#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 -0.30 -3.60 1.61 7.64 -1.26 -5.15 113.62 112.56 1q53 n SER 2 Ca 0.00 0.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.87 1q53 n SER 2 Cb 0.00 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 1q53 n SER 2 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1q53 s HIS 3 N -1.16 -0.54 0.28 1.43 -0.00 -1.26 -5.18 115.29 108.86 1q53 s HIS 3 Ca 0.00 1.19 0.08 0.00 -0.00 0.00 0.00 55.06 56.33 1q53 s HIS 3 Cb 0.00 0.37 -0.04 0.00 -0.00 0.00 0.00 32.58 32.91 1q53 s HIS 3 CO 0.00 -0.34 0.16 -1.64 -0.00 0.00 0.00 174.74 172.92 1q53 s MET 4 N -0.27 2.67 -0.41 -0.38 1.00 -1.26 -5.05 119.30 115.60 1q53 s MET 4 Ca -0.01 -1.25 -0.28 0.00 0.00 0.00 0.00 55.69 54.15 1q53 s MET 4 Cb -0.03 -2.40 -0.01 0.00 0.00 0.00 0.00 34.83 32.38 1q53 s MET 4 CO -0.00 0.30 1.70 -1.83 0.00 0.00 0.00 175.02 175.19 1q53 s GLU 5 N -3.83 3.27 -0.31 2.03 1.03 -1.26 -4.96 118.70 114.67 1q53 s GLU 5 Ca 0.35 1.14 -0.08 0.00 0.03 0.00 0.00 54.97 56.40 1q53 s GLU 5 Cb -0.06 -4.19 0.00 0.00 -0.80 0.00 0.00 34.13 29.08 1q53 s GLU 5 CO 0.24 -1.94 0.12 -1.21 -1.33 0.00 0.00 175.26 171.14 1q53 s GLU 6 N 5.72 3.19 -1.34 -4.83 2.02 -1.26 -4.99 118.70 117.21 1q53 s GLU 6 Ca 0.72 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.84 1q53 s GLU 6 Cb -0.18 -3.49 0.11 0.00 0.10 0.00 0.00 34.13 30.67 1q53 s GLU 6 CO 0.31 -0.45 2.38 0.00 0.02 0.00 0.00 175.26 177.52 1q53 n ALA 7 N 4.93 6.74 -2.58 5.21 0.00 -1.26 -4.60 120.51 128.95 1q53 n ALA 7 Ca -0.14 -4.07 -0.27 0.00 0.00 0.00 0.00 53.44 48.96 1q53 n ALA 7 Cb 0.48 -2.82 -0.01 0.00 0.00 0.00 0.00 19.45 17.10 1q53 n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q53 n LYS 8 N 2.00 3.36 0.00 0.00 4.76 -1.26 -5.06 118.16 121.96 1q53 n LYS 8 Ca 0.62 -4.57 0.00 0.00 -2.87 0.00 0.00 58.31 51.48 1q53 n LYS 8 Cb 0.25 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.21 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q53 n GLY 9 N -0.42 -0.52 3.82 0.72 0.00 -1.26 -4.69 105.19 102.82 1q53 n GLY 9 Ca 0.37 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.74 2.73 -0.02 1.61 0.04 -1.26 -5.08 135.00 132.28 1q53 s PRO 10 Ca 0.00 0.88 0.02 0.00 0.04 0.00 0.00 61.00 61.94 1q53 s PRO 10 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1q53 s PRO 10 CO 0.00 -1.23 -0.05 0.08 0.04 0.00 0.00 177.00 175.84 1q53 s VAL 11 N -3.07 0.45 -0.04 -0.36 1.01 -1.24 -4.62 120.40 112.53 1q53 s VAL 11 Ca 0.59 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1q53 s VAL 11 Cb -0.14 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1q53 s VAL 11 CO 0.55 0.15 -0.09 -0.54 0.00 0.00 0.00 175.10 175.17 1q53 s LYS 12 N 0.21 1.21 -0.11 2.72 3.01 -1.07 -2.98 119.74 122.73 1q53 s LYS 12 Ca -0.02 -0.30 -0.05 0.00 -1.01 0.00 0.00 55.97 54.59 1q53 s LYS 12 Cb -0.06 -1.08 -0.04 0.00 -1.01 0.00 0.00 37.83 35.64 1q53 s LYS 12 CO -0.00 0.04 0.08 -1.58 0.51 0.00 0.00 175.35 174.40 1q53 s HIS 13 N 0.53 3.42 -0.28 3.18 2.46 -1.03 0.04 115.29 123.62 1q53 s HIS 13 Ca -0.09 0.39 -0.06 0.00 0.47 0.00 0.00 55.06 55.77 1q53 s HIS 13 Cb -0.13 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 1q53 s HIS 13 CO 0.02 0.63 0.06 0.08 -2.47 0.00 0.00 174.74 173.05 1q53 s VAL 14 N -0.97 3.91 -0.08 0.89 1.01 0.55 -3.41 120.40 122.30 1q53 s VAL 14 Ca 0.14 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1q53 s VAL 14 Cb -0.12 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1q53 s VAL 14 CO 0.03 0.17 -0.10 -0.22 0.00 0.00 0.00 175.10 174.98 1q53 s LEU 15 N 1.51 1.49 -0.01 3.92 1.98 -0.74 0.51 118.68 127.34 1q53 s LEU 15 Ca 0.04 -0.29 0.07 0.00 -2.89 0.00 0.00 54.13 51.06 1q53 s LEU 15 Cb -0.16 -0.80 -0.02 0.00 0.66 0.00 0.00 46.19 45.87 1q53 s LEU 15 CO 0.02 -0.02 -0.23 -1.48 -1.89 0.00 0.00 176.35 172.75 1q53 s LEU 