#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 -4.01 -3.59 1.61 2.88 -1.26 -5.15 113.62 104.10 1q53 n SER 2 Ca 0.00 0.90 -0.16 0.00 -1.33 0.00 0.00 58.87 58.27 1q53 n SER 2 Cb 0.00 3.75 -0.07 0.00 -0.75 0.00 0.00 64.21 67.14 1q53 n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1q53 s HIS 3 N -2.00 -0.62 0.11 0.66 0.09 -1.26 -5.18 115.29 107.10 1q53 s HIS 3 Ca 0.00 1.20 -0.26 0.00 -0.00 0.00 0.00 55.06 56.00 1q53 s HIS 3 Cb 0.00 0.32 0.08 0.00 -0.00 0.00 0.00 32.58 32.98 1q53 s HIS 3 CO 0.00 -0.50 1.05 -1.64 -0.00 0.00 0.00 174.74 173.65 1q53 s MET 4 N -0.75 1.00 0.84 1.40 1.00 -1.26 -5.17 119.30 116.35 1q53 s MET 4 Ca -0.08 -0.56 -0.12 0.00 0.00 0.00 0.00 55.69 54.94 1q53 s MET 4 Cb -0.02 0.34 0.10 0.00 0.00 0.00 0.00 34.83 35.24 1q53 s MET 4 CO 0.07 -0.46 1.12 -2.00 0.00 0.00 0.00 175.02 173.75 1q53 s GLU 5 N -3.02 1.71 -0.30 2.03 2.12 -1.26 -5.00 118.70 114.98 1q53 s GLU 5 Ca 0.13 0.41 -0.24 0.00 0.36 0.00 0.00 54.97 55.63 1q53 s GLU 5 Cb 0.00 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.50 1q53 s GLU 5 CO 0.01 -1.83 0.83 -1.21 -0.54 0.00 0.00 175.26 172.52 1q53 s GLU 6 N -5.28 3.99 0.00 4.30 2.02 -1.26 -4.81 118.70 117.67 1q53 s GLU 6 Ca 0.62 0.68 0.00 0.00 0.02 0.00 0.00 54.97 56.29 1q53 s GLU 6 Cb -0.14 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1q53 s GLU 6 CO 0.53 -0.69 0.00 0.00 0.02 0.00 0.00 175.26 175.12 1q53 n ALA 7 N 6.27 0.00 -0.04 5.21 0.00 -1.26 -5.06 120.51 125.63 1q53 n ALA 7 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1q53 n ALA 7 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1q53 n ALA 7 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1q53 h LYS 8 N 0.00 -0.11 -2.53 0.00 3.64 -1.98 -3.47 116.57 112.12 1q53 h LYS 8 Ca 0.00 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.69 1q53 h LYS 8 Cb 0.00 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 1q53 h LYS 8 CO 0.00 -0.08 -0.43 0.41 -2.27 0.00 0.00 179.45 177.09 1q53 n GLY 9 N -1.11 -1.50 0.18 5.01 0.00 -1.26 -5.01 105.19 101.50 1q53 n GLY 9 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 1q53 n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q53 n PRO 10 N -3.44 -0.58 -3.66 1.61 -0.04 -1.26 -5.12 135.00 122.51 1q53 n PRO 10 Ca 0.00 -0.09 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 1q53 n PRO 10 Cb 0.63 -0.07 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 1q53 n PRO 10 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q53 s VAL 11 N -1.12 5.30 -0.16 0.52 1.01 -1.26 -4.88 120.40 119.81 1q53 s VAL 11 Ca 0.04 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 1q53 s VAL 11 Cb -0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1q53 s VAL 11 CO 0.03 0.53 0.17 -0.54 0.00 0.00 0.00 175.10 175.28 1q53 s LYS 12 N -0.53 3.92 -0.21 2.72 1.02 -0.79 -4.15 119.74 121.71 1q53 s LYS 12 Ca 0.18 -0.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.99 1q53 s LYS 12 Cb -0.14 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1q53 s LYS 12 CO 0.06 0.48 -0.00 -1.58 -0.92 0.00 0.00 175.35 173.40 1q53 s HIS 13 N -0.19 3.02 -0.28 3.18 5.65 -1.24 -0.11 115.29 125.32 1q53 s HIS 13 Ca 0.12 -0.59 -0.12 0.00 0.25 0.00 0.00 55.06 54.72 1q53 s HIS 13 Cb -0.12 -2.12 -0.04 0.00 -1.18 0.00 0.00 32.58 29.12 1q53 s HIS 13 CO 0.02 -0.35 0.25 0.08 -0.65 0.00 0.00 174.74 174.08 1q53 s VAL 14 N 1.25 5.27 0.02 0.89 1.01 -0.15 -3.61 120.40 125.09 1q53 s VAL 14 Ca 0.04 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1q53 s VAL 14 Cb -0.15 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1q53 s VAL 14 CO 0.01 0.20 -0.08 -0.22 0.00 0.00 0.00 175.10 175.01 1q53 s LEU 15 N 1.85 2.14 -0.01 3.92 0.20 -1.16 -1.28 118.68 124.35 1q53 s LEU 15 Ca 0.09 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.60 1q53 s LEU 15 Cb -0.16 -0.31 -0.01 0.00 -0.43 0.00 0.00 46.19 45.28 1q53 s LEU 15 CO 0.11 -0.04 -0.14 -0.22 -0.29 0.00 0.00 176.35 175.76 1q53 s LEU 16 N -0.92 2.04 -0.03 -0.68 2.96 -1.06 -0.87 118.68 120.13 1q53 s LEU 16 Ca -0.03 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1q53 s LEU 16 Cb -0.06 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.90 1q53 s LEU 16 CO 0.00 0.16 0.09 0.00 -1.32 0.00 0.00 176.35 175.29 1q53 s ALA 17 N -0.40 -0.22 -0.00 5.97 0.00 -1.22 -2.36 121.76 123.54 1q53 s ALA 17 Ca 0.05 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1q53 s ALA 17 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1q53 s ALA 17 CO -0.00 -0.07 -0.17 -1.12 0.00 0.00 0.00 175.76 174.40 1q53 s SER 18 N -0.18 1.99 -0.36 0.00 0.01 -0.59 -4.22 113.70 110.35 1q53 s SER 18 Ca -0.02 -0.33 -0.19 0.00 1.31 0.00 0.00 55.95 56.72 1q53 s SER 18 Cb -0.02 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 1q53 s SER 18 CO 0.00 0.19 0.53 -0.36 0.41 0.00 0.00 173.24 174.02 1q53 s PHE 19 N -0.46 3.17 1.15 2.43 0.08 -1.26 -1.33 117.98 121.76 1q53 s PHE 19 Ca 0.06 0.17 -0.17 0.00 0.12 0.00 0.00 56.93 57.11 1q53 s PHE 19 Cb -0.07 -2.98 0.17 0.00 -0.57 0.00 0.00 43.02 39.58 1q53 s PHE 19 CO -0.00 -0.57 0.29 0.36 -0.10 0.00 0.00 175.22 175.19 1q53 n LYS 20 N 5.81 -2.12 -3.18 0.44 2.85 -1.26 -4.84 118.16 115.86 1q53 n LYS 20 Ca -0.04 -0.60 -0.41 0.00 -1.05 0.00 0.00 58.31 56.20 1q53 n LYS 20 Cb 0.49 -1.79 -0.07 0.00 -0.65 0.00 0.00 35.03 33.01 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1q53 s ASP 21 N -2.04 6.41 0.00 -5.58 2.15 -1.26 -3.83 116.67 112.53 1q53 s ASP 21 Ca 0.58 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1q53 s ASP 21 Cb -0.14 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1q53 s ASP 21 CO 0.63 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.78 1q53 n GLY 22 N 4.58 0.61 3.69 2.66 0.00 -1.26 -5.11 105.19 110.36 1q53 n GLY 22 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1q53 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q53 s VAL 23 N -0.99 4.98 0.56 1.61 1.01 -1.25 -5.02 120.40 121.31 1q53 s VAL 23 Ca 0.00 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1q53 s VAL 23 Cb 0.00 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1q53 s VAL 23 CO 0.00 0.15 0.78 -1.20 0.00 0.00 0.00 175.10 174.82 1q53 n SER 24 N 4.51 0.03 0.04 3.32 7.64 -1.26 -4.89 113.62 123.01 1q53 n SER 24 Ca 0.01 0.80 -0.16 0.00 1.01 0.00 0.00 58.87 60.54 1q53 n SER 24 Cb 0.50 -1.29 -0.06 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.50 0.58 -0.05 1.43 0.13 -2.00 -2.75 132.00 129.83 1q53 h PRO 25 Ca -0.47 -0.57 -0.05 0.00 -0.87 0.00 0.00 66.00 64.05 1q53 h PRO 25 Cb 1.38 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.64 1q53 h PRO 25 CO 0.50 1.19 -0.21 1.05 -0.23 0.00 0.00 178.00 180.29 1q53 h GLU 26 N 0.35 0.09 -0.18 0.86 4.11 -2.00 -2.09 114.58 115.73 1q53 h GLU 26 Ca -0.08 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.13 1q53 h GLU 26 Cb 1.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1q53 h GLU 26 CO 0.17 0.30 -0.67 -0.22 0.07 0.00 0.00 179.01 178.66 1q53 h LYS 27 N 0.08 0.69 0.00 1.06 1.63 -1.92 -0.64 116.57 117.48 1q53 h LYS 27 Ca 0.01 -0.50 0.01 0.00 -0.85 0.00 0.00 60.65 59.33 1q53 h LYS 27 Cb 0.43 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 1q53 h LYS 27 CO 0.03 1.12 -0.08 0.82 -3.45 0.00 0.00 179.45 177.89 1q53 h ILE 28 N 0.49 0.78 -0.47 2.00 2.04 -1.09 0.12 117.51 121.39 1q53 h ILE 28 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1q53 h ILE 28 Cb 1.27 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1q53 h ILE 28 CO 0.13 0.00 -0.04 1.05 0.00 0.00 0.00 178.15 179.30 1q53 h GLU 29 N -0.15 0.81 -0.36 2.37 4.11 -1.43 -1.94 114.58 117.98 1q53 h GLU 29 Ca 0.03 -0.24 0.02 0.00 0.07 0.00 0.00 59.36 59.25 1q53 h GLU 29 Cb 0.