#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 4.51 -0.25 3.04 0.00 -1.26 -4.65 120.51 121.90 1q48 n ALA 2 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 1q48 n ALA 2 Cb 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1q48 n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q48 n TYR 3 N -1.55 0.44 0.65 0.00 4.01 -1.26 -4.37 117.16 115.08 1q48 n TYR 3 Ca 0.04 -0.97 0.12 0.00 -0.16 0.00 0.00 57.90 56.92 1q48 n TYR 3 Cb 0.35 -0.95 0.46 0.00 -0.31 0.00 0.00 39.34 38.89 1q48 n TYR 3 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1q48 n SER 4 N 4.87 0.35 -0.13 7.72 7.64 -1.26 -3.62 113.62 129.19 1q48 n SER 4 Ca 0.15 0.56 -0.27 0.00 1.01 0.00 0.00 58.87 60.32 1q48 n SER 4 Cb 0.05 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.51 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 -1.85 0.60 -3.26 1.43 4.71 -1.26 -5.04 120.64 115.97 1q48 n GLU 5 Ca 0.05 0.27 -0.17 0.00 -0.01 0.00 0.00 57.16 57.30 1q48 n GLU 5 Cb 0.29 -1.52 0.01 0.00 -1.01 0.00 0.00 31.44 29.21 1q48 n GLU 5 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1q48 n LYS 6 N -4.09 -1.83 -4.86 3.49 3.00 -1.24 -5.00 118.16 107.63 1q48 n LYS 6 Ca -0.51 1.52 -0.26 0.00 -0.00 0.00 0.00 58.31 59.05 1q48 n LYS 6 Cb 0.89 -4.13 -0.15 0.00 0.00 0.00 0.00 35.03 31.64 1q48 n LYS 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1q48 s VAL 7 N -2.51 1.63 0.07 3.15 -7.23 -1.26 -5.14 120.40 109.11 1q48 s VAL 7 Ca 0.17 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1q48 s VAL 7 Cb -0.03 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 1q48 s VAL 7 CO 0.82 0.36 0.08 -0.51 -0.31 0.00 0.00 175.10 175.53 1q48 s ILE 8 N -0.61 0.18 0.50 -0.62 2.07 -1.26 -5.13 121.20 116.33 1q48 s ILE 8 Ca 0.08 -1.50 -0.24 0.00 -1.41 0.00 0.00 60.65 57.58 1q48 s ILE 8 Cb -0.08 -1.43 -0.07 0.00 0.13 0.00 0.00 42.46 41.02 1q48 s ILE 8 CO 0.00 -0.83 1.40 1.51 -1.91 0.00 0.00 174.94 175.12 1q48 s ASP 9 N -2.88 5.58 0.65 4.50 1.47 -1.26 -4.87 116.67 119.85 1q48 s ASP 9 Ca 0.06 2.86 -0.16 0.00 1.18 0.00 0.00 52.55 56.48 1q48 s ASP 9 Cb 0.06 -2.65 -0.14 0.00 -0.34 0.00 0.00 42.92 39.86 1q48 s ASP 9 CO -0.10 -1.37 -0.36 1.41 0.68 0.00 0.00 175.17 175.42 1q48 n HIS 10 N -0.59 -3.54 -3.62 2.11 8.25 -1.26 -4.96 115.22 111.60 1q48 n HIS 10 Ca 0.08 0.25 -0.15 0.00 -0.26 0.00 0.00 57.72 57.63 1q48 n HIS 10 Cb 0.43 -1.48 -0.14 0.00 1.12 0.00 0.00 29.99 29.92 1q48 n HIS 10 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1q48 s TYR 11 N -1.86 -0.35 0.00 4.41 6.14 -1.26 -5.15 117.35 119.27 1q48 s TYR 11 Ca 0.47 0.75 0.00 0.00 0.64 0.00 0.00 57.07 58.93 1q48 s TYR 11 Cb -0.35 -0.15 0.00 0.00 0.42 0.00 0.00 41.96 41.88 1q48 s TYR 11 CO 0.68 -0.39 0.00 0.39 0.64 0.00 0.00 175.55 176.86 1q48 n GLU 12 N 5.34 2.08 -2.93 4.97 4.71 -1.26 -5.12 120.64 128.43 1q48 n GLU 12 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.09 1q48 n GLU 12 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1q48 n GLU 12 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1q48 s ASN 13 N -0.72 -1.09 0.00 1.62 2.47 -1.26 -5.05 114.94 110.91 1q48 s ASN 13 Ca 0.00 -0.82 -0.20 0.00 0.42 0.00 0.00 52.86 52.26 1q48 s ASN 13 Cb 0.00 1.40 -0.24 0.00 -1.45 0.00 0.00 41.25 40.96 1q48 s ASN 13 CO 0.00 -0.09 1.36 -2.65 -3.72 0.00 0.00 177.10 172.00 1q48 n PRO 14 N 3.66 0.00 -3.23 0.43 -0.02 -1.26 -4.80 135.00 129.78 1q48 n PRO 14 Ca 0.12 -0.81 -0.46 0.00 -2.02 0.00 0.00 63.50 60.33 1q48 n PRO 14 Cb 0.59 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1q48 n PRO 14 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1q48 s ARG 15 N 6.21 3.48 -0.81 -0.52 3.52 -1.26 -4.47 118.95 125.09 1q48 s ARG 15 Ca 0.44 -2.13 0.00 0.00 -0.13 0.00 0.00 55.73 53.91 1q48 s ARG 15 Cb 0.10 -4.49 0.00 0.00 -1.56 0.00 0.00 34.95 28.99 1q48 s ARG 15 CO 0.22 -1.41 0.00 0.09 -0.81 0.00 0.00 175.30 173.39 1q48 n ASN 16 N 4.85 -4.90 -4.81 -2.12 5.03 -1.26 -4.92 115.26 107.13 1q48 n ASN 16 Ca 0.10 0.19 -0.27 0.00 0.87 0.00 0.00 54.58 55.47 1q48 n ASN 16 Cb 0.46 -3.54 -0.05 0.00 -1.02 0.00 0.00 39.78 35.64 1q48 n ASN 16 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1q48 s VAL 17 N -1.56 1.81 0.00 2.41 0.11 -1.26 -4.68 120.40 117.23 1q48 s VAL 17 Ca 0.00 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 1q48 s VAL 17 Cb 0.00 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1q48 