#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q48 n ALA 2 N 0.00 0.25 -3.04 -5.12 0.00 -1.26 -4.95 120.51 106.40 1q48 n ALA 2 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1q48 n ALA 2 Cb 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 19.45 17.14 1q48 n ALA 2 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1q48 n TYR 3 N 5.77 -2.67 -2.81 0.00 4.11 -1.26 -5.09 117.16 115.22 1q48 n TYR 3 Ca 0.24 -0.82 -0.10 0.00 -0.00 0.00 0.00 57.90 57.23 1q48 n TYR 3 Cb 0.20 -0.21 0.03 0.00 -0.00 0.00 0.00 39.34 39.37 1q48 n TYR 3 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1q48 n SER 4 N -2.71 -2.55 -0.23 9.48 7.64 -1.26 -4.95 113.62 119.04 1q48 n SER 4 Ca 0.06 -3.22 0.05 0.00 1.01 0.00 0.00 58.87 56.77 1q48 n SER 4 Cb 0.23 1.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 1q48 n SER 4 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q48 n GLU 5 N 1.66 2.00 -1.63 1.43 -0.58 -1.26 -5.10 120.64 117.16 1q48 n GLU 5 Ca 0.11 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 1q48 n GLU 5 Cb 0.62 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 1q48 n GLU 5 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1q48 n LYS 6 N -0.21 -4.25 -3.82 3.49 4.81 -1.26 -4.99 118.16 111.93 1q48 n LYS 6 Ca 0.04 3.21 -0.14 0.00 -0.87 0.00 0.00 58.31 60.56 1q48 n LYS 6 Cb 0.20 -3.82 -0.15 0.00 0.02 0.00 0.00 35.03 31.28 1q48 n LYS 6 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1q48 s VAL 7 N -4.24 -0.02 0.03 3.15 1.01 -1.26 -5.13 120.40 113.94 1q48 s VAL 7 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1q48 s VAL 7 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.27 1q48 s VAL 7 CO 0.00 0.05 0.68 0.27 0.00 0.00 0.00 175.10 176.10 1q48 s ILE 8 N 0.60 4.79 0.00 2.22 -4.36 -1.26 -5.06 121.20 118.13 1q48 s ILE 8 Ca -0.05 1.44 0.00 0.00 -0.26 0.00 0.00 60.65 61.78 1q48 s ILE 8 Cb -0.07 -4.02 0.00 0.00 1.25 0.00 0.00 42.46 39.62 1q48 s ILE 8 CO -0.02 0.41 0.00 -0.90 0.24 0.00 0.00 174.94 174.67 1q48 n ASP 9 N 2.66 0.00 -0.02 4.36 5.75 -1.26 -5.08 116.55 122.96 1q48 n ASP 9 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.71 1q48 n ASP 9 Cb 0.50 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 1q48 n ASP 9 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1q48 n HIS 10 N 0.00 0.14 -1.42 2.11 8.25 -1.26 -4.83 115.22 118.22 1q48 n HIS 10 Ca 0.00 0.06 -0.48 0.00 -0.26 0.00 0.00 57.72 57.04 1q48 n HIS 10 Cb 0.00 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.73 1q48 n HIS 10 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1q48 n TYR 11 N -2.98 1.14 -3.90 4.41 9.36 -1.26 -4.88 117.16 119.05 1q48 n TYR 11 Ca -0.03 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.48 1q48 n TYR 11 Cb 0.11 -2.44 -0.14 0.00 -0.63 0.00 0.00 39.34 36.24 1q48 n TYR 11 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1q48 s GLU 12 N 7.29 0.07 -0.34 2.98 0.41 -1.26 -5.08 118.70 122.77 1q48 s GLU 12 Ca 1.19 0.01 -0.06 0.00 -0.41 0.00 0.00 54.97 55.70 1q48 s GLU 12 Cb -1.06 -0.12 0.23 0.00 -1.78 0.00 0.00 34.13 31.40 1q48 s GLU 12 CO 0.50 -0.02 1.13 -1.71 -0.49 0.00 0.00 175.26 174.68 1q48 n ASN 13 N 3.28 -1.45 0.00 -0.19 2.85 -1.26 -5.15 115.26 113.34 1q48 n ASN 13 Ca -0.15 -1.20 0.00 0.00 -0.11 0.00 0.00 54.58 53.12 1q48 n ASN 13 Cb 0.58 0.75 0.00 0.00 1.24 0.00 0.00 39.78 42.35 1q48 n ASN 13 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1q48 n PRO 14 N 2.31 0.16 -4.67 1.20 -0.02 -1.26 -5.01 135.00 127.72 1q48 n PRO 14 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 1q48 n PRO 14 Cb 0.66 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 34.06 1q48 n PRO 14 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q48 s ARG 15 N 0.00 2.06 -0.30 -0.52 1.81 -1.26 -5.04 118.95 115.70 1q48 s ARG 15 Ca 0.00 -2.27 -0.32 0.00 -1.72 0.00 0.00 55.73 51.41 1q48 s ARG 15 Cb 0.00 -1.33 -0.09 0.00 -0.45 0.00 0.00 34.95 33.08 1q48 s ARG 15 CO 0.00 -0.31 2.21 -1.71 -0.68 0.00 0.00 175.30 174.81 1q48 n ASN 16 N -1.18 2.55 0.06 0.23 2.85 -1.26 -4.86 115.26 113.66 1q48 n ASN 16 Ca -0.13 0.31 -0.02 0.00 -0.11 0.00 0.00 54.58 54.63 1q48 n ASN 16 Cb 0.67 -1.38 -0.01 0.00 1.24 0.00 0.00 39.78 40.30 1q48 n ASN 16 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1q48 h VAL 17 N 7.14 0.00 0.00 3.44 2.07 -1.96 -3.20 116.25 123.73 1q48 h VAL 17 Ca -0.32 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1q48 h VAL 17 Cb 1.