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1q53 h GLU 29 CO -0.08 0.84 0.19 0.93 0.07 0.00 0.00 179.01 180.95 1q53 h GLU 30 N 0.75 0.38 -0.16 1.06 5.08 -0.45 1.16 114.58 122.40 1q53 h GLU 30 Ca 0.14 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1q53 h GLU 30 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1q53 h GLU 30 CO 0.03 0.25 0.09 1.25 -1.00 0.00 0.00 179.01 179.62 1q53 h LEU 31 N 0.39 0.19 -1.07 1.33 6.46 -0.55 0.77 115.31 122.84 1q53 h LEU 31 Ca 0.15 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1q53 h LEU 31 Cb 0.05 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1q53 h LEU 31 CO -0.10 0.22 0.23 0.40 -0.62 0.00 0.00 178.44 178.58 1q53 h ILE 32 N 0.15 1.22 -0.15 4.05 2.04 -0.90 0.37 117.51 124.30 1q53 h ILE 32 Ca 0.05 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1q53 h ILE 32 Cb 0.07 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1q53 h ILE 32 CO -0.01 0.28 -0.03 0.11 0.00 0.00 0.00 178.15 178.49 1q53 h LYS 33 N 0.88 0.29 -0.32 2.37 1.79 0.20 -3.16 116.57 118.61 1q53 h LYS 33 Ca 0.21 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1q53 h LYS 33 Cb 0.19 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1q53 h LYS 33 CO -0.02 0.57 0.16 0.78 -1.08 0.00 0.00 179.45 179.86 1q53 h GLY 34 N -0.01 0.50 -0.92 3.86 0.00 0.97 -2.72 103.07 104.73 1q53 h GLY 34 Ca 0.04 -0.24 0.36 0.00 0.00 0.00 0.00 47.33 47.49 1q53 h GLY 34 CO 0.01 0.23 0.41 2.98 0.00 0.00 0.00 176.54 180.17 1q53 n TYR 35 N -4.76 0.99 -0.04 5.60 4.19 0.13 0.19 117.16 123.45 1q53 n TYR 35 Ca -0.01 1.10 -0.14 0.00 3.31 0.00 0.00 57.90 62.16 1q53 n TYR 35 Cb 0.10 -1.44 -0.08 0.00 0.49 0.00 0.00 39.34 38.41 1q53 n TYR 35 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1q53 h ALA 36 N 1.85 0.15 -0.54 2.98 0.00 -1.52 -1.37 119.26 120.81 1q53 h ALA 36 Ca 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1q53 h ALA 36 Cb 1.90 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1q53 h ALA 36 CO -0.74 0.06 0.28 -0.97 0.00 0.00 0.00 179.25 177.87 1q53 h ASN 37 N -0.16 0.66 -0.53 0.00 -0.73 0.22 -1.46 115.58 113.58 1q53 h ASN 37 Ca 0.01 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.05 1q53 h ASN 37 Cb 0.73 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1q53 h ASN 37 CO 0.04 0.55 0.02 0.25 -0.37 0.00 0.00 177.43 177.92 1q53 h LEU 38 N 0.75 0.90 -1.84 0.34 5.85 0.19 -2.11 115.31 119.39 1q53 h LEU 38 Ca 0.19 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1q53 h LEU 38 Cb 0.04 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1q53 h LEU 38 CO -0.03 0.98 -0.03 0.58 -0.34 0.00 0.00 178.44 179.60 1q53 h VAL 39 N 0.80 1.05 0.00 1.05 2.07 -0.26 0.38 116.25 121.34 1q53 h VAL 39 Ca 0.15 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1q53 h VAL 39 Cb 0.50 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1q53 h VAL 39 CO 0.02 0.06 0.00 -3.20 0.02 0.00 0.00 177.57 174.48 1q53 n ASN 40 N -4.47 0.44 -0.09 0.57 5.15 -0.69 -3.30 115.26 112.87 1q53 n ASN 40 Ca -0.02 0.62 -0.12 0.00 -0.60 0.00 0.00 54.58 54.46 1q53 n ASN 40 Cb 0.13 -0.71 -0.04 0.00 -0.53 0.00 0.00 39.78 38.63 1q53 n ASN 40 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q53 n LEU 41 N -2.00 1.85 -4.50 1.20 4.77 0.11 -4.89 117.00 113.53 1q53 n LEU 41 Ca 0.02 0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.91 1q53 n LEU 41 Cb 0.18 -0.71 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 1q53 n LEU 41 CO 0.16 -0.14 2.22 -0.38 -1.33 0.00 0.00 177.39 177.91 1q53 n ILE 42 N -4.33 -0.00 -0.38 -0.08 2.08 0.25 -4.73 119.36 112.17 1q53 n ILE 42 Ca -0.20 -0.04 -0.02 0.00 0.56 0.00 0.00 62.75 63.05 1q53 n ILE 42 Cb 0.55 -0.57 0.02 0.00 -0.75 0.00 0.00 39.64 38.89 1q53 n ILE 42 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1q53 n GLU 43 N 8.46 -0.26 -1.21 0.38 2.13 -1.26 -4.48 120.64 