16 N 0.98 2.06 -0.12 -0.68 2.34 -1.10 0.21 118.68 122.37 1q53 s LEU 16 Ca -0.09 -0.42 -0.14 0.00 0.06 0.00 0.00 54.13 53.54 1q53 s LEU 16 Cb -0.15 -1.17 0.04 0.00 -0.56 0.00 0.00 46.19 44.35 1q53 s LEU 16 CO 0.00 0.27 0.38 0.00 -1.06 0.00 0.00 176.35 175.94 1q53 s ALA 17 N -0.56 -0.94 -0.03 1.48 0.00 -1.24 -1.79 121.76 118.67 1q53 s ALA 17 Ca 0.09 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.06 1q53 s ALA 17 Cb -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1q53 s ALA 17 CO -0.01 -0.20 -0.24 -1.12 0.00 0.00 0.00 175.76 174.19 1q53 s SER 18 N -0.15 3.23 -0.35 0.00 0.01 -0.46 -4.35 113.70 111.63 1q53 s SER 18 Ca -0.03 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.60 1q53 s SER 18 Cb -0.03 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1q53 s SER 18 CO 0.02 0.32 0.65 -0.36 0.41 0.00 0.00 173.24 174.28 1q53 s PHE 19 N -0.61 3.16 0.95 2.43 0.40 -1.26 0.53 117.98 123.58 1q53 s PHE 19 Ca 0.10 0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 56.72 1q53 s PHE 19 Cb -0.10 -3.15 0.03 0.00 0.51 0.00 0.00 43.02 40.31 1q53 s PHE 19 CO -0.01 -0.61 0.38 0.36 0.70 0.00 0.00 175.22 176.04 1q53 n LYS 20 N 6.06 -0.29 -2.68 0.44 2.85 -1.26 -4.79 118.16 118.49 1q53 n LYS 20 Ca -0.01 -0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.78 1q53 n LYS 20 Cb 0.49 -1.84 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 1q53 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1q53 s ASP 21 N -2.00 6.68 0.00 -5.58 1.11 -1.26 -3.68 116.67 111.95 1q53 s ASP 21 Ca 0.56 0.56 0.00 0.00 0.18 0.00 0.00 52.55 53.85 1q53 s ASP 21 Cb -0.21 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1q53 s ASP 21 CO 0.68 -1.07 0.00 0.61 1.18 0.00 0.00 175.17 176.57 1q53 n GLY 22 N 4.57 0.55 3.76 0.21 0.00 -1.26 -5.13 105.19 107.88 1q53 n GLY 22 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 4.48 0.77 1.61 0.11 -1.24 -5.04 120.40 121.08 1q53 s VAL 23 Ca 0.00 1.77 -0.11 0.00 -2.93 0.00 0.00 61.98 60.71 1q53 s VAL 23 Cb 0.00 -4.18 0.06 0.00 -1.53 0.00 0.00 36.38 30.73 1q53 s VAL 23 CO 0.00 0.44 1.10 -0.44 -3.33 0.00 0.00 175.10 172.87 1q53 s SER 24 N -0.62 4.42 0.15 3.54 0.01 -1.26 -4.96 113.70 114.98 1q53 s SER 24 Ca 0.39 1.91 -0.02 0.00 1.31 0.00 0.00 55.95 59.54 1q53 s SER 24 Cb -0.23 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 1q53 s SER 24 CO 0.26 -2.10 1.37 1.55 0.41 0.00 0.00 173.24 174.73 1q53 h PRO 25 N -0.98 0.37 -0.25 12.44 0.13 -2.01 -3.06 132.00 138.63 1q53 h PRO 25 Ca -0.44 -0.36 0.07 0.00 -0.87 0.00 0.00 66.00 64.40 1q53 h PRO 25 Cb 1.24 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1q53 h PRO 25 CO 0.51 1.03 0.23 0.93 -0.23 0.00 0.00 178.00 180.47 1q53 h GLU 26 N 0.22 0.00 0.00 0.86 5.08 -2.00 0.40 114.58 119.14 1q53 h GLU 26 Ca -0.05 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 1q53 h GLU 26 Cb 1.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1q53 h GLU 26 CO 0.14 0.00 -0.84 -0.22 -1.00 0.00 0.00 179.01 177.10 1q53 h LYS 27 N 0.00 0.09 0.10 2.33 3.64 -1.92 -2.71 116.57 118.10 1q53 h LYS 27 Ca 0.12 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1q53 h LYS 27 Cb 0.59 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1q53 h LYS 27 CO -0.00 0.87 -0.05 0.82 -2.27 0.00 0.00 179.45 178.82 1q53 h ILE 28 N 0.05 0.99 -0.15 2.00 2.04 -0.26 0.20 117.51 122.38 1q53 h ILE 28 Ca -0.02 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1q53 h ILE 28 Cb 1.46 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1q53 h ILE 28 CO 0.12 0.08 0.05 1.05 0.00 0.00 0.00 178.15 179.45 1q53 h GLU 29 N -0.27 0.21 -0.14 2.37 4.11 -1.47 -1.17 114.58 118.22 1q53 h GLU 29 Ca -0.01 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 1q53 h GLU 29 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1q53 h GLU 29 CO 0.02 