#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q53 h SER 2 N 0.00 0.73 -2.61 1.61 0.87 -2.04 -3.49 113.55 108.62 1q53 h SER 2 Ca 0.00 -0.60 0.28 0.00 -1.23 0.00 0.00 61.79 60.24 1q53 h SER 2 Cb 0.00 -0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 61.65 1q53 h SER 2 CO 0.00 1.20 -0.56 1.41 -0.53 0.00 0.00 176.83 178.35 1q53 n HIS 3 N -4.17 -2.72 -1.50 2.24 8.25 -1.26 -4.98 115.22 111.07 1q53 n HIS 3 Ca -0.07 1.40 0.10 0.00 -0.26 0.00 0.00 57.72 58.89 1q53 n HIS 3 Cb 0.60 -2.47 -0.06 0.00 1.12 0.00 0.00 29.99 29.19 1q53 n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1q53 n MET 4 N -3.52 -3.68 -1.54 -0.41 2.00 -1.26 -4.78 117.12 103.93 1q53 n MET 4 Ca -0.02 2.95 -0.43 0.00 0.00 0.00 0.00 57.70 60.20 1q53 n MET 4 Cb 0.63 -3.97 -0.00 0.00 0.00 0.00 0.00 33.22 29.88 1q53 n MET 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1q53 n GLU 5 N -3.65 0.99 -2.54 0.03 -0.58 -1.26 -4.86 120.64 108.78 1q53 n GLU 5 Ca -0.06 0.35 -0.43 0.00 -0.42 0.00 0.00 57.16 56.61 1q53 n GLU 5 Cb 0.61 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.73 1q53 n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1q53 s GLU 6 N -1.66 3.88 0.33 3.49 -1.05 -1.26 -4.97 118.70 117.46 1q53 s GLU 6 Ca 0.62 0.97 -0.02 0.00 -0.15 0.00 0.00 54.97 56.39 1q53 s GLU 6 Cb -0.64 -3.85 0.01 0.00 -0.44 0.00 0.00 34.13 29.20 1q53 s GLU 6 CO 0.58 -1.16 0.45 0.00 0.95 0.00 0.00 175.26 176.08 1q53 n ALA 7 N 7.55 -0.30 0.03 -0.84 0.00 -1.26 -5.07 120.51 120.62 1q53 n ALA 7 Ca 0.13 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1q53 n ALA 7 Cb 0.48 1.23 0.00 0.00 0.00 0.00 0.00 19.45 21.15 1q53 n ALA 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1q53 n LYS 8 N -0.54 0.00 0.00 0.00 4.81 -1.26 -4.76 118.16 116.40 1q53 n LYS 8 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1q53 n LYS 8 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 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 -1.11 0.58 3.79 3.14 0.00 -1.26 -2.52 105.19 107.81 1q53 n GLY 9 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 3.95 -0.04 1.61 0.04 -1.26 -5.13 135.00 134.17 1q53 s PRO 10 Ca 0.00 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1q53 s PRO 10 Cb 0.00 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1q53 s PRO 10 CO 0.00 -0.32 -0.14 0.08 0.04 0.00 0.00 177.00 176.66 1q53 s VAL 11 N -1.84 1.19 -0.04 -0.36 1.01 -1.05 -4.62 120.40 114.69 1q53 s VAL 11 Ca 0.63 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1q53 s VAL 11 Cb -0.19 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1q53 s VAL 11 CO 0.23 0.36 -0.10 -0.54 0.00 0.00 0.00 175.10 175.05 1q53 s LYS 12 N 0.24 1.18 -0.12 2.72 1.02 -0.91 -3.87 119.74 119.99 1q53 s LYS 12 Ca -0.06 -0.33 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 1q53 s LYS 12 Cb -0.12 -1.06 -0.05 0.00 -0.52 0.00 0.00 37.83 36.09 1q53 s LYS 12 CO 0.02 0.09 0.25 -1.58 -0.92 0.00 0.00 175.35 173.20 1q53 s HIS 13 N 0.36 3.55 -0.17 3.18 5.65 -0.31 0.17 115.29 127.72 1q53 s HIS 13 Ca -0.07 0.61 0.00 0.00 0.25 0.00 0.00 55.06 55.86 1q53 s HIS 13 Cb -0.11 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.11 1q53 s HIS 13 CO 0.01 0.48 -0.16 0.08 -0.65 0.00 0.00 174.74 174.50 1q53 s VAL 14 N -0.30 2.52 0.00 0.89 1.01 0.54 -2.19 120.40 122.88 1q53 s VAL 14 Ca 0.16 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1q53 s VAL 14 Cb -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1q53 s VAL 14 CO 0.05 0.51 -0.09 -0.22 0.00 0.00 0.00 175.10 175.35 1q53 s LEU 15 N 1.02 2.06 -0.14 3.92 0.20 -0.96 0.72 118.68 125.50 1q53 s LEU 15 Ca -0.02 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.60 1q53 s LEU 15 Cb -0.15 -0.41 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 1q53 s LEU 15 CO -0.04 0.06 -0.22 -0.22 -0.29 0.00 0.00 176.35 