124.40 1q53 n GLU 43 Ca 0.65 1.51 -0.24 0.00 0.66 0.00 0.00 57.16 59.73 1q53 n GLU 43 Cb 0.05 -2.23 0.19 0.00 0.27 0.00 0.00 31.44 29.71 1q53 n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1q53 n PRO 44 N -5.41 -1.92 -1.40 5.31 -0.04 -1.26 -4.91 135.00 125.37 1q53 n PRO 44 Ca 0.09 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1q53 n PRO 44 Cb 0.37 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1q53 n PRO 44 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1q53 n MET 45 N -3.79 -2.53 0.00 0.54 0.00 -1.26 -4.96 117.12 105.12 1q53 n MET 45 Ca 0.13 2.08 0.00 0.00 0.00 0.00 0.00 57.70 59.91 1q53 n MET 45 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.51 1q53 n MET 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1q53 n LYS 46 N 0.87 0.00 -3.82 2.12 4.01 -1.23 -4.90 118.16 115.21 1q53 n LYS 46 Ca 0.00 0.10 -0.12 0.00 -0.51 0.00 0.00 58.31 57.78 1q53 n LYS 46 Cb 0.00 -1.08 -0.11 0.00 -0.51 0.00 0.00 35.03 33.33 1q53 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q53 s ALA 47 N -2.20 -0.45 -0.06 7.82 0.00 -1.26 -5.02 121.76 120.60 1q53 s ALA 47 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1q53 s ALA 47 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1q53 s ALA 47 CO 0.00 -0.14 -0.23 0.12 0.00 0.00 0.00 175.76 175.51 1q53 s PHE 48 N -0.49 2.49 0.21 0.00 2.19 -1.26 -3.78 117.98 117.34 1q53 s PHE 48 Ca -0.06 -0.59 0.03 0.00 0.33 0.00 0.00 56.93 56.65 1q53 s PHE 48 Cb -0.04 -1.61 -0.05 0.00 -1.31 0.00 0.00 43.02 40.01 1q53 s PHE 48 CO 0.01 -0.13 -0.02 -3.38 1.83 0.00 0.00 175.22 173.53 1q53 s HIS 49 N -0.27 1.47 0.34 10.12 -3.43 -1.21 -4.89 115.29 117.42 1q53 s HIS 49 Ca 0.00 -0.91 0.04 0.00 -0.80 0.00 0.00 55.06 53.39 1q53 s HIS 49 Cb -0.13 -0.83 -0.06 0.00 -1.43 0.00 0.00 32.58 30.12 1q53 s HIS 49 CO 0.03 -0.04 0.06 1.67 -2.00 0.00 0.00 174.74 174.45 1q53 s TRP 50 N -3.43 2.00 0.13 0.38 1.48 -1.26 -3.11 118.94 115.12 1q53 s TRP 50 Ca 0.26 -0.95 -0.03 0.00 -1.06 0.00 0.00 56.10 54.33 1q53 s TRP 50 Cb 0.05 -1.32 -0.03 0.00 -1.16 0.00 0.00 33.47 31.01 1q53 s TRP 50 CO 0.07 0.03 0.09 0.20 -4.06 0.00 0.00 176.95 173.28 1q53 s GLY 51 N -3.51 0.81 0.10 3.67 0.00 -1.24 -4.99 107.32 102.17 1q53 s GLY 51 Ca 0.36 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.85 1q53 s GLY 51 CO 0.16 -1.24 -0.21 1.25 0.00 0.00 0.00 173.10 173.05 1q53 s LYS 52 N -4.01 1.15 0.10 2.90 2.20 -1.26 -4.19 119.74 116.63 1q53 s LYS 52 Ca 0.20 -1.17 -0.31 0.00 -0.36 0.00 0.00 55.97 54.33 1q53 s LYS 52 Cb 0.07 -1.43 -0.09 0.00 -1.51 0.00 0.00 37.83 34.87 1q53 s LYS 52 CO -0.00 0.33 1.56 0.16 -0.36 0.00 0.00 175.35 177.04 1q53 s ASP 53 N -1.90 6.66 0.51 1.43 -4.77 -0.67 -4.97 116.67 112.96 1q53 s ASP 53 Ca 0.07 2.47 -0.17 0.00 -3.30 0.00 0.00 52.55 51.61 1q53 s ASP 53 Cb -0.10 -2.58 -0.08 0.00 -1.09 0.00 0.00 42.92 39.07 1q53 s ASP 53 CO 0.04 -0.81 0.98 0.68 0.70 0.00 0.00 175.17 176.76 1q53 s VAL 54 N 1.89 4.50 -0.91 2.11 -7.23 -1.26 -4.85 120.40 114.65 1q53 s VAL 54 Ca 0.70 1.24 -0.21 0.00 -1.81 0.00 0.00 61.98 61.90 1q53 s VAL 54 Cb -0.40 -3.70 -0.24 0.00 0.56 0.00 0.00 36.38 32.61 1q53 s VAL 54 CO 0.31 -0.64 2.42 -1.20 -0.31 0.00 0.00 175.10 175.67 1q53 n SER 55 N -1.48 0.07 -0.28 4.85 7.64 -1.26 -4.60 113.62 118.55 1q53 n SER 55 Ca 0.07 -0.41 0.07 0.00 1.01 0.00 0.00 58.87 59.60 1q53 n SER 55 Cb 0.54 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1q53 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q53 n ILE 56 N 6.97 0.00 0.00 0.44 0.13 -1.26 -5.00 119.36 120.64 1q53 n ILE 56 Ca 0.61 -0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.93 1q53 n ILE 56 Cb 0.19 1.15 0.00 0.00 -0.84 0.00 0.00 39.64 40.14 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 -0.32 0.00 -3.15 9.51 2.13 -1.26 -4.15 120.64 123.40 1q53 n GLU 57 Ca 0.06 