#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 -0.74 0.51 1.61 0.15 -1.26 -5.13 113.70 108.84 1q53 s SER 2 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1q53 s SER 2 Cb 0.00 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1q53 s SER 2 CO 0.00 -0.14 0.00 1.41 1.20 0.00 0.00 173.24 175.71 1q53 n HIS 3 N 5.14 -4.06 -2.71 3.44 -0.00 -1.26 -5.05 115.22 110.72 1q53 n HIS 3 Ca -0.09 2.17 0.02 0.00 -0.00 0.00 0.00 57.72 59.82 1q53 n HIS 3 Cb 0.52 -3.35 0.01 0.00 -0.00 0.00 0.00 29.99 27.16 1q53 n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1q53 s MET 4 N -4.30 0.08 0.14 -0.41 -2.45 -1.26 -5.14 119.30 105.97 1q53 s MET 4 Ca 0.00 -0.03 -0.33 0.00 -1.25 0.00 0.00 55.69 54.08 1q53 s MET 4 Cb 0.00 0.01 -0.17 0.00 1.25 0.00 0.00 34.83 35.92 1q53 s MET 4 CO 0.00 -0.12 0.89 -1.91 1.05 0.00 0.00 175.02 174.93 1q53 n GLU 5 N 3.61 0.40 -3.59 4.11 4.07 -1.26 -4.91 120.64 123.07 1q53 n GLU 5 Ca 0.05 0.14 -0.39 0.00 -0.06 0.00 0.00 57.16 56.90 1q53 n GLU 5 Cb 0.64 -1.45 -0.11 0.00 -0.06 0.00 0.00 31.44 30.46 1q53 n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1q53 s GLU 6 N -0.56 3.55 -0.09 5.31 2.12 -1.26 -4.78 118.70 123.00 1q53 s GLU 6 Ca 0.74 -0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.42 1q53 s GLU 6 Cb -1.00 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 29.73 1q53 s GLU 6 CO 0.55 -0.37 0.13 0.00 -0.54 0.00 0.00 175.26 175.03 1q53 n ALA 7 N 5.05 -3.09 -0.00 6.30 0.00 -1.26 -5.00 120.51 122.52 1q53 n ALA 7 Ca -0.13 1.39 -0.00 0.00 0.00 0.00 0.00 53.44 54.69 1q53 n ALA 7 Cb 0.50 -2.86 -0.00 0.00 0.00 0.00 0.00 19.45 17.09 1q53 n ALA 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q53 h LYS 8 N 3.28 -0.01 0.00 0.00 1.79 -1.85 -3.41 116.57 116.37 1q53 h LYS 8 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1q53 h LYS 8 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1q53 h LYS 8 CO 0.00 -0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1q53 n GLY 9 N 1.74 -2.62 3.76 3.86 0.00 -1.26 -4.87 105.19 105.79 1q53 n GLY 9 Ca -0.00 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.58 4.63 -0.15 1.61 0.04 -1.26 -5.04 135.00 132.25 1q53 s PRO 10 Ca 0.00 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 1q53 s PRO 10 Cb 0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1q53 s PRO 10 CO 0.00 0.22 0.07 0.08 0.04 0.00 0.00 177.00 177.42 1q53 s VAL 11 N -1.20 4.89 -0.04 -0.36 1.01 -1.26 -4.70 120.40 118.74 1q53 s VAL 11 Ca 0.45 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1q53 s VAL 11 Cb -0.31 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1q53 s VAL 11 CO 0.39 0.52 -0.10 -0.54 0.00 0.00 0.00 175.10 175.37 1q53 s LYS 12 N -0.14 1.19 -0.27 2.72 1.02 -1.18 -2.85 119.74 120.24 1q53 s LYS 12 Ca 0.08 -0.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.57 1q53 s LYS 12 Cb -0.12 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 1q53 s LYS 12 CO 0.01 0.09 0.41 -1.58 -0.92 0.00 0.00 175.35 173.36 1q53 s HIS 13 N 0.37 3.25 -0.26 3.18 5.65 -1.16 0.18 115.29 126.50 1q53 s HIS 13 Ca -0.07 0.46 -0.12 0.00 0.25 0.00 0.00 55.06 55.58 1q53 s HIS 13 Cb -0.11 -2.62 -0.05 0.00 -1.18 0.00 0.00 32.58 28.62 1q53 s HIS 13 CO 0.01 -0.25 0.22 0.08 -0.65 0.00 0.00 174.74 174.16 1q53 s VAL 14 N 2.14 5.30 -0.10 0.89 1.01 0.16 -2.56 120.40 127.24 1q53 s VAL 14 Ca 0.17 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1q53 s VAL 14 Cb -0.16 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1q53 s VAL 14 CO 0.10 0.27 0.00 -0.22 0.00 0.00 0.00 175.10 175.25 1q53 s LEU 15 N 1.52 0.75 0.04 3.92 0.20 -1.03 -0.93 118.68 123.15 1q53 s LEU 15 Ca 0.09 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 54.69 1q53 s LEU 15 Cb -0.15 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.06 1q53 s LEU 15 CO 0.08 -0.21 