175.64 1q53 s LEU 16 N -0.46 2.12 0.00 -0.68 1.98 -0.36 -0.41 118.68 120.88 1q53 s LEU 16 Ca 0.01 -0.60 0.01 0.00 -2.89 0.00 0.00 54.13 50.67 1q53 s LEU 16 Cb -0.04 -1.45 -0.01 0.00 0.66 0.00 0.00 46.19 45.35 1q53 s LEU 16 CO -0.00 0.08 -0.05 0.00 -1.89 0.00 0.00 176.35 174.50 1q53 s ALA 17 N 0.80 0.37 0.00 5.97 0.00 -1.24 -1.25 121.76 126.41 1q53 s ALA 17 Ca -0.07 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1q53 s ALA 17 Cb -0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1q53 s ALA 17 CO -0.02 0.06 -0.18 -1.12 0.00 0.00 0.00 175.76 174.50 1q53 s SER 18 N -0.37 2.16 -0.34 0.00 0.01 -1.15 -4.32 113.70 109.69 1q53 s SER 18 Ca -0.01 -0.37 -0.24 0.00 1.31 0.00 0.00 55.95 56.64 1q53 s SER 18 Cb -0.03 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1q53 s SER 18 CO -0.00 0.20 0.81 -0.36 0.41 0.00 0.00 173.24 174.29 1q53 s PHE 19 N -0.53 3.14 1.02 2.43 0.08 -1.26 0.14 117.98 123.01 1q53 s PHE 19 Ca 0.07 0.68 -0.20 0.00 0.12 0.00 0.00 56.93 57.60 1q53 s PHE 19 Cb -0.07 -3.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.02 1q53 s PHE 19 CO -0.00 -0.68 -0.44 1.63 -0.10 0.00 0.00 175.22 175.62 1q53 n LYS 20 N 6.39 -1.14 -3.31 0.44 5.02 -1.26 -4.81 118.16 119.48 1q53 n LYS 20 Ca 0.04 -0.33 -0.45 0.00 -2.02 0.00 0.00 58.31 55.55 1q53 n LYS 20 Cb 0.48 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 1q53 n LYS 20 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1q53 s ASP 21 N -1.54 6.18 0.00 4.39 -4.77 -1.26 -4.13 116.67 115.53 1q53 s ASP 21 Ca 0.42 -1.56 0.00 0.00 -3.30 0.00 0.00 52.55 48.11 1q53 s ASP 21 Cb -0.02 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 39.59 1q53 s ASP 21 CO 0.55 -0.81 0.00 0.61 0.70 0.00 0.00 175.17 176.23 1q53 n GLY 22 N 5.23 0.44 3.73 2.12 0.00 -1.26 -5.13 105.19 110.32 1q53 n GLY 22 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 4.01 0.71 1.61 0.11 -1.26 -4.99 120.40 120.59 1q53 s VAL 23 Ca 0.00 1.67 -0.16 0.00 -2.93 0.00 0.00 61.98 60.55 1q53 s VAL 23 Cb 0.00 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 1q53 s VAL 23 CO 0.00 0.25 0.80 -1.20 -3.33 0.00 0.00 175.10 171.62 1q53 n SER 24 N 2.73 -0.13 0.05 3.54 7.64 -1.26 -4.92 113.62 121.27 1q53 n SER 24 Ca 0.04 0.65 -0.13 0.00 1.01 0.00 0.00 58.87 60.44 1q53 n SER 24 Cb 0.47 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 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 -0.22 0.47 -0.29 1.43 0.13 -2.01 -3.13 132.00 128.39 1q53 h PRO 25 Ca -0.47 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1q53 h PRO 25 Cb 1.34 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 1q53 h PRO 25 CO 0.46 1.10 0.18 1.49 -0.23 0.00 0.00 178.00 181.00 1q53 h GLU 26 N 0.29 0.39 -0.23 0.86 4.81 -2.00 -0.24 114.58 118.45 1q53 h GLU 26 Ca -0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1q53 h GLU 26 Cb 1.50 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1q53 h GLU 26 CO 0.16 0.27 -0.27 -0.22 -0.73 0.00 0.00 179.01 178.22 1q53 h LYS 27 N 0.40 0.44 -0.38 1.92 1.63 -1.92 -0.28 116.57 118.39 1q53 h LYS 27 Ca 0.11 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1q53 h LYS 27 Cb -0.03 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1q53 h LYS 27 CO -0.02 0.68 0.23 0.82 -3.45 0.00 0.00 179.45 177.71 1q53 h ILE 28 N 0.39 1.12 -0.26 2.00 2.04 -1.04 0.12 117.51 121.88 1q53 h ILE 28 Ca 0.06 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1q53 h ILE 28 Cb 0.68 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1q53 h ILE 28 CO 0.05 0.12 -0.07 -0.08 0.00 0.00 0.00 178.15 178.18 1q53 h GLU 29 N 0.50 0.51 -0.92 2.37 4.22 -1.19 -2.04 114.58 118.03 1q53 h GLU 29 Ca 0.14 -0.20 0.08 0.00 0.08 0.00 0.00 59.36 59.46 1q53 h GLU 29 Cb -0.00 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1q53 h GLU 29 CO -0.03 0.73 0.59 0.93 -2.18 0.00 0.00 