#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 0.00 -3.41 1.61 0.87 -2.14 -3.44 113.55 107.05 1q53 h SER 2 Ca 0.00 -0.09 -0.71 0.00 -1.23 0.00 0.00 61.79 59.76 1q53 h SER 2 Cb 0.00 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.65 1q53 h SER 2 CO 0.00 0.74 -0.48 -1.00 -0.53 0.00 0.00 176.83 175.56 1q53 s HIS 3 N -2.01 3.48 0.94 2.24 0.09 -1.26 -5.08 115.29 113.68 1q53 s HIS 3 Ca -0.11 -2.05 -0.10 0.00 -0.00 0.00 0.00 55.06 52.80 1q53 s HIS 3 Cb 0.01 -3.26 0.16 0.00 -0.00 0.00 0.00 32.58 29.49 1q53 s HIS 3 CO 0.20 -0.96 1.13 -1.64 -0.00 0.00 0.00 174.74 173.47 1q53 s MET 4 N 1.28 0.81 0.24 1.40 1.00 -1.26 -4.95 119.30 117.83 1q53 s MET 4 Ca 0.06 1.47 -0.30 0.00 0.00 0.00 0.00 55.69 56.92 1q53 s MET 4 Cb -0.24 -1.71 -0.09 0.00 0.00 0.00 0.00 34.83 32.79 1q53 s MET 4 CO -0.02 -2.75 1.13 -2.00 0.00 0.00 0.00 175.02 171.39 1q53 s GLU 5 N -4.63 4.58 -0.33 2.03 2.12 -1.26 -5.00 118.70 116.21 1q53 s GLU 5 Ca 0.67 1.83 -0.20 0.00 0.36 0.00 0.00 54.97 57.63 1q53 s GLU 5 Cb -0.23 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 1q53 s GLU 5 CO 0.59 0.10 0.62 -1.21 -0.54 0.00 0.00 175.26 174.82 1q53 s GLU 6 N -1.01 3.78 -0.84 4.30 2.02 -1.26 -4.97 118.70 120.72 1q53 s GLU 6 Ca 0.47 0.15 -0.26 0.00 0.02 0.00 0.00 54.97 55.36 1q53 s GLU 6 Cb -0.32 -3.77 -0.13 0.00 0.10 0.00 0.00 34.13 30.01 1q53 s GLU 6 CO 0.40 -0.65 2.29 0.00 0.02 0.00 0.00 175.26 177.31 1q53 s ALA 7 N 2.64 0.88 -0.47 5.21 0.00 -1.26 -4.75 121.76 124.01 1q53 s ALA 7 Ca 0.24 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1q53 s ALA 7 Cb -0.15 -4.59 0.14 0.00 0.00 0.00 0.00 23.12 18.53 1q53 s ALA 7 CO 0.13 -5.78 2.50 1.63 0.00 0.00 0.00 175.76 174.25 1q53 n LYS 8 N 8.77 2.31 -1.96 0.00 5.02 -1.26 -4.94 118.16 126.09 1q53 n LYS 8 Ca 0.45 -2.31 -0.24 0.00 -2.02 0.00 0.00 58.31 54.19 1q53 n LYS 8 Cb 0.44 -2.04 0.15 0.00 -0.02 0.00 0.00 35.03 33.56 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q53 n GLY 9 N 0.54 -0.58 3.80 0.72 0.00 -1.26 -4.72 105.19 103.70 1q53 n GLY 9 Ca 0.46 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 -5.25 2.05 -0.09 1.61 0.04 -1.26 -5.08 135.00 127.01 1q53 s PRO 10 Ca 0.63 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 1q53 s PRO 10 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1q53 s PRO 10 CO 0.44 -1.64 0.14 0.08 0.04 0.00 0.00 177.00 176.05 1q53 s VAL 11 N -3.16 5.40 -0.06 -0.36 1.01 -1.26 -4.86 120.40 117.11 1q53 s VAL 11 Ca 0.61 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1q53 s VAL 11 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1q53 s VAL 11 CO 0.54 0.56 -0.17 -0.54 0.00 0.00 0.00 175.10 175.48 1q53 s LYS 12 N -1.21 2.06 -0.25 2.72 3.01 -1.11 -3.76 119.74 121.20 1q53 s LYS 12 Ca 0.17 -0.62 -0.12 0.00 -1.01 0.00 0.00 55.97 54.40 1q53 s LYS 12 Cb -0.12 -1.69 -0.05 0.00 -1.01 0.00 0.00 37.83 34.96 1q53 s LYS 12 CO 0.07 0.17 0.23 -1.58 0.51 0.00 0.00 175.35 174.74 1q53 s HIS 13 N 0.29 3.30 -0.25 3.18 5.65 -1.26 0.16 115.29 126.37 1q53 s HIS 13 Ca -0.10 0.28 -0.06 0.00 0.25 0.00 0.00 55.06 55.43 1q53 s HIS 13 Cb -0.14 -2.37 -0.02 0.00 -1.18 0.00 0.00 32.58 28.87 1q53 s HIS 13 CO 0.04 -0.03 0.03 0.08 -0.65 0.00 0.00 174.74 174.21 1q53 s VAL 14 N 1.37 3.91 -0.10 0.89 1.01 0.49 -3.83 120.40 124.14 1q53 s VAL 14 Ca 0.10 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1q53 s VAL 14 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1q53 s VAL 14 CO 0.07 0.33 -0.15 -0.22 0.00 0.00 0.00 175.10 175.13 1q53 s LEU 15 N 1.55 1.74 -0.20 3.92 0.20 -1.13 -0.09 118.68 124.67 1q53 s LEU 15 Ca 0.06 -0.42 -0.07 0.00 0.69 0.00 0.00 54.13 54.38 1q53 s LEU 15 Cb -0.15 -1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 1q53 s LEU 15 CO 0.01 0.03 0.07 -0.76 -0.29 0.00 0.00 176.35 175.41 1q53 s LEU 16 N 0.88 3.73 0.02 -0.68 1.02 -0.76 -1.46 118.68 121.42 1q53 s LEU 16 Ca -0.09 0.01 0.03 0.00 0.02 0.00 0.00 54.13 54.10 1q53 s LEU 16 Cb -0.15 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.09 1q53 s LEU 16 CO 0.00 0.12 -0.09 0.00 0.02 0.00 0.00 176.35 176.40 1q53 s ALA 17 N 0.69 0.76 0.00 4.21 0.00 -0.54 -1.35 121.76 125.53 1q53 s ALA 17 Ca 0.03 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1q53 s ALA 17 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1q53 s ALA 17 CO 0.02 0.13 -0.20 -1.12 0.00 0.00 0.00 175.76 174.58 1q53 s SER 18 N -0.78 2.40 -0.34 0.00 0.01 -0.25 -4.09 113.70 110.65 1q53 s SER 18 Ca -0.01 -0.41 -0.16 0.00 1.31 0.00 0.00 55.95 56.68 1q53 s SER 18 Cb -0.06 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1q53 s SER 18 CO 0.00 0.23 0.43 -0.36 0.41 0.00 0.00 173.24 173.95 1q53 s PHE 19 N -0.56 3.20 1.37 2.43 0.08 -1.26 -1.27 117.98 121.97 1q53 s PHE 19 Ca 0.08 0.11 -0.23 0.00 0.12 0.00 0.00 56.93 57.01 1q53 s PHE 19 Cb -0.08 -2.77 0.35 0.00 -0.57 0.00 0.00 43.02 39.95 1q53 s PHE 19 CO -0.00 -0.46 0.86 0.36 -0.10 0.00 0.00 175.22 175.88 1q53 n LYS 20 N 5.53 -4.53 -3.59 0.44 2.85 -1.26 -4.86 118.16 112.74 1q53 n LYS 20 Ca -0.07 -1.43 -0.38 0.00 -1.05 0.00 0.00 58.31 55.37 1q53 n LYS 20 Cb 0.49 -1.77 -0.11 0.00 -0.65 0.00 0.00 35.03 32.99 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 -3.24 5.95 0.00 -5.58 2.15 -1.26 -4.29 116.67 110.41 1q53 s ASP 21 Ca 0.64 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.51 1q53 s ASP 21 Cb -0.11 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1q53 s ASP 21 CO 0.53 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 176.06 1q53 n GLY 22 N 5.06 1.11 3.74 2.66 0.00 -1.26 -5.12 105.19 111.38 1q53 n GLY 22 Ca -0.14 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 0.14 0.00 0.00 0.00 173.32 173.46 1q53 s VAL 23 N 0.00 3.94 0.57 1.61 1.01 -1.26 -5.01 120.40 121.26 1q53 s VAL 23 Ca 0.00 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.59 1q53 s VAL 23 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1q53 s VAL 23 CO 0.00 0.37 1.15 -0.44 0.00 0.00 0.00 175.10 176.17 1q53 s SER 24 N -0.59 5.48 0.14 3.32 0.01 -1.26 -4.95 113.70 115.85 1q53 s SER 24 Ca 0.45 2.20 -0.04 0.00 1.31 0.00 0.00 55.95 59.88 1q53 s SER 24 Cb -0.28 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.32 1q53 s SER 24 CO 0.35 -1.39 1.34 1.55 0.41 0.00 0.00 173.24 175.50 1q53 h PRO 25 N 0.93 0.43 -0.20 12.44 0.13 -2.00 -2.94 132.00 140.80 1q53 h PRO 25 Ca -0.50 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1q53 h PRO 25 Cb 1.27 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1q53 h PRO 25 CO 0.56 1.08 0.13 1.49 -0.23 0.00 0.00 178.00 181.03 1q53 h GLU 26 N 0.27 0.26 -0.07 0.86 4.81 -2.00 -0.80 114.58 117.91 1q53 h GLU 26 Ca -0.06 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.93 1q53 h GLU 26 Cb 1.48 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.81 1q53 h GLU 26 CO 0.15 0.17 -0.85 -0.22 -0.73 0.00 0.00 179.01 177.54 1q53 h LYS 27 N 0.27 0.56 -0.69 1.92 3.64 -1.94 -1.70 116.57 118.63 1q53 h LYS 27 Ca 0.07 -0.51 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1q53 h LYS 27 Cb -0.03 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1q53 h LYS 27 CO -0.02 1.14 0.43 0.82 -2.27 0.00 0.00 179.45 179.55 1q53 h ILE 28 N 0.35 1.08 -0.18 2.00 2.04 -1.00 0.50 117.51 122.31 1q53 h ILE 28 Ca -0.06 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1q53 h ILE 28 Cb 1.46 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1q53 h ILE 28 CO 0.16 0.15 -0.11 -0.08 0.00 0.00 0.00 178.15 178.27 1q53 h GLU 29 N 0.84 0.39 -0.73 2.37 4.22 -1.30 -0.51 114.58 119.85 1q53 h GLU 29 Ca 0.28 -0.18 0.03 0.00 0.08 0.00 0.00 59.36 59.57 1q53 h GLU 29 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1q53 h GLU 29 CO -0.12 