#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 -0.29 -1.93 -5.12 0.00 -1.26 -4.92 120.51 106.99 1q48 n ALA 2 Ca 0.00 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1q48 n ALA 2 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1q48 n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1q48 s TYR 3 N 1.74 3.54 0.16 0.00 -0.85 -1.26 -4.76 117.35 115.92 1q48 s TYR 3 Ca 0.89 1.28 0.00 0.00 -0.52 0.00 0.00 57.07 58.72 1q48 s TYR 3 Cb -0.93 -2.68 0.00 0.00 0.38 0.00 0.00 41.96 38.73 1q48 s TYR 3 CO 0.52 -0.46 0.00 0.43 -1.52 0.00 0.00 175.55 174.51 1q48 n SER 4 N -2.09 -7.17 -4.47 -0.18 7.64 -1.26 -4.92 113.62 101.16 1q48 n SER 4 Ca 0.05 1.35 -0.29 0.00 1.01 0.00 0.00 58.87 61.00 1q48 n SER 4 Cb 0.54 -4.40 0.18 0.00 -1.01 0.00 0.00 64.21 59.52 1q48 n SER 4 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1q48 s GLU 5 N -0.42 0.22 -0.42 1.43 8.01 -1.26 -5.03 118.70 121.24 1q48 s GLU 5 Ca 0.00 0.24 0.09 0.00 0.01 0.00 0.00 54.97 55.30 1q48 s GLU 5 Cb 0.00 -1.74 0.32 0.00 -4.31 0.00 0.00 34.13 28.41 1q48 s GLU 5 CO 0.00 -2.81 0.90 1.63 0.01 0.00 0.00 175.26 174.99 1q48 n LYS 6 N -4.18 0.97 -2.72 1.61 5.02 -1.26 -5.03 118.16 112.56 1q48 n LYS 6 Ca 0.08 -2.65 -0.03 0.00 -2.02 0.00 0.00 58.31 53.69 1q48 n LYS 6 Cb 0.59 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1q48 n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q48 n VAL 7 N 0.46-11.39 -3.95 -0.18 0.31 -1.26 -5.06 118.33 97.26 1q48 n VAL 7 Ca 0.16 1.44 -0.08 0.00 -0.01 0.00 0.00 64.34 65.85 1q48 n VAL 7 Cb 0.67 -6.98 -0.08 0.00 -0.91 0.00 0.00 33.84 26.53 1q48 n VAL 7 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1q48 s ILE 8 N -1.95 0.16 -0.22 2.52 -4.36 -1.26 -4.99 121.20 111.10 1q48 s ILE 8 Ca 0.09 -1.44 -0.19 0.00 -0.26 0.00 0.00 60.65 58.85 1q48 s ILE 8 Cb -0.03 -1.47 0.03 0.00 1.25 0.00 0.00 42.46 42.25 1q48 s ILE 8 CO 0.75 -0.73 0.32 -0.67 0.24 0.00 0.00 174.94 174.85 1q48 n ASP 9 N -0.02 -6.10 -4.54 4.36 2.03 -1.26 -4.61 116.55 106.42 1q48 n ASP 9 Ca -0.14 0.16 -0.55 0.00 0.52 0.00 0.00 54.79 54.78 1q48 n ASP 9 Cb 0.62 -1.72 -0.07 0.00 -0.72 0.00 0.00 41.12 39.23 1q48 n ASP 9 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1q48 n HIS 10 N 0.56 0.98 -2.87 -0.67 8.25 -1.26 -4.84 115.22 115.37 1q48 n HIS 10 Ca -0.04 0.86 -0.43 0.00 -0.26 0.00 0.00 57.72 57.85 1q48 n HIS 10 Cb 0.58 -2.19 -0.04 0.00 1.12 0.00 0.00 29.99 29.45 1q48 n HIS 10 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1q48 s TYR 11 N 0.11 2.93 0.23 4.41 1.51 -1.26 -4.74 117.35 120.53 1q48 s TYR 11 Ca 0.85 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 1q48 s TYR 11 Cb -1.09 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 36.87 1q48 s TYR 11 CO 0.53 -1.10 0.00 0.39 -1.11 0.00 0.00 175.55 174.26 1q48 n GLU 12 N 7.06 -4.64 -2.92 -0.62 1.02 -1.26 -4.99 120.64 114.29 1q48 n GLU 12 Ca 0.04 3.36 -0.13 0.00 -0.02 0.00 0.00 57.16 60.41 1q48 n GLU 12 Cb 0.48 -3.58 0.03 0.00 -0.02 0.00 0.00 31.44 28.35 1q48 n GLU 12 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1q48 n ASN 13 N 1.19 -0.26 0.00 1.62 2.85 -1.26 -4.94 115.26 114.46 1q48 n ASN 13 Ca 0.00 -3.10 0.04 0.00 -0.11 0.00 0.00 54.58 51.41 1q48 n ASN 13 Cb 0.00 0.29 0.21 0.00 1.24 0.00 0.00 39.78 41.53 1q48 n ASN 13 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1q48 n PRO 14 N 0.15 0.39 0.00 1.20 -0.04 -1.26 -4.89 135.00 130.56 1q48 n PRO 14 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1q48 n PRO 14 Cb 0.72 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1q48 n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q48 n ARG 15 N -0.79 0.00 0.00 0.54 5.12 -1.26 -3.31 116.66 116.97 1q48 n ARG 15 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1q48 n ARG 15 Cb 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 1q48 n ARG 15 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1q48 n ASN 16 N 4.29 0.00 -4.68 0.55 2.04 -1.26 -5.12 115.26 111.08 1q48 n ASN 16 Ca 0.00 -0.20 -0.45 0.00 -0.44 0.00 0.00 54.58 53.49 1q48 n ASN 16 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1q48 n ASN 16 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1q48 n VAL 17 N 0.00 0.15 0.00 3.53 0.31 -1.21 -4.51 118.33 116.60 1q48 n VAL 17 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1q48 n VAL 17 Cb 0.05 