#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 -0.67 -0.36 1.61 0.01 -1.26 -5.12 113.70 107.92 1q53 s SER 2 Ca 0.00 1.13 -0.03 0.00 1.31 0.00 0.00 55.95 58.36 1q53 s SER 2 Cb 0.00 1.24 0.18 0.00 0.21 0.00 0.00 66.02 67.65 1q53 s SER 2 CO 0.00 -0.18 0.89 -1.00 0.41 0.00 0.00 173.24 173.36 1q53 s HIS 3 N 1.13 -0.89 -0.42 2.43 0.09 -1.26 -5.10 115.29 111.27 1q53 s HIS 3 Ca -0.06 0.14 0.04 0.00 -0.00 0.00 0.00 55.06 55.18 1q53 s HIS 3 Cb -0.04 0.16 0.17 0.00 -0.00 0.00 0.00 32.58 32.87 1q53 s HIS 3 CO -0.13 -0.60 0.44 1.41 -0.00 0.00 0.00 174.74 175.86 1q53 s MET 4 N 1.94 0.85 0.30 1.40 -2.45 -1.26 -5.14 119.30 114.94 1q53 s MET 4 Ca 0.15 -1.45 0.07 0.00 -1.25 0.00 0.00 55.69 53.21 1q53 s MET 4 Cb 0.00 -0.87 -0.03 0.00 1.25 0.00 0.00 34.83 35.18 1q53 s MET 4 CO -0.12 -1.31 0.28 -2.00 1.05 0.00 0.00 175.02 172.92 1q53 s GLU 5 N 0.71 2.89 -0.33 4.11 2.12 -1.26 -5.09 118.70 121.85 1q53 s GLU 5 Ca 0.27 -1.14 -0.18 0.00 0.36 0.00 0.00 54.97 54.27 1q53 s GLU 5 Cb -0.04 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 1q53 s GLU 5 CO -0.10 0.23 0.52 -1.21 -0.54 0.00 0.00 175.26 174.16 1q53 s GLU 6 N -3.95 3.72 0.00 4.30 2.02 -1.26 -5.05 118.70 118.49 1q53 s GLU 6 Ca 0.38 -0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.36 1q53 s GLU 6 Cb -0.07 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.37 1q53 s GLU 6 CO 0.27 -0.59 -0.12 0.00 0.02 0.00 0.00 175.26 174.84 1q53 s ALA 7 N 2.40 0.98 -0.35 5.21 0.00 -1.26 -5.02 121.76 123.72 1q53 s ALA 7 Ca 0.20 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1q53 s ALA 7 Cb -0.15 -0.21 0.35 0.00 0.00 0.00 0.00 23.12 23.10 1q53 s ALA 7 CO 0.13 0.22 1.80 1.63 0.00 0.00 0.00 175.76 179.54 1q53 n LYS 8 N 2.54 1.92 0.00 0.00 5.02 -1.26 -4.74 118.16 121.64 1q53 n LYS 8 Ca -0.15 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 1q53 n LYS 8 Cb 0.56 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.26 -1.97 0.09 0.72 0.00 -1.26 -4.85 105.19 97.66 1q53 n GLY 9 Ca 0.38 0.74 -0.15 0.00 0.00 0.00 0.00 46.02 47.00 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 0.15 -5.61 1.61 0.13 -1.85 -3.47 132.00 122.96 1q53 h PRO 10 Ca 0.00 -0.14 -0.59 0.00 -0.87 0.00 0.00 66.00 64.40 1q53 h PRO 10 Cb 0.00 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 31.08 1q53 h PRO 10 CO 0.00 0.86 -0.27 0.08 -0.23 0.00 0.00 178.00 178.44 1q53 s VAL 11 N -3.27 5.26 -0.21 1.56 1.01 -1.26 -4.51 120.40 118.97 1q53 s VAL 11 Ca -0.16 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1q53 s VAL 11 Cb 0.01 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1q53 s VAL 11 CO 0.73 0.39 -0.12 -0.54 0.00 0.00 0.00 175.10 175.57 1q53 s LYS 12 N 0.34 2.99 -0.38 2.72 1.02 -1.06 -3.47 119.74 121.89 1q53 s LYS 12 Ca 0.20 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.11 1q53 s LYS 12 Cb -0.14 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1q53 s LYS 12 CO 0.06 -0.28 0.72 -1.58 -0.92 0.00 0.00 175.35 173.35 1q53 s HIS 13 N 1.33 3.11 -0.19 3.18 5.65 0.37 -1.17 115.29 127.57 1q53 s HIS 13 Ca 0.03 0.38 -0.07 0.00 0.25 0.00 0.00 55.06 55.65 1q53 s HIS 13 Cb -0.15 -3.33 -0.04 0.00 -1.18 0.00 0.00 32.58 27.88 1q53 s HIS 13 CO -0.08 -0.74 0.05 0.08 -0.65 0.00 0.00 174.74 173.40 1q53 s VAL 14 N 2.96 4.53 -0.06 0.89 1.01 0.52 0.16 120.40 130.41 1q53 s VAL 14 Ca 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1q53 s VAL 14 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1q53 s VAL 14 CO 0.17 0.43 -0.02 -1.48 0.00 0.00 0.00 175.10 174.21 1q53 s LEU 15 N 0.68 0.94 0.07 3.92 0.05 0.16 0.17 118.68 124.66 1q53 s LEU 15 Ca 0.02 -0.10 0.06 0.00 0.05 0.00 0.00 54.13 54.17 1q53 s LEU 15 Cb -0.13 -0.43 -0.04 0.00 -2.05 0.00 0.00 46.19 43.53 1q53 s LEU 15 CO 0.02 -0.13 -0.12 -1.48 -0.55 0.00 0.00 176.35 174.09 1q53 s LEU 16 N 1.47 2.95 -0.13 