s VAL 17 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1q48 n GLY 18 N -1.46 0.68 0.00 6.54 0.00 -1.26 -4.92 105.19 104.76 1q48 n GLY 18 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q48 n SER 19 N 0.05 0.00 0.00 1.61 3.41 -1.26 -4.83 113.62 112.60 1q48 n SER 19 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1q48 n SER 19 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1q48 n SER 19 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1q48 n LEU 20 N 0.00 0.94 -4.81 1.04 4.32 -1.26 -4.90 117.00 112.33 1q48 n LEU 20 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 1q48 n LEU 20 Cb 0.00 -1.43 -0.06 0.00 -1.62 0.00 0.00 43.42 40.31 1q48 n LEU 20 CO 0.00 -0.48 -0.23 -1.81 -1.22 0.00 0.00 177.39 173.64 1q48 s ASP 21 N -1.87 5.76 0.51 -1.43 1.01 -1.26 -4.98 116.67 114.41 1q48 s ASP 21 Ca 0.00 0.11 0.26 0.00 0.71 0.00 0.00 52.55 53.63 1q48 s ASP 21 Cb 0.00 -1.64 1.40 0.00 1.01 0.00 0.00 42.92 43.69 1q48 s ASP 21 CO 0.00 0.21 2.06 0.11 0.21 0.00 0.00 175.17 177.76 1q48 h LYS 22 N 3.57 0.00 0.00 8.23 1.57 -1.92 -1.97 116.57 126.04 1q48 h LYS 22 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1q48 h LYS 22 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1q48 h LYS 22 CO 0.66 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 181.30 1q48 n LYS 23 N -3.68 0.19 -3.89 3.15 4.76 -1.26 -4.45 118.16 112.98 1q48 n LYS 23 Ca -0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 1q48 n LYS 23 Cb 0.24 -1.10 -0.14 0.00 -1.84 0.00 0.00 35.03 32.20 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1q48 s ASP 24 N -1.85 4.40 0.00 4.39 1.01 -0.74 -4.95 116.67 118.93 1q48 s ASP 24 Ca 0.02 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.86 1q48 s ASP 24 Cb 0.01 -1.75 0.04 0.00 1.01 0.00 0.00 42.92 42.23 1q48 s ASP 24 CO 0.01 -0.04 0.65 -1.20 0.21 0.00 0.00 175.17 174.81 1q48 n SER 25 N 4.80 0.00 -0.83 0.27 7.64 -1.26 -2.53 113.62 121.71 1q48 n SER 25 Ca -0.18 -1.22 0.05 0.00 1.01 0.00 0.00 58.87 58.54 1q48 n SER 25 Cb 0.50 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.52 1.53 -3.79 6.43 5.03 -1.26 -4.93 115.26 117.76 1q48 n ASN 26 Ca 0.01 -3.43 -0.30 0.00 0.87 0.00 0.00 54.58 51.73 1q48 n ASN 26 Cb 0.00 -0.47 -0.14 0.00 -1.02 0.00 0.00 39.78 38.16 1q48 n ASN 26 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1q48 s VAL 27 N -2.42 1.68 0.11 2.41 1.01 -1.05 -1.64 120.40 120.49 1q48 s VAL 27 Ca 0.37 -2.62 -0.17 0.00 0.00 0.00 0.00 61.98 59.56 1q48 s VAL 27 Cb 0.38 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 1q48 s VAL 27 CO -0.10 -0.84 0.57 -0.83 0.00 0.00 0.00 175.10 173.91 1q48 s GLY 28 N 0.34 2.59 -0.19 4.51 0.00 -0.93 -4.76 107.32 108.88 1q48 s GLY 28 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1q48 s GLY 28 CO -0.02 0.35 -0.03 -1.59 0.00 0.00 0.00 173.10 171.80 1q48 s THR 29 N -1.28 1.12 -0.14 0.90 2.01 -1.26 -1.87 115.64 115.13 1q48 s THR 29 Ca 0.33 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1q48 s THR 29 Cb -0.18 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1q48 s THR 29 CO 0.19 -0.01 0.05 -0.83 -0.69 0.00 0.00 174.62 173.33 1q48 s GLY 30 N 1.61 1.92 -0.17 4.40 0.00 -0.20 -4.37 107.32 110.50 1q48 s GLY 30 Ca -0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1q48 s GLY 30 CO -0.07 -0.23 -0.04 -0.29 0.00 0.00 0.00 173.10 172.46 1q48 s MET 31 N -0.28 1.36 0.35 2.90 1.75 -1.26 -0.74 119.30 123.38 1q48 s MET 31 Ca 0.08 -0.54 0.03 0.00 -1.25 0.00 0.00 55.69 54.02 1q48 s MET 31 Cb -0.12 -2.04 -0.04 0.00 2.84 0.00 0.00 34.83 35.47 1q48 s MET 31 CO 0.02 -0.46 0.11 0.14 -0.65 0.00 0.00 175.02 174.17 1q48 s VAL 32 N 1.64 0.74 0.32 10.11 -7.23 -0.64 -5.01 120.40 120.33 1q48 s VAL 32 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1q48 s VAL 32 Cb -0.16 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 1q48 s VAL 32 CO -0.08 0.00 0.38 0.61 -0.31 0.00 0.00 175.10 175.70 1q48 n GLY 33 N -0.75 2.51 2.89 2.32 0.00 -1.26 -0.63 105.19 110.27 1q48 n GLY 33 Ca -0.03 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1q48 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q48 s ALA 34 N -2.91 3.10 -0.02 4.61 0.00 0.30 -4.94 121.76 121.89 1q48 s ALA 34 Ca 0.31 -3.18 0.00 0.00 0.00 0.00 0.00 51.96 49.09 1q48 s ALA 34 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1q48 s ALA 34 CO 0.22 -2.03 0.00 -2.30 