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1q48 h VAL 17 CO 1.00 0.00 1.09 0.61 0.02 0.00 0.00 177.57 180.29 1q48 n GLY 18 N -0.43 1.77 0.00 2.17 0.00 -1.26 -4.59 105.19 102.85 1q48 n GLY 18 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1q48 n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q48 n SER 19 N 4.30 0.00 -3.75 1.61 7.64 -1.21 -4.97 113.62 117.24 1q48 n SER 19 Ca 0.08 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.72 1q48 n SER 19 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1q48 n SER 19 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1q48 n LEU 20 N 0.00 -1.66 -0.05 -3.43 7.99 -1.26 -4.76 117.00 113.83 1q48 n LEU 20 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 56.01 55.05 1q48 n LEU 20 Cb 0.00 -1.51 0.00 0.00 -0.11 0.00 0.00 43.42 41.80 1q48 n LEU 20 CO 0.00 0.41 0.05 0.47 -1.51 0.00 0.00 177.39 176.81 1q48 n ASP 21 N -2.48 0.00 -0.59 -1.43 8.00 -1.26 -4.96 116.55 113.83 1q48 n ASP 21 Ca -0.31 -1.01 -0.01 0.00 0.71 0.00 0.00 54.79 54.17 1q48 n ASP 21 Cb 0.66 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1q48 n ASP 21 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1q48 n LYS 22 N 0.00 -1.48 -1.61 -1.24 5.02 -1.26 -4.49 118.16 113.11 1q48 n LYS 22 Ca 0.00 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1q48 n LYS 22 Cb 0.50 -3.55 0.03 0.00 -0.02 0.00 0.00 35.03 31.99 1q48 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q48 n LYS 23 N -0.59 0.20 -5.04 1.97 4.76 -1.26 -5.08 118.16 113.12 1q48 n LYS 23 Ca -0.01 -2.17 -0.29 0.00 -2.87 0.00 0.00 58.31 52.97 1q48 n LYS 23 Cb 0.07 -0.18 -0.15 0.00 -1.84 0.00 0.00 35.03 32.92 1q48 n LYS 23 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1q48 s ASP 24 N -2.19 2.76 0.00 4.39 -4.77 -1.26 -4.99 116.67 110.61 1q48 s ASP 24 Ca 0.33 -0.46 0.04 0.00 -3.30 0.00 0.00 52.55 49.16 1q48 s ASP 24 Cb 0.38 -0.29 0.24 0.00 -1.09 0.00 0.00 42.92 42.16 1q48 s ASP 24 CO -0.16 0.26 0.96 -1.20 0.70 0.00 0.00 175.17 175.74 1q48 n SER 25 N 2.29 0.00 -0.97 2.11 7.64 -1.26 -2.60 113.62 120.82 1q48 n SER 25 Ca -0.16 -1.47 0.08 0.00 1.01 0.00 0.00 58.87 58.33 1q48 n SER 25 Cb 0.52 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.96 1q48 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q48 n ASN 26 N -0.58 3.56 -3.73 6.43 3.02 -1.26 -4.83 115.26 117.87 1q48 n ASN 26 Ca 0.03 -2.21 -0.30 0.00 -0.03 0.00 0.00 54.58 52.08 1q48 n ASN 26 Cb 0.01 -0.38 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q48 s VAL 27 N -1.38 0.81 -0.08 2.41 1.01 -1.07 -2.05 120.40 120.05 1q48 s VAL 27 Ca 0.35 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 1q48 s VAL 27 Cb 0.21 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1q48 s VAL 27 CO 0.20 -0.60 0.72 -0.83 0.00 0.00 0.00 175.10 174.59 1q48 s GLY 28 N 1.66 2.58 -0.00 4.51 0.00 -1.08 -4.70 107.32 110.29 1q48 s GLY 28 Ca 0.08 0.13 0.08 0.00 0.00 0.00 0.00 44.72 45.00 1q48 s GLY 28 CO -0.23 1.24 -0.25 -1.59 0.00 0.00 0.00 173.10 172.27 1q48 s THR 29 N 0.94 1.97 -0.22 0.90 2.01 -1.26 -2.11 115.64 117.87 1q48 s THR 29 Ca 0.38 -1.12 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 1q48 s THR 29 Cb -0.18 -1.65 0.09 0.00 0.01 0.00 0.00 72.50 70.78 1q48 s THR 29 CO 0.18 0.50 0.84 -0.83 -0.69 0.00 0.00 174.62 174.62 1q48 s GLY 30 N -0.73 -0.40 0.01 4.40 0.00 -0.85 -4.15 107.32 105.60 1q48 s GLY 30 Ca 0.10 2.09 -0.02 0.00 0.00 0.00 0.00 44.72 46.89 1q48 s GLY 30 CO -0.00 1.55 0.02 -3.16 0.00 0.00 0.00 173.10 171.51 1q48 s MET 31 N -0.12 0.29 0.37 2.90 0.23 -1.26 -0.65 119.30 121.05 1q48 s MET 31 Ca -0.01 -0.40 0.06 0.00 -1.03 0.00 0.00 55.69 54.31 1q48 s MET 31 Cb -0.04 0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 33.35 1q48 s MET 31 CO 0.01 -0.05 0.23 1.33 -2.03 0.00 0.00 175.02 174.50 1q48 n VAL 32 N 1.92 0.00 -3.71 5.16 0.24 -0.61 -4.98 118.33 116.34 1q48 n VAL 32 Ca -0.21 -2.44 -0.10 0.00 -2.04 0.00 0.00 64.34 59.55 1q48 n VAL 32 Cb 0.56 1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.96 1q48 n VAL 32 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1q48 s GLY 33 N -3.43 -0.12 -0.42 7.63 0.00 -1.26 -0.47 107.32 109.24 1q48 s GLY 33 Ca 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1q48 s GLY 33 CO 0.23 -0.30 0.21 0.00 0.00 0.00 0.00 173.10 173.24 1q48 s ALA 34 N -3.85 2.25 0.58 3.20 0.00 0.01 -4.96 121.76 118.98 1q48 s ALA 34 Ca 0.08 -2.54 0.31 0.00 0.00 0.00 0.00 51.96 49.80 1q48 s ALA 34 Cb 0.00 -1.89 1.41 0.00 0.00 0.00 0.00 23.12 22.64 1q48 s ALA 34 CO -0.06 -1.98 1.78 -1.35 0.00 0.00 0.00 175.76 174.15 1q48 h PRO 35 N 6.95 0.00 -0.88 0.00 0.11 -1.95 0.11 132.00 136.34 1q48 h PRO 35 Ca -0.04 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.28 1q48 h PRO 35 Cb 0.94 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 1q48 h PRO 35 CO 0.51 0.00 0.59 0.00 -0.21 0.00 0.00 178.00 178.89 1q48 h ALA 36 N 1.30 2.31 0.00 -0.75 0.00 -1.97 -2.59 119.26 117.56 1q48 h ALA 36 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1q48 h ALA 36 Cb 1.