1.48 2.34 -0.91 0.15 118.68 126.04 1q53 s LEU 16 Ca -0.03 -0.36 -0.20 0.00 0.06 0.00 0.00 54.13 53.61 1q53 s LEU 16 Cb -0.13 -1.74 0.05 0.00 -0.56 0.00 0.00 46.19 43.81 1q53 s LEU 16 CO -0.03 0.22 0.51 0.00 -1.06 0.00 0.00 176.35 175.98 1q53 s ALA 17 N -1.10 -1.28 -0.12 1.48 0.00 -1.26 -1.19 121.76 118.30 1q53 s ALA 17 Ca 0.19 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 1q53 s ALA 17 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1q53 s ALA 17 CO 0.10 -0.27 0.01 -1.12 0.00 0.00 0.00 175.76 174.48 1q53 s SER 18 N -0.34 5.25 -0.35 0.00 0.01 -0.79 -4.29 113.70 113.19 1q53 s SER 18 Ca -0.05 0.09 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 1q53 s SER 18 Cb -0.03 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.58 1q53 s SER 18 CO 0.03 0.31 0.78 -0.36 0.41 0.00 0.00 173.24 174.41 1q53 s PHE 19 N -0.45 3.14 1.04 2.43 0.08 -1.26 0.19 117.98 123.15 1q53 s PHE 19 Ca 0.08 0.62 -0.17 0.00 0.12 0.00 0.00 56.93 57.58 1q53 s PHE 19 Cb -0.12 -3.35 0.03 0.00 -0.57 0.00 0.00 43.02 39.01 1q53 s PHE 19 CO 0.02 -0.69 -0.09 0.36 -0.10 0.00 0.00 175.22 174.72 1q53 n LYS 20 N 6.36 -0.86 -2.98 0.44 0.00 -1.25 -4.81 118.16 115.05 1q53 n LYS 20 Ca 0.03 -0.23 -0.44 0.00 -0.00 0.00 0.00 58.31 57.68 1q53 n LYS 20 Cb 0.48 -1.62 -0.05 0.00 -0.00 0.00 0.00 35.03 33.85 1q53 n LYS 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1q53 s ASP 21 N -1.74 6.21 0.00 -5.58 1.11 -1.26 -4.02 116.67 111.39 1q53 s ASP 21 Ca 0.53 -0.97 0.00 0.00 0.18 0.00 0.00 52.55 52.29 1q53 s ASP 21 Cb -0.13 -2.37 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1q53 s ASP 21 CO 0.68 -1.21 0.00 0.61 1.18 0.00 0.00 175.17 176.43 1q53 n GLY 22 N 5.25 0.37 3.74 0.21 0.00 -1.26 -5.13 105.19 108.36 1q53 n GLY 22 Ca -0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.24 0.81 1.61 0.11 -1.26 -5.03 120.40 120.88 1q53 s VAL 23 Ca 0.00 1.99 -0.11 0.00 -2.93 0.00 0.00 61.98 60.94 1q53 s VAL 23 Cb 0.00 -4.27 0.08 0.00 -1.53 0.00 0.00 36.38 30.66 1q53 s VAL 23 CO 0.00 0.37 1.10 -0.44 -3.33 0.00 0.00 175.10 172.80 1q53 s SER 24 N -0.41 4.15 0.14 3.54 0.01 -1.26 -4.95 113.70 114.92 1q53 s SER 24 Ca 0.45 1.82 -0.05 0.00 1.31 0.00 0.00 55.95 59.49 1q53 s SER 24 Cb -0.25 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.43 1q53 s SER 24 CO 0.32 -2.26 1.33 1.55 0.41 0.00 0.00 173.24 174.59 1q53 h PRO 25 N -1.28 0.46 0.00 12.44 0.13 -2.00 -2.84 132.00 138.90 1q53 h PRO 25 Ca -0.44 -0.45 -0.05 0.00 -0.87 0.00 0.00 66.00 64.19 1q53 h PRO 25 Cb 1.24 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1q53 h PRO 25 CO 0.51 1.09 -0.23 1.49 -0.23 0.00 0.00 178.00 180.63 1q53 h GLU 26 N 0.28 0.00 -0.00 0.86 4.81 -2.00 -1.56 114.58 116.96 1q53 h GLU 26 Ca -0.07 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1q53 h GLU 26 Cb 1.49 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 1q53 h GLU 26 CO 0.15 0.23 -0.82 -0.22 -0.73 0.00 0.00 179.01 177.62 1q53 h LYS 27 N 0.00 0.11 -0.65 1.92 3.64 -1.92 -2.57 116.57 117.10 1q53 h LYS 27 Ca -0.00 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1q53 h LYS 27 Cb 0.41 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1q53 h LYS 27 CO 0.03 0.87 0.17 0.97 -2.27 0.00 0.00 179.45 179.21 1q53 h ILE 28 N 0.07 1.25 -0.15 2.00 2.10 -1.05 -0.86 117.51 120.87 1q53 h ILE 28 Ca -0.03 -0.91 -0.04 0.00 1.08 0.00 0.00 64.86 64.97 1q53 h ILE 28 Cb 1.43 0.57 -0.00 0.00 -1.09 0.00 0.00 36.82 37.72 1q53 h ILE 28 CO 0.12 0.35 -0.06 -0.08 -1.08 0.00 0.00 178.15 177.39 1q53 h GLU 29 N 0.97 0.30 -0.43 2.19 4.81 -1.36 -1.05 114.58 120.02 1q53 h GLU 29 Ca 0.21 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1q53 h GLU 29 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1q53 h GLU 29 CO -0.00 0.62 0.29 0.93 -0.73 0.00 0.00 179.01 180.12 1q53 h GLU 30 N -0.03 0.38 -0.19 