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1q48 n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q48 n GLY 18 N 3.77 0.90 3.20 2.92 0.00 -1.26 -5.10 105.19 109.61 1q48 n GLY 18 Ca 0.18 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.68 1q48 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q48 s SER 19 N 0.00 -0.38 0.00 1.61 1.04 -1.26 -4.91 113.70 109.80 1q48 s SER 19 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1q48 s SER 19 Cb 0.00 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1q48 s SER 19 CO 0.00 -0.07 0.00 -0.11 0.98 0.00 0.00 173.24 174.04 1q48 n LEU 20 N 5.26 0.25 -0.34 2.42 7.94 -1.26 -4.79 117.00 126.47 1q48 n LEU 20 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1q48 n LEU 20 Cb 0.54 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1q48 n LEU 20 CO -0.09 -0.12 0.16 0.47 -1.11 0.00 0.00 177.39 176.69 1q48 n ASP 21 N 0.00 0.33 0.00 1.96 8.00 -1.26 -4.71 116.55 120.87 1q48 n ASP 21 Ca 0.00 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1q48 n ASP 21 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.02 0.00 -3.14 -1.24 5.02 -1.26 -4.71 118.16 112.86 1q48 n LYS 22 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1q48 n LYS 22 Cb 0.08 -3.60 -0.04 0.00 -0.02 0.00 0.00 35.03 31.45 1q48 n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1q48 n LYS 23 N -2.00 1.76 -4.36 1.97 4.81 -1.26 -5.08 118.16 113.99 1q48 n LYS 23 Ca 0.00 -3.92 -0.22 0.00 -0.87 0.00 0.00 58.31 53.29 1q48 n LYS 23 Cb 0.00 -1.85 -0.11 0.00 0.02 0.00 0.00 35.03 33.09 1q48 n LYS 23 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q48 s ASP 24 N -2.58 2.88 0.00 3.14 1.01 -1.26 -4.89 116.67 114.98 1q48 s ASP 24 Ca 0.42 -0.91 0.24 0.00 0.71 0.00 0.00 52.55 53.02 1q48 s ASP 24 Cb 0.29 -0.19 0.34 0.00 1.01 0.00 0.00 42.92 44.37 1q48 s ASP 24 CO -0.10 -0.02 1.32 -1.20 0.21 0.00 0.00 175.17 175.38 1q48 n SER 25 N 0.08 2.08 -0.96 0.27 7.64 -1.26 -3.93 113.62 117.53 1q48 n SER 25 Ca -0.11 -1.56 0.12 0.00 1.01 0.00 0.00 58.87 58.33 1q48 n SER 25 Cb 0.58 0.20 0.25 0.00 -1.01 0.00 0.00 64.21 64.23 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 0.32 2.91 -4.20 6.43 3.02 -1.26 -4.23 115.26 118.25 1q48 n ASN 26 Ca 0.13 -1.91 -0.40 0.00 -0.03 0.00 0.00 54.58 52.36 1q48 n ASN 26 Cb 0.47 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.66 4.22 0.41 2.41 1.01 -1.25 -0.83 120.40 124.70 1q48 s VAL 27 Ca 0.36 -2.13 -0.10 0.00 0.00 0.00 0.00 61.98 60.11 1q48 s VAL 27 Cb 0.21 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1q48 s VAL 27 CO 0.30 -0.82 0.77 -0.83 0.00 0.00 0.00 175.10 174.52 1q48 s GLY 28 N 2.14 1.88 -0.08 4.51 0.00 -0.56 -4.88 107.32 110.33 1q48 s GLY 28 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.54 1q48 s GLY 28 CO -0.03 -0.07 0.05 -1.59 0.00 0.00 0.00 173.10 171.47 1q48 s THR 29 N -2.42 0.05 -0.36 0.90 2.01 -1.26 -2.16 115.64 112.40 1q48 s THR 29 Ca 0.51 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.50 1q48 s THR 29 Cb -0.10 -0.38 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1q48 s THR 29 CO 0.33 0.08 0.46 -0.83 -0.69 0.00 0.00 174.62 173.97 1q48 s GLY 30 N 2.10 1.85 -0.27 4.40 0.00 0.30 -3.95 107.32 111.74 1q48 s GLY 30 Ca 0.04 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.65 1q48 s GLY 30 CO -0.05 1.18 -0.08 -0.29 0.00 0.00 0.00 173.10 173.86 1q48 s MET 31 N 2.26 2.15 0.31 2.90 1.75 -1.26 -0.41 119.30 127.00 1q48 s MET 31 Ca 0.16 -1.42 0.04 0.00 -1.25 0.00 0.00 55.69 53.22 1q48 s MET 31 Cb -0.16 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 34.51 1q48 s MET 31 CO 0.13 -0.63 0.17 0.14 -0.65 0.00 0.00 175.02 174.18 1q48 s VAL 32 N 1.09 0.32 0.08 10.11 -7.23 -0.81 -4.99 120.40 118.98 1q48 s VAL 32 Ca -0.06 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.84 1q48 s VAL 32 Cb -0.20 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.33 1q48 s VAL 32 CO -0.05 0.00 1.04 -0.83 -0.31 0.00 0.00 175.10 174.95 1q48 s GLY 33 N -3.39 -0.30 -0.68 2.32 0.00 -1.26 -2.27 107.32 101.72 1q48 s GLY 33 Ca 0.35 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.54 1q48 s GLY 33 CO 0.18 0.09 0.47 0.00 0.00 0.00 0.00 173.10 173.85 1q48 s ALA 34 N -3.03 3.71 0.06 3.20 0.00 -0.60 -4.93 121.76 120.16 1q48 s ALA 34 Ca 0.12 -3.76 0.06 0.00 0.00 0.00 0.00 51.96 48.38 1q48 s ALA 34 Cb 0.00 -2.15 