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1q48 h ALA 36 CO -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1q48 n GLY 38 N -0.19 -1.23 2.83 0.00 0.00 -0.14 -4.99 105.19 101.47 1q48 n GLY 38 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 1q48 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q48 s ASP 39 N -2.92 0.00 -0.17 1.61 1.01 -1.19 -4.87 116.67 110.15 1q48 s ASP 39 Ca 0.04 0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.40 1q48 s ASP 39 Cb -0.01 0.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.93 1q48 s ASP 39 CO 0.77 -0.12 -0.08 -0.69 0.21 0.00 0.00 175.17 175.26 1q48 s VAL 40 N 0.98 3.38 0.08 -1.27 1.01 -1.26 -0.81 120.40 122.52 1q48 s VAL 40 Ca -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1q48 s VAL 40 Cb -0.11 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1q48 s VAL 40 CO -0.04 0.48 -0.04 -0.32 0.00 0.00 0.00 175.10 175.18 1q48 s MET 41 N 0.73 2.40 -0.13 2.72 1.75 0.38 -4.33 119.30 122.81 1q48 s MET 41 Ca -0.04 -0.89 0.01 0.00 -1.25 0.00 0.00 55.69 53.53 1q48 s MET 41 Cb -0.15 -2.45 0.02 0.00 2.84 0.00 0.00 34.83 35.09 1q48 s MET 41 CO 0.02 0.54 -0.15 -1.14 -0.65 0.00 0.00 175.02 173.64 1q48 s GLN 42 N -2.15 2.26 -0.09 4.11 0.74 -0.52 -1.57 119.66 122.43 1q48 s GLN 42 Ca 0.23 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 55.10 1q48 s GLN 42 Cb -0.11 -1.99 -0.02 0.00 1.10 0.00 0.00 33.01 31.99 1q48 s GLN 42 CO 0.15 -0.14 -0.15 -1.17 -0.55 0.00 0.00 175.29 173.44 1q48 s LEU 43 N 1.21 2.67 -0.11 3.68 2.96 0.18 -1.34 118.68 127.93 1q48 s LEU 43 Ca -0.01 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1q48 s LEU 43 Cb -0.14 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 45.02 1q48 s LEU 43 CO -0.06 0.25 0.02 -1.10 -1.32 0.00 0.00 176.35 174.14 1q48 s GLN 44 N -0.16 0.55 0.23 1.98 -0.21 0.39 -2.00 119.66 120.44 1q48 s GLN 44 Ca -0.01 -0.02 0.06 0.00 0.02 0.00 0.00 55.36 55.41 1q48 s GLN 44 Cb -0.13 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.56 1q48 s GLN 44 CO 0.03 -0.41 0.23 0.96 -2.12 0.00 0.00 175.29 173.98 1q48 s ILE 45 N 1.97 4.68 -0.01 1.08 -4.36 -0.90 -0.37 121.20 123.29 1q48 s ILE 45 Ca 0.03 -1.23 0.05 0.00 -0.26 0.00 0.00 60.65 59.25 1q48 s ILE 45 Cb -0.14 -3.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.05 1q48 s ILE 45 CO -0.06 -0.30 -0.17 -0.75 0.24 0.00 0.00 174.94 173.90 1q48 s LYS 46 N -3.75 1.35 0.09 0.37 2.20 -0.44 -2.62 119.74 116.94 1q48 s LYS 46 Ca 0.33 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.37 1q48 s LYS 46 Cb -0.09 -1.32 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 1q48 s LYS 46 CO 0.26 0.36 -0.18 0.08 -0.36 0.00 0.00 175.35 175.51 1q48 s VAL 47 N -0.45 1.45 0.00 4.02 1.01 -0.87 -2.40 120.40 123.16 1q48 s VAL 47 Ca 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1q48 s VAL 47 Cb -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1q48 s VAL 47 CO -0.00 -0.15 0.00 -0.90 0.00 0.00 0.00 175.10 174.05 1q48 n ASP 48 N 1.13 0.00 -0.29 3.32 5.75 -0.63 -4.82 116.55 121.01 1q48 n ASP 48 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 1q48 n ASP 48 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1q48 n ASP 48 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1q48 n ASP 49 N 0.00 0.00 0.00 -1.12 9.92 -1.26 -4.90 116.55 119.19 1q48 n ASP 49 Ca 0.00 -1.11 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1q48 n ASP 49 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q48 n ASN 50 N 0.00 0.10 0.00 -2.24 3.02 -1.26 -4.99 115.26 109.88 1q48 n ASN 50 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1q48 n ASN 50 Cb 0.52 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q48 n GLY 51 N 0.27 1.31 3.89 7.41 0.00 -1.26 -5.06 105.19 111.75 1q48 n GLY 51 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1q48 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q48 s ILE 52 N -2.00 5.36 -0.34 -0.61 -1.09 -1.26 -2.63 121.20 118.63 1q48 s ILE 52 Ca 0.00 0.13 