0.71 0.47 0.93 -2.18 0.00 0.00 179.01 178.82 1q53 h GLU 30 N 0.07 0.90 -0.35 1.92 5.08 -0.81 0.80 114.58 122.18 1q53 h GLU 30 Ca 0.04 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1q53 h GLU 30 Cb 0.61 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1q53 h GLU 30 CO 0.03 0.59 -0.16 1.25 -1.00 0.00 0.00 179.01 179.72 1q53 h LEU 31 N 0.92 0.63 0.18 1.33 6.46 0.06 0.12 115.31 125.01 1q53 h LEU 31 Ca 0.29 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1q53 h LEU 31 Cb -0.01 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1q53 h LEU 31 CO -0.10 0.81 -0.08 0.40 -0.62 0.00 0.00 178.44 178.85 1q53 h ILE 32 N 0.58 0.92 -0.46 4.05 2.04 0.09 -2.26 117.51 122.47 1q53 h ILE 32 Ca 0.09 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.12 1q53 h ILE 32 Cb 0.61 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1q53 h ILE 32 CO 0.04 0.19 0.31 0.07 0.00 0.00 0.00 178.15 178.77 1q53 h LYS 33 N -0.71 0.32 0.31 2.37 2.10 0.67 -2.04 116.57 119.58 1q53 h LYS 33 Ca -0.02 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1q53 h LYS 33 Cb 0.50 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1q53 h LYS 33 CO 0.04 0.21 -0.15 0.78 -2.00 0.00 0.00 179.45 178.33 1q53 h GLY 34 N 0.33 -0.43 -0.68 0.07 0.00 -0.61 -2.63 103.07 99.12 1q53 h GLY 34 Ca 0.21 0.16 0.17 0.00 0.00 0.00 0.00 47.33 47.86 1q53 h GLY 34 CO -0.05 -0.16 -0.21 -0.97 0.00 0.00 0.00 176.54 175.16 1q53 h TYR 35 N -0.51 -0.45 -0.64 5.60 0.05 -0.75 1.61 116.97 121.87 1q53 h TYR 35 Ca -0.04 0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1q53 h TYR 35 Cb 0.38 0.33 -0.04 0.00 1.01 0.00 0.00 36.73 38.41 1q53 h TYR 35 CO -0.03 -0.36 0.43 0.00 -1.05 0.00 0.00 178.16 177.14 1q53 h ALA 36 N 1.83 1.70 -0.28 3.88 0.00 -1.44 0.58 119.26 125.54 1q53 h ALA 36 Ca 0.40 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 1q53 h ALA 36 Cb 0.61 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1q53 h ALA 36 CO -0.86 0.21 -0.53 -0.97 0.00 0.00 0.00 179.25 177.10 1q53 h ASN 37 N 0.71 0.93 0.04 0.00 -1.24 0.24 -1.90 115.58 114.35 1q53 h ASN 37 Ca 0.27 -0.49 -0.11 0.00 0.71 0.00 0.00 56.30 56.68 1q53 h ASN 37 Cb 0.16 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1q53 h ASN 37 CO -0.08 1.28 -0.35 -0.07 -1.29 0.00 0.00 177.43 176.92 1q53 h LEU 38 N 0.65 0.44 -1.14 0.34 4.07 0.18 -2.28 115.31 117.58 1q53 h LEU 38 Ca 0.02 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 57.72 1q53 h LEU 38 Cb 1.13 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1q53 h LEU 38 CO 0.12 0.77 -0.37 0.58 -1.08 0.00 0.00 178.44 178.46 1q53 h VAL 39 N 0.37 1.28 -0.04 1.22 2.07 0.27 0.11 116.25 121.52 1q53 h VAL 39 Ca 0.04 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.12 1q53 h VAL 39 Cb 0.79 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1q53 h VAL 39 CO 0.06 0.39 -0.47 -1.13 0.02 0.00 0.00 177.57 176.45 1q53 h ASN 40 N 0.10 0.11 0.03 0.57 -1.24 -0.79 -3.29 115.58 111.07 1q53 h ASN 40 Ca 0.01 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1q53 h ASN 40 Cb 0.70 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.72 1q53 h ASN 40 CO 0.05 0.56 -0.01 0.25 -1.29 0.00 0.00 177.43 176.99 1q53 h LEU 41 N 0.09 -0.03 -8.20 0.34 7.12 -0.97 -3.43 115.31 110.23 1q53 h LEU 41 Ca 0.00 0.00 -0.49 0.00 0.13 0.00 0.00 57.88 57.52 1q53 h LEU 41 Cb 0.86 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.94 1q53 h LEU 41 CO 0.07 0.30 1.71 -0.38 -0.13 0.00 0.00 178.44 180.01 1q53 n ILE 42 N -3.89 -0.02 -0.22 4.05 2.08 0.32 -4.75 119.36 116.93 1q53 n ILE 42 Ca -0.00 -0.25 -0.07 0.00 0.56 0.00 0.00 62.75 62.98 1q53 n ILE 42 Cb 0.01 -1.24 0.03 0.00 -0.75 0.00 0.00 39.64 37.70 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1q53 h GLU 43 N 14.34 0.89 -5.57 0.38 4.81 -1.84 -3.33 114.58 124.27 1q53 h GLU 43 Ca -0.11 -0.13 -0.52 0.00 -0.13 0.00 0.00 59.36 58.46 1q53 h GLU 43 Cb 1.30 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1q53 h GLU 43 CO 1.31 0.72 1.73 -0.35 -0.73 0.00 0.00 179.01 181.69 1q53 n PRO 44 N -4.51 2.40 -3.15 0.92 -0.04 -1.26 -4.73 135.00 124.64 1q53 n PRO 44 Ca 0.04 -2.84 0.05 0.00 -0.04 0.00 0.00 63.50 60.71 1q53 n PRO 44 Cb 0.13 -3.58 -0.02 0.00 -0.04 0.00 0.00 33.50 29.99 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 5.23 0.20 0.08 0.54 1.75 -1.25 -4.92 119.30 120.93 1q53 s MET 45 Ca 0.60 0.37 -0.32 0.00 -1.25 0.00 0.00 55.69 55.09 1q53 s MET 45 Cb 0.03 0.20 -0.15 0.00 2.84 0.00 0.00 34.83 37.75 1q53 s MET 45 CO 0.10 -0.22 1.50 -0.22 -0.65 0.00 0.00 175.02 175.53 1q53 h LYS 46 N 7.98 -0.84 -1.72 4.11 3.64 -1.84 -3.46 116.57 124.44 1q53 h LYS 46 Ca -0.14 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1q53 h LYS 46 Cb 1.17 0.19 -0.21 0.00 -0.41 0.00 0.00 32.23 32.97 1q53 h LYS 46 CO -0.08 -0.56 0.55 0.00 -2.27 0.00 0.00 179.45 177.09 1q53 s ALA 47 N -5.55 -1.91 -0.05 5.00 0.00 -1.23 -5.06 121.76 112.95 1q53 s ALA 47 Ca -0.16 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 1q53 s ALA 47 Cb 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1q53 s ALA 47 CO 0.53 -0.41 -0.00 0.12 0.00 0.00 0.00 175.76 176.00 1q53 s PHE 48 N -1.63 0.55 0.20 0.00 5.36 -1.26 -2.04 117.98 119.16 1q53 s PHE 48 Ca 0.00 -0.10 0.09 0.00 -0.96 0.00 0.00 56.93 55.97 1q53 s PHE 48 Cb -0.01 -0.67 -0.04 0.00 -0.34 0.00 0.00 43.02 41.96 1q53 s PHE 48 CO -0.01 -0.25 -0.19 -3.38 -1.46 0.00 0.00 175.22 169.93 1q53 s HIS 49 N 1.60 1.95 -0.04 10.12 -3.43 -1.24 -5.03 115.29 119.23 1q53 s HIS 49 Ca -0.01 -0.45 0.07 0.00 -0.80 0.00 0.00 55.06 53.87 1q53 s HIS 49 Cb -0.13 -0.93 -0.02 0.00 -1.43 0.00 0.00 32.58 30.07 1q53 s HIS 49 CO -0.03 0.43 -0.24 1.67 -2.00 0.00 0.00 174.74 174.57 1q53 s TRP 50 N -2.27 2.42 -0.05 0.38 1.48 -1.26 -3.93 118.94 115.71 1q53 s TRP 50 Ca 0.20 -0.55 0.04 0.00 -1.06 0.00 0.00 56.10 54.73 1q53 s TRP 50 Cb -0.05 -1.56 0.00 0.00 -1.16 0.00 0.00 33.47 30.70 1q53 s TRP 50 CO 0.09 -0.11 -0.16 0.20 -4.06 0.00 0.00 176.95 172.91 1q53 s GLY 51 N -0.40 0.89 -0.12 3.67 0.00 -1.26 -5.10 107.32 105.00 1q53 s GLY 51 Ca 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 1q53 s GLY 51 CO 0.01 -0.24 -0.03 1.25 0.00 0.00 0.00 173.10 174.09 1q53 s LYS 52 N 0.18 3.32 1.14 2.90 2.20 -1.25 -3.93 119.74 124.30 1q53 s LYS 52 Ca -0.07 -0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 54.92 1q53 s LYS 52 Cb -0.12 -2.82 0.27 0.00 -1.51 0.00 0.00 37.83 33.65 1q53 s LYS 52 CO 0.03 0.44 1.04 0.34 -0.36 0.00 0.00 175.35 176.84 1q53 s ASP 53 N -0.18 1.13 -0.26 1.43 2.15 -0.84 -4.99 116.67 115.10 1q53 s ASP 53 Ca 0.04 1.67 -0.05 0.00 0.43 0.00 0.00 52.55 54.64 1q53 s ASP 53 Cb -0.13 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1q53 s ASP 53 CO 0.02 -4.13 0.01 0.68 -0.17 0.00 0.00 175.17 171.58 1q53 s VAL 54 N -2.45 3.56 0.12 1.11 -7.23 -1.26 -5.04 120.40 109.21 1q53 s VAL 54 Ca 0.68 -0.67 -0.31 0.00 -1.81 0.00 0.00 61.98 59.87 1q53 s VAL 54 Cb -0.25 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.85 1q53 s VAL 54 CO 0.64 0.23 1.54 -0.44 -0.31 0.00 0.00 175.10 176.76 1q53 s SER 55 N 1.46 6.66 -0.01 4.85 0.01 -1.26 -4.87 113.70 120.54 1q53 s SER 55 Ca 0.03 2.49 0.10 0.00 1.31 0.00 0.00 55.95 59.89 1q53 s SER 55 Cb -0.16 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.36 1q53 s SER 55 CO -0.01 -0.79 0.35 0.00 0.41 0.00 0.00 173.24 173.20 1q53 n ILE 56 N 4.17 0.00 0.00 1.44 0.13 -1.26 -5.00 119.36 118.84 1q53 n ILE 56 Ca 0.14 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1q53 n ILE 56 Cb 0.40 0.70 0.00 0.00 -0.84 0.00 0.00 39.64 39.90 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 -1.49 0.00 0.00 9.51 2.13 -1.26 -5.08 120.64 124.45 1q53 