0.00 0.00 0.00 175.76 171.64 1q48 n PRO 35 N 3.11 0.00 -0.09 0.00 -0.02 -1.26 -2.50 135.00 134.23 1q48 n PRO 35 Ca 0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 1q48 n PRO 35 Cb 0.33 -1.21 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 n ALA 36 N 0.85 1.64 0.00 3.55 0.00 -1.26 -4.82 120.51 120.46 1q48 n ALA 36 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1q48 n ALA 36 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1q48 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q48 n GLY 38 N 1.51 0.79 3.69 0.00 0.00 -1.12 -5.12 105.19 104.94 1q48 n GLY 38 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.39 5.26 -0.20 1.61 1.11 -1.24 -4.94 116.67 117.89 1q48 s ASP 39 Ca 0.00 0.15 0.01 0.00 0.18 0.00 0.00 52.55 52.88 1q48 s ASP 39 Cb 0.00 -1.48 0.04 0.00 1.07 0.00 0.00 42.92 42.55 1q48 s ASP 39 CO 0.00 0.38 -0.10 0.68 1.18 0.00 0.00 175.17 177.31 1q48 s VAL 40 N -0.90 1.59 -0.04 -1.27 -7.23 -1.24 -0.54 120.40 110.78 1q48 s VAL 40 Ca 0.14 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 1q48 s VAL 40 Cb -0.11 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1q48 s VAL 40 CO 0.03 0.16 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.55 1q48 s MET 41 N 1.42 2.56 -0.08 4.82 0.00 0.20 -3.46 119.30 124.76 1q48 s MET 41 Ca -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 55.69 55.03 1q48 s MET 41 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 34.83 32.22 1q48 s MET 41 CO -0.08 0.63 -0.15 -1.14 0.00 0.00 0.00 175.02 174.28 1q48 s GLN 42 N -0.91 2.04 -0.03 4.11 0.74 0.14 -1.62 119.66 124.12 1q48 s GLN 42 Ca 0.13 -0.52 0.07 0.00 0.05 0.00 0.00 55.36 55.09 1q48 s GLN 42 Cb -0.11 -1.66 -0.02 0.00 1.10 0.00 0.00 33.01 32.33 1q48 s GLN 42 CO 0.02 0.03 -0.25 -1.17 -0.55 0.00 0.00 175.29 173.38 1q48 s LEU 43 N 0.68 2.05 -0.06 3.68 2.96 0.08 -0.40 118.68 127.67 1q48 s LEU 43 Ca -0.14 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1q48 s LEU 43 Cb -0.16 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.23 1q48 s LEU 43 CO 0.04 0.29 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.61 1q48 s GLN 44 N -0.44 1.91 0.05 1.98 0.74 -0.92 -1.04 119.66 121.94 1q48 s GLN 44 Ca 0.05 -0.56 0.07 0.00 0.05 0.00 0.00 55.36 54.98 1q48 s GLN 44 Cb -0.11 -1.58 -0.03 0.00 1.10 0.00 0.00 33.01 32.40 1q48 s GLN 44 CO 0.01 0.14 -0.19 0.96 -0.55 0.00 0.00 175.29 175.65 1q48 s ILE 45 N 0.36 1.56 0.02 -2.34 -4.36 -0.78 -0.69 121.20 114.97 1q48 s ILE 45 Ca -0.11 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.14 1q48 s ILE 45 Cb -0.14 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 1q48 s ILE 45 CO 0.04 0.14 -0.15 -0.75 0.24 0.00 0.00 174.94 174.45 1q48 s LYS 46 N -1.24 1.11 0.06 0.37 2.20 -0.96 -2.19 119.74 119.08 1q48 s LYS 46 Ca 0.06 -0.69 0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1q48 s LYS 46 Cb -0.09 -1.12 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1q48 s LYS 46 CO 0.02 0.29 -0.23 0.08 -0.36 0.00 0.00 175.35 175.15 1q48 s VAL 47 N -0.63 1.89 0.00 4.02 1.01 -0.65 -3.22 120.40 122.81 1q48 s VAL 47 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1q48 s VAL 47 Cb -0.07 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1q48 s VAL 47 CO 0.01 0.24 0.00 -0.90 0.00 0.00 0.00 175.10 174.44 1q48 n ASP 48 N 1.69 0.00 -0.42 3.32 5.68 -1.04 -4.82 116.55 120.96 1q48 n ASP 48 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1q48 n ASP 48 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1q48 n ASP 49 N 0.00 0.00 0.00 -1.12 5.75 -1.26 -4.93 116.55 114.99 1q48 n ASP 49 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1q48 n ASP 49 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1q48 n ASP 49 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1q48 n ASN 50 N 0.00 2.91 0.00 -1.12 6.94 -1.26 -5.01 115.26 117.72 1q48 n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1q48 n ASN 50 Cb 0.47 0.55 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 1q48 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q48 n GLY 51 N 1.52 0.66 3.64 4.83 0.00 -1.26 -5.12 105.19 109.46 1q48 n GLY 51 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.44 4.80 -0.74 -0.61 -1.09 -1.26 -3.37 121.20 117.48 1q48 s ILE 52 Ca 0.00 -0.03 -0.26 0.00 -2.23 0.00 0.00 60.65 58.13 1q48 s ILE 52 Cb 0.00 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1q48 