0.19 -0.68 0.93 0.07 0.00 0.00 179.01 179.54 1q53 h GLU 30 N 0.21 0.55 -0.27 1.06 4.39 -1.09 0.11 114.58 119.54 1q53 h GLU 30 Ca 0.05 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.26 1q53 h GLU 30 Cb 0.06 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1q53 h GLU 30 CO -0.00 1.04 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.63 1q53 h LEU 31 N 0.40 0.48 0.07 1.33 -0.00 0.51 0.53 115.31 118.62 1q53 h LEU 31 Ca -0.02 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1q53 h LEU 31 Cb 1.25 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1q53 h LEU 31 CO 0.13 0.68 -0.03 0.40 -0.00 0.00 0.00 178.44 179.61 1q53 h ILE 32 N 0.44 1.09 -0.47 1.22 2.04 -1.12 -2.31 117.51 118.41 1q53 h ILE 32 Ca 0.07 -1.53 0.05 0.00 1.00 0.00 0.00 64.86 64.45 1q53 h ILE 32 Cb 0.57 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1q53 h ILE 32 CO 0.04 0.33 0.31 0.07 0.00 0.00 0.00 178.15 178.90 1q53 h LYS 33 N -0.90 0.44 0.27 2.37 2.10 -0.72 -2.33 116.57 117.80 1q53 h LYS 33 Ca -0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1q53 h LYS 33 Cb 0.60 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1q53 h LYS 33 CO 0.01 0.29 -0.13 0.78 -2.00 0.00 0.00 179.45 178.41 1q53 h GLY 34 N 0.45 -0.38 -0.02 0.07 0.00 0.03 -2.58 103.07 100.65 1q53 h GLY 34 Ca 0.20 0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.84 1q53 h GLY 34 CO -0.05 -0.14 0.84 -1.82 0.00 0.00 0.00 176.54 175.37 1q53 h TYR 35 N -0.60 0.00 -0.35 5.60 5.03 -0.84 1.64 116.97 127.44 1q53 h TYR 35 Ca -0.04 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.10 1q53 h TYR 35 Cb 0.44 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 1q53 h TYR 35 CO 0.00 0.00 -0.45 0.00 -1.32 0.00 0.00 178.16 176.40 1q53 h ALA 36 N 0.88 0.52 -0.03 1.82 0.00 -1.37 0.12 119.26 121.20 1q53 h ALA 36 Ca 0.28 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1q53 h ALA 36 Cb 1.97 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.66 1q53 h ALA 36 CO -0.00 0.67 -0.93 -0.97 0.00 0.00 0.00 179.25 178.02 1q53 h ASN 37 N 0.73 0.73 -0.12 0.00 -0.73 0.23 0.27 115.58 116.69 1q53 h ASN 37 Ca 0.04 -0.55 -0.01 0.00 1.87 0.00 0.00 56.30 57.65 1q53 h ASN 37 Cb 1.05 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.41 1q53 h ASN 37 CO 0.11 1.35 0.04 -0.07 -0.37 0.00 0.00 177.43 178.49 1q53 h LEU 38 N 0.35 0.17 -0.74 0.34 -0.00 -0.97 0.51 115.31 114.97 1q53 h LEU 38 Ca -0.09 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.88 57.48 1q53 h LEU 38 Cb 1.56 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 42.17 1q53 h LEU 38 CO 0.17 0.30 -0.57 1.62 -0.00 0.00 0.00 178.44 179.96 1q53 h VAL 39 N 0.02 1.39 0.00 1.22 3.04 -0.79 1.05 116.25 122.18 1q53 h VAL 39 Ca 0.04 -1.92 -0.03 0.00 -1.01 0.00 0.00 66.70 63.77 1q53 h VAL 39 Cb 0.19 1.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1q53 h VAL 39 CO -0.00 0.56 -0.16 -1.13 -1.01 0.00 0.00 177.57 175.83 1q53 h ASN 40 N 0.13 0.00 0.00 3.17 -1.24 -0.10 -3.23 115.58 114.32 1q53 h ASN 40 Ca -0.00 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.74 1q53 h ASN 40 Cb 1.05 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.06 1q53 h ASN 40 CO 0.08 0.16 -1.74 -0.11 -1.29 0.00 0.00 177.43 174.54 1q53 n LEU 41 N -3.60 1.92 -4.52 0.34 0.00 0.14 -4.88 117.00 106.41 1q53 n LEU 41 Ca -0.01 0.38 -0.48 0.00 0.00 0.00 0.00 56.01 55.90 1q53 n LEU 41 Cb 0.30 -0.83 -0.06 0.00 0.00 0.00 0.00 43.42 42.83 1q53 n LEU 41 CO 0.31 0.22 1.78 -0.38 0.00 0.00 0.00 177.39 179.32 1q53 n ILE 42 N -4.37 0.28 0.05 1.96 5.41 0.36 -4.83 119.36 118.22 1q53 n ILE 42 Ca -0.36 -0.30 -0.13 0.00 1.00 0.00 0.00 62.75 62.96 1q53 n ILE 42 Cb 0.70 -1.96 -0.08 0.00 -0.71 0.00 0.00 39.64 37.59 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 12.84 -0.08 -6.51 0.38 4.81 -1.87 -3.40 114.58 