179.01 179.05 1q53 h GLU 30 N 0.26 0.97 -0.04 1.92 5.08 -0.77 0.71 114.58 122.72 1q53 h GLU 30 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1q53 h GLU 30 Cb 0.54 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1q53 h GLU 30 CO 0.03 0.64 0.01 1.25 -1.00 0.00 0.00 179.01 179.94 1q53 h LEU 31 N 1.00 0.06 0.01 1.33 6.46 -0.56 0.64 115.31 124.25 1q53 h LEU 31 Ca 0.41 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1q53 h LEU 31 Cb 0.28 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1q53 h LEU 31 CO -0.17 0.27 -0.01 0.40 -0.62 0.00 0.00 178.44 178.32 1q53 h ILE 32 N -0.16 1.04 -0.29 4.05 1.08 -0.59 1.45 117.51 124.09 1q53 h ILE 32 Ca 0.01 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1q53 h ILE 32 Cb 0.24 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1q53 h ILE 32 CO 0.00 0.04 0.16 0.50 -0.69 0.00 0.00 178.15 178.16 1q53 h LYS 33 N -0.09 0.40 0.00 2.37 3.64 0.48 -2.60 116.57 120.78 1q53 h LYS 33 Ca -0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1q53 h LYS 33 Cb 0.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1q53 h LYS 33 CO 0.00 0.29 -0.21 0.78 -2.27 0.00 0.00 179.45 178.05 1q53 h GLY 34 N 0.47 0.15 -0.91 5.01 0.00 0.11 -3.19 103.07 104.71 1q53 h GLY 34 Ca 0.11 -0.27 0.39 0.00 0.00 0.00 0.00 47.33 47.55 1q53 h GLY 34 CO -0.02 0.24 0.48 -1.82 0.00 0.00 0.00 176.54 175.42 1q53 h TYR 35 N -0.58 0.74 -0.21 5.60 5.03 0.24 1.39 116.97 129.18 1q53 h TYR 35 Ca -0.03 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 1q53 h TYR 35 Cb 0.98 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1q53 h TYR 35 CO 0.19 -0.42 -0.08 0.00 -1.32 0.00 0.00 178.16 176.53 1q53 h ALA 36 N 1.97 0.29 -0.99 1.82 0.00 -1.58 -1.66 119.26 119.12 1q53 h ALA 36 Ca 0.80 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1q53 h ALA 36 Cb 2.03 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1q53 h ALA 36 CO -0.76 0.11 0.64 -0.97 0.00 0.00 0.00 179.25 178.27 1q53 h ASN 37 N 0.14 1.02 -0.16 0.00 -1.24 0.16 0.10 115.58 115.60 1q53 h ASN 37 Ca 0.05 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 1q53 h ASN 37 Cb 0.56 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 1q53 h ASN 37 CO 0.03 0.65 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.68 1q53 h LEU 38 N 1.16 0.45 -1.29 0.34 -0.00 -0.18 -1.16 115.31 114.63 1q53 h LEU 38 Ca 0.42 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 58.13 1q53 h LEU 38 Cb 0.16 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1q53 h LEU 38 CO -0.17 0.57 -0.35 0.58 -0.00 0.00 0.00 178.44 179.07 1q53 h VAL 39 N 0.45 1.15 -0.02 1.22 2.07 0.12 0.27 116.25 121.50 1q53 h VAL 39 Ca 0.09 -1.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1q53 h VAL 39 Cb 0.40 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1q53 h VAL 39 CO 0.02 0.34 -0.63 -1.13 0.02 0.00 0.00 177.57 176.19 1q53 h ASN 40 N 0.00 0.09 0.00 0.57 -1.24 0.03 -3.35 115.58 111.68 1q53 h ASN 40 Ca -0.00 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1q53 h ASN 40 Cb 0.66 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.68 1q53 h ASN 40 CO 0.05 0.69 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.79 1q53 h LEU 41 N 0.05 0.00 -8.08 0.34 -0.00 -0.79 -3.44 115.31 103.39 1q53 h LEU 41 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.31 1q53 h LEU 41 Cb 1.13 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.72 1q53 h LEU 41 CO 0.09 0.11 1.64 -0.38 -0.00 0.00 0.00 178.44 179.89 1q53 n ILE 42 N -2.57 0.00 -0.02 1.22 2.08 0.87 -4.76 119.36 116.19 1q53 n ILE 42 Ca -0.00 -0.09 -0.09 0.00 0.56 0.00 0.00 62.75 63.13 1q53 n ILE 42 Cb 0.01 -0.77 -0.02 0.00 -0.75 0.00 0.00 39.64 38.11 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 12.08 -0.23 -4.57 0.38 5.08 -1.85 -3.16 114.58 122.31 1q53 h GLU 43 Ca -0.09 