1.92 5.08 -1.23 1.35 114.58 121.86 1q53 h GLU 30 Ca 0.03 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 1q53 h GLU 30 Cb 0.53 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1q53 h GLU 30 CO 0.02 0.25 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.49 1q53 h LEU 31 N 0.39 0.95 -0.01 1.33 3.38 -0.95 -2.05 115.31 118.36 1q53 h LEU 31 Ca 0.18 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1q53 h LEU 31 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1q53 h LEU 31 CO -0.04 1.40 -0.02 0.40 0.09 0.00 0.00 178.44 180.27 1q53 h ILE 32 N 0.57 1.47 -0.97 1.22 2.04 0.21 -2.26 117.51 119.79 1q53 h ILE 32 Ca -0.04 -1.42 0.18 0.00 1.00 0.00 0.00 64.86 64.59 1q53 h ILE 32 Cb 1.35 2.41 -0.11 0.00 -0.74 0.00 0.00 36.82 39.73 1q53 h ILE 32 CO 0.15 0.37 0.56 0.07 0.00 0.00 0.00 178.15 179.30 1q53 h LYS 33 N -0.56 0.69 0.35 2.37 2.10 0.17 -1.21 116.57 120.48 1q53 h LYS 33 Ca -0.00 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1q53 h LYS 33 Cb 0.62 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1q53 h LYS 33 CO 0.00 0.46 -0.17 0.78 -2.00 0.00 0.00 179.45 178.52 1q53 h GLY 34 N 0.71 -0.48 -0.96 0.07 0.00 -1.31 -2.78 103.07 98.32 1q53 h GLY 34 Ca 0.56 0.18 0.34 0.00 0.00 0.00 0.00 47.33 48.41 1q53 h GLY 34 CO -0.39 -0.18 0.28 -1.82 0.00 0.00 0.00 176.54 174.43 1q53 h TYR 35 N -0.64 0.38 -0.39 5.60 3.20 -0.61 1.56 116.97 126.08 1q53 h TYR 35 Ca -0.05 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1q53 h TYR 35 Cb 0.46 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1q53 h TYR 35 CO -0.01 -0.44 0.14 0.00 -1.64 0.00 0.00 178.16 176.21 1q53 h ALA 36 N 1.98 0.51 -0.82 1.82 0.00 -1.29 -1.64 119.26 119.83 1q53 h ALA 36 Ca 0.72 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.49 1q53 h ALA 36 Cb 1.70 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1q53 h ALA 36 CO -0.84 0.14 0.53 -0.97 0.00 0.00 0.00 179.25 178.11 1q53 h ASN 37 N 0.49 0.90 -0.71 0.00 -1.24 0.23 -1.01 115.58 114.24 1q53 h ASN 37 Ca 0.13 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.17 1q53 h ASN 37 Cb 0.23 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 1q53 h ASN 37 CO -0.01 0.63 0.43 -0.07 -1.29 0.00 0.00 177.43 177.13 1q53 h LEU 38 N 1.06 0.68 -1.40 0.34 4.07 -0.07 0.23 115.31 120.23 1q53 h LEU 38 Ca 0.32 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.27 1q53 h LEU 38 Cb -0.04 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1q53 h LEU 38 CO -0.10 0.46 0.14 0.58 -1.08 0.00 0.00 178.44 178.44 1q53 h VAL 39 N 0.82 1.16 -0.24 1.22 2.07 -0.31 0.89 116.25 121.85 1q53 h VAL 39 Ca 0.30 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1q53 h VAL 39 Cb 0.09 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1q53 h VAL 39 CO -0.14 0.19 -0.51 -1.13 0.02 0.00 0.00 177.57 176.00 1q53 h ASN 40 N 0.54 0.75 0.22 0.57 -1.24 0.24 -3.32 115.58 113.34 1q53 h ASN 40 Ca 0.13 -0.39 -0.01 0.00 0.71 0.00 0.00 56.30 56.75 1q53 h ASN 40 Cb 0.14 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1q53 h ASN 40 CO -0.01 1.13 -0.10 -0.07 -1.29 0.00 0.00 177.43 177.08 1q53 h LEU 41 N 0.53 -0.25 -9.02 0.34 -0.00 0.45 -3.44 115.31 103.93 1q53 h LEU 41 Ca 0.02 0.01 -0.83 0.00 -0.00 0.00 0.00 57.88 57.08 1q53 h LEU 41 Cb 1.07 0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.80 1q53 h LEU 41 CO 0.10 0.07 0.78 -0.38 -0.00 0.00 0.00 178.44 179.02 1q53 n ILE 42 N -4.17 0.10 0.29 1.22 5.41 0.30 -4.83 119.36 117.68 1q53 n ILE 42 Ca -0.04 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.53 1q53 n ILE 42 Cb 0.11 -0.75 -0.08 0.00 -0.71 0.00 0.00 39.64 38.21 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 5.90 -0.66 -6.30 0.38 4.81 -1.86 -3.40 114.58 113.45 1q53 h GLU 43 Ca -0.44 0.04 -0.57 0.00 -0.13 0.00 0.00 59.36 58.27 1q53 h GLU 43 Cb 1.35 