0.07 -1.48 -0.29 0.00 0.00 176.35 174.53 1q53 s LEU 16 N 1.93 3.82 -0.11 -0.68 2.34 -0.94 -0.70 118.68 124.34 1q53 s LEU 16 Ca 0.04 0.06 -0.14 0.00 0.06 0.00 0.00 54.13 54.14 1q53 s LEU 16 Cb -0.13 -2.36 0.03 0.00 -0.56 0.00 0.00 46.19 43.17 1q53 s LEU 16 CO -0.06 0.22 0.37 0.00 -1.06 0.00 0.00 176.35 175.82 1q53 s ALA 17 N -1.28 -0.91 -0.01 1.48 0.00 -1.19 -2.23 121.76 117.62 1q53 s ALA 17 Ca 0.26 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.15 1q53 s ALA 17 Cb -0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1q53 s ALA 17 CO 0.18 -0.20 -0.17 -1.12 0.00 0.00 0.00 175.76 174.44 1q53 s SER 18 N -0.23 2.00 -0.28 0.00 0.01 -0.77 -4.04 113.70 110.38 1q53 s SER 18 Ca -0.04 -0.31 -0.16 0.00 1.31 0.00 0.00 55.95 56.76 1q53 s SER 18 Cb -0.03 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 1q53 s SER 18 CO 0.02 0.21 0.40 -0.36 0.41 0.00 0.00 173.24 173.92 1q53 s PHE 19 N -0.40 3.24 0.91 2.43 0.08 -1.26 -0.02 117.98 122.95 1q53 s PHE 19 Ca 0.07 0.38 -0.17 0.00 0.12 0.00 0.00 56.93 57.32 1q53 s PHE 19 Cb -0.07 -2.63 -0.15 0.00 -0.57 0.00 0.00 43.02 39.60 1q53 s PHE 19 CO -0.01 -0.28 -0.69 1.63 -0.10 0.00 0.00 175.22 175.77 1q53 n LYS 20 N 5.40 0.00 -2.37 0.44 4.76 -1.26 -4.75 118.16 120.38 1q53 n LYS 20 Ca -0.08 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.93 1q53 n LYS 20 Cb 0.50 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 32.67 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1q53 s ASP 21 N -1.00 6.49 0.00 4.39 2.15 -1.26 -3.20 116.67 124.25 1q53 s ASP 21 Ca 0.43 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.44 1q53 s ASP 21 Cb -0.23 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1q53 s ASP 21 CO 0.80 -1.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 1q53 n GLY 22 N 4.71 1.98 3.81 2.66 0.00 -1.26 -5.13 105.19 111.96 1q53 n GLY 22 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 5.18 0.34 1.61 1.01 -1.19 -5.07 120.40 120.28 1q53 s VAL 23 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1q53 s VAL 23 Cb 0.00 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1q53 s VAL 23 CO 0.00 0.60 1.39 -0.44 0.00 0.00 0.00 175.10 176.65 1q53 s SER 24 N -0.82 6.59 0.13 3.32 0.01 -1.26 -4.93 113.70 116.74 1q53 s SER 24 Ca 0.13 2.84 -0.05 0.00 1.31 0.00 0.00 55.95 60.18 1q53 s SER 24 Cb -0.12 -2.66 -0.07 0.00 0.21 0.00 0.00 66.02 63.39 1q53 s SER 24 CO 0.03 -0.69 1.33 1.55 0.41 0.00 0.00 173.24 175.87 1q53 h PRO 25 N 3.34 0.46 -0.20 12.44 0.13 -2.00 -3.07 132.00 143.11 1q53 h PRO 25 Ca -0.49 -0.45 0.06 0.00 -0.87 0.00 0.00 66.00 64.24 1q53 h PRO 25 Cb 1.23 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1q53 h PRO 25 CO 0.66 1.10 0.16 1.49 -0.23 0.00 0.00 178.00 181.18 1q53 h GLU 26 N 0.28 0.00 -0.00 0.86 4.81 -2.00 0.14 114.58 118.67 1q53 h GLU 26 Ca -0.07 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 1q53 h GLU 26 Cb 1.50 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 1q53 h GLU 26 CO 0.16 0.00 -0.92 -0.22 -0.73 0.00 0.00 179.01 177.30 1q53 h LYS 27 N 0.00 0.37 -0.13 1.92 3.64 -1.93 -0.50 116.57 119.93 1q53 h LYS 27 Ca 0.09 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1q53 h LYS 27 Cb 0.41 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1q53 h LYS 27 CO -0.00 1.07 0.07 0.82 -2.27 0.00 0.00 179.45 179.14 1q53 h ILE 28 N 0.21 1.09 -0.36 2.00 2.04 -0.72 0.17 117.51 121.93 1q53 h ILE 28 Ca -0.07 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 1q53 h ILE 28 Cb 1.55 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1q53 h ILE 28 CO 0.16 0.08 -0.35 1.05 0.00 0.00 0.00 178.15 179.09 1q53 h GLU 29 N 0.12 0.83 -0.91 2.37 4.11 -1.36 -0.08 114.58 119.66 1q53 h GLU 29 Ca 0.05 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1q53 h GLU 29 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1q53 