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 1q48 s ILE 52 Cb 0.00 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1q48 s ILE 52 CO 0.00 0.42 0.66 -0.63 -1.23 0.00 0.00 174.94 174.15 1q48 s ILE 53 N -1.24 4.88 -0.08 2.92 1.01 -1.01 -1.61 121.20 126.07 1q48 s ILE 53 Ca 0.25 0.70 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 1q48 s ILE 53 Cb -0.13 -4.07 -0.26 0.00 0.01 0.00 0.00 42.46 38.00 1q48 s ILE 53 CO 0.14 -0.28 0.53 -0.08 0.00 0.00 0.00 174.94 175.25 1q48 h GLU 54 N 8.38 0.22 -4.32 2.79 4.81 -1.80 -1.30 114.58 123.38 1q48 h GLU 54 Ca -0.26 -0.38 -0.18 0.00 -0.13 0.00 0.00 59.36 58.40 1q48 h GLU 54 Cb 1.11 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1q48 h GLU 54 CO 0.84 1.07 -0.52 -0.51 -0.73 0.00 0.00 179.01 179.16 1q48 s ASP 55 N -6.87 0.14 -0.25 1.04 1.01 -1.25 -4.68 116.67 105.81 1q48 s ASP 55 Ca -0.16 -1.21 -0.02 0.00 0.71 0.00 0.00 52.55 51.87 1q48 s ASP 55 Cb 0.07 0.39 0.13 0.00 1.01 0.00 0.00 42.92 44.52 1q48 s ASP 55 CO 0.80 -0.86 0.31 0.00 0.21 0.00 0.00 175.17 175.63 1q48 s ALA 56 N -4.08 -0.66 -0.09 5.23 0.00 -1.26 -1.32 121.76 119.57 1q48 s ALA 56 Ca 0.30 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 1q48 s ALA 56 Cb 0.06 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1q48 s ALA 56 CO 0.07 -1.44 0.15 0.21 0.00 0.00 0.00 175.76 174.75 1q48 s LYS 57 N 2.42 3.45 0.33 0.00 2.47 0.50 -4.97 119.74 123.93 1q48 s LYS 57 Ca 0.10 -0.16 0.07 0.00 -1.56 0.00 0.00 55.97 54.41 1q48 s LYS 57 Cb -0.15 -3.17 -0.03 0.00 -1.46 0.00 0.00 37.83 33.02 1q48 s LYS 57 CO -0.22 0.75 0.28 -0.59 0.16 0.00 0.00 175.35 175.73 1q48 s PHE 58 N -1.10 1.75 -0.29 4.03 -0.71 -1.26 -0.46 117.98 119.94 1q48 s PHE 58 Ca 0.18 -1.66 -0.14 0.00 -1.04 0.00 0.00 56.93 54.27 1q48 s PHE 58 Cb -0.12 -0.71 0.13 0.00 -1.21 0.00 0.00 43.02 41.11 1q48 s PHE 58 CO 0.07 -0.87 0.82 0.21 -1.34 0.00 0.00 175.22 174.12 1q48 s LYS 59 N -3.46 0.48 0.00 1.99 2.20 -0.45 -4.95 119.74 115.55 1q48 s LYS 59 Ca 0.41 1.05 0.01 0.00 -0.36 0.00 0.00 55.97 57.08 1q48 s LYS 59 Cb 0.02 0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.80 1q48 s LYS 59 CO 0.27 -0.14 -0.04 0.95 -0.36 0.00 0.00 175.35 176.04 1q48 s THR 60 N 2.24 0.27 -0.25 3.43 -4.23 -1.26 -1.44 115.64 114.39 1q48 s THR 60 Ca -0.06 -0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.00 1q48 s THR 60 Cb -0.07 -0.26 0.07 0.00 1.34 0.00 0.00 72.50 73.58 1q48 s THR 60 CO -0.18 -0.00 0.65 -0.47 -0.54 0.00 0.00 174.62 174.07 1q48 s TYR 61 N -0.28 -0.87 0.00 3.99 6.14 -1.26 -5.01 117.35 120.06 1q48 s TYR 61 Ca -0.01 1.89 0.00 0.00 0.64 0.00 0.00 57.07 59.59 1q48 s TYR 61 Cb -0.03 0.43 0.00 0.00 0.42 0.00 0.00 41.96 42.79 1q48 s TYR 61 CO -0.00 -0.43 0.00 0.41 0.64 0.00 0.00 175.55 176.17 1q48 n GLY 62 N 3.63 2.24 3.71 8.97 0.00 -1.26 -4.59 105.19 117.89 1q48 n GLY 62 Ca -0.18 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1q48 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n GLY 64 N 3.49 4.99 0.00 0.00 0.00 -1.26 -4.08 105.19 108.33 1q48 n GLY 64 Ca -0.08 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.47 1q48 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q48 n SER 65 N 2.24 0.00 -0.87 1.61 7.64 -1.26 -4.91 113.62 118.06 1q48 n SER 65 Ca 0.30 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.27 1q48 n SER 65 Cb 0.34 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.72 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q48 n ALA 66 N 0.00 2.34 -0.05 -0.43 0.00 -1.26 -4.52 120.51 116.59 1q48 n ALA 66 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 1q48 n ALA 66 Cb 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 1q48 n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1q48 h ILE 67 N 3.20 1.21 -0.89 0.00 2.04 -1.91 -2.44 117.51 118.72 1q48 h ILE 67 Ca 0.00 -1.84 0.24 0.00 1.00 0.00 0.00 64.86 64.26 1q48 h ILE 67 Cb 0.80 2.26 -0.15 0.00 -0.74 0.00 0.00 36.82 38.99 1q48 h ILE 67 CO 0.00 0.40 0.16 0.00 0.00 0.00 0.00 178.15 178.71 1q48 h ALA 68 N -0.29 1.21 -0.27 1.87 0.00 -1.98 0.61 119.26 120.40 1q48 h ALA 68 Ca -0.00 0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1q48 h ALA 68 Cb 0.67 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1q48 h ALA 68 CO 0.00 -0.50 -0.51 1.03 0.00 0.00 0.00 179.25 179.27 1q48 h SER 69 N 0.14 0.85 -1.01 0.00 0.87 -1.83 -2.39 113.55 110.18 1q48 h SER 69 Ca 0.55 -0.44 0.09 0.00 -1.23 0.00 0.00 61.79 60.76 1q48 h SER 69 Cb 1.12 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.76 1q48 