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.84 1q53 h GLU 43 CO 0.98 -0.43 0.97 -1.25 -0.73 0.00 0.00 179.01 178.55 1q53 s PRO 44 N -6.01 3.97 -0.36 0.92 0.04 -1.26 -4.92 135.00 127.38 1q53 s PRO 44 Ca -0.16 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1q53 s PRO 44 Cb 0.04 -3.87 0.18 0.00 0.04 0.00 0.00 34.50 30.89 1q53 s PRO 44 CO 0.62 -1.05 0.86 -1.64 0.04 0.00 0.00 177.00 175.83 1q53 s MET 45 N 4.08 0.45 0.05 4.56 -1.94 -1.26 -5.05 119.30 120.20 1q53 s MET 45 Ca 0.58 -0.12 -0.34 0.00 -1.71 0.00 0.00 55.69 54.10 1q53 s MET 45 Cb -0.19 0.06 -0.19 0.00 2.01 0.00 0.00 34.83 36.53 1q53 s MET 45 CO 0.22 -0.66 1.47 0.87 -0.01 0.00 0.00 175.02 176.91 1q53 h LYS 46 N 6.22 -1.06 -2.32 2.03 1.79 -1.92 -3.47 116.57 117.84 1q53 h LYS 46 Ca -0.00 0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1q53 h LYS 46 Cb 1.21 0.24 -0.17 0.00 -1.58 0.00 0.00 32.23 31.94 1q53 h LYS 46 CO 0.00 -0.70 0.32 0.00 -1.08 0.00 0.00 179.45 177.99 1q53 s ALA 47 N -5.74 -1.75 -0.08 3.86 0.00 -1.26 -5.05 121.76 111.74 1q53 s ALA 47 Ca -0.18 1.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 1q53 s ALA 47 Cb 0.02 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1q53 s ALA 47 CO 0.57 -0.56 0.16 0.12 0.00 0.00 0.00 175.76 176.04 1q53 s PHE 48 N -2.43 -0.17 0.17 0.00 2.19 -1.26 -1.18 117.98 115.30 1q53 s PHE 48 Ca -0.02 0.59 0.10 0.00 0.33 0.00 0.00 56.93 57.93 1q53 s PHE 48 Cb -0.01 -0.24 -0.04 0.00 -1.31 0.00 0.00 43.02 41.42 1q53 s PHE 48 CO -0.03 -0.26 -0.22 -1.01 1.83 0.00 0.00 175.22 175.54 1q53 s HIS 49 N 2.16 2.08 -0.05 10.12 3.76 0.44 -5.01 115.29 128.80 1q53 s HIS 49 Ca 0.02 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.41 1q53 s HIS 49 Cb -0.12 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1q53 s HIS 49 CO -0.06 0.41 0.27 1.67 -0.85 0.00 0.00 174.74 176.18 1q53 s TRP 50 N -1.74 -0.19 0.07 1.40 1.48 -1.26 0.18 118.94 118.88 1q53 s TRP 50 Ca 0.17 0.38 0.00 0.00 -1.06 0.00 0.00 56.10 55.59 1q53 s TRP 50 Cb -0.07 0.07 -0.04 0.00 -1.16 0.00 0.00 33.47 32.27 1q53 s TRP 50 CO 0.08 -0.29 -0.04 0.20 -4.06 0.00 0.00 176.95 172.84 1q53 s GLY 51 N -0.81 0.58 0.18 3.67 0.00 -0.75 -4.96 107.32 105.23 1q53 s GLY 51 Ca -0.09 -1.26 0.10 0.00 0.00 0.00 0.00 44.72 43.47 1q53 s GLY 51 CO 0.02 -1.37 -0.17 -1.59 0.00 0.00 0.00 173.10 170.00 1q53 s LYS 52 N -3.88 1.79 -0.11 2.90 0.00 -1.26 -0.53 119.74 118.65 1q53 s LYS 52 Ca 0.09 -1.39 -0.29 0.00 0.00 0.00 0.00 55.97 54.37 1q53 s LYS 52 Cb 0.07 -2.00 -0.05 0.00 0.00 0.00 0.00 37.83 35.84 1q53 s LYS 52 CO -0.08 0.42 1.84 0.16 0.00 0.00 0.00 175.35 177.69 1q53 s ASP 53 N -2.73 6.28 -0.30 0.03 -4.77 -1.02 -4.93 116.67 109.22 1q53 s ASP 53 Ca 0.23 2.10 -0.11 0.00 -3.30 0.00 0.00 52.55 51.46 1q53 s ASP 53 Cb -0.08 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1q53 s ASP 53 CO 0.12 -1.27 0.19 -0.69 0.70 0.00 0.00 175.17 174.22 1q53 s VAL 54 N 5.36 5.07 -0.82 2.11 1.01 -1.26 -5.01 120.40 126.86 1q53 s VAL 54 Ca 0.82 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1q53 s VAL 54 Cb -0.33 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1q53 s VAL 54 CO 0.34 0.13 0.00 -1.20 0.00 0.00 0.00 175.10 174.37 1q53 n SER 55 N 5.05 0.00 -1.38 3.32 7.64 -1.26 -4.98 113.62 122.01 1q53 n SER 55 Ca -0.14 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.84 1q53 n SER 55 Cb 0.51 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 64.02 1q53 n SER 55 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1q53 n ILE 56 N 0.62 1.36 -2.10 0.44 -6.64 -1.26 -4.91 119.36 106.88 1q53 n ILE 56 Ca 0.00 -0.99 -0.02 0.00 -1.77 0.00 0.00 62.75 59.96 1q53 n ILE 56 Cb 0.00 0.22 0.01 0.00 -1.44 0.00 0.00 39.64 38.43 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 1q53 n GLU 57 N 1.17 -0.76 -3.65 6.28 2.13 -1.26 -5.07 120.64 119.47 1q53 n GLU 57 Ca 0.23 