120.75 1q53 h GLU 43 Ca -0.34 0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.33 1q53 h GLU 43 Cb 1.29 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 1q53 h GLU 43 CO 0.99 0.08 1.08 -1.25 -0.73 0.00 0.00 179.01 179.18 1q53 s PRO 44 N -5.61 3.52 0.00 0.92 0.04 -1.26 -3.99 135.00 128.61 1q53 s PRO 44 Ca -0.14 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1q53 s PRO 44 Cb 0.05 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1q53 s PRO 44 CO 0.65 -1.64 0.00 -0.12 0.04 0.00 0.00 177.00 175.93 1q53 n MET 45 N 8.18 0.00 0.00 4.56 1.56 -1.26 -4.71 117.12 125.45 1q53 n MET 45 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.59 1q53 n MET 45 Cb 0.48 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.85 1q53 n MET 45 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1q53 n LYS 46 N 0.00 0.00 -3.58 2.12 4.76 -1.26 -3.92 118.16 116.29 1q53 n LYS 46 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1q53 n LYS 46 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 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 0.00 -1.75 -0.15 7.82 0.00 -1.26 -5.06 121.76 121.37 1q53 s ALA 47 Ca 0.00 1.62 -0.02 0.00 0.00 0.00 0.00 51.96 53.56 1q53 s ALA 47 Cb 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1q53 s ALA 47 CO 0.00 -0.35 0.01 0.12 0.00 0.00 0.00 175.76 175.54 1q53 s PHE 48 N -0.46 1.02 0.33 0.00 5.36 -1.26 -2.08 117.98 120.90 1q53 s PHE 48 Ca -0.06 -0.68 0.09 0.00 -0.96 0.00 0.00 56.93 55.32 1q53 s PHE 48 Cb -0.02 -1.00 -0.06 0.00 -0.34 0.00 0.00 43.02 41.59 1q53 s PHE 48 CO 0.06 -0.53 -0.10 -3.38 -1.46 0.00 0.00 175.22 169.81 1q53 s HIS 49 N 1.86 2.33 0.42 10.12 -3.43 -1.10 -5.04 115.29 120.45 1q53 s HIS 49 Ca 0.01 -0.51 0.07 0.00 -0.80 0.00 0.00 55.06 53.83 1q53 s HIS 49 Cb -0.15 -1.30 -0.06 0.00 -1.43 0.00 0.00 32.58 29.63 1q53 s HIS 49 CO -0.07 0.55 0.09 1.67 -2.00 0.00 0.00 174.74 174.98 1q53 s TRP 50 N -2.66 2.50 -0.25 0.38 1.48 -1.26 -2.41 118.94 116.72 1q53 s TRP 50 Ca 0.32 -0.66 -0.18 0.00 -1.06 0.00 0.00 56.10 54.52 1q53 s TRP 50 Cb 0.02 -1.85 0.07 0.00 -1.16 0.00 0.00 33.47 30.55 1q53 s TRP 50 CO 0.16 0.31 0.63 0.20 -4.06 0.00 0.00 176.95 174.18 1q53 s GLY 51 N -3.81 -0.53 0.14 3.67 0.00 -1.12 -4.97 107.32 100.71 1q53 s GLY 51 Ca 0.36 2.03 0.09 0.00 0.00 0.00 0.00 44.72 47.21 1q53 s GLY 51 CO 0.19 1.94 -0.22 1.25 0.00 0.00 0.00 173.10 176.26 1q53 s LYS 52 N 1.03 1.30 0.38 2.90 2.20 -1.26 -2.65 119.74 123.64 1q53 s LYS 52 Ca -0.06 -1.34 -0.25 0.00 -0.36 0.00 0.00 55.97 53.96 1q53 s LYS 52 Cb -0.05 -1.56 -0.12 0.00 -1.51 0.00 0.00 37.83 34.58 1q53 s LYS 52 CO -0.10 0.35 0.93 -0.40 -0.36 0.00 0.00 175.35 175.77 1q53 n ASP 53 N 0.66 0.89 -4.28 1.43 5.75 -1.26 -4.95 116.55 114.79 1q53 n ASP 53 Ca -0.16 1.06 -0.35 0.00 -0.01 0.00 0.00 54.79 55.32 1q53 n ASP 53 Cb 0.55 -1.29 -0.14 0.00 -1.03 0.00 0.00 41.12 39.21 1q53 n ASP 53 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1q53 s VAL 54 N -1.24 3.34 -1.03 2.12 -7.23 -1.26 -4.72 120.40 110.37 1q53 s VAL 54 Ca 0.62 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.84 1q53 s VAL 54 Cb -0.61 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 33.73 1q53 s VAL 54 CO 0.58 0.26 0.63 -0.24 -0.31 0.00 0.00 175.10 176.01 1q53 n SER 55 N 4.77 -4.22 -0.00 4.85 2.88 -1.26 -4.84 113.62 115.79 1q53 n SER 55 Ca -0.17 -1.15 0.04 0.00 -1.33 0.00 0.00 58.87 56.26 1q53 n SER 55 Cb 0.49 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 62.36 1q53 n SER 55 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1q53 n ILE 56 N -4.03 0.00 -3.43 2.46 2.08 -1.26 -5.10 119.36 110.07 1q53 n ILE 56 Ca -0.19 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1q53 n ILE 56 Cb 0.60 0.69 0.00 0.00 -0.75 0.00 0.00 39.64 40.17 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1q53 