n GLU 57 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1q53 n GLU 57 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.91 1q53 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1q53 n ASN 58 N 0.00 0.00 -2.87 4.31 4.13 -1.26 -5.13 115.26 114.44 1q53 n ASN 58 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 1q53 n ASN 58 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1q53 s LEU 59 N 0.00 -0.51 0.04 3.41 0.20 -1.26 -5.17 118.68 115.40 1q53 s LEU 59 Ca 0.00 -0.21 -0.27 0.00 0.69 0.00 0.00 54.13 54.34 1q53 s LEU 59 Cb 0.00 0.74 0.09 0.00 -0.43 0.00 0.00 46.19 46.58 1q53 s LEU 59 CO 0.00 -0.06 0.76 -1.38 -0.29 0.00 0.00 176.35 175.38 1q53 s HIS 60 N 2.08 -0.45 -1.90 5.38 -3.43 -1.26 -5.02 115.29 110.69 1q53 s HIS 60 Ca 0.16 0.38 0.17 0.00 -0.80 0.00 0.00 55.06 54.97 1q53 s HIS 60 Cb 0.01 0.53 0.29 0.00 -1.43 0.00 0.00 32.58 31.98 1q53 s HIS 60 CO -0.15 -0.65 1.21 1.04 -2.00 0.00 0.00 174.74 174.18 1q53 n GLN 61 N -0.11 2.03 0.00 -0.38 3.00 -1.26 -4.91 117.38 115.74 1q53 n GLN 61 Ca -0.13 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1q53 n GLN 61 Cb 0.62 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.49 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 1.05 0.67 0.30 1.08 0.00 -1.26 -4.73 105.19 102.29 1q53 n GLY 62 Ca 0.14 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -1.80 1.61 0.05 -1.92 -2.91 116.97 112.00 1q53 h TYR 63 Ca 0.00 0.00 0.52 0.00 0.05 0.00 0.00 58.73 59.30 1q53 h TYR 63 Cb 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.67 1q53 h TYR 63 CO 0.00 0.00 1.32 0.25 -1.05 0.00 0.00 178.16 178.68 1q53 n THR 64 N -2.95 0.00 -3.64 -2.88 -2.24 -1.26 -3.40 114.28 97.91 1q53 n THR 64 Ca -0.02 1.38 -0.40 0.00 -2.27 0.00 0.00 64.05 62.74 1q53 n THR 64 Cb 0.12 -2.31 -0.11 0.00 -2.10 0.00 0.00 70.33 65.93 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 -4.70 3.23 -0.01 4.78 3.76 -1.10 -1.99 115.29 119.26 1q53 s HIS 65 Ca -0.05 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 53.94 1q53 s HIS 65 Cb 0.24 -2.39 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 1q53 s HIS 65 CO 0.81 -0.61 -0.06 0.96 -0.85 0.00 0.00 174.74 174.99 1q53 s ILE 66 N 1.54 0.45 -0.23 0.60 -4.36 -1.22 -1.47 121.20 116.51 1q53 s ILE 66 Ca 0.02 -0.23 -0.09 0.00 -0.26 0.00 0.00 60.65 60.09 1q53 s ILE 66 Cb -0.19 -0.38 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 1q53 s ILE 66 CO 0.06 0.13 0.12 -0.36 0.24 0.00 0.00 174.94 175.13 1q53 s PHE 67 N -0.07 3.25 -0.04 1.37 0.08 -0.54 -4.11 117.98 117.92 1q53 s PHE 67 Ca 0.01 0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.17 1q53 s PHE 67 Cb -0.03 -2.22 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 1q53 s PHE 67 CO -0.00 -0.01 -0.18 -1.83 -0.10 0.00 0.00 175.22 173.10 1q53 s GLU 68 N 1.03 1.79 -0.17 0.44 1.03 -1.25 -2.84 118.70 118.73 1q53 s GLU 68 Ca 0.06 -0.63 0.00 0.00 0.03 0.00 0.00 54.97 54.43 1q53 s GLU 68 Cb -0.14 -1.57 0.03 0.00 -0.80 0.00 0.00 34.13 31.65 1q53 s GLU 68 CO 0.04 0.27 -0.11 0.45 -1.33 0.00 0.00 175.26 174.57 1q53 s SER 69 N -0.03 3.00 -0.11 0.83 0.15 -1.25 -3.59 113.70 112.70 1q53 s SER 69 Ca -0.03 -0.67 -0.27 0.00 0.70 0.00 0.00 55.95 55.68 1q53 s SER 69 Cb -0.11 -1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 63.01 1q53 s SER 69 CO 0.02 -0.11 0.90 -0.89 1.20 0.00 0.00 173.24 174.36 1q53 s THR 70 N 1.47 4.86 0.27 6.45 2.01 -0.86 -4.03 115.64 125.81 1q53 s THR 70 Ca 0.02 1.82 0.03 0.00 0.31 0.00 0.00 61.69 63.87 1q53 s THR 70 Cb -0.15 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1q53 s THR 70 CO -0.09 0.07 0.04 -0.36 -0.69 0.00 0.00 174.62 173.59 1q53 s PHE 71 N 1.76 1.70 -0.06 4.92 0.08 -1.25 -3.33 117.98 121.80 1q53 s PHE 71 Ca 0.44 -1.00 0.12 0.00 0.12 0.00 0.00 56.93 56.61 1q53 s PHE 71 Cb -0.18 -1.04 0.22 0.00 -0.57 0.00 