0.11 -0.12 0.00 0.66 0.00 0.00 57.16 58.04 1q53 n GLU 57 Cb 0.72 -2.78 -0.08 0.00 0.27 0.00 0.00 31.44 29.57 1q53 n GLU 57 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1q53 s ASN 58 N -3.15 -0.71 0.00 4.31 3.84 -1.26 -4.91 114.94 113.06 1q53 s ASN 58 Ca 0.01 1.32 0.00 0.00 0.21 0.00 0.00 52.86 54.40 1q53 s ASN 58 Cb -0.00 1.30 0.00 0.00 -0.55 0.00 0.00 41.25 42.00 1q53 s ASN 58 CO 0.10 -0.23 0.00 -0.11 -2.79 0.00 0.00 177.10 174.07 1q53 n LEU 59 N 3.07 0.00 -4.16 3.21 0.00 -1.26 -4.99 117.00 112.87 1q53 n LEU 59 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.46 1q53 n LEU 59 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.98 1q53 n LEU 59 CO 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 177.39 176.97 1q53 n HIS 60 N 0.00 -2.20 0.62 1.96 1.44 -1.26 -4.86 115.22 110.92 1q53 n HIS 60 Ca 0.00 0.57 0.11 0.00 -2.01 0.00 0.00 57.72 56.40 1q53 n HIS 60 Cb 0.00 -1.71 0.04 0.00 0.12 0.00 0.00 29.99 28.44 1q53 n HIS 60 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1q53 n GLN 61 N 1.33 0.26 0.00 -1.40 3.00 -1.26 -4.92 117.38 114.38 1q53 n GLN 61 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1q53 n GLN 61 Cb 0.40 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.06 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 1.38 1.95 0.34 1.08 0.00 -1.26 -5.03 105.19 103.66 1q53 n GLY 62 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 1.21 0.00 1.61 -1.99 -1.93 -3.41 116.97 112.46 1q53 h TYR 63 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1q53 h TYR 63 Cb 0.00 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.36 1q53 h TYR 63 CO 0.00 0.88 0.00 0.25 -0.00 0.00 0.00 178.16 179.29 1q53 n THR 64 N -4.32 0.00 -3.81 -2.88 -2.24 -1.26 -4.21 114.28 95.57 1q53 n THR 64 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1q53 n THR 64 Cb 0.14 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.13 0.03 4.78 3.76 -1.26 -2.43 115.29 120.30 1q53 s HIS 65 Ca 0.00 -0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 54.03 1q53 s HIS 65 Cb 0.00 0.84 -0.00 0.00 1.11 0.00 0.00 32.58 34.53 1q53 s HIS 65 CO 0.00 -1.56 0.13 0.42 -0.85 0.00 0.00 174.74 172.88 1q53 s ILE 66 N -2.24 0.11 -0.15 0.60 1.01 0.31 -4.05 121.20 116.80 1q53 s ILE 66 Ca 0.16 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1q53 s ILE 66 Cb -0.05 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.69 1q53 s ILE 66 CO 0.11 -0.51 -0.05 -0.36 0.00 0.00 0.00 174.94 174.13 1q53 s PHE 67 N -2.24 1.56 -0.31 3.97 0.40 0.12 -1.82 117.98 119.67 1q53 s PHE 67 Ca -0.08 -0.94 -0.09 0.00 -0.60 0.00 0.00 56.93 55.22 1q53 s PHE 67 Cb -0.03 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1q53 s PHE 67 CO -0.03 -0.57 0.14 -1.21 0.70 0.00 0.00 175.22 174.25 1q53 s GLU 68 N 1.68 3.35 -0.09 0.44 2.02 0.49 0.38 118.70 126.97 1q53 s GLU 68 Ca 0.02 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1q53 s GLU 68 Cb -0.14 -3.54 -0.00 0.00 0.10 0.00 0.00 34.13 30.55 1q53 s GLU 68 CO -0.08 -0.40 -0.24 0.45 0.02 0.00 0.00 175.26 175.01 1q53 s SER 69 N 1.61 3.06 -0.10 -0.19 0.15 0.43 0.16 113.70 118.83 1q53 s SER 69 Ca 0.05 -0.55 -0.14 0.00 0.70 0.00 0.00 55.95 56.01 1q53 s SER 69 Cb -0.17 -1.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.80 1q53 s SER 69 CO 0.06 0.17 0.35 -0.89 1.20 0.00 0.00 173.24 174.13 1q53 s THR 70 N 0.25 5.22 0.10 6.45 2.01 -0.33 0.14 115.64 129.48 1q53 s THR 70 Ca -0.16 0.68 0.05 0.00 0.31 0.00 0.00 61.69 62.57 1q53 s THR 70 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1q53 s THR 70 CO 0.08 0.46 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.98 1q53 s PHE 71 N -0.12 1.24 0.05 4.92 0.08 -1.23 -4.26 117.98 118.66 1q53 s PHE 71 Ca 0.20 -0.57 -0.32 0.00 0.12 0.00 0.00 56.93 56.37 1q53 s PHE 71 Cb -0.14 -0.67 -0.18 0.00 -0.57 0.00 0.00 43.02 