0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.64 1q53 h GLU 43 Cb 1.33 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1q53 h GLU 43 CO 1.29 -0.15 2.46 -0.35 -1.00 0.00 0.00 179.01 181.26 1q53 n PRO 44 N -5.35 2.20 -3.34 2.33 -0.04 -1.26 -4.70 135.00 124.84 1q53 n PRO 44 Ca -0.02 -2.36 -0.14 0.00 -0.04 0.00 0.00 63.50 60.95 1q53 n PRO 44 Cb 0.26 -3.21 -0.07 0.00 -0.04 0.00 0.00 33.50 30.44 1q53 n PRO 44 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1q53 s MET 45 N 4.41 0.60 0.00 0.54 1.75 -1.20 -4.69 119.30 120.72 1q53 s MET 45 Ca 0.54 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 1q53 s MET 45 Cb 0.11 -0.57 -0.00 0.00 2.84 0.00 0.00 34.83 37.22 1q53 s MET 45 CO 0.04 -1.16 1.02 -0.22 -0.65 0.00 0.00 175.02 174.05 1q53 h LYS 46 N 7.32 -0.01 -1.75 4.11 1.63 -1.83 -3.46 116.57 122.59 1q53 h LYS 46 Ca 0.01 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.95 1q53 h LYS 46 Cb 1.08 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.51 1q53 h LYS 46 CO 0.21 -0.00 0.61 0.00 -3.45 0.00 0.00 179.45 176.82 1q53 s ALA 47 N -3.90 -1.94 -0.36 5.00 0.00 -1.26 -5.06 121.76 114.25 1q53 s ALA 47 Ca -0.00 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 1q53 s ALA 47 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1q53 s ALA 47 CO 0.02 -0.49 0.30 0.12 0.00 0.00 0.00 175.76 175.72 1q53 s PHE 48 N -2.03 3.22 0.34 0.00 5.36 -1.26 -3.84 117.98 119.77 1q53 s PHE 48 Ca 0.03 -0.21 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 1q53 s PHE 48 Cb -0.01 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 40.07 1q53 s PHE 48 CO -0.04 -0.44 0.42 -1.01 -1.46 0.00 0.00 175.22 172.69 1q53 s HIS 49 N 1.85 3.03 0.44 10.12 3.76 -1.25 -5.09 115.29 128.13 1q53 s HIS 49 Ca 0.08 -0.26 0.08 0.00 -0.15 0.00 0.00 55.06 54.81 1q53 s HIS 49 Cb -0.17 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 1q53 s HIS 49 CO 0.11 0.03 0.42 -1.58 -0.85 0.00 0.00 174.74 172.87 1q53 s TRP 50 N -2.23 2.56 -0.35 1.40 0.52 -1.26 -4.07 118.94 115.50 1q53 s TRP 50 Ca 0.44 -0.53 0.05 0.00 0.02 0.00 0.00 56.10 56.08 1q53 s TRP 50 Cb -0.08 -2.18 0.33 0.00 -1.15 0.00 0.00 33.47 30.39 1q53 s TRP 50 CO 0.30 -0.24 1.35 0.41 0.02 0.00 0.00 176.95 178.79 1q53 n GLY 51 N -1.63 -1.06 3.62 0.98 0.00 -1.25 -4.84 105.19 101.01 1q53 n GLY 51 Ca 0.04 0.69 -0.34 0.00 0.00 0.00 0.00 46.02 46.41 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 0.09 2.78 0.49 1.61 -2.85 -1.26 -2.81 119.74 117.78 1q53 s LYS 52 Ca 0.21 -0.54 -0.24 0.00 -1.00 0.00 0.00 55.97 54.40 1q53 s LYS 52 Cb 0.30 -2.63 -0.07 0.00 -2.06 0.00 0.00 37.83 33.36 1q53 s LYS 52 CO -0.17 0.66 1.38 -0.40 0.10 0.00 0.00 175.35 176.92 1q53 n ASP 53 N 2.04 2.95 -4.87 0.03 5.75 -1.26 -4.98 116.55 116.20 1q53 n ASP 53 Ca -0.17 1.06 -0.31 0.00 -0.01 0.00 0.00 54.79 55.36 1q53 n ASP 53 Cb 0.53 -1.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.07 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 4.17 -0.94 2.12 -7.23 -1.26 -4.88 120.40 111.15 1q53 s VAL 54 Ca 0.65 0.71 -0.26 0.00 -1.81 0.00 0.00 61.98 61.27 1q53 s VAL 54 Cb -0.44 -3.69 -0.22 0.00 0.56 0.00 0.00 36.38 32.59 1q53 s VAL 54 CO 0.54 -0.92 1.99 -1.54 -0.31 0.00 0.00 175.10 174.86 1q53 n SER 55 N -2.87 1.80 -0.11 4.85 3.41 -1.26 -4.46 113.62 114.98 1q53 n SER 55 Ca 0.06 -2.56 0.11 0.00 -0.26 0.00 0.00 58.87 56.23 1q53 n SER 55 Cb 0.55 -1.53 0.03 0.00 -0.26 0.00 0.00 64.21 63.01 1q53 n SER 55 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1q53 n ILE 56 N 8.31 0.00 -1.65 -1.33 2.08 -1.26 -5.01 119.36 120.51 1q53 n ILE 56 Ca 0.43 -0.06 -0.01 0.00 0.56 0.00 0.00 62.75 63.68 1q53 n ILE 56 Cb 0.46 0.82 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 -1.15 -0.22 -1.66 0.38 2.13 -1.26 -4.91 120.64 113.95 1q53 n GLU 57 Ca 0.06 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1q53 