s ILE 52 CO 0.00 0.46 1.63 -0.63 -1.23 0.00 0.00 174.94 175.17 1q48 s ILE 53 N 0.35 3.55 0.15 2.92 1.01 0.64 -2.51 121.20 127.31 1q48 s ILE 53 Ca 0.03 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1q48 s ILE 53 Cb -0.12 -4.41 -0.09 0.00 0.01 0.00 0.00 42.46 37.85 1q48 s ILE 53 CO 0.00 -1.36 1.43 -0.08 0.00 0.00 0.00 174.94 174.93 1q48 h GLU 54 N 12.23 0.73 -4.61 2.79 4.22 -1.82 -0.69 114.58 127.43 1q48 h GLU 54 Ca -0.17 -0.49 -0.25 0.00 0.08 0.00 0.00 59.36 58.53 1q48 h GLU 54 Cb 1.09 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 1q48 h GLU 54 CO 1.26 1.11 -0.62 0.34 -2.18 0.00 0.00 179.01 178.92 1q48 s ASP 55 N -6.96 0.31 -0.30 1.04 2.15 -1.24 -4.43 116.67 107.23 1q48 s ASP 55 Ca -0.09 -1.37 -0.13 0.00 0.43 0.00 0.00 52.55 51.40 1q48 s ASP 55 Cb 0.10 0.34 0.16 0.00 -0.30 0.00 0.00 42.92 43.22 1q48 s ASP 55 CO 0.87 -0.81 0.87 0.00 -0.17 0.00 0.00 175.17 175.94 1q48 s ALA 56 N -4.09 -2.55 0.58 3.66 0.00 -1.26 -2.25 121.76 115.85 1q48 s ALA 56 Ca 0.37 2.08 0.04 0.00 0.00 0.00 0.00 51.96 54.45 1q48 s ALA 56 Cb 0.07 -2.02 0.10 0.00 0.00 0.00 0.00 23.12 21.28 1q48 s ALA 56 CO 0.11 -1.01 0.74 1.63 0.00 0.00 0.00 175.76 177.24 1q48 n LYS 57 N 5.17 0.33 -3.83 0.00 4.76 0.14 -4.96 118.16 119.77 1q48 n LYS 57 Ca -0.09 -2.38 -0.03 0.00 -2.87 0.00 0.00 58.31 52.93 1q48 n LYS 57 Cb 0.52 -0.38 0.02 0.00 -1.84 0.00 0.00 35.03 33.34 1q48 n LYS 57 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1q48 n PHE 58 N -2.33 -1.40 -3.23 2.13 -1.74 -1.26 -2.15 117.46 107.47 1q48 n PHE 58 Ca 0.13 -1.29 0.04 0.00 -0.56 0.00 0.00 57.45 55.78 1q48 n PHE 58 Cb 0.49 0.63 -0.03 0.00 1.52 0.00 0.00 39.48 42.09 1q48 n PHE 58 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1q48 s LYS 59 N -2.05 0.24 -0.09 3.97 2.20 0.46 -4.88 119.74 119.60 1q48 s LYS 59 Ca 0.22 0.50 0.04 0.00 -0.36 0.00 0.00 55.97 56.38 1q48 s LYS 59 Cb -0.03 0.29 -0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1q48 s LYS 59 CO 0.06 -0.19 -0.24 0.95 -0.36 0.00 0.00 175.35 175.57 1q48 s THR 60 N 2.72 2.12 -0.16 3.43 -4.23 -1.26 -0.69 115.64 117.57 1q48 s THR 60 Ca 0.00 -1.01 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1q48 s THR 60 Cb -0.09 -1.80 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1q48 s THR 60 CO -0.14 0.56 0.11 -0.47 -0.54 0.00 0.00 174.62 174.14 1q48 s TYR 61 N 0.16 0.10 0.00 3.99 5.04 -1.22 -4.87 117.35 120.54 1q48 s TYR 61 Ca -0.13 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1q48 s TYR 61 Cb -0.16 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.54 1q48 s TYR 61 CO 0.07 -0.49 0.00 0.41 -1.34 0.00 0.00 175.55 174.20 1q48 n GLY 62 N 5.29 0.47 3.30 8.97 0.00 -1.26 -3.64 105.19 118.32 1q48 n GLY 62 Ca -0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 2.06 0.00 0.96 0.00 0.00 -1.26 -4.24 105.19 102.72 1q48 n GLY 64 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.70 0.15 1.61 7.64 -1.26 -4.77 113.62 118.68 1q48 n SER 65 Ca 0.00 -3.36 0.05 0.00 1.01 0.00 0.00 58.87 56.57 1q48 n SER 65 Cb 0.00 -0.46 0.49 0.00 -1.01 0.00 0.00 64.21 63.23 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q48 h ALA 66 N 1.10 1.72 -1.59 -0.43 0.00 -1.95 -2.53 119.26 115.58 1q48 h ALA 66 Ca -0.04 -0.11 0.49 0.00 0.00 0.00 0.00 54.91 55.25 1q48 h ALA 66 Cb 1.27 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1q48 h ALA 66 CO 0.07 0.22 1.10 -0.89 0.00 0.00 0.00 179.25 179.75 1q48 n ILE 67 N -4.40 -0.11 -0.04 0.00 -0.00 -1.26 0.26 119.36 113.83 1q48 n ILE 67 Ca -0.01 1.51 -0.02 0.00 -0.00 0.00 0.00 62.75 64.24 1q48 n ILE 67 Cb 0.17 -2.50 -0.01 0.00 -0.00 0.00 0.00 39.64 37.31 1q48 n ILE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1q48 h ALA 68 N 1.17 0.00 -0.55 -1.39 0.00 -1.86 -3.26 119.26 113.37 1q48 h ALA 68 Ca 0.85 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.68 1q48 h ALA 68 Cb 3.12 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 21.06 1q48 h ALA 68 CO -0.20 0.17 0.41 0.77 0.00 0.00 0.00 179.25 180.40 1q48 h SER 69 N -0.57 0.00 -0.29 0.00 0.02 -1.25 0.34 113.55 111.81 1q48 h SER 69 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1q48 h SER 69 Cb 0.