0.35 0.00 0.00 0.00 0.00 23.12 21.32 1q48 s ALA 34 CO -0.01 -2.09 1.00 -2.30 0.00 0.00 0.00 175.76 172.37 1q48 n PRO 35 N 2.07 0.05 0.26 0.00 -0.02 -1.26 -0.81 135.00 135.28 1q48 n PRO 35 Ca 0.19 0.47 -0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1q48 n PRO 35 Cb 0.35 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1q48 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q48 h ALA 36 N 0.71 -0.73 -0.00 3.55 0.00 -1.95 -3.30 119.26 117.54 1q48 h ALA 36 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q48 h ALA 36 Cb 0.91 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1q48 h ALA 36 CO 0.00 -0.68 -0.51 0.00 0.00 0.00 0.00 179.25 178.07 1q48 n GLY 38 N 1.46 0.79 3.83 0.00 0.00 0.01 -5.06 105.19 106.22 1q48 n GLY 38 Ca 0.07 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.96 5.87 -0.02 1.61 1.01 -1.13 -4.96 116.67 116.09 1q48 s ASP 39 Ca 0.00 0.14 0.08 0.00 0.71 0.00 0.00 52.55 53.47 1q48 s ASP 39 Cb 0.00 -1.70 -0.02 0.00 1.01 0.00 0.00 42.92 42.21 1q48 s ASP 39 CO 0.00 0.21 -0.25 -0.69 0.21 0.00 0.00 175.17 174.65 1q48 s VAL 40 N -1.37 1.94 -0.11 -1.27 1.01 -1.26 -1.56 120.40 117.78 1q48 s VAL 40 Ca 0.29 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1q48 s VAL 40 Cb -0.12 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.70 1q48 s VAL 40 CO 0.21 0.55 0.26 -0.32 0.00 0.00 0.00 175.10 175.80 1q48 s MET 41 N -0.57 0.22 -0.10 2.72 1.75 -0.96 -3.95 119.30 118.42 1q48 s MET 41 Ca 0.09 0.55 -0.01 0.00 -1.25 0.00 0.00 55.69 55.07 1q48 s MET 41 Cb -0.10 -0.11 0.03 0.00 2.84 0.00 0.00 34.83 37.49 1q48 s MET 41 CO -0.01 -0.16 -0.02 -1.14 -0.65 0.00 0.00 175.02 173.04 1q48 s GLN 42 N 1.28 0.90 -0.11 4.11 0.74 -0.93 -1.92 119.66 123.72 1q48 s GLN 42 Ca -0.09 -0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.28 1q48 s GLN 42 Cb -0.10 -1.29 0.01 0.00 1.10 0.00 0.00 33.01 32.72 1q48 s GLN 42 CO -0.09 -0.33 -0.21 -1.17 -0.55 0.00 0.00 175.29 172.94 1q48 s LEU 43 N 1.88 2.00 0.40 3.68 0.20 0.46 -1.86 118.68 125.42 1q48 s LEU 43 Ca 0.04 -0.53 0.08 0.00 0.69 0.00 0.00 54.13 54.41 1q48 s LEU 43 Cb -0.13 -1.32 -0.02 0.00 -0.43 0.00 0.00 46.19 44.29 1q48 s LEU 43 CO -0.06 0.10 0.37 -1.10 -0.29 0.00 0.00 176.35 175.36 1q48 s GLN 44 N 0.65 2.59 -0.16 1.98 -0.21 -0.54 0.11 119.66 124.08 1q48 s GLN 44 Ca -0.12 -1.46 -0.08 0.00 0.02 0.00 0.00 55.36 53.72 1q48 s GLN 44 Cb -0.16 -2.42 0.06 0.00 1.00 0.00 0.00 33.01 31.49 1q48 s GLN 44 CO 0.03 -0.13 0.36 0.96 -2.12 0.00 0.00 175.29 174.39 1q48 s ILE 45 N -2.43 -0.14 -0.48 1.08 -4.36 -0.92 -3.40 121.20 110.55 1q48 s ILE 45 Ca 0.47 0.13 -0.16 0.00 -0.26 0.00 0.00 60.65 60.83 1q48 s ILE 45 Cb -0.04 -0.55 0.07 0.00 1.25 0.00 0.00 42.46 43.19 1q48 s ILE 45 CO 0.28 0.05 0.45 -0.75 0.24 0.00 0.00 174.94 175.21 1q48 s LYS 46 N 1.61 3.01 0.33 0.37 2.20 -1.00 -1.49 119.74 124.77 1q48 s LYS 46 Ca -0.08 -1.26 -0.26 0.00 -0.36 0.00 0.00 55.97 54.02 1q48 s LYS 46 Cb -0.10 -4.13 -0.10 0.00 -1.51 0.00 0.00 37.83 32.00 1q48 s LYS 46 CO -0.11 -1.08 0.94 0.08 -0.36 0.00 0.00 175.35 174.82 1q48 s VAL 47 N 1.86 4.23 0.00 4.02 1.01 -0.01 -1.60 120.40 129.91 1q48 s VAL 47 Ca 0.06 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1q48 s VAL 47 Cb -0.23 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1q48 s VAL 47 CO 0.08 0.11 0.00 -0.67 0.00 0.00 0.00 175.10 174.62 1q48 n ASP 48 N 0.47 0.00 -0.18 3.32 2.03 0.37 -4.77 116.55 117.80 1q48 n ASP 48 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1q48 n ASP 48 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1q48 n ASP 48 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1q48 n ASP 49 N 0.00 0.00 0.00 1.67 2.03 -1.26 -4.86 116.55 114.13 1q48 n ASP 49 Ca 0.00 -1.21 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1q48 n ASP 49 Cb 0.00 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1q48 n ASP 49 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1q48 n ASN 50 N 0.00 0.04 0.00 1.67 3.02 -1.26 -4.98 115.26 113.75 1q48 n ASN 50 Ca 0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1q48 n ASN 50 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.00 0.68 3.80 7.41 0.00 -1.26 -5.02 105.19 110.79 1q48 n GLY 51 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.41 -0.88 -0.61 -1.09 -1.26 -3.01 121.20 116.75 1q48 s ILE 52 Ca 0.00 1.53 -0.19 0.00 -2.23 0.00 0.00 60.65 59.77 1q48 s ILE 52 Cb 0.00 -3.94 0.13 0.00 -1.58 0.00 0.00 42.46 37.07 1q48 s ILE 52 CO 0.00 0.21 1.07 -0.63 -1.23 0.00 0.00 174.94 174.36 1q48 s ILE 53 N -1.53 4.74 0.16 2.92 1.01 -0.43 -0.47 121.20 127.61 1q48 s ILE 53 Ca 0.45 -1.