h GLU 29 CO -0.01 1.05 0.59 0.93 0.07 0.00 0.00 179.01 181.64 1q53 h GLU 30 N 0.69 1.22 -0.01 1.06 5.08 -0.78 1.12 114.58 122.96 1q53 h GLU 30 Ca 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1q53 h GLU 30 Cb 0.91 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1q53 h GLU 30 CO 0.08 0.82 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.82 1q53 h LEU 31 N 1.25 0.04 -1.64 1.33 4.07 -0.52 -1.57 115.31 118.26 1q53 h LEU 31 Ca 0.33 -0.59 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 1q53 h LEU 31 Cb -0.11 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1q53 h LEU 31 CO -0.07 0.63 0.15 0.40 -1.08 0.00 0.00 178.44 178.46 1q53 h ILE 32 N -0.54 1.10 -0.34 1.22 2.04 -0.74 0.62 117.51 120.86 1q53 h ILE 32 Ca -0.00 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1q53 h ILE 32 Cb 0.62 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1q53 h ILE 32 CO 0.01 0.11 -0.04 0.11 0.00 0.00 0.00 178.15 178.33 1q53 h LYS 33 N 0.39 0.63 -0.12 2.37 1.79 0.14 -2.22 116.57 119.55 1q53 h LYS 33 Ca 0.10 -0.22 -0.17 0.00 -2.18 0.00 0.00 60.65 58.18 1q53 h LYS 33 Cb 0.03 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1q53 h LYS 33 CO -0.02 0.77 -0.64 0.78 -1.08 0.00 0.00 179.45 179.27 1q53 h GLY 34 N 0.43 0.50 0.76 3.86 0.00 -0.23 -3.08 103.07 105.30 1q53 h GLY 34 Ca 0.09 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.80 1q53 h GLY 34 CO 0.03 0.57 -0.09 -1.82 0.00 0.00 0.00 176.54 175.23 1q53 h TYR 35 N 0.33 -0.22 -0.77 5.60 5.03 0.34 1.28 116.97 128.55 1q53 h TYR 35 Ca -0.01 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.40 1q53 h TYR 35 Cb 1.19 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.52 1q53 h TYR 35 CO 0.04 -0.14 0.50 0.00 -1.32 0.00 0.00 178.16 177.25 1q53 h ALA 36 N 0.85 1.78 -0.03 1.82 0.00 -1.43 0.44 119.26 122.69 1q53 h ALA 36 Ca 0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1q53 h ALA 36 Cb 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1q53 h ALA 36 CO -0.10 0.06 -0.99 -0.91 0.00 0.00 0.00 179.25 177.31 1q53 h ASN 37 N 0.70 0.92 0.23 0.00 4.21 -1.18 -3.04 115.58 117.42 1q53 h ASN 37 Ca 0.35 -0.71 -0.03 0.00 1.21 0.00 0.00 56.30 57.12 1q53 h ASN 37 Cb 0.44 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1q53 h ASN 37 CO -0.13 1.51 -0.16 -0.07 -1.29 0.00 0.00 177.43 177.29 1q53 h LEU 38 N 0.43 0.00 -0.61 1.61 3.38 0.33 0.21 115.31 120.66 1q53 h LEU 38 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1q53 h LEU 38 Cb 1.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 1q53 h LEU 38 CO 0.20 0.16 0.40 0.58 0.09 0.00 0.00 178.44 179.87 1q53 h VAL 39 N 0.00 1.16 -0.00 1.22 2.07 -0.09 -0.26 116.25 120.35 1q53 h VAL 39 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1q53 h VAL 39 Cb 0.32 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1q53 h VAL 39 CO 0.02 0.16 -0.32 -0.46 0.02 0.00 0.00 177.57 176.99 1q53 n ASN 40 N -4.65 0.75 0.10 0.57 6.94 -0.75 -3.68 115.26 114.54 1q53 n ASN 40 Ca 0.05 -0.59 -0.16 0.00 -0.02 0.00 0.00 54.58 53.85 1q53 n ASN 40 Cb 0.02 0.14 -0.11 0.00 -2.36 0.00 0.00 39.78 37.47 1q53 n ASN 40 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1q53 h LEU 41 N 0.67 0.52 0.00 -4.53 6.46 0.82 -3.40 115.31 115.86 1q53 h LEU 41 Ca 0.00 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1q53 h LEU 41 Cb 0.49 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1q53 h LEU 41 CO 0.00 1.37 0.00 -0.38 -0.62 0.00 0.00 178.44 178.81 1q53 n ILE 42 N -3.63 0.00 0.00 4.05 5.41 -0.25 -5.05 119.36 119.89 1q53 n ILE 42 Ca -0.09 0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1q53 n ILE 42 Cb 0.98 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1q53 n GLU 43 N -0.05 0.00 -1.38 0.38 1.02 -1.25 -5.03 120.64 114.33 1q53 n GLU 43 