n GLU 57 N -1.45 0.00 -2.07 0.38 2.13 -1.26 -3.63 120.64 114.73 1q53 n GLU 57 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1q53 n GLU 57 Cb 0.16 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.81 1q53 n GLU 57 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1q53 s ASN 58 N -4.00 5.03 0.00 4.31 0.01 -1.26 -3.97 114.94 115.06 1q53 s ASN 58 Ca 0.00 -1.68 0.00 0.00 -0.71 0.00 0.00 52.86 50.47 1q53 s ASN 58 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1q53 s ASN 58 CO 0.00 -3.08 0.00 0.18 -1.51 0.00 0.00 177.10 172.69 1q53 n LEU 59 N 14.37 0.29 -4.06 0.60 4.77 -1.24 -5.10 117.00 126.63 1q53 n LEU 59 Ca 0.45 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.07 1q53 n LEU 59 Cb 0.47 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1q53 n LEU 59 CO 0.68 -0.19 -1.38 0.00 -1.33 0.00 0.00 177.39 175.17 1q53 n HIS 60 N -2.38 -3.43 -0.00 -1.77 1.44 -1.25 -4.90 115.22 102.92 1q53 n HIS 60 Ca 0.00 0.21 0.02 0.00 -2.01 0.00 0.00 57.72 55.94 1q53 n HIS 60 Cb 0.15 -1.46 -0.12 0.00 0.12 0.00 0.00 29.99 28.68 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 1.73 0.65 0.00 -1.40 3.00 -1.26 -4.92 117.38 115.18 1q53 n GLN 61 Ca -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1q53 n GLN 61 Cb 0.62 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.20 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 1.42 0.00 0.13 1.08 0.00 -1.26 -5.07 105.19 101.49 1q53 n GLY 62 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 0.54 0.00 1.61 -1.99 -1.92 -3.43 116.97 111.77 1q53 h TYR 63 Ca 0.00 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1q53 h TYR 63 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1q53 h TYR 63 CO 0.00 1.61 0.00 0.25 -0.00 0.00 0.00 178.16 180.02 1q53 n THR 64 N -3.80 0.00 -3.88 -2.88 -2.24 -1.26 -4.34 114.28 95.88 1q53 n THR 64 Ca -0.25 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1q53 n THR 64 Cb 0.96 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.16 -0.14 4.78 3.76 -1.26 -4.59 115.29 117.99 1q53 s HIS 65 Ca 0.00 -0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.12 1q53 s HIS 65 Cb 0.00 0.62 0.04 0.00 1.11 0.00 0.00 32.58 34.35 1q53 s HIS 65 CO 0.00 -1.35 0.37 0.96 -0.85 0.00 0.00 174.74 173.87 1q53 s ILE 66 N -3.09 -0.01 -0.27 0.60 -5.25 -1.08 -3.72 121.20 108.37 1q53 s ILE 66 Ca 0.17 0.04 -0.10 0.00 -0.99 0.00 0.00 60.65 59.76 1q53 s ILE 66 Cb -0.04 -0.53 -0.04 0.00 2.95 0.00 0.00 42.46 44.79 1q53 s ILE 66 CO 0.11 0.01 0.16 -0.36 -1.79 0.00 0.00 174.94 173.07 1q53 s PHE 67 N 0.60 3.19 -0.09 1.37 0.08 0.56 -2.80 117.98 120.89 1q53 s PHE 67 Ca -0.03 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.00 1q53 s PHE 67 Cb -0.05 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1q53 s PHE 67 CO -0.04 -0.21 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.78 1q53 s GLU 68 N 1.72 2.98 -0.05 0.44 2.56 -1.01 -1.80 118.70 123.55 1q53 s GLU 68 Ca 0.07 -0.59 0.05 0.00 0.00 0.00 0.00 54.97 54.49 1q53 s GLU 68 Cb -0.16 -2.62 -0.00 0.00 2.00 0.00 0.00 34.13 33.35 1q53 s GLU 68 CO 0.09 0.50 -0.19 0.45 -0.56 0.00 0.00 175.26 175.56 1q53 s SER 69 N -0.39 2.40 -0.18 -1.70 0.15 -1.22 -2.70 113.70 110.06 1q53 s SER 69 Ca 0.05 -0.40 -0.14 0.00 0.70 0.00 0.00 55.95 56.17 1q53 s SER 69 Cb -0.12 -0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 63.42 1q53 s SER 69 CO 0.02 0.17 0.30 -0.89 1.20 0.00 0.00 173.24 174.04 1q53 s THR 70 N 0.05 5.29 0.28 6.45 2.01 -0.88 -2.47 115.64 126.37 1q53 s THR 70 Ca -0.05 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.50 1q53 s THR 70 Cb -0.13 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1q53 s THR 70 CO 0.03 0.35 0.06 -0.36 -0.69 0.00 0.00 174.62 174.01 1q53 s PHE 71 N 0.74 1.70 -0.09 4.92 0.08 -1.16 -4.11 117.98 120.06 1q53 s