h SER 69 CO -0.72 1.20 0.64 -1.28 -0.53 0.00 0.00 176.83 176.15 1q48 h SER 70 N 0.60 1.00 0.46 6.23 0.87 0.65 0.12 113.55 123.48 1q48 h SER 70 Ca 0.02 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.44 1q48 h SER 70 Cb 1.09 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1q48 h SER 70 CO 0.11 0.60 -0.72 0.77 -0.53 0.00 0.00 176.83 177.05 1q48 h SER 71 N 1.11 0.26 0.52 6.23 4.64 -0.98 -2.42 113.55 122.91 1q48 h SER 71 Ca 0.46 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1q48 h SER 71 Cb 0.30 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1q48 h SER 71 CO -0.21 0.90 -0.25 0.25 -0.87 0.00 0.00 176.83 176.65 1q48 h LEU 72 N 0.15 -0.59 -0.91 5.97 5.85 -0.59 -1.50 115.31 123.69 1q48 h LEU 72 Ca -0.02 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.84 1q48 h LEU 72 Cb 1.28 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.37 1q48 h LEU 72 CO 0.11 -0.18 0.51 -0.29 -0.34 0.00 0.00 178.44 178.25 1q48 h ILE 73 N -1.15 0.75 -0.19 4.05 2.10 -0.93 0.42 117.51 122.57 1q48 h ILE 73 Ca -0.07 -0.24 -0.04 0.00 1.08 0.00 0.00 64.86 65.59 1q48 h ILE 73 Cb 0.57 -0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.27 1q48 h ILE 73 CO 0.12 0.13 -0.06 0.71 -1.08 0.00 0.00 178.15 177.97 1q48 h THR 74 N 0.71 1.15 -0.01 2.19 1.35 -1.41 -0.35 112.91 116.55 1q48 h THR 74 Ca 0.50 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1q48 h THR 74 Cb 0.69 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1q48 h THR 74 CO -0.35 0.21 -0.18 1.21 -0.25 0.00 0.00 175.52 176.16 1q48 n GLU 75 N -4.32 0.78 -0.05 4.72 2.13 0.12 -3.67 120.64 120.35 1q48 n GLU 75 Ca -0.00 -0.38 -0.02 0.00 0.66 0.00 0.00 57.16 57.42 1q48 n GLU 75 Cb 0.22 -1.49 -0.15 0.00 0.27 0.00 0.00 31.44 30.29 1q48 n GLU 75 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1q48 n TRP 76 N -0.78 0.22 -0.44 4.31 -0.00 0.45 -4.12 117.44 117.07 1q48 n TRP 76 Ca 0.13 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.71 1q48 n TRP 76 Cb 0.31 -0.89 0.26 0.00 -0.00 0.00 0.00 31.31 31.00 1q48 n TRP 76 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1q48 n VAL 77 N -2.65 2.16 -3.38 5.87 0.24 -0.52 -4.73 118.33 115.31 1q48 n VAL 77 Ca -0.20 -1.11 -0.39 0.00 -2.04 0.00 0.00 64.34 60.60 1q48 n VAL 77 Cb 0.93 -0.40 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 1q48 n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q48 s LYS 78 N -2.32 4.03 0.00 7.34 2.20 -1.25 -3.91 119.74 125.83 1q48 s LYS 78 Ca 0.40 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1q48 s LYS 78 Cb 0.32 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1q48 s LYS 78 CO 0.11 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1q48 n GLY 79 N 4.62 0.73 0.00 5.54 0.00 -0.49 -5.03 105.19 110.57 1q48 n GLY 79 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1q48 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q48 n LYS 80 N -2.49 0.53 -4.37 1.61 4.76 -1.25 -4.76 118.16 112.18 1q48 n LYS 80 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1q48 n LYS 80 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1q48 n LYS 80 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1q48 s SER 81 N -1.00 3.06 0.54 4.39 0.15 -1.26 -2.40 113.70 117.18 1q48 s SER 81 Ca 0.00 -0.80 0.22 0.00 0.70 0.00 0.00 55.95 56.07 1q48 s SER 81 Cb 0.00 -0.20 1.42 0.00 -1.71 0.00 0.00 66.02 65.53 1q48 s SER 81 CO 0.00 0.09 2.10 -0.07 1.20 0.00 0.00 173.24 176.56 1q48 h LEU 82 N 3.57 0.00 -1.29 3.45 3.38 -1.89 0.20 115.31 122.73 1q48 h LEU 82 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1q48 h LEU 82 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1q48 h LEU 82 CO 0.45 0.00 0.33 -0.08 0.09 0.00 0.00 178.44 179.23 1q48 h GLU 83 N 0.00 0.82 0.10 1.13 4.81 -1.94 -1.71 114.58 117.78 1q48 h GLU 83 Ca 0.09 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1q48 h GLU 83 Cb 0.39 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1q48 h GLU 83 CO -0.00 0.60 -0.05 0.93 -0.73 0.00 0.00 179.01 179.76 1q48 h GLU 84 N 0.83 -0.13 -1.41 1.92 4.39 -1.38 -3.21 114.58 115.59 1q48 h GLU 84 Ca 0.21 0.01 0.42 0.00 0.34 0.00 0.00 59.36 60.34 1q48 h GLU 84 Cb 0.02 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.61 1q48 h GLU 84 CO -0.04 0.24 0.97 0.00 -1.16 0.00 0.00 179.01 179.03 1q48 h ALA 85 N -0.58 3.08 -0.64 3.43 0.00 -1.34 1.14 119.26 124.35 1q48 h ALA 85 Ca -0.01 0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1q48 h ALA 85 Cb 0.43 