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.92 1q53 n GLU 57 Cb 0.29 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.00 1q53 n GLU 57 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1q53 s ASN 58 N 0.00 -1.14 -0.35 4.31 4.22 -1.26 -5.04 114.94 115.67 1q53 s ASN 58 Ca 0.00 0.14 0.04 0.00 -2.14 0.00 0.00 52.86 50.90 1q53 s ASN 58 Cb 0.00 1.73 0.25 0.00 1.28 0.00 0.00 41.25 44.51 1q53 s ASN 58 CO 0.00 -0.21 1.26 -0.11 -2.04 0.00 0.00 177.10 176.00 1q53 n LEU 59 N 5.30 -1.43 -3.64 3.54 -0.00 -1.26 -5.14 117.00 114.37 1q53 n LEU 59 Ca 0.07 -2.27 -0.07 0.00 -0.00 0.00 0.00 56.01 53.73 1q53 n LEU 59 Cb 0.55 0.85 -0.07 0.00 -0.00 0.00 0.00 43.42 44.75 1q53 n LEU 59 CO -0.10 1.56 0.59 -1.38 -0.00 0.00 0.00 177.39 178.05 1q53 s HIS 60 N 0.09 -0.68 -0.78 1.96 -3.43 -1.26 -5.02 115.29 106.17 1q53 s HIS 60 Ca 0.16 1.49 0.27 0.00 -0.80 0.00 0.00 55.06 56.17 1q53 s HIS 60 Cb 0.24 0.40 0.90 0.00 -1.43 0.00 0.00 32.58 32.69 1q53 s HIS 60 CO -0.11 -0.33 1.80 1.04 -2.00 0.00 0.00 174.74 175.14 1q53 n GLN 61 N 3.19 0.21 0.00 -0.38 1.13 -1.26 -4.77 117.38 115.49 1q53 n GLN 61 Ca -0.16 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1q53 n GLN 61 Cb 0.57 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.17 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 1.31 0.01 0.08 1.08 0.00 -1.26 -5.05 105.19 101.36 1q53 n GLY 62 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.22 0.00 1.61 0.05 -1.93 -3.44 116.97 113.48 1q53 h TYR 63 Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1q53 h TYR 63 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1q53 h TYR 63 CO 0.00 1.14 0.00 0.25 -1.05 0.00 0.00 178.16 178.50 1q53 n THR 64 N -3.41 0.00 -3.77 -2.88 -2.24 -1.26 -4.42 114.28 96.30 1q53 n THR 64 Ca -0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1q53 n THR 64 Cb 0.99 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1q53 n THR 64 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1q53 s HIS 65 N 0.00 -0.03 -0.03 4.78 0.00 -1.26 -1.66 115.29 117.08 1q53 s HIS 65 Ca 0.00 -0.19 0.01 0.00 -3.00 0.00 0.00 55.06 51.88 1q53 s HIS 65 Cb 0.00 0.60 0.03 0.00 -4.00 0.00 0.00 32.58 29.21 1q53 s HIS 65 CO 0.00 -0.55 -0.01 0.96 -1.00 0.00 0.00 174.74 174.14 1q53 s ILE 66 N -2.52 0.26 -0.21 -5.38 -5.25 -1.26 -3.39 121.20 103.44 1q53 s ILE 66 Ca 0.18 0.04 -0.09 0.00 -0.99 0.00 0.00 60.65 59.78 1q53 s ILE 66 Cb 0.01 -0.34 -0.05 0.00 2.95 0.00 0.00 42.46 45.04 1q53 s ILE 66 CO 0.00 0.16 0.12 -0.36 -1.79 0.00 0.00 174.94 173.07 1q53 s PHE 67 N 0.99 3.32 -0.10 1.37 0.08 -0.05 -3.63 117.98 119.94 1q53 s PHE 67 Ca -0.10 0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.10 1q53 s PHE 67 Cb -0.14 -2.18 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1q53 s PHE 67 CO -0.01 0.14 0.03 -2.00 -0.10 0.00 0.00 175.22 173.27 1q53 s GLU 68 N 0.67 3.19 -0.07 0.44 2.56 -1.18 -2.96 118.70 121.35 1q53 s GLU 68 Ca 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 54.97 54.70 1q53 s GLU 68 Cb -0.12 -2.90 0.00 0.00 2.00 0.00 0.00 34.13 33.11 1q53 s GLU 68 CO 0.01 0.64 -0.17 -1.54 -0.56 0.00 0.00 175.26 173.64 1q53 s SER 69 N -0.70 2.32 -0.17 -1.70 1.04 -1.24 -3.31 113.70 109.95 1q53 s SER 69 Ca 0.11 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 1q53 s SER 69 Cb -0.12 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 65.01 1q53 s SER 69 CO 0.02 0.11 0.61 -0.89 0.98 0.00 0.00 173.24 174.07 1q53 s THR 70 N 0.40 5.05 0.15 2.02 2.01 -1.25 -3.70 115.64 120.32 1q53 s THR 70 Ca -0.13 1.17 0.08 0.00 0.31 0.00 0.00 61.69 63.12 1q53 s THR 70 Cb -0.16 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1q53 s THR 70 CO 0.05 0.16 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.67 1q53 s PHE 71 N 1.60 2.65 0.08 4.92 0.40 -1.26 -3.50 117.98 122.87 1q53 s PHE 71 Ca 0.29 -0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 56.19 1q53 s PHE 71 Cb -0.16 -1.33 -0.08 0.00 0.51 0.00 0.00 43.02 41.96 1q53 s PHE 71 CO 0.11 0.47 1.37 1.49 0.70 0.00 0.00 175.22 179.36 1q53 h GLU 72 N 3.20 -0.29 0.00 0.44 4.81 -1.94 -3.40 114.58 117.39 1q53 h GLU 72 Ca -0.48 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1q53 h GLU 72 Cb 1.19 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.51 1q53 h GLU 72 CO 0.52 -0.20 -0.04 0.43 -0.73 0.00 0.00 179.01 179.00 1q53 n SER 73 N -4.48 -1.38 0.00 1.04 7.64 -1.26 -4.77 113.62 110.42 1q53 n SER 73 Ca -0.03 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1q53 n SER 73 Cb 0.24 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 1.20 0.00 -0.21 1.43 4.81 -1.26 -4.34 118.16 119.79 1q53 n LYS 74 Ca -0.00 0.00 0.26 0.00 -0.87 0.00 0.00 58.31 57.69 1q53 n LYS 74 Cb 0.72 0.00 0.65 0.00 0.02 0.00 0.00 35.03 36.42 1q53 n LYS 74 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1q53 h GLU 75 N 0.00 0.13 -0.10 1.64 5.08 -1.96 0.91 114.58 120.27 1q53 h GLU 75 Ca 0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1q53 h GLU 75 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1q53 h GLU 75 CO 0.00 0.09 -0.62 0.00 -1.00 0.00 0.00 179.01 177.48 1q53 h ALA 76 N 1.57 0.75 -0.59 3.43 0.00 -1.94 -3.02 119.26 119.47 1q53 h ALA 76 Ca 0.45 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1q53 h ALA 76 Cb 1.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1q53 h ALA 76 CO -0.07 0.72 0.30 0.28 0.00 0.00 0.00 179.25 180.48 1q53 h VAL 77 N 0.27 1.20 -0.75 0.00 2.07 0.47 0.49 116.25 119.99 1q53 h VAL 77 Ca -0.01 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1q53 h VAL 77 Cb 1.15 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1q53 h VAL 77 CO 0.10 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.34 1q53 h ALA 78 N 1.13 1.05 -0.41 1.67 0.00 -1.23 0.22 119.26 121.69 1q53 h ALA 78 Ca 0.20 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1q53 h ALA 78 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1q53 h ALA 78 CO -0.03 0.06 -0.20 0.93 0.00 0.00 0.00 179.25 180.01 1q53 h GLU 79 N 0.72 0.81 -0.65 0.00 5.08 -1.28 -0.96 114.58 118.29 1q53 h GLU 79 Ca 0.36 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1q53 h GLU 79 Cb 0.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1q53 h GLU 79 CO -0.23 0.94 0.23 -0.92 -1.00 0.00 0.00 179.01 178.03 1q53 h TYR 80 N 0.71 1.03 0.00 4.33 3.20 0.74 0.70 116.97 127.68 1q53 h TYR 80 Ca 0.10 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1q53 h TYR 80 Cb 0.72 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1q53 h TYR 80 CO 0.04 0.82 -0.02 0.82 -1.64 0.00 0.00 178.16 178.18 1q53 h ILE 81 N 0.94 0.04 -0.26 1.81 2.04 -0.47 -2.13 117.51 119.48 1q53 h ILE 81 Ca 0.21 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1q53 h ILE 81 Cb 0.26 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1q53 h ILE 81 CO -0.01 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1q53 n ALA 82 N -2.10 2.47 -2.06 1.87 0.00 -0.38 -4.91 120.51 115.39 1q53 n ALA 82 Ca 0.02 -0.77 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 1q53 n ALA 82 Cb 0.40 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.66 3.88 0.11 0.00 5.04 0.15 -4.97 115.29 117.83 1q53 s HIS 83 Ca 0.35 1.75 -0.10 0.00 -1.54 0.00 0.00 55.06 55.52 1q53 s HIS 83 Cb 0.20 -2.93 -0.15 0.00 0.04 0.00 0.00 32.58 29.74 1q53 s HIS 83 CO 0.29 0.37 1.27 -1.00 -2.34 0.00 0.00 174.74 173.33 1q53 h PRO 84 N 4.85 0.63 -0.64 2.88 0.13 -1.90 -2.72 132.00 135.24 1q53 h PRO 84 Ca -0.45 -0.61 0.04 0.00 -0.87 0.00 0.00 66.00 64.11 1q53 h PRO 84 Cb 1.21 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 1q53 h PRO 84 CO 0.69 1.22 0.42 0.00 -0.23 0.00 0.00 178.00 180.11 1q53 h ALA 85 N 0.58 1.69 -0.11 -0.56 0.00 -1.94 0.42 119.26 119.33 1q53 h ALA 85 Ca -0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1q53 h ALA 85 Cb 1.