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1q53 n GLU 43 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1q53 n GLU 43 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1q53 n PRO 44 N 0.00 2.19 -2.82 3.49 -0.04 -1.26 -4.53 135.00 132.03 1q53 n PRO 44 Ca 0.00 -2.16 -0.03 0.00 -0.04 0.00 0.00 63.50 61.27 1q53 n PRO 44 Cb 0.00 -3.04 0.01 0.00 -0.04 0.00 0.00 33.50 30.42 1q53 n PRO 44 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1q53 s MET 45 N 4.03 0.99 0.09 0.54 -1.94 -1.26 -4.88 119.30 116.87 1q53 s MET 45 Ca 0.53 -0.90 -0.24 0.00 -1.71 0.00 0.00 55.69 53.37 1q53 s MET 45 Cb 0.14 -0.03 -0.08 0.00 2.01 0.00 0.00 34.83 36.87 1q53 s MET 45 CO 0.01 -1.24 1.39 -0.22 -0.01 0.00 0.00 175.02 174.95 1q53 h LYS 46 N 5.23 -0.30 -3.92 2.03 1.63 -1.80 -3.44 116.57 116.00 1q53 h LYS 46 Ca 0.05 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 1q53 h LYS 46 Cb 1.12 0.07 -0.16 0.00 -0.60 0.00 0.00 32.23 32.66 1q53 h LYS 46 CO 0.01 -0.20 -0.53 0.00 -3.45 0.00 0.00 179.45 175.28 1q53 s ALA 47 N -5.08 0.05 -0.34 5.00 0.00 -1.26 -5.03 121.76 115.10 1q53 s ALA 47 Ca -0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1q53 s ALA 47 Cb 0.06 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1q53 s ALA 47 CO 0.43 -0.38 0.16 0.12 0.00 0.00 0.00 175.76 176.10 1q53 s PHE 48 N -3.24 3.21 -0.12 0.00 5.36 -1.26 -3.29 117.98 118.64 1q53 s PHE 48 Ca 0.00 -0.87 -0.02 0.00 -0.96 0.00 0.00 56.93 55.08 1q53 s PHE 48 Cb 0.03 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1q53 s PHE 48 CO -0.08 -0.58 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.06 1q53 s HIS 49 N 1.55 3.03 0.15 10.12 3.76 -0.55 -5.01 115.29 128.34 1q53 s HIS 49 Ca 0.03 -0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.77 1q53 s HIS 49 Cb -0.18 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 1q53 s HIS 49 CO 0.06 0.18 0.21 1.67 -0.85 0.00 0.00 174.74 176.01 1q53 s TRP 50 N -0.24 0.50 -0.23 1.40 1.48 -1.26 0.19 118.94 120.78 1q53 s TRP 50 Ca 0.04 -0.87 -0.16 0.00 -1.06 0.00 0.00 56.10 54.05 1q53 s TRP 50 Cb -0.13 -0.17 0.07 0.00 -1.16 0.00 0.00 33.47 32.08 1q53 s TRP 50 CO 0.02 -0.65 0.57 0.20 -4.06 0.00 0.00 176.95 173.04 1q53 s GLY 51 N -2.98 -0.48 -0.04 3.67 0.00 -0.54 -4.94 107.32 102.01 1q53 s GLY 51 Ca 0.18 1.89 0.01 0.00 0.00 0.00 0.00 44.72 46.79 1q53 s GLY 51 CO -0.01 1.84 -0.04 -1.59 0.00 0.00 0.00 173.10 173.31 1q53 s LYS 52 N 1.09 2.77 0.09 2.90 -2.85 -1.26 -1.43 119.74 121.04 1q53 s LYS 52 Ca -0.06 -0.56 -0.36 0.00 -1.00 0.00 0.00 55.97 53.98 1q53 s LYS 52 Cb -0.06 -2.63 -0.18 0.00 -2.06 0.00 0.00 37.83 32.90 1q53 s LYS 52 CO -0.10 0.65 1.10 -0.40 0.10 0.00 0.00 175.35 176.70 1q53 n ASP 53 N 1.89 0.63 -4.93 0.03 5.68 -1.25 -4.93 116.55 113.68 1q53 n ASP 53 Ca -0.17 1.14 -0.26 0.00 -0.50 0.00 0.00 54.79 55.00 1q53 n ASP 53 Cb 0.53 -1.07 0.06 0.00 -1.14 0.00 0.00 41.12 39.50 1q53 n ASP 53 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1q53 s VAL 54 N -0.04 2.68 -1.10 2.12 -7.23 -1.26 -4.90 120.40 110.67 1q53 s VAL 54 Ca 0.82 -0.19 -0.26 0.00 -1.81 0.00 0.00 61.98 60.53 1q53 s VAL 54 Cb -1.04 -3.13 -0.19 0.00 0.56 0.00 0.00 36.38 32.58 1q53 s VAL 54 CO 0.53 -0.14 2.08 -0.44 -0.31 0.00 0.00 175.10 176.82 1q53 s SER 55 N -4.45 3.80 0.00 4.85 0.01 -1.26 -4.48 113.70 112.16 1q53 s SER 55 Ca 0.58 -1.11 0.15 0.00 1.31 0.00 0.00 55.95 56.88 1q53 s SER 55 Cb -0.11 -2.59 0.38 0.00 0.21 0.00 0.00 66.02 63.90 1q53 s SER 55 CO 0.45 -4.37 1.30 0.00 0.41 0.00 0.00 173.24 171.03 1q53 n ILE 56 N 8.75 0.86 -0.40 1.44 0.13 -1.26 -5.08 119.36 123.80 1q53 n ILE 56 Ca 0.42 -0.93 0.05 0.00 -1.10 0.00 0.00 62.75 61.19 1q53 n ILE 56 Cb 0.47 0.62 -0.03 0.00 -0.84 0.00 0.00 39.64 39.86 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1q53 n GLU 57 N 0.89 -0.92 -1.48 9.51 2.13 -1.26 -4.66 120.64 124.85 