0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.16 1q48 h ALA 85 CO 0.02 -1.57 0.55 0.41 0.00 0.00 0.00 179.25 178.67 1q48 n GLY 86 N -1.70 4.58 0.11 0.00 0.00 -0.65 -4.14 105.19 103.40 1q48 n GLY 86 Ca 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1q48 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 n ALA 87 N -0.08 0.00 -0.71 4.61 0.00 0.38 -5.00 120.51 119.71 1q48 n ALA 87 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1q48 n ALA 87 Cb 0.65 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.19 1q48 n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q48 n ILE 88 N -1.56 0.00 -3.95 0.00 -5.35 -0.05 -5.02 119.36 103.44 1q48 n ILE 88 Ca 0.00 -0.06 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 1q48 n ILE 88 Cb 0.00 -0.28 -0.02 0.00 -1.74 0.00 0.00 39.64 37.60 1q48 n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1q48 n LYS 89 N 0.02 0.70 0.06 6.28 5.02 -1.26 -5.04 118.16 123.95 1q48 n LYS 89 Ca 0.02 -2.40 0.12 0.00 -2.02 0.00 0.00 58.31 54.02 1q48 n LYS 89 Cb 0.40 2.43 0.06 0.00 -0.02 0.00 0.00 35.03 37.90 1q48 n LYS 89 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1q48 n ASN 90 N -1.63 0.70 -0.23 4.39 6.94 -1.26 -4.10 115.26 120.06 1q48 n ASN 90 Ca -0.01 0.10 0.03 0.00 -0.02 0.00 0.00 54.58 54.67 1q48 n ASN 90 Cb 0.53 0.49 0.14 0.00 -2.36 0.00 0.00 39.78 38.58 1q48 n ASN 90 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1q48 h SER 91 N 0.00 0.20 0.02 0.53 4.64 -1.96 0.14 113.55 117.12 1q48 h SER 91 Ca 0.00 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1q48 h SER 91 Cb 0.84 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1q48 h SER 91 CO 0.00 0.09 -0.01 -0.61 -0.87 0.00 0.00 176.83 175.43 1q48 h GLN 92 N 0.39 -0.03 -1.00 4.77 -0.00 -1.99 0.13 115.11 117.39 1q48 h GLN 92 Ca 0.36 0.00 0.39 0.00 -0.00 0.00 0.00 58.65 59.40 1q48 h GLN 92 Cb 0.51 0.01 -0.17 0.00 0.00 0.00 0.00 27.48 27.83 1q48 h GLN 92 CO -0.37 -0.02 0.55 0.82 0.00 0.00 0.00 178.83 179.81 1q48 h ILE 93 N -0.03 0.11 -0.44 2.39 2.04 -1.72 1.16 117.51 121.01 1q48 h ILE 93 Ca -0.00 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 1q48 h ILE 93 Cb 0.02 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1q48 h ILE 93 CO 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 178.15 178.09 1q48 h ALA 94 N 1.94 0.60 0.00 1.87 0.00 -0.52 -1.93 119.26 121.22 1q48 h ALA 94 Ca 0.81 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1q48 h ALA 94 Cb 2.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1q48 h ALA 94 CO -0.71 0.47 0.00 -1.91 0.00 0.00 0.00 179.25 177.10 1q48 n GLU 95 N -4.31 0.06 -0.08 0.00 2.13 0.39 0.10 120.64 118.92 1q48 n GLU 95 Ca -0.00 0.35 -0.13 0.00 0.66 0.00 0.00 57.16 58.04 1q48 n GLU 95 Cb 0.36 -1.62 -0.07 0.00 0.27 0.00 0.00 31.44 30.38 1q48 n GLU 95 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1q48 h GLU 96 N 0.00 0.00 -0.00 5.31 4.81 -0.41 -3.36 114.58 120.93 1q48 h GLU 96 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1q48 h GLU 96 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1q48 h GLU 96 CO 0.00 0.52 -0.07 1.28 -0.73 0.00 0.00 179.01 180.01 1q48 n LEU 97 N -4.55 0.15 -1.69 1.64 4.77 -0.91 -4.87 117.00 111.54 1q48 n LEU 97 Ca -0.18 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1q48 n LEU 97 Cb 0.44 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1q48 n LEU 97 CO 0.15 0.03 -0.10 1.21 -1.33 0.00 0.00 177.39 177.36 1q48 n GLU 98 N -1.31 -1.64 -1.36 3.23 4.07 0.11 -4.81 120.64 118.94 1q48 n GLU 98 Ca 0.11 0.49 -0.39 0.00 -0.06 0.00 0.00 57.16 57.31 1q48 n GLU 98 Cb 0.29 -4.80 0.02 0.00 -0.06 0.00 0.00 31.44 26.88 1q48 n GLU 98 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1q48 n LEU 99 N -1.99 -1.58 -4.69 4.31 -0.00 -1.25 -4.90 117.00 106.89 1q48 n LEU 99 Ca -0.10 0.73 -0.30 0.00 -0.00 0.00 0.00 56.01 56.35 1q48 n LEU 99 Cb 0.40 -1.00 0.15 0.00 -0.00 0.00 0.00 43.42 42.96 1q48 n LEU 99 CO 0.13 -3.89 0.66 -2.16 -0.00 0.00 0.00 177.39 172.12 1q48 s PRO 100 N -1.45 1.13 0.00 1.47 0.04 -1.26 -4.91 135.00 130.01 1q48 s PRO 100 Ca 0.62 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1q48 s PRO 100 Cb -0.50 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1q48 s PRO 100 CO 0.61 -2.37 0.58 -0.35 0.04 0.00 0.00 177.00 175.50 1q48 n PRO 101 N -3.99 1.00 -0.01 0.56 -0.04 -1.26 -3.35 135.00 127.91 1q48 n PRO 101 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1q48 n PRO 101 Cb 0.54 -1.42 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1q48 n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1q48 n VAL 102 N -0.08 0.04 -1.09 0.52 0.31 -1.26 -4.53 118.33 112.24 1q48 n VAL 102 Ca 0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1q48 n VAL 102 Cb 0.21 1.21 0.00 0.00 -0.91 0.00 0.00 33.84 34.35 1q48 n VAL 102 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1q48 n LYS 103 N 0.63 0.00 0.01 5.55 5.02 -1.21 -4.83 118.16 123.33 1q48 n LYS 103 Ca 0.07 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1q48 n LYS 103 Cb 0.29 -0.