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1q48 h SER 69 CO 0.00 0.00 0.08 0.77 -1.14 0.00 0.00 176.83 176.54 1q48 h SER 70 N 0.00 0.50 0.46 3.07 4.64 0.35 -1.86 113.55 120.71 1q48 h SER 70 Ca 0.26 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 1q48 h SER 70 Cb 1.08 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1q48 h SER 70 CO -0.00 0.52 -0.78 -1.28 -0.87 0.00 0.00 176.83 174.42 1q48 h SER 71 N 0.54 0.31 0.78 4.97 0.87 -0.37 -2.66 113.55 117.98 1q48 h SER 71 Ca 0.12 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1q48 h SER 71 Cb 0.23 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1q48 h SER 71 CO -0.00 0.97 -0.37 0.25 -0.53 0.00 0.00 176.83 177.14 1q48 h LEU 72 N 0.16 -0.88 -0.33 2.23 5.85 -0.96 -1.52 115.31 119.85 1q48 h LEU 72 Ca -0.03 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1q48 h LEU 72 Cb 1.36 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.54 1q48 h LEU 72 CO 0.12 -0.53 -0.15 -0.29 -0.34 0.00 0.00 178.44 177.25 1q48 h ILE 73 N -1.26 0.53 -0.68 4.05 2.10 -1.48 0.33 117.51 121.10 1q48 h ILE 73 Ca -0.11 0.00 0.18 0.00 1.08 0.00 0.00 64.86 66.01 1q48 h ILE 73 Cb 0.80 0.53 -0.03 0.00 -1.09 0.00 0.00 36.82 37.02 1q48 h ILE 73 CO 0.18 0.00 0.48 0.71 -1.08 0.00 0.00 178.15 178.43 1q48 h THR 74 N -0.10 0.70 0.00 2.19 1.35 -1.46 0.78 112.91 116.38 1q48 h THR 74 Ca 0.17 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1q48 h THR 74 Cb 0.35 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1q48 h THR 74 CO -0.39 0.02 -0.31 1.21 -0.25 0.00 0.00 175.52 175.80 1q48 n GLU 75 N -4.38 0.29 0.06 4.72 2.13 0.93 -3.44 120.64 120.94 1q48 n GLU 75 Ca 0.13 0.16 0.04 0.00 0.66 0.00 0.00 57.16 58.15 1q48 n GLU 75 Cb 0.68 -1.76 -0.05 0.00 0.27 0.00 0.00 31.44 30.58 1q48 n GLU 75 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1q48 h TRP 76 N 0.00 0.00 -0.59 4.31 2.91 0.28 -3.31 115.95 119.55 1q48 h TRP 76 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1q48 h TRP 76 Cb 0.75 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 1q48 h TRP 76 CO 0.00 0.40 0.00 1.33 -1.03 0.00 0.00 178.44 179.14 1q48 n VAL 77 N -2.83 1.39 -3.50 2.65 0.24 -0.17 -4.30 118.33 111.81 1q48 n VAL 77 Ca -0.06 -0.98 -0.41 0.00 -2.04 0.00 0.00 64.34 60.85 1q48 n VAL 77 Cb 0.75 0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.25 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 -1.63 3.60 0.00 7.34 2.20 -1.22 -4.33 119.74 125.71 1q48 s LYS 78 Ca 0.44 -3.13 0.00 0.00 -0.36 0.00 0.00 55.97 52.93 1q48 s LYS 78 Cb 0.27 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1q48 s LYS 78 CO 0.24 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 1q48 n GLY 79 N 2.71 1.22 0.00 5.54 0.00 -0.26 -5.01 105.19 109.39 1q48 n GLY 79 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 2.88 -4.38 1.61 4.76 -1.26 -4.81 118.16 116.97 1q48 n LYS 80 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1q48 n LYS 80 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 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 2.36 0.56 4.39 0.15 -1.26 -0.26 113.70 118.63 1q48 s SER 81 Ca 0.00 -1.18 0.31 0.00 0.70 0.00 0.00 55.95 55.78 1q48 s SER 81 Cb 0.00 -0.09 1.47 0.00 -1.71 0.00 0.00 66.02 65.69 1q48 s SER 81 CO 0.00 -0.39 1.86 -0.07 1.20 0.00 0.00 173.24 175.83 1q48 h LEU 82 N 2.40 0.00 0.28 3.45 3.38 -1.94 -0.24 115.31 122.64 1q48 h LEU 82 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1q48 h LEU 82 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1q48 h LEU 82 CO 0.66 0.00 -0.13 -0.08 0.09 0.00 0.00 178.44 178.97 1q48 h GLU 83 N 0.00 -0.36 -0.72 1.13 4.81 -1.93 0.72 114.58 118.23 1q48 h GLU 83 Ca 0.39 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.70 1q48 h GLU 83 Cb 1.69 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 31.11 1q48 h GLU 83 CO -0.00 -0.18 0.47 0.93 -0.73 0.00 0.00 179.01 179.50 1q48 h GLU 84 N -0.47 0.75 -0.49 1.92 4.39 -1.44 -1.28 114.58 117.96 1q48 h GLU 84 Ca -0.04 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1q48 h GLU 84 Cb 0.35 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1q48 h GLU 84 CO 0.06 0.49 -0.18 0.00 -1.16 0.00 0.00 179.01 178.22 1q48 h ALA 85 N 1.61 0.68 -0.26 3.43 0.00 -1.06 -1.68 119.26 121.98 1q48 h ALA 85 Ca 0.31 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1q48 h ALA 85 Cb 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1q48 h ALA 85 CO -0.10 0.65 0.12 0.41 0.00 0.00 0.00 179.25 180.33 1q48 n GLY 86 N -0.14 3.49 0.00 0.00 0.00 0.21 -3.70 105.19 105.04 1q48 n GLY 86 