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 1q48 s ILE 53 Cb -0.18 -4.74 0.06 0.00 0.01 0.00 0.00 42.46 37.61 1q48 s ILE 53 CO 0.23 -1.46 1.60 -0.08 0.00 0.00 0.00 174.94 175.23 1q48 h GLU 54 N 8.86 -0.24 0.00 2.79 4.81 -1.60 -0.12 114.58 129.09 1q48 h GLU 54 Ca 0.09 0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 58.97 1q48 h GLU 54 Cb 1.03 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 1q48 h GLU 54 CO 1.09 -0.16 -0.34 -3.47 -0.73 0.00 0.00 179.01 175.41 1q48 n ASP 55 N -5.41 0.09 -3.42 1.04 -0.08 -1.21 -4.40 116.55 103.15 1q48 n ASP 55 Ca 0.01 -2.60 0.01 0.00 -1.51 0.00 0.00 54.79 50.70 1q48 n ASP 55 Cb 0.33 1.05 -0.03 0.00 2.34 0.00 0.00 41.12 44.81 1q48 n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q48 s ALA 56 N -2.93 -2.34 -0.02 -1.67 0.00 -1.26 -2.37 121.76 111.16 1q48 s ALA 56 Ca 0.24 2.08 -0.10 0.00 0.00 0.00 0.00 51.96 54.18 1q48 s ALA 56 Cb 0.01 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1q48 s ALA 56 CO 0.17 -1.09 0.29 0.21 0.00 0.00 0.00 175.76 175.34 1q48 s LYS 57 N 2.81 3.67 0.31 0.00 2.20 -1.22 -4.99 119.74 122.52 1q48 s LYS 57 Ca 0.03 0.10 0.10 0.00 -0.36 0.00 0.00 55.97 55.84 1q48 s LYS 57 Cb -0.12 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1q48 s LYS 57 CO -0.19 0.69 -0.06 -0.59 -0.36 0.00 0.00 175.35 174.85 1q48 s PHE 58 N -1.15 2.49 -0.32 4.03 -0.71 -1.26 -1.47 117.98 119.59 1q48 s PHE 58 Ca 0.23 -0.37 0.05 0.00 -1.04 0.00 0.00 56.93 55.80 1q48 s PHE 58 Cb -0.14 -1.29 0.18 0.00 -1.21 0.00 0.00 43.02 40.57 1q48 s PHE 58 CO 0.12 0.58 0.54 0.21 -1.34 0.00 0.00 175.22 175.33 1q48 s LYS 59 N -3.64 0.58 -0.15 1.99 2.20 -0.78 -4.95 119.74 114.99 1q48 s LYS 59 Ca 0.33 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 1q48 s LYS 59 Cb -0.02 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1q48 s LYS 59 CO 0.18 -1.09 -0.17 0.95 -0.36 0.00 0.00 175.35 174.86 1q48 s THR 60 N 2.45 2.47 -0.32 3.43 -4.23 -1.26 -2.19 115.64 115.99 1q48 s THR 60 Ca 0.12 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 1q48 s THR 60 Cb -0.10 -2.03 0.16 0.00 1.34 0.00 0.00 72.50 71.87 1q48 s THR 60 CO -0.22 0.52 0.39 -0.47 -0.54 0.00 0.00 174.62 174.31 1q48 s TYR 61 N 0.85 -0.79 0.00 3.99 5.04 -1.25 -4.94 117.35 120.25 1q48 s TYR 61 Ca -0.05 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1q48 s TYR 61 Cb -0.15 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 41.91 1q48 s TYR 61 CO -0.01 -0.98 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 1q48 n GLY 62 N 5.03 0.47 2.91 8.97 0.00 -1.26 -4.42 105.19 116.89 1q48 n GLY 62 Ca 0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 4.77 2.36 0.00 0.00 0.00 -1.26 -2.65 105.19 108.41 1q48 n GLY 64 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1q48 n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q48 n SER 65 N 2.37 0.00 -0.39 1.61 2.88 -1.26 -4.88 113.62 113.95 1q48 n SER 65 Ca 0.24 -1.00 0.08 0.00 -1.33 0.00 0.00 58.87 56.86 1q48 n SER 65 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1q48 n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q48 n ALA 66 N 0.00 3.10 0.20 -1.46 0.00 -1.08 -4.62 120.51 116.63 1q48 n ALA 66 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1q48 n ALA 66 Cb 0.32 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 1.90 0.00 0.00 0.00 5.03 -1.90 -1.89 117.51 120.64 1q48 h ILE 67 Ca 0.00 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1q48 h ILE 67 Cb 0.55 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1q48 h ILE 67 CO 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 1q48 n ALA 68 N -2.29 0.00 -0.34 1.87 0.00 -1.26 0.21 120.51 118.70 1q48 n ALA 68 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1q48 n ALA 68 Cb 0.20 0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1q48 n ALA 68 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q48 h SER 69 N 0.00 -2.03 -0.76 0.00 4.64 -1.84 0.53 113.55 114.09 1q48 h SER 69 Ca 0.00 0.30 0.17 0.00 -0.47 0.00 0.00 61.79 61.79 1q48 h SER 69 Cb 0.00 0.88 -0.13 0.00 -0.31 0.00 0.00 