PHE 71 Ca 0.16 -1.05 0.13 0.00 0.12 0.00 0.00 56.93 56.29 1q53 s PHE 71 Cb -0.13 -1.04 0.20 0.00 -0.57 0.00 0.00 43.02 41.47 1q53 s PHE 71 CO 0.05 -0.15 1.09 -0.85 -0.10 0.00 0.00 175.22 175.26 1q53 n GLU 72 N -0.54 1.49 0.00 0.44 0.00 -1.26 -3.61 120.64 117.17 1q53 n GLU 72 Ca -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 57.16 54.98 1q53 n GLU 72 Cb 0.66 -1.28 0.00 0.00 0.00 0.00 0.00 31.44 30.82 1q53 n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1q53 n SER 73 N -1.08 0.00 0.19 -1.84 2.88 -1.26 -4.63 113.62 107.88 1q53 n SER 73 Ca 0.11 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1q53 n SER 73 Cb 0.56 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.40 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 -0.35 -1.46 2.10 -1.99 -2.39 116.57 112.48 1q53 h LYS 74 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 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 0.35 -0.22 0.93 -2.00 0.00 0.00 179.45 178.52 1q53 h GLU 75 N 0.00 0.68 -0.56 0.07 5.08 -2.01 -2.84 114.58 114.99 1q53 h GLU 75 Ca -0.00 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1q53 h GLU 75 Cb 0.64 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1q53 h GLU 75 CO 0.05 0.84 0.36 0.00 -1.00 0.00 0.00 179.01 179.25 1q53 h ALA 76 N 1.17 0.72 -0.92 3.43 0.00 -1.82 -0.36 119.26 121.48 1q53 h ALA 76 Ca 0.09 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1q53 h ALA 76 Cb 0.69 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1q53 h ALA 76 CO 0.05 0.10 0.62 0.28 0.00 0.00 0.00 179.25 180.31 1q53 h VAL 77 N 0.71 0.61 -0.18 0.00 2.07 -1.41 0.34 116.25 118.40 1q53 h VAL 77 Ca 0.22 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1q53 h VAL 77 Cb -0.03 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1q53 h VAL 77 CO -0.07 0.05 -0.03 0.00 0.02 0.00 0.00 177.57 177.53 1q53 h ALA 78 N 1.59 0.25 -0.98 1.67 0.00 -1.06 0.41 119.26 121.14 1q53 h ALA 78 Ca 0.47 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1q53 h ALA 78 Cb 1.41 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1q53 h ALA 78 CO -0.13 -0.00 0.63 1.49 0.00 0.00 0.00 179.25 181.23 1q53 h GLU 79 N 0.06 1.01 0.04 0.00 4.81 -0.03 1.33 114.58 121.80 1q53 h GLU 79 Ca 0.05 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1q53 h GLU 79 Cb 0.46 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1q53 h GLU 79 CO 0.02 0.67 -1.07 -0.92 -0.73 0.00 0.00 179.01 176.98 1q53 h TYR 80 N 1.04 0.80 0.00 0.92 3.20 -0.99 -3.12 116.97 118.82 1q53 h TYR 80 Ca 0.45 -0.47 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1q53 h TYR 80 Cb 0.35 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1q53 h TYR 80 CO -0.00 1.30 -0.09 0.82 -1.64 0.00 0.00 178.16 178.55 1q53 h ILE 81 N 0.27 0.20 -0.89 1.81 2.04 0.85 -2.85 117.51 118.93 1q53 h ILE 81 Ca -0.12 -0.92 -0.55 0.00 1.00 0.00 0.00 64.86 64.27 1q53 h ILE 81 Cb 1.72 1.77 -0.26 0.00 -0.74 0.00 0.00 36.82 39.31 1q53 h ILE 81 CO 0.20 0.09 0.71 0.00 0.00 0.00 0.00 178.15 179.15 1q53 n ALA 82 N -2.14 5.78 -2.75 1.87 0.00 0.45 -4.92 120.51 118.81 1q53 n ALA 82 Ca 0.01 -2.90 -0.34 0.00 0.00 0.00 0.00 53.44 50.22 1q53 n ALA 82 Cb 0.43 -1.58 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.23 3.00 0.10 0.00 5.04 -1.08 -4.95 115.29 114.18 1q53 s HIS 83 Ca 0.55 -0.08 -0.11 0.00 -1.54 0.00 0.00 55.06 53.88 1q53 s HIS 83 Cb 0.44 -1.81 -0.16 0.00 0.04 0.00 0.00 32.58 31.08 1q53 s HIS 83 CO 0.03 0.21 1.26 -1.00 -2.34 0.00 0.00 174.74 172.90 1q53 h PRO 84 N 5.79 0.66 -0.21 2.88 0.13 -1.91 -1.79 132.00 137.56 1q53 h PRO 84 Ca -0.42 -0.64 0.04 0.00 -0.87 0.00 0.00 66.00 64.11 1q53 h PRO 84 Cb 1.18 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1q53 h PRO 84 CO 0.56 1.25 -0.04 0.00 -0.23 0.00 0.00 178.00 179.54 1q53 h ALA 85 N 0.54 0.14 -0.35 -0.56 0.00 -1.96 0.87 119.26 117.95 1q53 h ALA 85 Ca -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1q53 h ALA 85 Cb 1.57 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1q53 h ALA 85 CO 0.18 -0.47 -0.16 1.25 0.00 0.00 0.00 179.25 180.05 1q53 h HIS 86 N 0.01 0.69 -0.55 0.00 -0.00 -1.89 -1.85 115.15 111.56 1q53 h HIS 86 Ca 0.10 -0.13 -0.08 0.00 -0.00 0.00 0.00 60.37 60.26 1q53 h HIS 86 Cb 0.15 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1q53 h HIS 86 CO -0.22 0.76 0.04 0.28 -0.00 0.00 0.00 177.93 178.79 1q53 h VAL 87 N 0.57 1.25 -0.57 5.26 2.07 -0.31 0.87 116.25 125.39 1q53 h VAL 87 Ca 0.09 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1q53 h VAL 87 Cb 0.61 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1q53 h VAL 87 CO 0.04 0.37 0.11 -0.08 0.02 0.00 0.00 177.57 178.03 1q53 h GLU 88 N 0.85 0.93 0.02 1.57 4.57 0.12 0.35 114.58 123.00 1q53 h GLU 88 Ca 0.17 -0.24 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 1q53 h GLU 88 Cb 0.45 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1q53 h GLU 88 CO 0.02 0.88 -1.03 0.74 -1.18 0.00 0.00 179.01 178.44 1q53 h PHE 89 N 0.83 0.83 -0.22 0.92 -1.00 -0.99 -1.47 116.94 115.85 1q53 h PHE 89 Ca 0.18 -0.47 -0.10 0.00 2.81 0.00 0.00 57.97 60.39 1q53 h PHE 89 Cb 0.38 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1q53 h PHE 89 CO 0.03 1.30 -0.30 0.00 -1.61 0.00 0.00 178.31 177.73 1q53 h ALA 90 N 0.54 1.09 -0.04 2.45 0.00 0.90 -0.79 119.26 123.41 1q53 h ALA 90 Ca -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1q53 h ALA 90 Cb 1.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1q53 h ALA 90 CO 0.19 0.57 -0.14 1.15 0.00 0.00 0.00 179.25 181.01 1q53 h THR 91 N 0.38 1.46 -0.90 0.00 2.02 -0.28 0.13 112.91 115.71 1q53 h THR 91 Ca 0.05 -1.57 0.05 0.00 0.77 0.00 0.00 66.41 65.71 1q53 h THR 91 Cb 0.72 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 69.45 1q53 h THR 91 CO 0.05 0.43 0.59 0.40 0.37 0.00 0.00 175.52 177.36 1q53 h ILE 92 N -0.38 1.12 -0.15 3.11 2.04 -1.17 -0.76 117.51 121.31 1q53 h ILE 92 Ca -0.01 -0.37 -0.22 0.00 1.00 0.00 0.00 64.86 65.26 1q53 h ILE 92 Cb 0.77 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1q53 h ILE 92 CO 0.03 0.20 -0.77 0.15 0.00 0.00 0.00 178.15 177.76 1q53 h PHE 93 N 1.08 1.07 -0.48 1.37 3.57 -1.12 -3.07 116.94 119.36 1q53 h PHE 93 Ca 0.37 -0.47 0.06 0.00 3.53 0.00 0.00 57.97 61.45 1q53 h PHE 93 Cb 0.09 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1q53 h PHE 93 CO -0.00 1.31 0.32 -0.07 -2.23 0.00 0.00 178.31 177.64 1q53 h LEU 94 N 0.52 0.37 -2.17 0.59 3.38 0.10 0.28 115.31 118.39 1q53 h LEU 94 Ca -0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1q53 h LEU 94 Cb 1.40 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1q53 h LEU 94 CO 0.16 0.25 -0.05 1.23 0.09 0.00 0.00 178.44 180.12 1q53 h GLY 95 N 0.43 0.00 -4.72 0.83 0.00 -1.07 -2.78 103.07 95.76 1q53 h GLY 95 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 47.12 1q53 h GLY 95 CO -0.05 0.00 -0.98 1.44 0.00 0.00 0.00 176.54 176.94 1q53 n SER 96 N -3.35 3.03 -4.51 0.19 7.64 0.84 -5.06 113.62 112.39 1q53 n SER 96 Ca -0.02 -2.98 -0.30 0.00 1.01 0.00 0.00 58.87 56.59 1q53 n SER 96 Cb 0.19 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.83 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 -3.53 2.78 -0.19 -3.43 0.20 -0.38 -4.07 118.68 110.06 1q53 s LEU 97 Ca 0.37 -0.48 -0.15 0.00 0.69 0.00 0.00 54.13 54.56 1q53 s LEU 97 Cb 0.39 -1.61 -0.07 0.00 -0.43 0.00 0.00 46.19 44.47 1q53 s LEU 97 CO -0.03 0.19 -0.26 -0.67 -0.29 0.00 0.00 176.35 175.30 1q53 n ASP 98 N 0.93 1.90 -4.04 3.68 2.03 0.19 -4.60 116.55 116.63 1q53 n ASP 98 Ca -0.15 0.43 -0.09 0.00 0.52 0.00 0.00 54.79 55.49 1q53 n ASP 98 Cb 0.52 -0.81 -0.11 0.00 -0.72 0.00 0.00 41.12 40.01 1q53 