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.82 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q48 n VAL 104 N 0.00 0.49 -0.25 -0.18 0.31 -1.25 -0.30 118.33 117.15 1q48 n VAL 104 Ca 0.00 0.52 0.01 0.00 -0.01 0.00 0.00 64.34 64.85 1q48 n VAL 104 Cb 0.51 -1.52 0.23 0.00 -0.91 0.00 0.00 33.84 32.15 1q48 n VAL 104 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1q48 h HIS 105 N 0.00 1.00 0.07 3.52 3.86 -1.93 -0.70 115.15 120.97 1q48 h HIS 105 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1q48 h HIS 105 Cb 0.77 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1q48 h HIS 105 CO 0.00 0.62 -0.03 0.00 0.86 0.00 0.00 177.93 179.38 1q48 h SER 107 N -0.12 -0.31 -1.12 0.00 0.87 -1.63 -1.41 113.55 109.83 1q48 h SER 107 Ca -0.01 -0.02 0.32 0.00 -1.23 0.00 0.00 61.79 60.85 1q48 h SER 107 Cb 0.10 0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 62.03 1q48 h SER 107 CO 0.02 -0.19 0.71 0.40 -0.53 0.00 0.00 176.83 177.24 1q48 h ILE 108 N -0.41 0.39 0.00 2.23 2.04 -1.02 1.22 117.51 121.96 1q48 h ILE 108 Ca -0.04 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1q48 h ILE 108 Cb 0.31 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1q48 h ILE 108 CO 0.06 0.05 -0.64 -0.07 0.00 0.00 0.00 178.15 177.56 1q48 h LEU 109 N 0.30 0.00 0.09 1.44 4.07 -0.54 -2.56 115.31 118.12 1q48 h LEU 109 Ca 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.62 1q48 h LEU 109 Cb 1.82 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.56 1q48 h LEU 109 CO -0.35 0.64 -0.04 0.00 -1.08 0.00 0.00 178.44 177.60 1q48 h ALA 110 N 1.36 -0.12 0.43 1.53 0.00 0.25 0.19 119.26 122.91 1q48 h ALA 110 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1q48 h ALA 110 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1q48 h ALA 110 CO 0.08 -0.54 -0.21 1.49 0.00 0.00 0.00 179.25 180.08 1q48 h GLU 111 N -0.18 -0.56 -1.29 0.00 4.81 -1.50 -2.79 114.58 113.07 1q48 h GLU 111 Ca -0.01 0.04 0.40 0.00 -0.13 0.00 0.00 59.36 59.65 1q48 h GLU 111 Cb 0.15 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.55 1q48 h GLU 111 CO 0.02 -0.37 0.85 0.22 -0.73 0.00 0.00 179.01 179.00 1q48 h ASP 112 N -0.79 0.25 0.45 1.04 3.58 -1.50 0.02 116.42 119.47 1q48 h ASP 112 Ca -0.06 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1q48 h ASP 112 Cb 0.44 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1q48 h ASP 112 CO 0.10 -0.09 -0.27 0.00 -2.88 0.00 0.00 179.24 176.09 1q48 h ALA 113 N 1.54 -1.11 -0.35 -0.78 0.00 -0.40 0.57 119.26 118.73 1q48 h ALA 113 Ca 0.75 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.62 1q48 h ALA 113 Cb 2.39 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 20.54 1q48 h ALA 113 CO -0.32 -1.09 0.76 0.97 0.00 0.00 0.00 179.25 179.57 1q48 h ILE 114 N -0.68 0.08 0.18 0.00 6.09 -0.75 -0.48 117.51 121.96 1q48 h ILE 114 Ca -0.06 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.42 1q48 h ILE 114 Cb 0.54 0.32 0.00 0.00 0.47 0.00 0.00 36.82 38.15 1q48 h ILE 114 CO 0.06 0.00 -0.09 0.50 -3.07 0.00 0.00 178.15 175.56 1q48 h LYS 115 N 0.00 -0.23 -0.97 2.19 3.64 -0.41 -2.51 116.57 118.28 1q48 h LYS 115 Ca 0.17 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.74 1q48 h LYS 115 Cb 1.68 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 33.38 1q48 h LYS 115 CO -0.00 -0.16 -0.30 0.00 -2.27 0.00 0.00 179.45 176.73 1q48 h ALA 116 N -1.47 0.46 -0.01 5.00 0.00 0.41 0.40 119.26 124.05 1q48 h ALA 116 Ca -0.02 0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1q48 h ALA 116 Cb 0.19 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1q48 h ALA 116 CO 0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 179.25 178.69 1q48 h ALA 117 N 1.74 -0.13 -0.85 0.00 0.00 -1.58 -1.67 119.26 116.76 1q48 h ALA 117 Ca 0.42 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.52 1q48 h ALA 117 Cb 0.67 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1q48 h ALA 117 CO -0.99 -0.61 0.38 0.82 0.00 0.00 0.00 179.25 