62.40 62.84 1q48 h SER 69 CO 0.00 -0.27 -0.00 0.77 -0.87 0.00 0.00 176.83 176.46 1q48 h SER 70 N -0.10 -0.36 -0.09 4.97 4.64 0.14 1.72 113.55 124.46 1q48 h SER 70 Ca 0.13 0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.68 1q48 h SER 70 Cb 0.44 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1q48 h SER 70 CO -0.82 -0.18 0.13 0.28 -0.87 0.00 0.00 176.83 175.37 1q48 h SER 71 N 0.10 0.00 0.00 4.97 0.02 0.44 -2.05 113.55 117.02 1q48 h SER 71 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1q48 h SER 71 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1q48 h SER 71 CO -0.67 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 174.91 1q48 n LEU 72 N -3.59 0.43 -0.16 5.07 7.94 0.58 -2.36 117.00 124.91 1q48 n LEU 72 Ca -0.01 0.45 0.26 0.00 -1.11 0.00 0.00 56.01 55.60 1q48 n LEU 72 Cb 0.23 -0.42 0.41 0.00 0.53 0.00 0.00 43.42 44.17 1q48 n LEU 72 CO 0.25 -0.42 1.24 -0.29 -1.11 0.00 0.00 177.39 177.05 1q48 h ILE 73 N 0.00 0.01 0.14 1.96 2.10 -1.32 0.55 117.51 120.95 1q48 h ILE 73 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1q48 h ILE 73 Cb 0.00 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 35.76 1q48 h ILE 73 CO 0.00 0.00 -0.07 0.71 -1.08 0.00 0.00 178.15 177.71 1q48 h THR 74 N 0.00 0.62 0.00 2.19 1.35 -1.42 -1.93 112.91 113.72 1q48 h THR 74 Ca 0.45 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1q48 h THR 74 Cb 2.80 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1q48 h THR 74 CO -0.00 0.18 0.00 -0.08 -0.25 0.00 0.00 175.52 175.37 1q48 h GLU 75 N -0.97 0.00 0.04 4.72 4.81 0.42 -0.66 114.58 122.94 1q48 h GLU 75 Ca -0.02 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.91 1q48 h GLU 75 Cb 0.44 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1q48 h GLU 75 CO 0.03 0.00 -1.68 2.35 -0.73 0.00 0.00 179.01 178.98 1q48 h TRP 76 N 0.00 0.15 -2.09 0.92 2.91 -1.13 -3.37 115.95 113.34 1q48 h TRP 76 Ca 0.00 -0.11 -0.75 0.00 1.13 0.00 0.00 58.89 59.17 1q48 h TRP 76 Cb 0.01 -0.01 -0.30 0.00 -0.51 0.00 0.00 29.16 28.35 1q48 h TRP 76 CO 0.00 1.19 0.66 1.33 -1.03 0.00 0.00 178.44 180.59 1q48 n VAL 77 N -3.20 4.46 -3.68 2.65 0.24 -0.26 -4.67 118.33 113.86 1q48 n VAL 77 Ca -0.18 -5.23 -0.28 0.00 -2.04 0.00 0.00 64.34 56.61 1q48 n VAL 77 Cb 1.04 -1.39 -0.12 0.00 -1.47 0.00 0.00 33.84 31.90 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 -4.06 1.54 0.00 7.34 2.47 -1.20 -4.70 119.74 121.13 1q48 s LYS 78 Ca 0.46 -2.44 0.00 0.00 -1.56 0.00 0.00 55.97 52.43 1q48 s LYS 78 Cb 0.31 -2.42 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 1q48 s LYS 78 CO -0.24 -1.26 0.00 0.41 0.16 0.00 0.00 175.35 174.42 1q48 n GLY 79 N 2.88 1.84 1.71 5.54 0.00 -0.06 -5.01 105.19 112.09 1q48 n GLY 79 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.69 -0.83 -3.81 1.61 4.76 -1.26 -4.43 118.16 113.51 1q48 n LYS 80 Ca 0.00 -0.90 -0.24 0.00 -2.87 0.00 0.00 58.31 54.30 1q48 n LYS 80 Cb 0.00 -0.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.53 1q48 n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1q48 s SER 81 N -3.13 4.73 0.51 4.39 0.01 -1.26 -1.31 113.70 117.64 1q48 s SER 81 Ca 0.34 -1.05 0.25 0.00 1.31 0.00 0.00 55.95 56.79 1q48 s SER 81 Cb -0.01 -0.05 1.37 0.00 0.21 0.00 0.00 66.02 67.54 1q48 s SER 81 CO 0.24 -0.87 2.07 -0.07 0.41 0.00 0.00 173.24 175.01 1q48 h LEU 82 N 0.94 0.00 -1.72 2.44 3.38 -1.93 -1.13 115.31 117.29 1q48 h LEU 82 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1q48 h LEU 82 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1q48 h LEU 82 CO 0.59 0.13 0.00 -0.08 0.09 0.00 0.00 178.44 179.17 1q48 h GLU 83 N 0.00 0.00 0.00 1.13 4.81 -1.90 0.15 114.58 118.77 1q48 h GLU 83 Ca -0.00 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 1q48 h GLU 83 Cb 0.31 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1q48 h GLU 83 CO 0.02 0.00 -2.46 -1.91 -0.73 0.00 0.00 179.01 173.92 1q48 n GLU 84 N -2.68 0.65 0.18 1.92 2.13 -0.46 -4.35 120.64 118.03 1q48 n GLU 84 Ca -0.01 0.13 0.05 0.00 0.66 0.00 0.00 57.16 58.00 1q48 n GLU 84 Cb 0.15 -1.52 0.24 0.00 0.27 0.00 0.00 31.44 30.58 1q48 n GLU 84 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q48 h ALA 85 N 0.11 0.87 -1.24 4.31 0.00 -1.24 -2.92 119.26 119.15 1q48 h ALA 85 Ca -0.57 -0.36 -0.75 0.00 0.00 0.00 0.00 54.91 53.22 1q48 h ALA 85 Cb 1.94 