41.46 1q53 s PHE 71 CO 0.08 0.08 1.47 1.49 -0.10 0.00 0.00 175.22 178.23 1q53 h GLU 72 N 3.70 -0.91 -2.69 0.44 4.81 -1.94 -3.40 114.58 114.58 1q53 h GLU 72 Ca -0.39 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1q53 h GLU 72 Cb 1.19 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.67 1q53 h GLU 72 CO 0.49 -0.58 0.34 -1.12 -0.73 0.00 0.00 179.01 177.41 1q53 s SER 73 N -4.42 -0.40 0.57 1.04 0.01 -1.26 -4.87 113.70 104.36 1q53 s SER 73 Ca -0.17 -0.16 0.41 0.00 1.31 0.00 0.00 55.95 57.34 1q53 s SER 73 Cb 0.03 0.54 1.51 0.00 0.21 0.00 0.00 66.02 68.31 1q53 s SER 73 CO 0.57 -0.92 1.60 0.07 0.41 0.00 0.00 173.24 174.97 1q53 h LYS 74 N 2.00 0.00 -0.23 12.44 -0.00 -1.99 1.51 116.57 130.30 1q53 h LYS 74 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.37 1q53 h LYS 74 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.49 1q53 h LYS 74 CO 0.32 0.00 0.07 0.93 -0.00 0.00 0.00 179.45 180.77 1q53 h GLU 75 N 0.00 0.35 -0.20 0.07 5.08 -2.01 -2.69 114.58 115.19 1q53 h GLU 75 Ca 0.71 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.87 1q53 h GLU 75 Cb 3.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 32.24 1q53 h GLU 75 CO -0.01 0.43 -0.39 0.00 -1.00 0.00 0.00 179.01 178.05 1q53 h ALA 76 N 0.90 0.96 -0.83 3.43 0.00 0.17 -2.48 119.26 121.42 1q53 h ALA 76 Ca 0.07 -0.42 0.22 0.00 0.00 0.00 0.00 54.91 54.79 1q53 h ALA 76 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1q53 h ALA 76 CO -0.00 0.62 0.58 0.28 0.00 0.00 0.00 179.25 180.73 1q53 h VAL 77 N 0.38 0.62 -0.05 0.00 2.07 -0.79 0.43 116.25 118.91 1q53 h VAL 77 Ca 0.04 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1q53 h VAL 77 Cb 0.85 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1q53 h VAL 77 CO 0.07 0.02 -0.57 0.00 0.02 0.00 0.00 177.57 177.11 1q53 h ALA 78 N 1.60 0.13 -0.57 1.67 0.00 -1.23 -2.57 119.26 118.30 1q53 h ALA 78 Ca 0.40 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1q53 h ALA 78 Cb 1.44 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1q53 h ALA 78 CO -0.05 0.38 0.33 0.93 0.00 0.00 0.00 179.25 180.84 1q53 h GLU 79 N 0.02 0.79 -0.88 0.00 5.08 -0.32 0.45 114.58 119.71 1q53 h GLU 79 Ca -0.06 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1q53 h GLU 79 Cb 1.25 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1q53 h GLU 79 CO 0.12 0.59 0.57 1.88 -1.00 0.00 0.00 179.01 181.17 1q53 h TYR 80 N 0.77 1.12 -0.19 4.33 0.05 -0.40 0.66 116.97 123.31 1q53 h TYR 80 Ca 0.20 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.87 1q53 h TYR 80 Cb 0.02 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.38 1q53 h TYR 80 CO -0.02 0.72 -0.39 0.82 -1.05 0.00 0.00 178.16 178.24 1q53 h ILE 81 N 1.20 1.33 -0.87 -2.88 2.04 -1.01 -3.08 117.51 114.24 1q53 h ILE 81 Ca 0.32 -1.63 0.08 0.00 1.00 0.00 0.00 64.86 64.63 1q53 h ILE 81 Cb -0.12 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 1q53 h ILE 81 CO -0.07 0.50 0.52 0.00 0.00 0.00 0.00 178.15 179.11 1q53 h ALA 82 N 0.59 1.23 -1.47 1.87 0.00 0.32 -3.39 119.26 118.41 1q53 h ALA 82 Ca 0.00 0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.24 1q53 h ALA 82 Cb 0.99 -0.19 0.08 0.00 0.00 0.00 0.00 17.79 18.67 1q53 h ALA 82 CO 0.09 0.20 0.10 1.58 0.00 0.00 0.00 179.25 181.22 1q53 n HIS 83 N -4.67 0.88 0.04 0.00 -0.00 0.18 -4.84 115.22 106.81 1q53 n HIS 83 Ca 0.14 0.81 -0.16 0.00 -0.00 0.00 0.00 57.72 58.51 1q53 n HIS 83 Cb 0.24 -2.19 -0.06 0.00 -0.00 0.00 0.00 29.99 27.99 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 2.95 0.60 -0.88 1.57 0.13 -1.88 -1.31 132.00 133.18 1q53 h PRO 84 Ca -0.43 -0.58 0.07 0.00 -0.87 0.00 0.00 66.00 64.20 1q53 h PRO 84 Cb 1.38 0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.59 1q53 h PRO 84 CO 0.67 1.19 0.54 0.00 -0.23 0.00 0.00 178.00 180.17 1q53 h ALA 85 N 0.62 1.22 -0.07 -0.56 