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 1.25 0.00 0.21 4.61 0.00 -1.12 -4.89 120.51 120.57 1q48 n ALA 87 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.80 1q48 n ALA 87 Cb 0.63 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.20 1q48 n ALA 87 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1q48 h ILE 88 N 0.00 0.00 -2.91 0.00 3.07 -1.39 -3.45 117.51 112.83 1q48 h ILE 88 Ca 0.00 0.00 0.29 0.00 1.55 0.00 0.00 64.86 66.70 1q48 h ILE 88 Cb 0.00 0.02 -0.12 0.00 -0.27 0.00 0.00 36.82 36.45 1q48 h ILE 88 CO 0.00 0.00 -0.75 0.29 -1.05 0.00 0.00 178.15 176.64 1q48 n LYS 89 N -2.68 -2.51 -0.13 0.16 5.02 -1.26 -4.37 118.16 112.39 1q48 n LYS 89 Ca 0.05 1.89 -0.23 0.00 -2.02 0.00 0.00 58.31 58.01 1q48 n LYS 89 Cb 1.11 -3.10 -0.10 0.00 -0.02 0.00 0.00 35.03 32.92 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 -4.26 1.96 0.28 4.39 6.94 -1.26 -4.29 115.26 119.01 1q48 n ASN 90 Ca -0.04 0.11 0.18 0.00 -0.02 0.00 0.00 54.58 54.81 1q48 n ASN 90 Cb 0.64 -0.59 0.92 0.00 -2.36 0.00 0.00 39.78 38.39 1q48 n ASN 90 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1q48 h SER 91 N -0.50 0.00 0.37 0.53 0.87 -1.91 -2.45 113.55 110.47 1q48 h SER 91 Ca -0.61 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 1q48 h SER 91 Cb 1.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1q48 h SER 91 CO -0.25 0.00 -0.18 -0.61 -0.53 0.00 0.00 176.83 175.26 1q48 h GLN 92 N 0.00 -0.47 -0.87 2.24 4.15 -1.76 -2.51 115.11 115.89 1q48 h GLN 92 Ca 0.04 0.03 0.25 0.00 0.77 0.00 0.00 58.65 59.75 1q48 h GLN 92 Cb 0.46 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1q48 h GLN 92 CO -0.00 -0.32 0.62 0.82 -1.93 0.00 0.00 178.83 178.03 1q48 h ILE 93 N -0.72 0.57 -0.37 2.39 2.04 -1.66 0.14 117.51 119.90 1q48 h ILE 93 Ca -0.05 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1q48 h ILE 93 Cb 0.38 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1q48 h ILE 93 CO 0.08 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.36 1q48 h ALA 94 N 1.57 0.49 0.00 1.87 0.00 -1.32 -1.94 119.26 119.92 1q48 h ALA 94 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1q48 h ALA 94 Cb 1.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1q48 h ALA 94 CO -0.01 0.12 0.00 0.93 0.00 0.00 0.00 179.25 180.29 1q48 h GLU 95 N 0.45 0.00 0.07 0.00 4.39 -0.32 -0.15 114.58 119.02 1q48 h GLU 95 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1q48 h GLU 95 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1q48 h GLU 95 CO -0.01 0.00 -0.03 0.93 -1.16 0.00 0.00 179.01 178.74 1q48 h GLU 96 N 0.00 -0.09 0.00 2.33 4.39 -0.55 -3.17 114.58 117.49 1q48 h GLU 96 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1q48 h GLU 96 Cb 0.58 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1q48 h GLU 96 CO 0.00 0.41 -0.23 1.28 -1.16 0.00 0.00 179.01 179.30 1q48 n LEU 97 N -4.88 0.42 -1.28 1.33 4.32 -0.96 -4.89 117.00 111.07 1q48 n LEU 97 Ca -0.08 0.35 -0.13 0.00 -0.02 0.00 0.00 56.01 56.13 1q48 n LEU 97 Cb 0.27 -0.34 -0.05 0.00 -1.62 0.00 0.00 43.42 41.68 1q48 n LEU 97 CO 0.31 -0.02 -0.12 -0.62 -1.22 0.00 0.00 177.39 175.72 1q48 n GLU 98 N -1.77 -1.36 -1.71 3.23 1.02 -0.07 -4.88 120.64 115.09 1q48 n GLU 98 Ca 0.06 0.78 -0.37 0.00 -0.02 0.00 0.00 57.16 57.60 1q48 n GLU 98 Cb 0.38 -5.00 0.06 0.00 -0.02 0.00 0.00 31.44 26.86 1q48 n GLU 98 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1q48 n LEU 99 N -1.75 5.61 -3.78 -4.62 -0.00 -1.25 -4.85 117.00 106.36 1q48 n LEU 99 Ca -0.13 0.86 -0.38 0.00 -0.00 0.00 0.00 56.01 56.36 1q48 n LEU 99 Cb 0.44 -1.54 -0.01 0.00 -0.00 0.00 0.00 43.42 42.32 1q48 n LEU 99 CO 0.19 -1.04 -0.31 -2.65 -0.00 0.00 0.00 177.39 173.59 1q48 n PRO 100 N -1.60 0.00 0.00 1.47 -0.02 -1.26 -4.77 135.00 128.82 1q48 n PRO 100 Ca 0.15 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1q48 n PRO 100 Cb 0.47 -0.88 0.07 0.00 -0.02 0.00 0.00 33.50 33.15 1q48 n PRO 100 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q48 n PRO 101 N 1.11 0.63 -0.07 0.52 -0.04 -1.26 -2.91 135.00 132.99 1q48 n PRO 101 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 1q48 n PRO 101 Cb 0.32 -1.06 -0.15 0.00 -0.04 0.00 0.00 33.50 32.58 1q48 n PRO 101 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1q48 n VAL 102 N -0.56 1.50 -0.14 0.52 3.14 -1.26 -4.08 118.33 117.45 1q48 n VAL 102 Ca 0.02 -0.81 0.06 0.00 -2.96 0.00 0.00 64.34 