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 19.36 1q48 h ALA 85 CO -0.08 0.50 0.73 0.41 0.00 0.00 0.00 179.25 180.81 1q48 n GLY 86 N 0.60 5.80 0.00 0.00 0.00 0.50 -4.40 105.19 107.69 1q48 n GLY 86 Ca 0.01 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.34 0.00 -0.27 4.61 0.00 -1.23 -4.89 120.51 118.39 1q48 n ALA 87 Ca 0.48 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.10 1q48 n ALA 87 Cb 0.30 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.62 -0.33 -1.86 0.00 -5.35 -1.10 -4.86 119.36 105.23 1q48 n ILE 88 Ca 0.00 1.69 0.00 0.00 -0.27 0.00 0.00 62.75 64.17 1q48 n ILE 88 Cb 0.00 -2.58 0.00 0.00 -1.74 0.00 0.00 39.64 35.32 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 -4.98 -4.79 -0.24 6.28 5.02 -1.26 -3.55 118.16 114.64 1q48 n LYS 89 Ca 0.24 3.47 0.30 0.00 -2.02 0.00 0.00 58.31 60.29 1q48 n LYS 89 Cb 0.79 -3.69 0.49 0.00 -0.02 0.00 0.00 35.03 32.61 1q48 n LYS 89 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1q48 h ASN 90 N 3.70 0.00 -0.99 4.39 7.08 -1.92 0.89 115.58 128.74 1q48 h ASN 90 Ca 0.00 0.00 0.23 0.00 -3.08 0.00 0.00 56.30 53.45 1q48 h ASN 90 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.15 1q48 h ASN 90 CO 0.00 0.00 0.63 0.28 -2.08 0.00 0.00 177.43 176.26 1q48 h SER 91 N 0.00 0.52 0.00 6.14 0.02 -1.96 0.79 113.55 119.07 1q48 h SER 91 Ca 0.51 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1q48 h SER 91 Cb 2.89 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 65.41 1q48 h SER 91 CO -0.01 0.16 -0.17 -0.61 -1.14 0.00 0.00 176.83 175.06 1q48 h GLN 92 N 0.49 0.00 -0.99 3.45 4.15 0.78 -1.75 115.11 121.24 1q48 h GLN 92 Ca 0.55 0.00 0.24 0.00 0.77 0.00 0.00 58.65 60.21 1q48 h GLN 92 Cb 1.25 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.75 1q48 h GLN 92 CO -0.28 0.00 -0.10 0.82 -1.93 0.00 0.00 178.83 177.34 1q48 h ILE 93 N -0.97 0.01 0.20 2.39 2.04 -1.53 0.08 117.51 119.73 1q48 h ILE 93 Ca 0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1q48 h ILE 93 Cb 0.17 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1q48 h ILE 93 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.05 1q48 h ALA 94 N 1.99 -0.27 -1.28 1.87 0.00 -0.99 -2.66 119.26 117.93 1q48 h ALA 94 Ca 0.55 -0.21 0.41 0.00 0.00 0.00 0.00 54.91 55.66 1q48 h ALA 94 Cb 1.01 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 1q48 h ALA 94 CO -0.97 -0.34 0.86 -1.91 0.00 0.00 0.00 179.25 176.89 1q48 n GLU 95 N -4.96 -0.02 -0.04 0.00 2.13 -0.08 0.29 120.64 117.95 1q48 n GLU 95 Ca -0.08 0.97 -0.01 0.00 0.66 0.00 0.00 57.16 58.71 1q48 n GLU 95 Cb 0.25 -2.01 -0.00 0.00 0.27 0.00 0.00 31.44 29.95 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 4.57 -1.22 -3.31 114.58 119.92 1q48 h GLU 96 Ca 0.73 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.91 1q48 h GLU 96 Cb 2.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.15 1q48 h GLU 96 CO -0.26 0.00 0.00 1.25 -1.18 0.00 0.00 179.01 178.82 1q48 h LEU 97 N -0.78 0.00 -1.85 1.64 5.85 -0.44 -3.45 115.31 116.28 1q48 h LEU 97 Ca 0.00 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.16 1q48 h LEU 97 Cb 0.07 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 40.87 1q48 h LEU 97 CO 0.00 0.00 -0.86 1.21 -0.34 0.00 0.00 178.44 178.45 1q48 n GLU 98 N -2.59 -0.89 -2.30 1.25 4.07 0.82 -4.84 120.64 116.16 1q48 n GLU 98 Ca -0.01 0.09 -0.35 0.00 -0.06 0.00 0.00 57.16 56.84 1q48 n GLU 98 Cb 0.12 -3.47 -0.00 0.00 -0.06 0.00 0.00 31.44 28.02 1q48 n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1q48 s LEU 99 N -6.85 3.74 -0.43 4.31 2.34 -1.26 -4.81 118.68 115.72 1q48 s LEU 99 Ca 0.19 2.09 -0.35 0.00 0.06 0.00 0.00 54.13 56.12 1q48 s LEU 99 Cb -0.11 -4.57 -0.16 0.00 -0.56 0.00 0.00 46.19 40.79 1q48 s LEU 99 CO 0.90 -1.12 1.76 -2.65 -1.06 0.00 0.00 176.35 174.18 1q48 n PRO 100 N -1.30 0.00 0.00 1.48 -0.02 -1.26 -4.76 135.00 129.14 1q48 n PRO 100 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1q48 n PRO 100 Cb 0.51 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 6.12 0.89 -0.07 0.52 -0.04 -1.26 -3.77 135.00 137.40 1q48 n PRO 101 Ca 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 1q48 n PRO 101 Cb -0.03 -1.29 0.04 0.00 -0.04 0.00 0.00 33.50 32.19 1q48 n PRO 101 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1q48 n VAL 102 N -0.15 0.19 0.00 0.52 0.24 -1.26 -4.31 118.33 113.57 