0.00 -1.93 0.75 119.26 119.28 1q53 h ALA 85 Ca -0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1q53 h ALA 85 Cb 1.54 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1q53 h ALA 85 CO 0.17 0.26 -0.53 1.25 0.00 0.00 0.00 179.25 180.40 1q53 h HIS 86 N 0.96 0.67 -0.16 0.00 -0.00 -1.81 -2.71 115.15 112.10 1q53 h HIS 86 Ca 0.39 -0.31 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 1q53 h HIS 86 Cb 0.22 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 1q53 h HIS 86 CO -0.03 1.10 -0.04 0.28 -0.00 0.00 0.00 177.93 179.24 1q53 h VAL 87 N 0.04 0.84 -0.60 5.26 2.07 -0.44 0.95 116.25 124.37 1q53 h VAL 87 Ca -0.05 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1q53 h VAL 87 Cb 1.19 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1q53 h VAL 87 CO 0.11 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.83 1q53 h GLU 88 N 0.00 0.38 0.13 1.57 4.57 0.44 0.88 114.58 122.55 1q53 h GLU 88 Ca 0.08 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1q53 h GLU 88 Cb 0.12 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1q53 h GLU 88 CO -0.16 0.25 -0.06 0.35 -1.18 0.00 0.00 179.01 178.21 1q53 h PHE 89 N 0.39 -0.16 -0.72 0.92 3.04 -1.02 -0.81 116.94 118.58 1q53 h PHE 89 Ca 0.30 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.34 1q53 h PHE 89 Cb 0.38 0.05 -0.07 0.00 2.56 0.00 0.00 35.95 38.87 1q53 h PHE 89 CO -0.17 0.22 0.38 0.00 -2.02 0.00 0.00 178.31 176.72 1q53 h ALA 90 N 0.22 1.00 -0.45 2.41 0.00 0.13 0.58 119.26 123.15 1q53 h ALA 90 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1q53 h ALA 90 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1q53 h ALA 90 CO 0.03 -0.01 0.26 1.15 0.00 0.00 0.00 179.25 180.68 1q53 h THR 91 N 0.65 1.16 -0.28 0.00 2.02 0.83 0.77 112.91 118.06 1q53 h THR 91 Ca 0.35 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1q53 h THR 91 Cb 0.34 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1q53 h THR 91 CO -0.25 0.16 -0.13 0.40 0.37 0.00 0.00 175.52 176.07 1q53 h ILE 92 N 0.60 1.23 -0.09 3.11 2.04 0.15 -1.82 117.51 122.72 1q53 h ILE 92 Ca 0.16 -1.01 -0.22 0.00 1.00 0.00 0.00 64.86 64.79 1q53 h ILE 92 Cb 0.04 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1q53 h ILE 92 CO -0.03 0.33 -0.83 -0.26 0.00 0.00 0.00 178.15 177.36 1q53 h PHE 93 N 0.44 0.89 -0.31 1.37 -1.00 0.85 0.10 116.94 119.28 1q53 h PHE 93 Ca 0.08 -0.42 -0.03 0.00 2.81 0.00 0.00 57.97 60.41 1q53 h PHE 93 Cb 0.49 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1q53 h PHE 93 CO 0.02 1.23 0.06 -0.07 -1.61 0.00 0.00 178.31 177.93 1q53 h LEU 94 N 0.42 0.42 0.12 1.54 3.38 0.89 0.74 115.31 122.82 1q53 h LEU 94 Ca -0.06 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 1q53 h LEU 94 Cb 1.45 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.10 1q53 h LEU 94 CO 0.16 0.44 -0.92 1.23 0.09 0.00 0.00 178.44 179.44 1q53 h GLY 95 N 0.70 0.29 1.73 0.83 0.00 -1.25 -3.32 103.07 102.05 1q53 h GLY 95 Ca 0.11 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1q53 h GLY 95 CO -0.00 0.66 -0.17 1.48 0.00 0.00 0.00 176.54 178.51 1q53 h SER 96 N -0.42 0.32 -2.89 0.19 4.64 -0.56 -3.42 113.55 111.40 1q53 h SER 96 Ca -0.18 -0.08 -0.63 0.00 -0.47 0.00 0.00 61.79 60.43 1q53 h SER 96 Cb 1.62 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.57 1q53 h SER 96 CO 0.11 0.51 -0.34 -0.76 -0.87 0.00 0.00 176.83 175.48 1q53 s LEU 97 N -8.72 4.40 0.00 5.97 1.43 0.26 -3.83 118.68 118.18 1q53 s LEU 97 Ca -0.06 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 1q53 s LEU 97 Cb 0.15 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 1q53 s LEU 97 CO 0.75 0.30 0.84 -0.78 0.23 0.00 0.00 176.35 177.70 1q53 h ASP 98 N 4.39 -0.34 -2.70 2.29 3.58 0.18 -3.43 116.42 120.38 1q53 h ASP 98 Ca -0.52 0.01 -0.60 0.00 0.42 0.00 0.00 57.03 56.35 1q53 h ASP 98 Cb 1.21 0.09 -0.16 0.00 1.72 0.00 0.00 39.33 42.19 1q53 h ASP 98 CO 0.63 -0.17 -0.78 -1.59 -2.88 0.00 0.00 179.24 174.45 1q53 s LYS 99 N -3.31 1.56 -0.17 0.28 -2.85 -1.23 -4.98 119.74 109.04 1q53 s LYS 99 Ca -0.06 -1.65 -0.13 0.00 -1.00 0.00 0.00 55.97 53.13 1q53 s LYS 99 Cb 0.01 -1.69 0.05 0.00 -2.06 0.00 0.00 37.83 34.14 1q53 s LYS 99 CO 0.18 0.33 0.44 0.54 0.10 0.00 0.00 175.35 176.94 1q53 s VAL 100 N -2.28 -0.01 -0.03 1.79 0.11 -1.26 -1.88 120.40 116.84 1q53 s VAL 100 Ca 0.25 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1q53 s VAL 100 Cb -0.05 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1q53 s VAL 100 CO 0.12 0.01 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.58 1q53 s LEU 101 N 0.72 1.85 -0.26 2.54 1.98 -0.33 -5.01 118.68 120.17 1q53 s LEU 101 Ca -0.04 -0.21 -0.11 0.00 -2.89 0.00 0.00 54.13 50.87 1q53 s LEU 101 Cb -0.05 -0.62 -0.05 0.00 0.66 0.00 0.00 46.19 46.13 1q53 s LEU 101 CO -0.05 0.09 0.21 0.68 -1.89 0.00 0.00 176.35 175.39 1q53 s VAL 102 N 0.08 5.31 0.06 1.68 -7.23 -1.26 -2.14 120.40 116.90 1q53 s VAL 102 Ca -0.02 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.45 1q53 s VAL 102 Cb -0.08 -3.55 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1q53 s VAL 102 CO 0.01 0.28 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.30 1q53 s ILE 103 N 1.47 1.20 -0.05 -0.62 -1.09 0.44 -5.00 121.20 117.54 1q53 s ILE 103 Ca 0.09 -1.22 0.03 0.00 -2.23 0.00 0.00 60.65 57.32 1q53 s ILE 103 Cb -0.15 -1.12 0.00 0.00 -1.58 0.00 0.00 42.46 39.62 1q53 s ILE 103 CO 0.08 -0.11 -0.14 -1.81 -1.23 0.00 0.00 174.94 171.73 1q53 s ASP 104 N -1.52 1.94 -0.07 3.58 1.01 -1.26 0.19 116.67 120.53 1q53 s ASP 104 Ca 0.01 -0.32 0.04 0.00 0.71 0.00 0.00 52.55 52.98 1q53 s ASP 104 Cb -0.09 -0.71 -0.01 0.00 1.01 0.00 0.00 42.92 43.11 1q53 s ASP 104 CO 0.02 0.09 -0.20 -0.47 0.21 0.00 0.00 175.17 174.83 1q53 s TYR 105 N 0.34 2.59 -0.05 4.23 6.14 -0.31 -4.94 117.35 125.36 1q53 s TYR 105 Ca -0.09 -0.59 0.04 0.00 0.64 0.00 0.00 57.07 57.06 1q53 s TYR 105 Cb -0.13 -1.67 -0.00 0.00 0.42 0.00 0.00 41.96 40.58 1q53 s TYR 105 CO 0.03 -0.13 -0.16 0.21 0.64 0.00 0.00 175.55 176.13 1q53 s LYS 106 N -0.15 1.78 -0.81 4.97 2.47 -1.26 -2.58 119.74 124.16 1q53 s LYS 106 Ca -0.03 -0.58 -0.25 0.00 -1.56 0.00 0.00 55.97 53.55 1q53 s LYS 106 Cb -0.14 -1.53 0.00 0.00 -1.46 0.00 0.00 37.83 34.71 1q53 s LYS 106 CO 0.04 0.21 1.62 -1.25 0.16 0.00 0.00 175.35 176.13 1q53 s PRO 107 N 0.12 2.99 -0.42 4.03 0.04 -1.26 -4.84 135.00 135.66 1q53 s PRO 107 Ca -0.05 -0.24 0.07 0.00 0.04 0.00 0.00 61.00 60.82 1q53 s PRO 107 Cb -0.12 -4.71 0.24 0.00 0.04 0.00 0.00 34.50 29.95 1q53 s PRO 107 CO 0.02 -2.59 0.51 2.41 0.04 0.00 0.00 177.00 177.39 1q53 n THR 108 N 7.05 -0.46 -1.93 1.26 -1.04 -1.26 -5.12 114.28 112.78 1q53 n THR 108 Ca 0.23 -4.04 -0.31 0.00 -2.04 0.00 0.00 64.05 57.89 1q53 n THR 108 Cb 0.50 -1.93 0.01 0.00 -1.82 0.00 0.00 70.33 67.09 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 -1.10 6.27 0.05 8.00 1.04 -1.26 -5.05 113.70 121.64 1q53 s SER 109 Ca 0.35 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.08 1q53 s SER 109 Cb 0.14 -2.47 -0.06 0.00 0.10 0.00 0.00 66.02 63.73 1q53 s SER 109 CO -0.12 -0.84 0.42 -0.69 0.98 0.00 0.00 173.24 173.00 1q53 s VAL 110 N -3.12 5.03 0.02 5.02 1.01 -1.26 -5.04 120.40 122.07 1q53 s VAL 110 Ca 0.55 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1q53 s VAL 110 Cb -0.11 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1q53 s VAL 110 CO 0.52 0.43 1.26 -0.94 0.00 0.00 0.00 175.10 176.37 1q53 s SER 111 N -1.41 6.99 0.00 3.32 1.04 -1.26 -5.35 113.70 117.04 1q53 s SER 111 Ca 0.29 2.02 0.27 0.00 0.48 0.00 0.00 55.95 59.01 1q53 s SER 111 Cb -0.15 -2.57 1.60 0.00 0.10 0.00 0.00 66.02 64.99 1q53 s SER 111 CO 0.16 -0.57 1.95 0.18 0.98 0.00 0.00 173.24 175.93