1q53 n GLU 57 Ca 0.15 0.74 -0.43 0.00 0.66 0.00 0.00 57.16 58.28 1q53 n GLU 57 Cb 0.48 -1.08 -0.14 0.00 0.27 0.00 0.00 31.44 30.96 1q53 n GLU 57 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1q53 n ASN 58 N -2.72 0.41 -2.68 4.31 6.94 -1.26 -4.59 115.26 115.67 1q53 n ASN 58 Ca -0.02 0.21 -0.06 0.00 -0.02 0.00 0.00 54.58 54.69 1q53 n ASN 58 Cb 0.19 -0.94 0.06 0.00 -2.36 0.00 0.00 39.78 36.73 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1q53 n LEU 59 N 10.35 -1.58 -3.81 -4.53 -0.00 -1.26 -5.14 117.00 111.02 1q53 n LEU 59 Ca 0.64 -2.70 -0.12 0.00 -0.00 0.00 0.00 56.01 53.83 1q53 n LEU 59 Cb 0.04 0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 43.85 1q53 n LEU 59 CO 0.93 1.58 -0.06 -1.38 -0.00 0.00 0.00 177.39 178.45 1q53 s HIS 60 N 0.13 -0.06 -1.81 1.96 -3.43 -1.26 -5.03 115.29 105.78 1q53 s HIS 60 Ca 0.14 0.03 0.24 0.00 -0.80 0.00 0.00 55.06 54.67 1q53 s HIS 60 Cb 0.25 0.03 0.26 0.00 -1.43 0.00 0.00 32.58 31.68 1q53 s HIS 60 CO -0.06 -0.37 1.25 1.04 -2.00 0.00 0.00 174.74 174.60 1q53 n GLN 61 N 1.21 0.93 0.00 -0.38 3.00 -1.26 -4.91 117.38 115.97 1q53 n GLN 61 Ca -0.21 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1q53 n GLN 61 Cb 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.32 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 1.40 0.83 0.15 1.08 0.00 -1.26 -5.06 105.19 102.33 1q53 n GLY 62 Ca 0.10 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 0.81 0.00 1.61 0.05 -1.91 -3.42 116.97 114.12 1q53 h TYR 63 Ca 0.00 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 58.19 1q53 h TYR 63 Cb 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1q53 h TYR 63 CO 0.00 1.65 0.00 2.41 -1.05 0.00 0.00 178.16 181.17 1q53 n THR 64 N -3.63 0.00 0.00 -2.88 -1.04 -1.26 -4.05 114.28 101.41 1q53 n THR 64 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1q53 n THR 64 Cb 1.09 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 1q53 n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q53 n HIS 65 N 0.00 0.00 -3.77 -1.42 -0.00 -1.26 -3.90 115.22 104.87 1q53 n HIS 65 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1q53 n HIS 65 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 1q53 n HIS 65 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1q53 s ILE 66 N -2.00 -0.06 -0.24 0.61 -5.25 -0.52 -3.17 121.20 110.57 1q53 s ILE 66 Ca 0.00 0.21 -0.09 0.00 -0.99 0.00 0.00 60.65 59.77 1q53 s ILE 66 Cb 0.00 -0.08 -0.04 0.00 2.95 0.00 0.00 42.46 45.28 1q53 s ILE 66 CO 0.00 0.09 0.13 -0.36 -1.79 0.00 0.00 174.94 173.01 1q53 s PHE 67 N 1.03 3.23 -0.10 1.37 0.08 0.13 -1.47 117.98 122.24 1q53 s PHE 67 Ca -0.09 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 56.98 1q53 s PHE 67 Cb -0.12 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1q53 s PHE 67 CO -0.03 -0.06 0.01 -1.21 -0.10 0.00 0.00 175.22 173.84 1q53 s GLU 68 N 1.20 3.18 -0.12 0.44 2.02 0.51 -2.46 118.70 123.47 1q53 s GLU 68 Ca 0.06 -0.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.65 1q53 s GLU 68 Cb -0.14 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1q53 s GLU 68 CO 0.05 0.61 -0.11 0.45 0.02 0.00 0.00 175.26 176.28 1q53 s SER 69 N -0.63 4.21 -0.11 -0.19 0.15 -1.06 -1.48 113.70 114.60 1q53 s SER 69 Ca 0.10 -0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 1q53 s SER 69 Cb -0.12 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1q53 s SER 69 CO 0.02 0.20 1.04 0.42 1.20 0.00 0.00 173.24 176.12 1q53 s THR 70 N 0.13 4.70 0.34 6.45 -4.23 -1.21 -2.96 115.64 118.87 1q53 s THR 70 Ca -0.05 1.98 0.03 0.00 -1.18 0.00 0.00 61.69 62.47 1q53 s THR 70 Cb -0.15 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 1q53 s THR 70 CO 0.04 -0.01 0.11 -0.36 -0.54 0.00 0.00 174.62 173.86 1q53 s PHE 71 N 2.16 1.77 -0.16 3.99 0.08 -1.13 -4.01 117.98 120.67 1q53 s