n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1q53 s LYS 99 N -2.61 0.47 -0.18 -0.67 1.02 -1.20 -4.96 119.74 111.60 1q53 s LYS 99 Ca -0.26 -0.85 -0.09 0.00 0.02 0.00 0.00 55.97 54.78 1q53 s LYS 99 Cb 0.05 0.05 0.06 0.00 -0.52 0.00 0.00 37.83 37.47 1q53 s LYS 99 CO 0.39 -0.05 0.42 0.54 -0.92 0.00 0.00 175.35 175.74 1q53 s VAL 100 N -2.26 -0.11 -0.01 3.17 0.11 -1.26 -1.36 120.40 118.68 1q53 s VAL 100 Ca -0.07 0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1q53 s VAL 100 Cb -0.04 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1q53 s VAL 100 CO -0.03 0.04 -0.11 -0.76 -3.33 0.00 0.00 175.10 170.91 1q53 s LEU 101 N 1.58 2.03 -0.21 2.54 1.02 -0.74 -5.03 118.68 119.87 1q53 s LEU 101 Ca -0.08 -0.21 -0.08 0.00 0.02 0.00 0.00 54.13 53.77 1q53 s LEU 101 Cb -0.09 -0.55 -0.04 0.00 0.02 0.00 0.00 46.19 45.54 1q53 s LEU 101 CO -0.13 0.12 0.09 -0.69 0.02 0.00 0.00 176.35 175.76 1q53 s VAL 102 N -0.29 4.84 -0.00 -1.59 1.01 -1.26 -2.71 120.40 120.39 1q53 s VAL 102 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1q53 s VAL 102 Cb -0.04 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1q53 s VAL 102 CO -0.00 0.40 0.02 -0.63 0.00 0.00 0.00 175.10 174.89 1q53 s ILE 103 N 0.81 0.02 -0.00 2.22 1.09 0.18 -5.03 121.20 120.49 1q53 s ILE 103 Ca 0.05 -0.18 0.07 0.00 -1.10 0.00 0.00 60.65 59.49 1q53 s ILE 103 Cb -0.13 -0.10 -0.02 0.00 -1.06 0.00 0.00 42.46 41.15 1q53 s ILE 103 CO 0.02 -0.10 -0.22 -0.62 -0.10 0.00 0.00 174.94 173.92 1q53 s ASP 104 N -0.29 2.64 -0.20 3.58 2.15 -1.26 0.21 116.67 123.49 1q53 s ASP 104 Ca -0.03 -0.43 -0.01 0.00 0.43 0.00 0.00 52.55 52.50 1q53 s ASP 104 Cb -0.02 -0.28 0.01 0.00 -0.30 0.00 0.00 42.92 42.33 1q53 s ASP 104 CO -0.00 0.26 -0.13 -0.47 -0.17 0.00 0.00 175.17 174.66 1q53 s TYR 105 N -0.58 2.89 -0.01 -5.34 6.14 0.11 -4.81 117.35 115.75 1q53 s TYR 105 Ca 0.09 -1.42 0.06 0.00 0.64 0.00 0.00 57.07 56.44 1q53 s TYR 105 Cb -0.09 -2.00 -0.02 0.00 0.42 0.00 0.00 41.96 40.28 1q53 s TYR 105 CO -0.00 -0.71 -0.18 0.15 0.64 0.00 0.00 175.55 175.44 1q53 s LYS 106 N 1.35 1.46 -0.57 4.97 1.02 -1.26 -2.61 119.74 124.10 1q53 s LYS 106 Ca 0.04 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 1q53 s LYS 106 Cb -0.14 -1.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1q53 s LYS 106 CO -0.08 0.39 1.51 -1.25 -0.92 0.00 0.00 175.35 174.99 1q53 s PRO 107 N -0.51 3.17 -0.43 -1.68 0.04 -1.26 -4.90 135.00 129.42 1q53 s PRO 107 Ca 0.07 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.63 1q53 s PRO 107 Cb -0.07 -4.18 0.18 0.00 0.04 0.00 0.00 34.50 30.46 1q53 s PRO 107 CO -0.00 -2.10 0.37 2.41 0.04 0.00 0.00 177.00 177.72 1q53 n THR 108 N 6.91 -0.94 -1.86 1.26 -1.04 -1.26 -5.12 114.28 112.23 1q53 n THR 108 Ca 0.14 -3.60 -0.31 0.00 -2.04 0.00 0.00 64.05 58.24 1q53 n THR 108 Cb 0.50 -1.72 0.01 0.00 -1.82 0.00 0.00 70.33 67.29 1q53 n THR 108 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1q53 s SER 109 N -0.20 6.18 -0.12 8.00 0.01 -1.26 -5.05 113.70 121.26 1q53 s SER 109 Ca 0.33 1.43 -0.11 0.00 1.31 0.00 0.00 55.95 58.90 1q53 s SER 109 Cb 0.05 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1q53 s SER 109 CO -0.19 -0.90 0.24 0.54 0.41 0.00 0.00 173.24 173.34 1q53 s VAL 110 N -3.18 5.33 -0.12 3.43 0.11 -1.26 -5.05 120.40 119.67 1q53 s VAL 110 Ca 0.55 0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 59.75 1q53 s VAL 110 Cb -0.11 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1q53 s VAL 110 CO 0.54 0.51 1.33 -0.44 -3.33 0.00 0.00 175.10 173.71 1q53 s SER 111 N -0.38 6.91 0.00 3.54 0.01 -1.26 -5.36 113.70 117.16 1q53 s SER 111 Ca 0.16 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1q53 s SER 111 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1q53 s SER 111 CO 0.05 -0.76 0.33 0.00 0.41 0.00 0.00 173.24 173.27