n GLU 57 Cb 0.36 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1q53 n ASN 58 N -0.66 -8.75 0.00 4.31 2.85 -1.26 -5.04 115.26 106.72 1q53 n ASN 58 Ca 0.01 1.24 0.00 0.00 -0.11 0.00 0.00 54.58 55.72 1q53 n ASN 58 Cb 0.18 -4.66 0.00 0.00 1.24 0.00 0.00 39.78 36.54 1q53 n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1q53 n LEU 59 N -0.13 0.00 -4.77 1.20 -0.00 -1.26 -5.15 117.00 106.89 1q53 n LEU 59 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1q53 n LEU 59 Cb 0.00 0.03 0.15 0.00 -0.00 0.00 0.00 43.42 43.60 1q53 n LEU 59 CO 0.00 -0.03 0.71 -1.38 -0.00 0.00 0.00 177.39 176.69 1q53 s HIS 60 N -1.30 2.21 -0.07 1.47 -3.43 -1.26 -5.00 115.29 107.90 1q53 s HIS 60 Ca 0.00 0.79 0.15 0.00 -0.80 0.00 0.00 55.06 55.20 1q53 s HIS 60 Cb 0.00 -3.44 -0.23 0.00 -1.43 0.00 0.00 32.58 27.48 1q53 s HIS 60 CO 0.00 -2.59 0.24 1.04 -2.00 0.00 0.00 174.74 171.43 1q53 n GLN 61 N -3.90 0.90 0.00 -0.38 1.13 -1.26 -4.90 117.38 108.96 1q53 n GLN 61 Ca 0.08 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1q53 n GLN 61 Cb 0.59 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.55 1q53 n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q53 n GLY 62 N 1.77 0.00 0.13 1.08 0.00 -1.26 -5.05 105.19 101.86 1q53 n GLY 62 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 0.51 0.00 1.61 0.05 -1.94 -3.46 116.97 113.74 1q53 h TYR 63 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1q53 h TYR 63 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1q53 h TYR 63 CO 0.00 1.68 0.00 2.41 -1.05 0.00 0.00 178.16 181.20 1q53 n THR 64 N -3.70 0.00 -3.75 -2.88 -1.04 -1.26 -4.55 114.28 97.10 1q53 n THR 64 Ca -0.28 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.65 1q53 n THR 64 Cb 0.99 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.48 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 0.00 -0.26 -0.01 -1.42 3.76 -1.26 -4.50 115.29 111.60 1q53 s HIS 65 Ca 0.00 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 1q53 s HIS 65 Cb 0.00 0.65 -0.00 0.00 1.11 0.00 0.00 32.58 34.34 1q53 s HIS 65 CO 0.00 -1.12 -0.04 0.96 -0.85 0.00 0.00 174.74 173.69 1q53 s ILE 66 N -3.88 0.30 -0.35 0.60 -5.25 -1.12 -3.62 121.20 107.88 1q53 s ILE 66 Ca 0.09 -0.15 -0.13 0.00 -0.99 0.00 0.00 60.65 59.47 1q53 s ILE 66 Cb -0.04 -0.27 -0.01 0.00 2.95 0.00 0.00 42.46 45.09 1q53 s ILE 66 CO 0.02 0.09 0.23 -0.36 -1.79 0.00 0.00 174.94 173.13 1q53 s PHE 67 N -0.02 3.22 -0.10 1.37 0.08 0.46 -3.77 117.98 119.22 1q53 s PHE 67 Ca 0.01 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1q53 s PHE 67 Cb -0.02 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 1q53 s PHE 67 CO -0.00 -0.43 0.21 -2.00 -0.10 0.00 0.00 175.22 172.90 1q53 s GLU 68 N 1.69 3.66 -0.07 0.44 2.12 -1.26 -2.27 118.70 123.00 1q53 s GLU 68 Ca 0.05 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.41 1q53 s GLU 68 Cb -0.18 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1q53 s GLU 68 CO 0.10 0.69 -0.17 0.45 -0.54 0.00 0.00 175.26 175.78 1q53 s SER 69 N -0.83 2.30 -0.20 -1.70 0.15 -0.93 -3.83 113.70 108.66 1q53 s SER 69 Ca 0.16 -0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.32 1q53 s SER 69 Cb -0.13 -1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 63.12 1q53 s SER 69 CO 0.06 0.09 0.12 0.42 1.20 0.00 0.00 173.24 175.13 1q53 s THR 70 N 0.47 5.28 0.46 6.45 -4.23 -1.25 -1.16 115.64 121.66 1q53 s THR 70 Ca -0.15 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1q53 s THR 70 Cb -0.16 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 1q53 s THR 70 CO 0.05 0.44 0.20 -0.36 -0.54 0.00 0.00 174.62 174.42 1q53 s PHE 71 N 0.42 2.26 -0.35 3.99 0.08 -1.25 -3.25 117.98 119.88 1q53 s PHE 71 Ca 0.07 -0.71 0.04 0.00 0.12 0.00 0.00 56.93 56.46 1q53 s PHE 71 Cb -0.11 -1.90 0.33 0.00 -0.57 0.00 0.00 43.02 