1q48 n VAL 102 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1q48 n VAL 102 Cb 0.14 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1q48 n VAL 102 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1q48 n LYS 103 N -0.13 0.00 -3.96 7.34 3.00 -1.25 -5.04 118.16 118.11 1q48 n LYS 103 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.96 1q48 n LYS 103 Cb 0.18 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.22 1q48 n LYS 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1q48 n VAL 104 N -0.94 -3.61 -0.09 3.15 0.31 -1.25 -4.89 118.33 111.02 1q48 n VAL 104 Ca 0.00 -0.70 -0.11 0.00 -0.01 0.00 0.00 64.34 63.52 1q48 n VAL 104 Cb 0.00 -2.87 -0.04 0.00 -0.91 0.00 0.00 33.84 30.02 1q48 n VAL 104 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1q48 n HIS 105 N -4.67 0.46 -0.20 3.52 8.25 -1.26 -4.02 115.22 117.29 1q48 n HIS 105 Ca -0.15 0.20 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1q48 n HIS 105 Cb 0.60 -0.72 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 1q48 n HIS 105 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q48 h SER 107 N -0.29 -1.26 -0.71 0.00 4.64 -1.98 -0.62 113.55 113.32 1q48 h SER 107 Ca 0.09 0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1q48 h SER 107 Cb 0.53 0.53 -0.09 0.00 -0.31 0.00 0.00 62.40 63.07 1q48 h SER 107 CO -0.65 -0.21 -0.42 -0.38 -0.87 0.00 0.00 176.83 174.30 1q48 n ILE 108 N -4.40 -0.49 -0.33 0.95 5.41 -0.68 0.22 119.36 120.04 1q48 n ILE 108 Ca -0.01 2.01 0.22 0.00 1.00 0.00 0.00 62.75 65.98 1q48 n ILE 108 Cb 0.19 -2.52 0.48 0.00 -0.71 0.00 0.00 39.64 37.09 1q48 n ILE 108 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1q48 h LEU 109 N 0.00 0.50 0.00 1.39 4.07 -0.57 -0.18 115.31 120.52 1q48 h LEU 109 Ca 0.11 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1q48 h LEU 109 Cb 0.29 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1q48 h LEU 109 CO -0.67 0.08 0.00 0.00 -1.08 0.00 0.00 178.44 176.77 1q48 n ALA 110 N -2.44 -0.31 -0.12 1.53 0.00 0.58 -1.29 120.51 118.48 1q48 n ALA 110 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 1q48 n ALA 110 Cb 0.86 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.38 -1.11 0.00 4.57 -1.04 0.34 114.58 116.96 1q48 h GLU 111 Ca 0.00 0.03 0.36 0.00 -1.18 0.00 0.00 59.36 58.57 1q48 h GLU 111 Cb 0.00 0.09 -0.14 0.00 -0.16 0.00 0.00 28.75 28.54 1q48 h GLU 111 CO 0.00 -0.25 0.66 -0.44 -1.18 0.00 0.00 179.01 177.80 1q48 h ASP 112 N -0.39 0.40 0.17 1.04 3.32 -1.10 0.28 116.42 120.15 1q48 h ASP 112 Ca 0.10 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1q48 h ASP 112 Cb 0.60 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1q48 h ASP 112 CO -0.57 -0.17 -0.08 0.00 -1.72 0.00 0.00 179.24 176.70 1q48 h ALA 113 N 1.77 -0.23 -0.81 3.45 0.00 0.10 -0.35 119.26 123.20 1q48 h ALA 113 Ca 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 1q48 h ALA 113 Cb 2.02 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 1q48 h ALA 113 CO -0.54 -0.56 0.44 0.97 0.00 0.00 0.00 179.25 179.57 1q48 h ILE 114 N -0.37 1.24 -0.78 0.00 6.09 -0.10 0.50 117.51 124.09 1q48 h ILE 114 Ca -0.02 -0.60 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 1q48 h ILE 114 Cb 0.29 0.16 -0.04 0.00 0.47 0.00 0.00 36.82 37.70 1q48 h ILE 114 CO 0.04 0.27 0.39 0.50 -3.07 0.00 0.00 178.15 176.28 1q48 h LYS 115 N 1.12 1.11 -0.15 2.19 3.64 -0.85 -1.60 116.57 122.03 1q48 h LYS 115 Ca 0.28 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1q48 h LYS 115 Cb 0.03 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1q48 h LYS 115 CO -0.05 0.84 -0.12 0.00 -2.27 0.00 0.00 179.45 177.86 1q48 h ALA 116 N 1.20 0.22 -0.70 5.00 0.00 -0.54 -2.55 119.26 121.90 1q48 h ALA 116 Ca 0.27 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1q48 h ALA 116 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1q48 h ALA 116 CO -0.04 0.07 0.47 0.00 0.00 0.00 0.00 179.25 179.75 1q48 h ALA 117 N 0.63 2.09 0.16 0.00 0.00 -0.68 -1.91 119.26 119.56 1q48 h ALA 117 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1q48 h ALA 117 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1q48 h ALA 117 CO 0.03 -0.27 -0.08 0.82 0.00 0.00 0.00 179.25 179.75 1q48 h ILE 118 N 0.40 0.00 -0.93 0.00 2.04 -1.08 -1.05 117.51 116.89 1q48 h ILE 118 Ca 0.34 -0.14 0.25 0.00 1.00 0.00 0.00 64.86 66.30 