60.65 1q48 n VAL 102 Cb 0.01 -0.79 0.27 0.00 -1.06 0.00 0.00 33.84 32.27 1q48 n VAL 102 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1q48 n LYS 103 N -2.92 3.30 0.33 1.45 5.02 -1.14 -4.32 118.16 119.87 1q48 n LYS 103 Ca -0.27 -2.13 0.18 0.00 -2.02 0.00 0.00 58.31 54.06 1q48 n LYS 103 Cb 1.10 -1.85 0.97 0.00 -0.02 0.00 0.00 35.03 35.23 1q48 n LYS 103 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1q48 h VAL 104 N 2.91 0.00 -0.70 -0.18 3.04 -1.71 -0.82 116.25 118.79 1q48 h VAL 104 Ca 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.83 1q48 h VAL 104 Cb 1.29 0.79 -0.04 0.00 -2.01 0.00 0.00 31.29 31.31 1q48 h VAL 104 CO 0.24 0.00 0.48 0.45 -1.01 0.00 0.00 177.57 177.73 1q48 h HIS 105 N 0.00 0.40 0.65 3.17 3.86 -1.91 -2.17 115.15 119.16 1q48 h HIS 105 Ca 0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1q48 h HIS 105 Cb 0.39 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1q48 h HIS 105 CO 0.00 0.16 -0.41 0.00 0.86 0.00 0.00 177.93 178.53 1q48 h SER 107 N -1.01 -1.21 -0.09 0.00 0.87 -1.59 -1.04 113.55 109.49 1q48 h SER 107 Ca -0.08 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1q48 h SER 107 Cb 0.82 0.53 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1q48 h SER 107 CO 0.08 -0.36 -0.22 0.40 -0.53 0.00 0.00 176.83 176.19 1q48 h ILE 108 N -0.35 0.00 -1.19 2.23 2.04 -1.31 0.63 117.51 119.56 1q48 h ILE 108 Ca 0.13 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.33 1q48 h ILE 108 Cb 0.57 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1q48 h ILE 108 CO -0.49 0.00 1.07 -0.07 0.00 0.00 0.00 178.15 178.67 1q48 h LEU 109 N -0.21 0.00 0.00 1.44 4.07 -0.71 0.77 115.31 120.66 1q48 h LEU 109 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1q48 h LEU 109 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1q48 h LEU 109 CO -0.20 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.16 1q48 n ALA 110 N -2.52 -0.23 -0.20 1.53 0.00 0.21 -0.99 120.51 118.31 1q48 n ALA 110 Ca 0.26 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.98 1q48 n ALA 110 Cb 1.44 0.00 0.69 0.00 0.00 0.00 0.00 19.45 21.59 1q48 n ALA 110 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q48 h GLU 111 N 0.00 0.06 0.00 0.00 4.81 -0.61 1.17 114.58 120.01 1q48 h GLU 111 Ca 0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1q48 h GLU 111 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1q48 h GLU 111 CO 0.00 0.04 -0.33 0.22 -0.73 0.00 0.00 179.01 178.21 1q48 h ASP 112 N 0.06 0.00 0.34 1.04 3.58 -0.88 -2.42 116.42 118.14 1q48 h ASP 112 Ca 0.44 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.69 1q48 h ASP 112 Cb 1.67 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.72 1q48 h ASP 112 CO -0.03 0.33 -0.85 0.00 -2.88 0.00 0.00 179.24 175.80 1q48 h ALA 113 N 1.67 0.47 -0.04 -0.78 0.00 0.32 -2.64 119.26 118.26 1q48 h ALA 113 Ca -0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 1q48 h ALA 113 Cb 0.90 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1q48 h ALA 113 CO 0.04 0.81 -0.73 0.97 0.00 0.00 0.00 179.25 180.34 1q48 h ILE 114 N 0.23 1.35 -0.98 0.00 6.09 -1.31 -2.63 117.51 120.27 1q48 h ILE 114 Ca -0.06 -2.06 0.01 0.00 -1.37 0.00 0.00 64.86 61.39 1q48 h ILE 114 Cb 1.47 2.37 -0.05 0.00 0.47 0.00 0.00 36.82 41.08 1q48 h ILE 114 CO 0.14 0.62 0.65 0.50 -3.07 0.00 0.00 178.15 177.00 1q48 h LYS 115 N 0.17 1.29 0.36 2.19 3.64 -1.49 -1.81 116.57 120.92 1q48 h LYS 115 Ca -0.08 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1q48 h LYS 115 Cb 1.40 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1q48 h LYS 115 CO 0.15 0.85 -0.18 0.00 -2.27 0.00 0.00 179.45 178.00 1q48 h ALA 116 N 1.36 -0.49 0.01 5.00 0.00 -1.46 -2.64 119.26 121.04 1q48 h ALA 116 Ca 0.36 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1q48 h ALA 116 Cb -0.15 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1q48 h ALA 116 CO -0.08 -0.71 -0.35 0.00 0.00 0.00 0.00 179.25 178.11 1q48 h ALA 117 N -0.03 -0.80 -0.89 0.00 0.00 -1.17 0.41 119.26 116.78 1q48 h ALA 117 Ca -0.05 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.09 1q48 h ALA 117 Cb 0.45 0.79 -0.16 0.00 0.00 0.00 0.00 17.79 18.87 1q48 h ALA 117 CO 0.08 -0.91 0.19 -0.89 0.00 0.00 0.00 179.25 177.73 1q48 n ILE 118 N -4.43 -0.37 0.21 0.00 5.41 -0.71 0.69 119.36 120.15 1q48 n ILE 118 Ca -0.05 1.90 -0.16 0.00 1.00 0.00 0.00 62.75 