PHE 71 Ca 0.49 -1.19 0.06 0.00 0.12 0.00 0.00 56.93 56.41 1q53 s PHE 71 Cb -0.19 -1.10 0.19 0.00 -0.57 0.00 0.00 43.02 41.35 1q53 s PHE 71 CO 0.17 -0.26 1.26 -0.85 -0.10 0.00 0.00 175.22 175.44 1q53 n GLU 72 N -0.72 0.64 0.00 0.44 0.28 -1.26 -4.19 120.64 115.83 1q53 n GLU 72 Ca -0.03 -1.10 0.00 0.00 -0.16 0.00 0.00 57.16 55.87 1q53 n GLU 72 Cb 0.66 0.47 0.00 0.00 1.43 0.00 0.00 31.44 33.99 1q53 n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1q53 n SER 73 N -0.73 0.00 -0.32 -1.84 2.88 -1.26 -4.73 113.62 107.61 1q53 n SER 73 Ca -0.23 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.42 1q53 n SER 73 Cb 0.78 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.78 -0.63 -1.46 2.10 -1.99 0.28 116.57 115.65 1q53 h LYS 74 Ca 0.00 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.55 1q53 h LYS 74 Cb 0.00 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.13 1q53 h LYS 74 CO 0.00 0.52 0.19 0.93 -2.00 0.00 0.00 179.45 179.08 1q53 h GLU 75 N 0.80 0.97 -0.42 0.07 5.08 -1.99 -0.61 114.58 118.48 1q53 h GLU 75 Ca 0.50 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1q53 h GLU 75 Cb 0.72 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1q53 h GLU 75 CO -0.27 0.84 -0.14 0.00 -1.00 0.00 0.00 179.01 178.43 1q53 h ALA 76 N 1.27 0.97 -0.04 3.43 0.00 -0.93 -1.81 119.26 122.15 1q53 h ALA 76 Ca 0.21 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1q53 h ALA 76 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1q53 h ALA 76 CO -0.01 0.61 -0.38 0.28 0.00 0.00 0.00 179.25 179.75 1q53 h VAL 77 N 0.69 1.28 -0.15 0.00 2.07 -0.38 -0.03 116.25 119.73 1q53 h VAL 77 Ca 0.11 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1q53 h VAL 77 Cb 0.63 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1q53 h VAL 77 CO 0.04 0.40 -0.03 0.00 0.02 0.00 0.00 177.57 178.00 1q53 h ALA 78 N 1.55 0.21 -0.24 1.67 0.00 -0.48 -1.89 119.26 120.08 1q53 h ALA 78 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1q53 h ALA 78 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1q53 h ALA 78 CO 0.05 -0.04 -0.21 0.93 0.00 0.00 0.00 179.25 179.99 1q53 h GLU 79 N -0.00 0.43 -0.38 0.00 4.39 -1.10 -0.78 114.58 117.14 1q53 h GLU 79 Ca 0.04 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1q53 h GLU 79 Cb 0.46 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1q53 h GLU 79 CO 0.01 0.62 0.21 -0.92 -1.16 0.00 0.00 179.01 177.77 1q53 h TYR 80 N 0.39 0.52 -0.01 4.33 3.20 -0.82 -2.23 116.97 122.35 1q53 h TYR 80 Ca 0.06 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 1q53 h TYR 80 Cb 0.59 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1q53 h TYR 80 CO 0.02 0.40 -0.58 0.82 -1.64 0.00 0.00 178.16 177.18 1q53 h ILE 81 N 0.48 1.41 -0.76 1.81 2.04 -1.14 -2.93 117.51 118.42 1q53 h ILE 81 Ca 0.13 -1.97 -0.45 0.00 1.00 0.00 0.00 64.86 63.57 1q53 h ILE 81 Cb 0.06 2.05 -0.19 0.00 -0.74 0.00 0.00 36.82 38.00 1q53 h ILE 81 CO -0.02 0.57 0.55 0.00 0.00 0.00 0.00 178.15 179.24 1q53 n ALA 82 N -2.44 5.69 -2.62 1.87 0.00 -0.32 -4.83 120.51 117.87 1q53 n ALA 82 Ca -0.01 -2.42 -0.34 0.00 0.00 0.00 0.00 53.44 50.67 1q53 n ALA 82 Cb 0.58 -1.62 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.37 2.93 0.18 0.00 5.04 -1.03 -4.90 115.29 115.15 1q53 s HIS 83 Ca 0.44 -0.02 0.02 0.00 -1.54 0.00 0.00 55.06 53.96 1q53 s HIS 83 Cb 0.34 -1.73 0.04 0.00 0.04 0.00 0.00 32.58 31.27 1q53 s HIS 83 CO -0.06 0.29 1.41 -1.00 -2.34 0.00 0.00 174.74 173.04 1q53 h PRO 84 N 5.39 0.25 -0.42 2.88 0.13 -1.90 -0.50 132.00 137.83 1q53 h PRO 84 Ca -0.47 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1q53 h PRO 84 Cb 1.17 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1q53 h PRO 84 CO 0.53 0.93 0.23 0.00 -0.23 0.00 0.00 178.00 179.47 1q53 h ALA 85 N 0.99 0.54 -0.12 -0.56 0.00 -1.95 0.96 119.26 119.11 1q53 h ALA 85 Ca -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1q53 h ALA 85 Cb 1.