0.00 43.02 41.46 1q53 s PHE 71 CO 0.17 -0.10 1.11 -1.91 -0.10 0.00 0.00 175.22 174.39 1q53 n GLU 72 N -0.53 0.57 -3.53 0.44 2.13 -1.26 -4.12 120.64 114.35 1q53 n GLU 72 Ca -0.03 -1.96 -0.06 0.00 0.66 0.00 0.00 57.16 55.78 1q53 n GLU 72 Cb 0.65 -0.83 -0.07 0.00 0.27 0.00 0.00 31.44 31.47 1q53 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1q53 s SER 73 N -2.03 -0.45 0.17 4.31 0.01 -1.26 -5.03 113.70 109.42 1q53 s SER 73 Ca 0.21 0.93 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 1q53 s SER 73 Cb 0.21 1.58 0.13 0.00 0.21 0.00 0.00 66.02 68.14 1q53 s SER 73 CO -0.04 -0.25 1.74 0.50 0.41 0.00 0.00 173.24 175.60 1q53 h LYS 74 N 8.12 0.26 -0.95 12.44 3.64 -1.98 0.58 116.57 138.68 1q53 h LYS 74 Ca -0.18 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1q53 h LYS 74 Cb 1.12 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1q53 h LYS 74 CO 0.16 0.17 0.62 0.93 -2.27 0.00 0.00 179.45 179.07 1q53 h GLU 75 N 0.27 1.16 -0.26 1.90 5.08 -2.00 -0.77 114.58 119.96 1q53 h GLU 75 Ca 0.21 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1q53 h GLU 75 Cb 0.23 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1q53 h GLU 75 CO -0.24 0.77 -0.35 0.00 -1.00 0.00 0.00 179.01 178.18 1q53 h ALA 76 N 1.40 0.91 -0.95 3.43 0.00 -1.55 -1.02 119.26 121.47 1q53 h ALA 76 Ca 0.38 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1q53 h ALA 76 Cb 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1q53 h ALA 76 CO -0.13 0.63 0.63 0.28 0.00 0.00 0.00 179.25 180.65 1q53 h VAL 77 N 0.48 1.21 -0.13 0.00 2.07 0.15 0.19 116.25 120.21 1q53 h VAL 77 Ca 0.05 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1q53 h VAL 77 Cb 0.84 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1q53 h VAL 77 CO 0.07 0.23 -0.31 0.00 0.02 0.00 0.00 177.57 177.58 1q53 h ALA 78 N 1.42 0.22 -0.54 1.67 0.00 -0.93 -2.52 119.26 118.58 1q53 h ALA 78 Ca 0.36 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1q53 h ALA 78 Cb -0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1q53 h ALA 78 CO -0.09 0.25 0.23 0.93 0.00 0.00 0.00 179.25 180.57 1q53 h GLU 79 N 0.05 0.42 -0.17 0.00 5.08 -0.55 0.36 114.58 119.77 1q53 h GLU 79 Ca -0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1q53 h GLU 79 Cb 0.91 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1q53 h GLU 79 CO 0.07 0.28 0.08 -0.92 -1.00 0.00 0.00 179.01 177.51 1q53 h TYR 80 N 0.44 0.14 0.00 4.33 3.20 -0.64 0.01 116.97 124.45 1q53 h TYR 80 Ca 0.26 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1q53 h TYR 80 Cb 0.25 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1q53 h TYR 80 CO -0.14 0.08 0.00 0.82 -1.64 0.00 0.00 178.16 177.28 1q53 h ILE 81 N 0.17 0.00 -0.62 1.81 2.04 -0.94 -1.63 117.51 118.35 1q53 h ILE 81 Ca 0.07 -0.34 -0.36 0.00 1.00 0.00 0.00 64.86 65.23 1q53 h ILE 81 Cb 0.02 1.26 -0.21 0.00 -0.74 0.00 0.00 36.82 37.15 1q53 h ILE 81 CO -0.06 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.20 1q53 n ALA 82 N -2.01 4.95 -2.64 1.87 0.00 0.12 -4.94 120.51 117.87 1q53 n ALA 82 Ca 0.00 -3.23 -0.36 0.00 0.00 0.00 0.00 53.44 49.85 1q53 n ALA 82 Cb 0.23 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.39 3.63 0.16 0.00 5.04 -0.19 -4.91 115.29 115.64 1q53 s HIS 83 Ca 0.51 0.76 -0.02 0.00 -1.54 0.00 0.00 55.06 54.78 1q53 s HIS 83 Cb 0.44 -2.13 -0.01 0.00 0.04 0.00 0.00 32.58 30.92 1q53 s HIS 83 CO 0.02 0.61 1.37 -1.00 -2.34 0.00 0.00 174.74 173.41 1q53 h PRO 84 N 4.27 0.35 -0.64 2.88 0.13 -1.89 -1.86 132.00 135.23 1q53 h PRO 84 Ca -0.51 -0.34 -0.05 0.00 -0.87 0.00 0.00 66.00 64.23 1q53 h PRO 84 Cb 1.21 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1q53 h PRO 84 CO 0.64 1.01 0.20 0.00 -0.23 0.00 0.00 178.00 179.61 1q53 h ALA 85 N 0.88 0.84 -0.33 -0.56 0.00 -1.95 0.35 119.26 118.49 1q53 h ALA 85 Ca -0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1q53 h ALA 85 Cb 1.