65.44 1q48 n ILE 118 Cb 0.26 -2.88 -0.08 0.00 -0.71 0.00 0.00 39.64 36.23 1q48 n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q48 h ALA 119 N 1.78 -0.82 -0.50 -1.39 0.00 -0.55 0.24 119.26 118.02 1q48 h ALA 119 Ca 0.62 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1q48 h ALA 119 Cb 1.44 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1q48 h ALA 119 CO -0.78 -1.00 0.30 -0.44 0.00 0.00 0.00 179.25 177.33 1q48 h ASP 120 N -0.76 0.48 -0.01 0.00 5.19 0.72 0.91 116.42 122.95 1q48 h ASP 120 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1q48 h ASP 120 Cb 0.70 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 1q48 h ASP 120 CO -0.11 0.34 0.09 0.22 -3.12 0.00 0.00 179.24 176.66 1q48 h TYR 121 N 0.60 0.00 0.00 4.55 3.20 -0.32 0.44 116.97 125.43 1q48 h TYR 121 Ca 0.20 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.77 1q48 h TYR 121 Cb 0.02 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1q48 h TYR 121 CO -0.07 0.00 -1.78 1.17 -1.64 0.00 0.00 178.16 175.84 1q48 n LYS 122 N -3.11 0.64 0.00 1.82 3.00 0.16 -3.86 118.16 116.80 1q48 n LYS 122 Ca -0.03 0.26 0.14 0.00 -0.00 0.00 0.00 58.31 58.68 1q48 n LYS 122 Cb 0.15 -1.76 0.52 0.00 0.00 0.00 0.00 35.03 33.94 1q48 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q48 n ALA 123 N -2.57 2.86 0.60 3.14 0.00 -0.11 -3.58 120.51 120.84 1q48 n ALA 123 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1q48 n ALA 123 Cb 1.06 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 19.28 1q48 n ALA 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1q48 n LYS 124 N -1.21 1.70 -2.71 0.00 3.00 -0.05 -3.95 118.16 114.94 1q48 n LYS 124 Ca 0.10 -0.64 -0.08 0.00 -0.00 0.00 0.00 58.31 57.69 1q48 n LYS 124 Cb 0.31 -1.58 0.10 0.00 0.00 0.00 0.00 35.03 33.86 1q48 n LYS 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1q48 n GLN 125 N 0.13 1.05 0.00 1.64 10.64 -1.23 -4.84 117.38 124.77 1q48 n GLN 125 Ca 0.07 -1.82 0.00 0.00 -1.83 0.00 0.00 57.00 53.42 1q48 n GLN 125 Cb 0.50 -0.55 0.00 0.00 -0.86 0.00 0.00 30.24 29.33 1q48 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1q48 n GLY 126 N -0.07 -0.05 0.37 2.61 0.00 -1.25 -4.83 105.19 101.96 1q48 n GLY 126 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1q48 n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q48 h LEU 127 N 0.00 0.71 -2.87 0.99 4.07 -1.96 -1.08 115.31 115.17 1q48 h LEU 127 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1q48 h LEU 127 Cb 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1q48 h LEU 127 CO 0.00 0.40 0.00 -0.62 -1.08 0.00 0.00 178.44 177.14 1q48 n GLU 128 N -4.53 0.65 -3.72 1.13 1.02 -1.26 -4.63 120.64 109.29 1q48 n GLU 128 Ca 0.15 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 1q48 n GLU 128 Cb 0.37 -1.17 -0.12 0.00 -0.02 0.00 0.00 31.44 30.49 1q48 n GLU 128 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1q48 s HIS 129 N 0.57 -0.40 0.00 -0.32 3.76 -0.41 -5.01 115.29 113.48 1q48 s HIS 129 Ca 0.00 0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 55.82 1q48 s HIS 129 Cb 0.00 0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.75 1q48 s HIS 129 CO 0.00 -0.26 1.14 1.58 -0.85 0.00 0.00 174.74 176.35 1q48 n HIS 130 N 4.19 0.00 -2.22 1.40 -0.00 -1.26 -4.73 115.22 112.59 1q48 n HIS 130 Ca -0.24 -0.44 -0.32 0.00 0.46 0.00 0.00 57.72 57.18 1q48 n HIS 130 Cb 0.54 -0.57 -0.04 0.00 -0.12 0.00 0.00 29.99 29.79 1q48 n HIS 130 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1q48 s HIS 131 N 1.77 2.10 0.00 1.57 3.76 -1.26 -4.33 115.29 118.90 1q48 s HIS 131 Ca 0.11 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1q48 s HIS 131 Cb 0.05 -4.25 0.00 0.00 1.11 0.00 0.00 32.58 29.49 1q48 s HIS 131 CO 0.00 -1.66 0.30 0.72 -0.85 0.00 0.00 174.74 173.25 1q48 n HIS 132 N 12.39 0.00 -2.52 1.40 8.25 -1.26 -4.89 115.22 128.59 1q48 n HIS 132 Ca 0.41 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.60 1q48 n HIS 132 Cb 0.48 0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 1q48 n HIS 132 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q48 n HIS 133 N 0.00 3.42 0.00 4.41 1.44 -1.26 -5.34 115.22 117.89 1q48 n HIS 133 Ca 0.00 -3.18 0.00 0.00 -2.01 0.00 0.00 57.72 52.53 1q48 n HIS 133 Cb 0.44 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.44 1q48 n HIS 133 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25