1q48 h ILE 118 Cb 0.75 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.66 1q48 h ILE 118 CO -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.04 1q48 n ALA 119 N -2.22 0.45 -0.17 1.87 0.00 -0.98 0.18 120.51 119.64 1q48 n ALA 119 Ca -0.03 1.01 -0.08 0.00 0.00 0.00 0.00 53.44 54.33 1q48 n ALA 119 Cb 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 18.82 1q48 n ALA 119 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1q48 h ASP 120 N 0.00 0.68 -0.82 0.00 5.19 -1.36 0.11 116.42 120.22 1q48 h ASP 120 Ca 0.56 -0.17 0.07 0.00 -0.62 0.00 0.00 57.03 56.87 1q48 h ASP 120 Cb 1.12 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.39 1q48 h ASP 120 CO -0.89 0.67 0.49 0.22 -3.12 0.00 0.00 179.24 176.61 1q48 h TYR 121 N 0.66 0.90 -0.15 4.55 3.20 0.32 -2.15 116.97 124.30 1q48 h TYR 121 Ca 0.16 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 1q48 h TYR 121 Cb 0.20 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1q48 h TYR 121 CO 0.01 0.43 -0.38 0.87 -1.64 0.00 0.00 178.16 177.44 1q48 h LYS 122 N 0.87 0.52 0.00 1.82 1.57 -0.69 -0.83 116.57 119.83 1q48 h LYS 122 Ca 0.37 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1q48 h LYS 122 Cb 0.24 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1q48 h LYS 122 CO -0.20 0.98 0.18 0.00 -0.57 0.00 0.00 179.45 179.83 1q48 n ALA 123 N -2.51 0.71 -0.01 3.86 0.00 0.34 0.22 120.51 123.13 1q48 n ALA 123 Ca -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1q48 n ALA 123 Cb 0.52 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 1q48 n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q48 n LYS 124 N -1.65 0.13 -0.16 0.00 5.02 -0.97 -3.59 118.16 116.93 1q48 n LYS 124 Ca -0.00 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.36 1q48 n LYS 124 Cb 0.19 -0.60 0.09 0.00 -0.02 0.00 0.00 35.03 34.69 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 -3.14 1.70 0.00 1.97 7.27 -0.35 -4.28 117.38 120.55 1q48 n GLN 125 Ca -0.03 -0.74 0.00 0.00 0.07 0.00 0.00 57.00 56.30 1q48 n GLN 125 Cb 0.12 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.37 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 0.50 -1.46 0.00 1.69 0.00 0.61 -4.61 105.19 101.92 1q48 n GLY 126 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1q48 n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q48 n LEU 127 N -0.11 0.08 0.00 0.99 4.77 -1.26 -5.07 117.00 116.40 1q48 n LEU 127 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1q48 n LEU 127 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1q48 n LEU 127 CO 0.00 0.02 0.00 1.21 -1.33 0.00 0.00 177.39 177.29 1q48 n GLU 128 N -0.64 0.00 -1.98 3.23 2.13 -1.26 -5.02 120.64 117.10 1q48 n GLU 128 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1q48 n GLU 128 Cb 0.01 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.71 1q48 n GLU 128 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1q48 n HIS 129 N 0.00 2.42 0.00 4.31 8.25 -1.26 -4.40 115.22 124.54 1q48 n HIS 129 Ca 0.00 -2.42 0.00 0.00 -0.26 0.00 0.00 57.72 55.04 1q48 n HIS 129 Cb 0.00 -1.44 0.00 0.00 1.12 0.00 0.00 29.99 29.67 1q48 n HIS 129 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q48 n HIS 130 N 0.64 -0.74 -3.53 4.41 -0.00 -1.26 -5.06 115.22 109.68 1q48 n HIS 130 Ca 0.54 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.57 1q48 n HIS 130 Cb 0.33 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.15 1q48 n HIS 130 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1q48 s HIS 131 N 0.00 -0.54 -0.35 1.57 -3.43 -1.24 -4.85 115.29 106.45 1q48 s HIS 131 Ca 0.00 0.89 -0.32 0.00 -0.80 0.00 0.00 55.06 54.83 1q48 s HIS 131 Cb 0.00 0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 1q48 s HIS 131 CO 0.00 -0.53 2.25 1.58 -2.00 0.00 0.00 174.74 176.04 1q48 n HIS 132 N 0.74 1.65 -1.54 0.38 -0.00 -1.26 -4.75 115.22 110.44 1q48 n HIS 132 Ca -0.16 0.14 -0.16 0.00 0.46 0.00 0.00 57.72 58.01 1q48 n HIS 132 Cb 0.58 -2.60 -0.12 0.00 -0.12 0.00 0.00 29.99 27.73 1q48 n HIS 132 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q48 n HIS 133 N 11.12 0.79 1.51 1.57 -0.00 -1.26 -5.24 115.22 123.71 1q48 n HIS 133 Ca 0.38 -0.02 0.14 0.00 0.46 0.00 0.00 57.72 58.69 1q48 n HIS 133 Cb 0.32 -1.95 0.53 0.00 -0.12 0.00 0.00 29.99 28.77 1q48 n HIS 133 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38