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1q53 h ALA 85 CO 0.13 0.05 -0.77 1.25 0.00 0.00 0.00 179.25 179.91 1q53 h HIS 86 N 0.54 0.85 -0.03 0.00 -0.00 -1.87 -2.46 115.15 112.18 1q53 h HIS 86 Ca 0.15 -0.38 -0.00 0.00 -0.00 0.00 0.00 60.37 60.14 1q53 h HIS 86 Cb 0.04 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1q53 h HIS 86 CO -0.03 1.18 0.01 0.28 -0.00 0.00 0.00 177.93 179.38 1q53 h VAL 87 N 0.42 1.15 -0.92 5.26 2.07 -0.71 1.34 116.25 124.86 1q53 h VAL 87 Ca -0.05 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1q53 h VAL 87 Cb 1.37 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 1q53 h VAL 87 CO 0.15 0.12 0.57 -0.08 0.02 0.00 0.00 177.57 178.34 1q53 h GLU 88 N -0.12 0.94 0.00 1.57 4.57 0.93 0.60 114.58 123.07 1q53 h GLU 88 Ca 0.01 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 1q53 h GLU 88 Cb 0.18 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1q53 h GLU 88 CO -0.00 0.62 -0.72 0.35 -1.18 0.00 0.00 179.01 178.08 1q53 h PHE 89 N 0.97 0.72 -0.76 0.92 3.57 -1.11 -2.74 116.94 118.51 1q53 h PHE 89 Ca 0.43 -0.39 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1q53 h PHE 89 Cb 0.33 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1q53 h PHE 89 CO -0.03 1.22 0.50 0.00 -2.23 0.00 0.00 178.31 177.77 1q53 h ALA 90 N 0.34 0.97 -0.81 2.41 0.00 0.24 -1.38 119.26 121.02 1q53 h ALA 90 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1q53 h ALA 90 Cb 1.42 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1q53 h ALA 90 CO 0.14 0.35 0.47 1.15 0.00 0.00 0.00 179.25 181.36 1q53 h THR 91 N 1.00 1.23 -0.85 0.00 2.02 0.15 0.67 112.91 117.14 1q53 h THR 91 Ca 0.28 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1q53 h THR 91 Cb -0.08 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.40 1q53 h THR 91 CO -0.07 0.25 0.55 0.40 0.37 0.00 0.00 175.52 177.01 1q53 h ILE 92 N 1.11 1.22 -0.26 3.11 1.08 -1.02 -1.99 117.51 120.77 1q53 h ILE 92 Ca 0.29 -0.42 -0.11 0.00 -0.39 0.00 0.00 64.86 64.23 1q53 h ILE 92 Cb -0.02 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.72 1q53 h ILE 92 CO -0.05 0.22 -0.26 0.15 -0.69 0.00 0.00 178.15 177.52 1q53 h PHE 93 N 1.15 0.76 -0.26 1.37 3.04 -0.38 -2.76 116.94 119.87 1q53 h PHE 93 Ca 0.31 -0.23 0.07 0.00 3.98 0.00 0.00 57.97 62.10 1q53 h PHE 93 Cb -0.11 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 1q53 h PHE 93 CO 0.00 0.95 0.24 -0.07 -2.02 0.00 0.00 178.31 177.41 1q53 h LEU 94 N 0.36 0.00 -1.30 0.59 3.38 -0.33 0.18 115.31 118.19 1q53 h LEU 94 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1q53 h LEU 94 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1q53 h LEU 94 CO 0.06 0.00 0.36 1.23 0.09 0.00 0.00 178.44 180.18 1q53 h GLY 95 N 0.00 0.89 -5.45 0.83 0.00 -1.07 -3.23 103.07 95.05 1q53 h GLY 95 Ca 0.12 -0.37 -0.44 0.00 0.00 0.00 0.00 47.33 46.64 1q53 h GLY 95 CO -0.00 0.36 -1.14 1.44 0.00 0.00 0.00 176.54 177.19 1q53 n SER 96 N -4.40 1.51 -4.36 0.19 7.64 0.42 -5.08 113.62 109.54 1q53 n SER 96 Ca 0.06 -2.96 -0.32 0.00 1.01 0.00 0.00 58.87 56.66 1q53 n SER 96 Cb 0.08 -0.57 -0.15 0.00 -1.01 0.00 0.00 64.21 62.56 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 -2.85 2.38 -0.08 -3.43 0.20 0.10 -4.55 118.68 110.45 1q53 s LEU 97 Ca 0.35 -0.38 -0.11 0.00 0.69 0.00 0.00 54.13 54.69 1q53 s LEU 97 Cb 0.40 -1.46 -0.07 0.00 -0.43 0.00 0.00 46.19 44.62 1q53 s LEU 97 CO -0.04 0.28 0.40 -0.78 -0.29 0.00 0.00 176.35 175.92 1q53 h ASP 98 N 5.83 -0.18 -5.03 3.68 3.58 -0.77 -3.46 116.42 120.07 1q53 h ASP 98 Ca -0.37 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 56.87 1q53 h ASP 98 Cb 1.16 0.05 -0.17 0.00 1.72 0.00 0.00 39.33 42.09 1q53 h ASP 98 CO 0.49 0.35 -0.09 -0.54 -2.88 0.00 