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1q53 h ALA 85 CO 0.14 0.52 -0.38 1.25 0.00 0.00 0.00 179.25 180.78 1q53 h HIS 86 N 0.93 0.93 -0.40 0.00 -0.00 -1.86 -2.84 115.15 111.91 1q53 h HIS 86 Ca 0.21 -0.27 -0.10 0.00 -0.00 0.00 0.00 60.37 60.20 1q53 h HIS 86 Cb 0.30 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1q53 h HIS 86 CO 0.02 1.04 -0.17 0.28 -0.00 0.00 0.00 177.93 179.10 1q53 h VAL 87 N 0.64 1.26 -0.53 5.26 2.07 -0.91 0.17 116.25 124.21 1q53 h VAL 87 Ca 0.06 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.40 1q53 h VAL 87 Cb 0.93 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1q53 h VAL 87 CO 0.09 0.42 0.20 -0.08 0.02 0.00 0.00 177.57 178.21 1q53 h GLU 88 N 0.66 0.37 0.00 1.57 4.57 -0.08 0.88 114.58 122.55 1q53 h GLU 88 Ca 0.10 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 1q53 h GLU 88 Cb 0.66 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1q53 h GLU 88 CO 0.05 0.24 -0.38 0.35 -1.18 0.00 0.00 179.01 178.09 1q53 h PHE 89 N 0.38 0.38 -0.24 0.92 3.57 -1.33 -2.58 116.94 118.04 1q53 h PHE 89 Ca 0.26 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1q53 h PHE 89 Cb 0.28 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1q53 h PHE 89 CO -0.16 1.02 -0.05 0.00 -2.23 0.00 0.00 178.31 176.89 1q53 h ALA 90 N 0.27 0.17 -0.90 2.41 0.00 -0.37 0.17 119.26 121.00 1q53 h ALA 90 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1q53 h ALA 90 Cb 1.13 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1q53 h ALA 90 CO 0.08 -0.46 0.58 1.15 0.00 0.00 0.00 179.25 180.59 1q53 h THR 91 N 0.01 1.10 0.00 0.00 2.02 0.70 0.11 112.91 116.86 1q53 h THR 91 Ca 0.12 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1q53 h THR 91 Cb 0.17 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1q53 h THR 91 CO -0.24 0.20 -0.23 0.40 0.37 0.00 0.00 175.52 176.02 1q53 h ILE 92 N 1.08 1.15 0.03 3.11 2.04 -0.80 -2.45 117.51 121.67 1q53 h ILE 92 Ca 0.38 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1q53 h ILE 92 Cb 0.10 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1q53 h ILE 92 CO -0.15 0.22 -0.01 0.15 0.00 0.00 0.00 178.15 178.36 1q53 h PHE 93 N 0.00 -0.04 -0.34 1.37 3.57 0.16 -3.06 116.94 118.61 1q53 h PHE 93 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1q53 h PHE 93 Cb 0.41 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1q53 h PHE 93 CO 0.00 0.57 0.38 -0.07 -2.23 0.00 0.00 178.31 176.95 1q53 h LEU 94 N -0.68 0.00 -2.64 0.59 3.38 -0.74 0.70 115.31 115.92 1q53 h LEU 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q53 h LEU 94 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1q53 h LEU 94 CO 0.01 0.00 0.00 1.23 0.09 0.00 0.00 178.44 179.77 1q53 h GLY 95 N 0.00 0.00 -5.02 0.83 0.00 -1.33 -3.18 103.07 94.37 1q53 h GLY 95 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.28 1q53 h GLY 95 CO -0.00 0.00 -0.40 1.44 0.00 0.00 0.00 176.54 177.58 1q53 n SER 96 N -3.01 -1.41 -4.38 0.19 7.64 0.21 -5.12 113.62 107.74 1q53 n SER 96 Ca -0.02 -2.37 -0.32 0.00 1.01 0.00 0.00 58.87 57.17 1q53 n SER 96 Cb 0.10 0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 63.90 1q53 n SER 96 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q53 s LEU 97 N -3.57 2.55 0.01 -3.43 2.01 0.77 -4.61 118.68 112.41 1q53 s LEU 97 Ca 0.18 -0.33 -0.11 0.00 0.01 0.00 0.00 54.13 53.88 1q53 s LEU 97 Cb 0.42 -1.52 -0.06 0.00 0.01 0.00 0.00 46.19 45.03 1q53 s LEU 97 CO -0.10 0.25 0.98 -0.78 1.01 0.00 0.00 176.35 177.72 1q53 h ASP 98 N 6.03 -0.34 -5.00 2.29 3.58 -1.51 -3.47 116.42 118.00 1q53 h ASP 98 Ca -0.35 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 56.98 1q53 h ASP 98 Cb 1.18 0.09 -0.20 0.00 1.72 0.00 0.00 39.33 42.12 1q53 h ASP 98 CO 0.51 -0.21 -0.43 -0.54 -2.88 0.00 0.00 