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1q53 h ALA 85 CO 0.18 0.23 -0.63 1.25 0.00 0.00 0.00 179.25 180.28 1q53 h HIS 86 N 0.72 0.53 -0.19 0.00 -0.00 -1.83 -1.16 115.15 113.22 1q53 h HIS 86 Ca 0.26 -0.21 -0.15 0.00 -0.00 0.00 0.00 60.37 60.27 1q53 h HIS 86 Cb 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1q53 h HIS 86 CO -0.00 0.93 -0.52 0.28 -0.00 0.00 0.00 177.93 178.62 1q53 h VAL 87 N 0.30 1.32 -0.13 5.26 2.07 -0.67 -1.69 116.25 122.71 1q53 h VAL 87 Ca -0.01 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1q53 h VAL 87 Cb 1.17 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1q53 h VAL 87 CO 0.11 0.54 -0.07 -0.08 0.02 0.00 0.00 177.57 178.09 1q53 h GLU 88 N 0.41 0.28 -0.97 1.57 4.81 -0.12 0.10 114.58 120.67 1q53 h GLU 88 Ca 0.01 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1q53 h GLU 88 Cb 1.05 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 1q53 h GLU 88 CO 0.10 0.62 0.63 0.74 -0.73 0.00 0.00 179.01 180.37 1q53 h PHE 89 N -0.07 1.22 -0.08 0.92 -1.00 -1.18 0.29 116.94 117.05 1q53 h PHE 89 Ca 0.03 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.71 1q53 h PHE 89 Cb 0.54 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1q53 h PHE 89 CO 0.07 0.78 -0.52 0.00 -1.61 0.00 0.00 178.31 177.03 1q53 h ALA 90 N 1.35 0.98 -0.20 2.45 0.00 -1.24 0.28 119.26 122.88 1q53 h ALA 90 Ca 0.35 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1q53 h ALA 90 Cb -0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1q53 h ALA 90 CO -0.07 0.67 -0.58 1.15 0.00 0.00 0.00 179.25 180.41 1q53 h THR 91 N 0.17 1.31 -0.18 0.00 2.02 0.16 -0.20 112.91 116.19 1q53 h THR 91 Ca 0.00 -1.83 -0.21 0.00 0.77 0.00 0.00 66.41 65.15 1q53 h THR 91 Cb 0.97 1.79 0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1q53 h THR 91 CO 0.08 0.57 -0.70 0.40 0.37 0.00 0.00 175.52 176.24 1q53 h ILE 92 N 0.48 1.28 -0.22 3.11 2.04 -0.28 -3.13 117.51 120.79 1q53 h ILE 92 Ca 0.00 -1.90 -0.09 0.00 1.00 0.00 0.00 64.86 63.87 1q53 h ILE 92 Cb 1.15 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1q53 h ILE 92 CO 0.11 0.60 -0.27 0.15 0.00 0.00 0.00 178.15 178.75 1q53 h PHE 93 N 0.54 0.47 -0.32 1.37 3.57 -0.89 -2.25 116.94 119.43 1q53 h PHE 93 Ca -0.04 -0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.46 1q53 h PHE 93 Cb 1.33 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1q53 h PHE 93 CO 0.09 0.65 0.29 -0.07 -2.23 0.00 0.00 178.31 177.04 1q53 h LEU 94 N 0.37 0.00 -2.18 0.59 3.38 -0.97 0.34 115.31 116.84 1q53 h LEU 94 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1q53 h LEU 94 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1q53 h LEU 94 CO 0.05 0.00 0.03 1.23 0.09 0.00 0.00 178.44 179.83 1q53 h GLY 95 N 0.00 0.00 -5.09 0.83 0.00 -1.45 -3.32 103.07 94.04 1q53 h GLY 95 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.23 1q53 h GLY 95 CO -0.00 0.00 -0.54 1.44 0.00 0.00 0.00 176.54 177.43 1q53 n SER 96 N -4.25 -2.67 -4.36 0.19 7.64 0.11 -5.13 113.62 105.15 1q53 n SER 96 Ca -0.02 -3.23 -0.32 0.00 1.01 0.00 0.00 58.87 56.30 1q53 n SER 96 Cb 0.12 1.61 -0.15 0.00 -1.01 0.00 0.00 64.21 64.78 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 -0.65 2.44 -0.06 -3.43 0.05 -0.47 -4.49 118.68 112.06 1q53 s LEU 97 Ca 0.32 -0.36 -0.02 0.00 0.05 0.00 0.00 54.13 54.11 1q53 s LEU 97 Cb 0.21 -1.49 -0.01 0.00 -2.05 0.00 0.00 46.19 42.86 1q53 s LEU 97 CO -0.23 0.26 -0.05 -0.78 -0.55 0.00 0.00 176.35 175.01 1q53 h ASP 98 N 5.98 0.00 -4.69 1.48 3.58 -1.53 -3.44 116.42 117.80 1q53 h ASP 98 Ca -0.35 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 56.94 1q53 h ASP 98 Cb 1.18 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.00 1q53 h ASP 98 CO 0.50 0.30 -0.56 -0.54 -2.88 0.00 0.00 179.24 176.06 1q53 s LYS 99 N -1.44 0.36 -0.25 0.28 1.02 -1.20 -4.93 119.74 113.58 1q53 s LYS 99 Ca -0.04 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 1q53 s LYS 99 Cb 0.01 0.15 0.14 0.00 -0.52 0.00 0.00 37.83 37.61 1q53 s LYS 99 CO 0.06 -0.08 0.41 0.14 -0.92 0.00 0.00 175.35 174.96 1q53 s VAL 100 N -1.05 -0.66 -0.15 3.17 -7.23 -1.26 -1.53 120.40 111.69 1q53 s VAL 100 Ca -0.11 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 1q53 s VAL 100 Cb -0.06 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.05 1q53 s VAL 100 CO 0.01 -0.11 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.74 1q53 s LEU 101 N 2.59 1.95 -0.25 1.32 2.01 -0.99 -5.02 118.68 120.29 1q53 s LEU 101 Ca 0.14 -0.56 -0.12 0.00 0.01 0.00 0.00 54.13 53.60 1q53 s LEU 101 Cb -0.15 -1.33 -0.05 0.00 0.01 0.00 0.00 46.19 44.67 1q53 s LEU 101 CO -0.17 0.02 0.22 -0.69 1.01 0.00 0.00 176.35 176.74 1q53 s VAL 102 N 1.11 5.31 0.01 -1.59 1.01 -1.26 -2.56 120.40 122.43 1q53 s VAL 102 Ca -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1q53 s VAL 102 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1q53 s VAL 102 CO -0.07 0.29 0.04 -0.63 0.00 0.00 0.00 175.10 174.73 1q53 s ILE 103 N 1.37 0.10 0.12 2.22 -1.09 -0.41 -5.05 121.20 118.46 1q53 s ILE 103 Ca 0.10 -0.80 0.04 0.00 -2.23 0.00 0.00 60.65 57.76 1q53 s ILE 103 Cb -0.15 -0.33 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 1q53 s ILE 103 CO 0.07 -0.44 0.08 -1.81 -1.23 0.00 0.00 174.94 171.61 1q53 s ASP 104 N -1.41 5.38 -0.06 3.58 1.11 -1.26 -0.97 116.67 123.03 1q53 s ASP 104 Ca -0.15 -0.11 -0.00 0.00 0.18 0.00 0.00 52.55 52.47 1q53 s ASP 104 Cb -0.09 -1.38 0.03 0.00 1.07 0.00 0.00 42.92 42.55 1q53 s ASP 104 CO 0.00 0.13 -0.02 -0.47 1.18 0.00 0.00 175.17 175.99 1q53 s TYR 105 N -1.52 0.73 0.03 4.23 6.14 0.85 -4.73 117.35 123.07 1q53 s TYR 105 Ca 0.29 -0.21 0.07 0.00 0.64 0.00 0.00 57.07 57.86 1q53 s TYR 105 Cb -0.11 -0.75 -0.02 0.00 0.42 0.00 0.00 41.96 41.49 1q53 s TYR 105 CO 0.21 -0.28 -0.21 0.15 0.64 0.00 0.00 175.55 176.07 1q53 s LYS 106 N 1.50 1.49 -0.73 4.97 1.02 -1.26 -1.88 119.74 124.85 1q53 s LYS 106 Ca -0.02 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 54.82 1q53 s LYS 106 Cb -0.13 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 1q53 s LYS 106 CO -0.03 0.41 1.59 -1.25 -0.92 0.00 0.00 175.35 175.15 1q53 s PRO 107 N -0.98 2.94 -0.61 -1.68 0.04 -1.26 -4.87 135.00 128.59 1q53 s PRO 107 Ca 0.08 0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.18 1q53 s PRO 107 Cb -0.09 -4.45 0.31 0.00 0.04 0.00 0.00 34.50 30.31 1q53 s PRO 107 CO 0.01 -2.50 0.89 2.41 0.04 0.00 0.00 177.00 177.85 1q53 n THR 108 N 6.90 2.88 -3.83 1.26 -1.04 -1.26 -5.05 114.28 114.14 1q53 n THR 108 Ca 0.16 -5.47 -0.22 0.00 -2.04 0.00 0.00 64.05 56.48 1q53 n THR 108 Cb 0.50 -1.65 -0.02 0.00 -1.82 0.00 0.00 70.33 67.35 1q53 n THR 108 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1q53 s SER 109 N -3.11 6.32 0.04 8.00 0.15 -1.26 -5.10 113.70 118.74 1q53 s SER 109 Ca 0.46 0.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 1q53 s SER 109 Cb 0.23 -1.91 -0.06 0.00 -1.71 0.00 0.00 66.02 62.58 1q53 s SER 109 CO -0.09 -0.11 0.40 -0.69 1.20 0.00 0.00 173.24 173.95 1q53 s VAL 110 N -2.03 5.08 0.05 4.45 1.01 -1.26 -5.04 120.40 122.65 1q53 s VAL 110 Ca 0.35 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 1q53 s VAL 110 Cb -0.09 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1q53 s VAL 110 CO 0.30 0.41 1.28 -0.94 0.00 0.00 0.00 175.10 176.16 1q53 s SER 111 N -1.46 6.98 0.00 3.32 1.04 -1.26 -5.33 113.70 116.98 1q53 s SER 111 Ca 0.29 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1q53 s SER 111 Cb -0.15 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1q53 s SER 111 CO 0.16 -0.57 0.33 0.00 0.98 0.00 0.00 173.24 174.13