40.76 1q53 s PHE 71 CO -0.01 0.04 1.35 -0.85 -0.10 0.00 0.00 175.22 175.64 1q53 n GLU 72 N -1.36 0.32 0.00 0.44 0.28 -1.26 -4.70 120.64 114.36 1q53 n GLU 72 Ca -0.04 -0.96 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 1q53 n GLU 72 Cb 0.65 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.19 1q53 n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1q53 n SER 73 N 0.49 0.00 0.00 -1.84 7.64 -1.26 -4.79 113.62 113.86 1q53 n SER 73 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1q53 n SER 73 Cb 0.75 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1q53 n SER 73 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1q53 n LYS 74 N 0.00 0.00 0.23 1.43 3.00 -1.26 -4.02 118.16 117.54 1q53 n LYS 74 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1q53 n LYS 74 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 35.03 35.57 1q53 n LYS 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1q53 h GLU 75 N 0.00 0.00 -0.24 1.64 5.08 -2.02 -2.11 114.58 116.93 1q53 h GLU 75 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1q53 h GLU 75 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q53 h GLU 75 CO 0.00 0.16 -0.42 0.00 -1.00 0.00 0.00 179.01 177.75 1q53 h ALA 76 N 1.84 0.37 -0.86 3.43 0.00 -1.93 -2.78 119.26 119.33 1q53 h ALA 76 Ca -0.00 -0.46 0.25 0.00 0.00 0.00 0.00 54.91 54.70 1q53 h ALA 76 Cb 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1q53 h ALA 76 CO 0.02 0.49 0.69 0.28 0.00 0.00 0.00 179.25 180.73 1q53 h VAL 77 N 0.43 0.43 -0.28 0.00 2.07 -1.71 0.65 116.25 117.84 1q53 h VAL 77 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1q53 h VAL 77 Cb 1.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1q53 h VAL 77 CO 0.10 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.70 1q53 h ALA 78 N 1.43 0.38 -0.86 1.67 0.00 -1.44 -2.45 119.26 117.99 1q53 h ALA 78 Ca 0.41 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1q53 h ALA 78 Cb 1.78 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 1q53 h ALA 78 CO -0.00 0.10 0.49 1.49 0.00 0.00 0.00 179.25 181.33 1q53 h GLU 79 N 0.29 0.74 -0.40 0.00 4.81 0.24 0.62 114.58 120.88 1q53 h GLU 79 Ca 0.08 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1q53 h GLU 79 Cb 0.40 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1q53 h GLU 79 CO 0.01 0.49 0.24 -0.92 -0.73 0.00 0.00 179.01 178.10 1q53 h TYR 80 N 0.76 0.53 0.00 0.92 3.20 -1.22 -0.73 116.97 120.43 1q53 h TYR 80 Ca 0.44 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1q53 h TYR 80 Cb 0.50 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1q53 h TYR 80 CO -0.06 0.37 0.00 0.82 -1.64 0.00 0.00 178.16 177.65 1q53 h ILE 81 N 0.53 0.00 -0.96 1.81 2.04 -0.74 -1.93 117.51 118.26 1q53 h ILE 81 Ca 0.14 -0.32 -0.59 0.00 1.00 0.00 0.00 64.86 65.09 1q53 h ILE 81 Cb 0.00 1.25 -0.29 0.00 -0.74 0.00 0.00 36.82 37.04 1q53 h ILE 81 CO -0.03 0.00 0.75 0.00 0.00 0.00 0.00 178.15 178.88 1q53 n ALA 82 N -2.02 5.93 -2.65 1.87 0.00 0.08 -4.90 120.51 118.83 1q53 n ALA 82 Ca -0.00 -3.10 -0.33 0.00 0.00 0.00 0.00 53.44 50.01 1q53 n ALA 82 Cb 0.23 -1.62 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.45 2.80 0.19 0.00 5.04 -0.73 -4.97 115.29 114.16 1q53 s HIS 83 Ca 0.59 -0.22 0.04 0.00 -1.54 0.00 0.00 55.06 53.93 1q53 s HIS 83 Cb 0.48 -1.71 0.07 0.00 0.04 0.00 0.00 32.58 31.45 1q53 s HIS 83 CO 0.04 0.13 1.43 -1.00 -2.34 0.00 0.00 174.74 173.00 1q53 h PRO 84 N 5.67 0.18 -0.87 2.88 0.13 -1.91 -2.09 132.00 135.99 1q53 h PRO 84 Ca -0.42 -0.18 0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1q53 h PRO 84 Cb 1.17 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1q53 h PRO 84 CO 0.52 0.89 0.56 0.00 -0.23 0.00 0.00 178.00 179.75 1q53 h ALA 85 N 1.05 1.15 -0.08 -0.56 0.00 -1.95 0.62 119.26 119.49 1q53 h ALA 85 Ca -0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1q53 h ALA 85 Cb 1.40 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1q53 h ALA 85 CO 0.12 0.41 -0.47 1.25 0.00 0.00 0.00 179.25 180.55 1q53 h HIS 86 N 1.09 0.63 -0.92 0.00 -0.00 -1.87 -2.74 115.15 111.35 1q53 h HIS 86 Ca 0.35 -0.29 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 1q53 h HIS 86 Cb 0.01 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.26 1q53 h HIS 86 CO -0.02 1.06 0.59 0.28 -0.00 0.00 0.00 177.93 179.84 1q53 h VAL 87 N 0.02 1.09 -0.67 5.26 2.07 -0.83 1.46 116.25 124.65 1q53 h VAL 87 Ca -0.04 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1q53 h VAL 87 Cb 1.13 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1q53 h VAL 87 CO 0.10 0.20 0.43 -0.08 0.02 0.00 0.00 177.57 178.24 1q53 h GLU 88 N 1.09 0.88 0.01 1.57 4.57 0.25 0.97 114.58 123.92 1q53 h GLU 88 Ca 0.39 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.32 1q53 h GLU 88 Cb 0.11 -0.20 0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1q53 h GLU 88 CO -0.15 0.60 -0.73 0.35 -1.18 0.00 0.00 179.01 177.89 1q53 h PHE 89 N 0.90 0.72 -0.72 0.92 3.57 -0.93 -2.07 116.94 119.33 1q53 h PHE 89 Ca 0.24 -0.40 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 1q53 h PHE 89 Cb -0.09 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1q53 h PHE 89 CO -0.02 1.22 0.25 0.00 -2.23 0.00 0.00 178.31 177.54 1q53 h ALA 90 N 0.33 1.09 -0.38 2.41 0.00 0.22 0.48 119.26 123.40 1q53 h ALA 90 Ca -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1q53 h ALA 90 Cb 1.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1q53 h ALA 90 CO 0.14 0.63 0.02 1.15 0.00 0.00 0.00 179.25 181.20 1q53 h THR 91 N 1.06 1.25 -0.33 0.00 2.02 0.94 1.15 112.91 119.01 1q53 h THR 91 Ca 0.24 -0.95 -0.12 0.00 0.77 0.00 0.00 66.41 66.35 1q53 h THR 91 Cb 0.25 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1q53 h THR 91 CO -0.01 0.32 -0.29 0.40 0.37 0.00 0.00 175.52 176.31 1q53 h ILE 92 N 0.48 1.28 -0.09 3.11 2.04 -1.00 -2.44 117.51 120.89 1q53 h ILE 92 Ca 0.11 -1.41 -0.14 0.00 1.00 0.00 0.00 64.86 64.42 1q53 h ILE 92 Cb 0.43 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1q53 h ILE 92 CO 0.01 0.46 -0.50 0.15 0.00 0.00 0.00 178.15 178.27 1q53 h PHE 93 N 0.58 0.68 -0.25 1.37 3.57 0.20 -3.04 116.94 120.06 1q53 h PHE 93 Ca 0.07 -0.31 0.07 0.00 3.53 0.00 0.00 57.97 61.34 1q53 h PHE 93 Cb 0.79 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1q53 h PHE 93 CO 0.04 1.08 0.21 -0.07 -2.23 0.00 0.00 178.31 177.34 1q53 h LEU 94 N 0.08 0.00 -1.83 0.59 3.38 0.14 0.28 115.31 117.96 1q53 h LEU 94 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1q53 h LEU 94 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1q53 h LEU 94 CO 0.10 0.00 -0.14 1.23 0.09 0.00 0.00 178.44 179.73 1q53 h GLY 95 N 0.00 0.00 -5.96 0.83 0.00 -1.31 -3.23 103.07 93.40 1q53 h GLY 95 Ca 0.12 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.90 1q53 h GLY 95 CO -0.00 0.00 -1.02 1.44 0.00 0.00 0.00 176.54 176.96 1q53 n SER 96 N -4.04 1.30 -4.35 0.19 7.64 0.97 -5.08 113.62 110.24 1q53 n SER 96 Ca -0.02 -2.99 -0.32 0.00 1.01 0.00 0.00 58.87 56.55 1q53 n SER 96 Cb 0.22 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.64 1q53 n SER 96 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1q53 s LEU 97 N -1.96 2.34 -0.13 -3.43 0.05 -1.06 -4.32 118.68 110.18 1q53 s LEU 97 Ca 0.39 -0.38 -0.07 0.00 0.05 0.00 0.00 54.13 54.11 1q53 s LEU 97 Cb 0.23 -1.45 -0.02 0.00 -2.05 0.00 0.00 46.19 42.90 1q53 s LEU 97 CO -0.09 0.28 -0.14 -0.78 -0.55 0.00 0.00 176.35 175.07 1q53 h ASP 98 N 5.78 0.00 -3.91 1.48 3.58 0.94 -3.43 116.42 120.85 1q53 h ASP 98 Ca -0.38 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.72 1q53 h ASP 98 Cb 1.16 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.06 1q53 h ASP 98 CO 0.49 0.68 -0.72 -0.54 -2.88 0.00 0.00 179.24 176.27 1q53 s LYS 99 N -2.08 1.07 -0.23 0.28 1.02 -1.20 -4.90 119.74 113.71 1q53 s LYS 99 Ca -0.12 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.40 1q53 s LYS 99 Cb 0.02 -0.70 0.12 0.00 -0.52 0.00 0.00 37.83 36.75 1q53 s LYS 99 CO 0.18 0.10 0.40 0.14 -0.92 0.00 0.00 175.35 175.24 1q53 s VAL 100 N -3.13 -0.64 -0.08 3.17 -7.23 -1.23 -2.93 120.40 108.33 1q53 s VAL 100 Ca 0.16 0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.36 1q53 s VAL 100 Cb 0.01 -0.76 0.02 0.00 0.56 0.00 0.00 36.38 36.21 1q53 s VAL 100 CO 0.01 -0.04 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.93 1q53 s LEU 101 N 2.58 1.27 -0.25 1.32 2.01 -0.38 -4.97 118.68 120.27 1q53 s LEU 101 Ca 0.08 -0.24 -0.08 0.00 0.01 0.00 0.00 54.13 53.90 1q53 s LEU 101 Cb -0.14 -0.71 -0.04 0.00 0.01 0.00 0.00 46.19 45.32 1q53 s LEU 101 CO -0.15 -0.07 0.09 -0.69 1.01 0.00 0.00 176.35 176.55 1q53 s VAL 102 N 1.28 4.60 -0.01 -1.59 1.01 -1.26 -1.22 120.40 123.20 1q53 s VAL 102 Ca -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1q53 s VAL 102 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1q53 s VAL 102 CO -0.03 0.34 0.11 -0.63 0.00 0.00 0.00 175.10 174.89 1q53 s ILE 103 N 1.46 0.05 0.11 2.22 -1.09 0.22 -5.02 121.20 119.16 1q53 s ILE 103 Ca 0.06 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 1q53 s ILE 103 Cb -0.15 -0.31 -0.04 0.00 -1.58 0.00 0.00 42.46 40.38 1q53 s ILE 103 CO 0.05 -0.24 0.08 -0.62 -1.23 0.00 0.00 174.94 172.98 1q53 s ASP 104 N -0.81 5.41 -0.23 3.58 -1.08 -1.26 0.20 116.67 122.49 1q53 s ASP 104 Ca -0.09 -0.09 0.01 0.00 -0.52 0.00 0.00 52.55 51.86 1q53 s ASP 104 Cb -0.05 -1.40 0.04 0.00 -1.46 0.00 0.00 42.92 40.04 1q53 s ASP 104 CO 0.01 0.13 -0.13 -0.47 0.52 0.00 0.00 175.17 175.23 1q53 s TYR 105 N -1.52 3.04 -0.25 -5.34 6.14 0.44 -4.77 117.35 115.09 1q53 s TYR 105 Ca 0.29 -1.91 0.01 0.00 0.64 0.00 0.00 57.07 56.10 1q53 s TYR 105 Cb -0.11 -1.95 0.07 0.00 0.42 0.00 0.00 41.96 40.38 1q53 s TYR 105 CO 0.22 -0.82 -0.03 0.21 0.64 0.00 0.00 175.55 175.77 1q53 s LYS 106 N 1.22 1.49 -0.13 4.97 2.47 -1.26 -2.15 119.74 126.35 1q53 s LYS 106 Ca -0.02 -1.06 -0.29 0.00 -1.56 0.00 0.00 55.97 53.04 1q53 s LYS 106 Cb -0.17 -2.57 -0.02 0.00 -1.46 0.00 0.00 37.83 33.61 1q53 s LYS 106 CO -0.08 -0.67 1.25 -1.25 0.16 0.00 0.00 175.35 174.77 1q53 s PRO 107 N 1.39 4.27 -0.23 4.03 0.04 -1.26 -5.00 135.00 138.23 1q53 s PRO 107 Ca -0.03 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 1q53 s PRO 107 Cb -0.19 -3.70 0.06 0.00 0.04 0.00 0.00 34.50 30.71 1q53 s PRO 107 CO -0.08 -0.63 -0.03 0.99 0.04 0.00 0.00 177.00 177.29 1q53 s THR 108 N 3.10 1.29 0.06 1.26 2.01 -1.26 -4.99 115.64 117.10 1q53 s THR 108 Ca 0.56 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1q53 s THR 108 Cb -0.23 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1q53 s THR 108 CO 0.17 -0.15 0.95 -0.44 -0.69 0.00 0.00 174.62 174.46 1q53 s SER 109 N 1.50 7.42 0.08 3.53 0.01 -1.26 -5.04 113.70 119.94 1q53 s SER 109 Ca -0.04 1.70 -0.12 0.00 1.31 0.00 0.00 55.95 58.81 1q53 s SER 109 Cb -0.18 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1q53 s SER 109 CO -0.07 -0.14 0.44 0.68 0.41 0.00 0.00 173.24 174.55 1q53 s VAL 110 N 0.44 5.03 -0.01 3.43 -7.23 -1.26 -5.04 120.40 115.76 1q53 s VAL 110 Ca 0.48 0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 60.96 1q53 s VAL 110 Cb -0.22 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 1q53 s VAL 110 CO 0.28 0.33 1.38 -0.94 -0.31 0.00 0.00 175.10 175.85 1q53 s SER 111 N -1.63 6.87 0.00 4.85 1.04 -1.26 -5.36 113.70 118.21 1q53 s SER 111 Ca 0.32 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1q53 s SER 111 Cb -0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1q53 s SER 111 CO 0.17 -0.71 0.13 0.00 0.98 0.00 0.00 173.24 173.81