179.24 175.69 1q53 s LYS 99 N -3.53 0.56 -0.19 0.28 1.02 -1.21 -4.98 119.74 111.69 1q53 s LYS 99 Ca -0.06 -0.40 -0.09 0.00 0.02 0.00 0.00 55.97 55.45 1q53 s LYS 99 Cb 0.01 0.23 0.07 0.00 -0.52 0.00 0.00 37.83 37.62 1q53 s LYS 99 CO 0.18 -0.14 0.43 0.54 -0.92 0.00 0.00 175.35 175.44 1q53 s VAL 100 N -1.56 -0.22 -0.04 3.17 0.11 -1.26 -1.10 120.40 119.50 1q53 s VAL 100 Ca -0.13 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1q53 s VAL 100 Cb -0.06 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1q53 s VAL 100 CO 0.01 0.04 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.98 1q53 s LEU 101 N 1.79 1.61 -0.27 2.54 2.01 -0.46 -5.00 118.68 120.90 1q53 s LEU 101 Ca -0.07 -0.21 -0.12 0.00 0.01 0.00 0.00 54.13 53.74 1q53 s LEU 101 Cb -0.09 -0.61 -0.05 0.00 0.01 0.00 0.00 46.19 45.45 1q53 s LEU 101 CO -0.13 0.02 0.24 0.68 1.01 0.00 0.00 176.35 178.17 1q53 s VAL 102 N 0.55 5.27 0.01 -1.59 -7.23 -1.26 -1.83 120.40 114.33 1q53 s VAL 102 Ca -0.09 0.29 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1q53 s VAL 102 Cb -0.13 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1q53 s VAL 102 CO 0.01 0.23 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.35 1q53 s ILE 103 N 1.78 0.41 0.09 -0.62 -1.09 0.87 -5.01 121.20 117.64 1q53 s ILE 103 Ca 0.09 -0.52 -0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1q53 s ILE 103 Cb -0.16 -0.41 -0.05 0.00 -1.58 0.00 0.00 42.46 40.26 1q53 s ILE 103 CO 0.10 -0.08 0.32 -0.62 -1.23 0.00 0.00 174.94 173.43 1q53 s ASP 104 N -0.66 6.47 -0.27 3.58 2.15 -1.26 0.18 116.67 126.88 1q53 s ASP 104 Ca -0.03 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.48 1q53 s ASP 104 Cb -0.05 -2.07 0.05 0.00 -0.30 0.00 0.00 42.92 40.55 1q53 s ASP 104 CO -0.00 0.12 -0.07 -0.47 -0.17 0.00 0.00 175.17 174.59 1q53 s TYR 105 N -1.54 3.18 -0.09 -5.34 6.14 0.43 -4.75 117.35 115.39 1q53 s TYR 105 Ca 0.37 -1.93 0.04 0.00 0.64 0.00 0.00 57.07 56.18 1q53 s TYR 105 Cb -0.13 -2.02 0.00 0.00 0.42 0.00 0.00 41.96 40.23 1q53 s TYR 105 CO 0.23 -0.81 -0.21 0.21 0.64 0.00 0.00 175.55 175.61 1q53 s LYS 106 N 1.22 2.66 -0.32 4.97 2.20 -1.26 -2.74 119.74 126.47 1q53 s LYS 106 Ca -0.04 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 1q53 s LYS 106 Cb -0.19 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1q53 s LYS 106 CO -0.04 0.17 1.36 -1.25 -0.36 0.00 0.00 175.35 175.23 1q53 s PRO 107 N 0.35 3.83 -0.50 4.03 0.04 -1.26 -4.92 135.00 136.56 1q53 s PRO 107 Ca -0.16 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.18 1q53 s PRO 107 Cb -0.17 -3.93 0.30 0.00 0.04 0.00 0.00 34.50 30.75 1q53 s PRO 107 CO 0.07 -1.24 0.75 2.41 0.04 0.00 0.00 177.00 179.04 1q53 n THR 108 N 6.42 1.25 -2.63 1.26 -1.04 -1.26 -5.08 114.28 113.20 1q53 n THR 108 Ca 0.16 -4.90 -0.33 0.00 -2.04 0.00 0.00 64.05 56.94 1q53 n THR 108 Cb 0.47 -1.38 -0.05 0.00 -1.82 0.00 0.00 70.33 67.54 1q53 n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1q53 s SER 109 N -2.48 6.79 -0.03 8.00 1.04 -1.26 -5.06 113.70 120.71 1q53 s SER 109 Ca 0.42 1.63 -0.02 0.00 0.48 0.00 0.00 55.95 58.45 1q53 s SER 109 Cb 0.24 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1q53 s SER 109 CO -0.09 -0.46 0.10 -0.69 0.98 0.00 0.00 173.24 173.08 1q53 s VAL 110 N -2.38 4.93 0.36 5.02 1.01 -1.26 -5.08 120.40 123.00 1q53 s VAL 110 Ca 0.60 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 1q53 s VAL 110 Cb -0.09 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 1q53 s VAL 110 CO 0.21 0.40 1.18 -0.55 0.00 0.00 0.00 175.10 176.35 1q53 s SER 111 N -1.62 6.73 0.00 3.32 0.15 -1.26 -5.35 113.70 115.67 1q53 s SER 111 Ca 0.22 2.40 0.15 0.00 0.70 0.00 0.00 55.95 59.42 1q53 s SER 111 Cb -0.12 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.68 1q53 s SER 111 CO 0.13 -0.54 0.97 0.18 1.20 0.00 0.00 173.24 175.18