178.85 1q48 h ILE 118 N -0.20 0.57 0.28 0.00 2.04 0.21 -1.96 117.51 118.45 1q48 h ILE 118 Ca 0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1q48 h ILE 118 Cb 0.26 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1q48 h ILE 118 CO -0.13 0.08 -0.24 0.00 0.00 0.00 0.00 178.15 177.87 1q48 h ALA 119 N 1.64 -0.99 -0.07 1.87 0.00 -0.21 -1.78 119.26 119.73 1q48 h ALA 119 Ca 0.50 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1q48 h ALA 119 Cb 0.86 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1q48 h ALA 119 CO -0.46 -0.99 -0.08 0.22 0.00 0.00 0.00 179.25 177.94 1q48 h ASP 120 N -0.50 -0.26 -0.77 0.00 3.58 -1.06 0.33 116.42 117.74 1q48 h ASP 120 Ca -0.04 0.04 0.27 0.00 0.42 0.00 0.00 57.03 57.72 1q48 h ASP 120 Cb 0.42 0.11 -0.14 0.00 1.72 0.00 0.00 39.33 41.44 1q48 h ASP 120 CO -0.00 -0.05 0.23 0.00 -2.88 0.00 0.00 179.24 176.54 1q48 n TYR 121 N -3.12 0.71 0.04 0.28 4.19 -0.79 0.18 117.16 118.65 1q48 n TYR 121 Ca -0.00 0.91 -0.13 0.00 3.31 0.00 0.00 57.90 61.99 1q48 n TYR 121 Cb 0.04 -1.21 -0.09 0.00 0.49 0.00 0.00 39.34 38.57 1q48 n TYR 121 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1q48 h LYS 122 N 0.00 -0.12 -0.60 2.98 3.64 0.44 -3.18 116.57 119.73 1q48 h LYS 122 Ca 0.57 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.88 1q48 h LYS 122 Cb 1.38 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1q48 h LYS 122 CO -0.65 0.29 0.06 0.00 -2.27 0.00 0.00 179.45 176.87 1q48 h ALA 123 N 0.27 0.98 0.00 5.00 0.00 0.38 -1.67 119.26 124.21 1q48 h ALA 123 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1q48 h ALA 123 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1q48 h ALA 123 CO 0.02 0.63 0.12 1.63 0.00 0.00 0.00 179.25 181.66 1q48 n LYS 124 N -4.21 0.00 -2.67 0.00 5.02 0.48 -1.22 118.16 115.56 1q48 n LYS 124 Ca 0.04 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1q48 n LYS 124 Cb 0.30 -1.62 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1q48 n LYS 124 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1q48 n GLN 125 N -1.20 1.55 0.00 1.97 7.27 -0.63 -4.62 117.38 121.72 1q48 n GLN 125 Ca 0.00 -3.50 0.00 0.00 0.07 0.00 0.00 57.00 53.57 1q48 n GLN 125 Cb 0.12 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q48 n GLY 126 N -0.11 -0.08 0.38 1.69 0.00 -0.36 -4.88 105.19 101.83 1q48 n GLY 126 Ca 0.15 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.31 1q48 n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q48 h LEU 127 N 0.00 0.25 0.00 0.99 6.46 -1.88 -3.41 115.31 117.72 1q48 h LEU 127 Ca 0.00 0.01 -0.36 0.00 -0.12 0.00 0.00 57.88 57.41 1q48 h LEU 127 Cb 0.00 -0.04 0.18 0.00 -0.73 0.00 0.00 40.66 40.08 1q48 h LEU 127 CO 0.00 0.13 0.08 -0.62 -0.62 0.00 0.00 178.44 177.41 1q48 n GLU 128 N -4.44 -3.17 -2.19 1.25 -0.58 -1.26 -5.03 120.64 105.22 1q48 n GLU 128 Ca 0.13 -1.58 -0.27 0.00 -0.42 0.00 0.00 57.16 55.03 1q48 n GLU 128 Cb 0.57 -1.53 0.13 0.00 -0.57 0.00 0.00 31.44 30.04 1q48 n GLU 128 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1q48 s HIS 129 N -2.73 1.96 0.00 -0.32 3.76 -1.26 -5.10 115.29 111.59 1q48 s HIS 129 Ca 0.65 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1q48 s HIS 129 Cb -0.07 -3.54 0.00 0.00 1.11 0.00 0.00 32.58 30.08 1q48 s HIS 129 CO 0.50 -2.04 0.00 -2.39 -0.85 0.00 0.00 174.74 169.96 1q48 n HIS 130 N -3.27 0.00 -1.72 1.40 1.44 -1.26 -4.99 115.22 106.82 1q48 n HIS 130 Ca 0.13 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.53 1q48 n HIS 130 Cb 0.60 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.75 1q48 n HIS 130 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1q48 s HIS 131 N 3.50 3.12 -0.13 -1.40 -3.43 -1.26 -5.04 115.29 110.65 1q48 s HIS 131 Ca 0.00 1.44 -0.07 0.00 -0.80 0.00 0.00 55.06 55.63 1q48 s HIS 131 Cb 0.00 -2.90 -0.04 0.00 -1.43 0.00 0.00 32.58 28.21 1q48 s HIS 131 CO 0.00 -1.15 0.12 -1.01 -2.00 0.00 0.00 174.74 170.70 1q48 s HIS 132 N -2.91 3.49 0.00 0.38 3.76 -1.26 -5.05 115.29 113.71 1q48 s HIS 132 Ca 0.59 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 1q48 s HIS 132 Cb -0.14 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1q48 s HIS 132 CO 0.50 0.59 0.00 -2.39 -0.85 0.00 0.00 174.74 172.59 1q48 n HIS 133 N 2.37 0.00 -0.43 1.40 1.44 -1.26 -5.34 115.22 113.41 1q48 n HIS 133 Ca -0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 1q48 n HIS 133 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1q48 n HIS 133 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14