0.00 179.24 176.58 1q53 s LYS 99 N -2.47 0.93 -0.11 0.28 1.02 -1.23 -4.98 119.74 113.19 1q53 s LYS 99 Ca -0.06 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 1q53 s LYS 99 Cb 0.00 0.42 0.04 0.00 -0.52 0.00 0.00 37.83 37.76 1q53 s LYS 99 CO 0.21 -0.32 0.29 0.54 -0.92 0.00 0.00 175.35 175.15 1q53 s VAL 100 N -2.41 -0.01 -0.07 3.17 0.11 -1.26 -1.85 120.40 118.08 1q53 s VAL 100 Ca -0.06 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1q53 s VAL 100 Cb -0.01 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1q53 s VAL 100 CO -0.02 0.02 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.94 1q53 s LEU 101 N 0.52 1.24 -0.29 2.54 2.01 -0.94 -4.99 118.68 118.76 1q53 s LEU 101 Ca -0.03 -0.21 -0.09 0.00 0.01 0.00 0.00 54.13 53.81 1q53 s LEU 101 Cb -0.04 -0.64 -0.02 0.00 0.01 0.00 0.00 46.19 45.49 1q53 s LEU 101 CO -0.03 -0.07 0.14 0.54 1.01 0.00 0.00 176.35 177.94 1q53 s VAL 102 N 1.24 4.72 0.00 -1.59 0.11 -1.26 -2.22 120.40 121.40 1q53 s VAL 102 Ca -0.05 -0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1q53 s VAL 102 Cb -0.14 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1q53 s VAL 102 CO -0.02 0.17 0.13 -0.63 -3.33 0.00 0.00 175.10 171.42 1q53 s ILE 103 N 1.65 0.08 0.26 7.04 -1.09 -0.11 -5.05 121.20 123.99 1q53 s ILE 103 Ca 0.06 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 1q53 s ILE 103 Cb -0.16 -0.42 -0.03 0.00 -1.58 0.00 0.00 42.46 40.27 1q53 s ILE 103 CO 0.07 -0.38 0.41 -0.62 -1.23 0.00 0.00 174.94 173.19 1q53 s ASP 104 N -1.36 6.32 -0.25 3.58 2.15 -1.26 0.39 116.67 126.24 1q53 s ASP 104 Ca -0.15 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.08 1q53 s ASP 104 Cb -0.08 -1.93 0.05 0.00 -0.30 0.00 0.00 42.92 40.66 1q53 s ASP 104 CO 0.01 -0.12 -0.12 -0.47 -0.17 0.00 0.00 175.17 174.30 1q53 s TYR 105 N -2.05 3.16 -0.26 -5.34 6.14 0.13 -4.78 117.35 114.35 1q53 s TYR 105 Ca 0.36 -2.12 0.01 0.00 0.64 0.00 0.00 57.07 55.96 1q53 s TYR 105 Cb -0.10 -1.95 0.07 0.00 0.42 0.00 0.00 41.96 40.41 1q53 s TYR 105 CO 0.31 -0.85 -0.00 0.21 0.64 0.00 0.00 175.55 175.85 1q53 s LYS 106 N 1.16 1.39 -0.68 4.97 2.36 -1.26 -3.10 119.74 124.58 1q53 s LYS 106 Ca -0.05 -1.13 -0.27 0.00 -2.55 0.00 0.00 55.97 51.97 1q53 s LYS 106 Cb -0.18 -2.56 0.01 0.00 -1.05 0.00 0.00 37.83 34.04 1q53 s LYS 106 CO -0.06 -0.73 1.57 -1.25 1.55 0.00 0.00 175.35 176.42 1q53 s PRO 107 N 1.38 2.91 -0.40 4.03 0.04 -1.26 -4.96 135.00 136.74 1q53 s PRO 107 Ca 0.00 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 1q53 s PRO 107 Cb -0.19 -4.29 0.01 0.00 0.04 0.00 0.00 34.50 30.08 1q53 s PRO 107 CO -0.10 -2.44 0.29 0.99 0.04 0.00 0.00 177.00 175.78 1q53 s THR 108 N 7.38 5.26 0.19 1.26 2.01 -1.26 -5.04 115.64 125.43 1q53 s THR 108 Ca 0.51 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1q53 s THR 108 Cb -0.10 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 1q53 s THR 108 CO 0.18 -0.26 0.91 -0.44 -0.69 0.00 0.00 174.62 174.31 1q53 s SER 109 N 1.69 7.55 -0.03 3.53 0.01 -1.26 -5.05 113.70 120.13 1q53 s SER 109 Ca 0.05 1.83 0.01 0.00 1.31 0.00 0.00 55.95 59.15 1q53 s SER 109 Cb -0.19 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 1q53 s SER 109 CO 0.10 0.11 -0.01 -0.69 0.41 0.00 0.00 173.24 173.16 1q53 s VAL 110 N -0.85 4.12 -0.08 3.43 1.01 -1.26 -5.07 120.40 121.70 1q53 s VAL 110 Ca 0.41 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1q53 s VAL 110 Cb -0.25 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1q53 s VAL 110 CO 0.30 0.47 1.45 -0.44 0.00 0.00 0.00 175.10 176.88 1q53 s SER 111 N -1.27 6.81 0.00 3.32 0.01 -1.26 -5.36 113.70 115.95 1q53 s SER 111 Ca 0.17 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1q53 s SER 111 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1q53 s SER 111 CO 0.07 -0.81 0.42 0.00 0.41 0.00 0.00 173.24 173.33