#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgs s SER 2 N 0.00 -0.48 0.00 0.00 0.01 -1.26 -5.03 113.70 106.94 1mgs s SER 2 Ca 0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1mgs s SER 2 Cb 0.00 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.83 1mgs s SER 2 CO 0.00 -0.26 0.00 0.52 0.41 0.00 0.00 173.24 173.91 1mgs n VAL 3 N 5.40 0.00 -3.28 3.43 0.31 -1.26 -3.57 118.33 119.37 1mgs n VAL 3 Ca -0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1mgs n VAL 3 Cb 0.50 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1mgs n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mgs s ALA 4 N -1.00 -0.87 -0.17 3.52 0.00 -1.26 -4.98 121.76 117.00 1mgs s ALA 4 Ca 0.00 -0.79 0.18 0.00 0.00 0.00 0.00 51.96 51.35 1mgs s ALA 4 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1mgs s ALA 4 CO 0.00 -2.16 1.06 1.79 0.00 0.00 0.00 175.76 176.45 1mgs h THR 5 N 4.98 0.45 -0.56 0.00 1.35 -1.97 -3.44 112.91 113.73 1mgs h THR 5 Ca 0.07 -1.77 0.06 0.00 -0.55 0.00 0.00 66.41 64.22 1mgs h THR 5 Cb 1.08 2.01 -0.18 0.00 -1.73 0.00 0.00 68.15 69.32 1mgs h THR 5 CO 0.17 0.25 -0.24 -1.83 -0.25 0.00 0.00 175.52 173.62 1mgs s GLU 6 N -3.04 0.43 -0.38 4.72 -1.05 -1.26 -5.11 118.70 113.01 1mgs s GLU 6 Ca -0.00 -0.07 0.02 0.00 -0.15 0.00 0.00 54.97 54.77 1mgs s GLU 6 Cb 0.08 0.07 0.11 0.00 -0.44 0.00 0.00 34.13 33.95 1mgs s GLU 6 CO 0.78 -0.65 0.11 -0.51 0.95 0.00 0.00 175.26 175.94 1mgs s LEU 7 N 2.08 4.84 0.25 1.83 1.43 -1.26 -5.09 118.68 122.76 1mgs s LEU 7 Ca 0.16 -2.23 -0.08 0.00 -1.03 0.00 0.00 54.13 50.95 1mgs s LEU 7 Cb -0.01 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1mgs s LEU 7 CO -0.14 -0.40 0.56 -0.13 0.23 0.00 0.00 176.35 176.47 1mgs s ARG 8 N 0.82 3.74 -0.44 1.70 3.00 -1.26 -4.69 118.95 121.81 1mgs s ARG 8 Ca 0.11 0.19 -0.41 0.00 0.00 0.00 0.00 55.73 55.63 1mgs s ARG 8 Cb -0.20 -2.64 -0.16 0.00 0.00 0.00 0.00 34.95 31.95 1mgs s ARG 8 CO -0.06 0.27 2.16 0.00 0.00 0.00 0.00 175.30 177.67 1mgs h GLN 10 N 10.26 0.00 -2.10 0.00 4.15 -1.92 -1.31 115.11 124.21 1mgs h GLN 10 Ca -0.16 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.69 1mgs h GLN 10 Cb 1.38 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.67 1mgs h GLN 10 CO 1.06 0.00 -0.90 0.00 -1.93 0.00 0.00 178.83 177.06 1mgs h LEU 12 N 3.77 0.45 -8.18 0.00 -0.00 -1.59 -3.35 115.31 106.41 1mgs h LEU 12 Ca 0.12 0.20 -0.65 0.00 -0.00 0.00 0.00 57.88 57.55 1mgs h LEU 12 Cb 0.78 0.16 -0.34 0.00 -0.00 0.00 0.00 40.66 41.26 1mgs h LEU 12 CO 0.63 -0.16 -0.86 -1.10 -0.00 0.00 0.00 178.44 176.95 1mgs s GLN 13 N -5.68 2.81 0.26 1.13 -0.21 -1.26 -5.09 119.66 111.62 1mgs s GLN 13 Ca -0.10 -0.78 0.07 0.00 0.02 0.00 0.00 55.36 54.57 1mgs s GLN 13 Cb 0.30 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 1mgs s GLN 13 CO 0.79 0.02 0.19 0.95 -2.12 0.00 0.00 175.29 175.12 1mgs s THR 14 N 0.73 4.27 -0.06 -0.19 -4.23 -1.26 -4.66 115.64 110.24 1mgs s THR 14 Ca -0.10 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1mgs s THR 14 Cb -0.16 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 1mgs s THR 14 CO 0.01 -0.33 -0.07 -0.76 -0.54 0.00 0.00 174.62 172.93 1mgs s LEU 15 N -3.84 3.18 0.59 4.79 1.43 0.02 -4.79 118.68 120.06 1mgs s LEU 15 Ca 0.33 -0.03 0.32 0.00 -1.03 0.00 0.00 54.13 53.72 1mgs s LEU 15 Cb -0.07 -1.71 1.26 0.00 0.03 0.00 0.00 46.19 45.69 1mgs s LEU 15 CO 0.25 0.35 1.55 -0.61 0.23 0.00 0.00 176.35 178.12 1mgs h GLN 16 N 5.13 0.00 0.00 1.70 4.15 -1.93 -2.08 115.11 122.08 1mgs h GLN 16 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1mgs h GLN 16 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1mgs h GLN 16 CO 0.53 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.84 1mgs n GLY 17 N -1.70 -0.19 3.57 2.39 0.00 -1.26 -4.09 105.19 103.91 1mgs n GLY 17 Ca 0.23 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 1mgs n GLY 17 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mgs s ILE 18 N -2.76 0.00 0.60 -0.61 -5.25 -1.26 -5.04 121.20 106.88 1mgs s ILE 18 Ca 0.00 -0.13 -0.19 0.00 -0.99 0.00 0.00 60.65 59.34 1mgs s ILE 18 Cb 0.00 -1.23 -0.04 0.00 2.95 0.00 0.00 42.46 44.14 1mgs s ILE 18 CO 0.00 0.00 1.10 1.57 -1.79 0.00 0.00 174.94 175.82 1mgs n HIS 19 N -0.27 1.31 0.53 1.37 -0.00 -1.26 -4.87 115.22 112.02 1mgs n HIS 19 Ca -0.07 0.44 0.13 0.00 -0.00 0.00 0.00 57.72 58.22 1mgs n HIS 19 Cb 0.61 -2.20 0.34 0.00 -0.00 0.00 0.00 29.99 28.74 1mgs n HIS 19 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1mgs h PRO 20 N 0.65 0.00 0.00 1.57 0.13 -1.98 -2.96 132.00 129.42 1mgs h PRO 20 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1mgs h PRO 20 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1mgs h PRO 20 CO 0.52 0.00 -0.25 0.87 -0.23 0.00 0.00 178.00 178.91 1mgs h LYS 21 N 0.00 0.00 -2.37 0.86 1.57 -2.03 -3.28 116.57 111.33 1mgs h LYS 21 Ca 0.00 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.05 1mgs h LYS 21 Cb 0.80 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.92 1mgs h LYS 21 CO 0.00 0.25 1.59 0.09 -0.57 0.00 0.00 179.45 180.82 1mgs n ASN 22 N -3.20 7.58 -4.14 0.86 3.02 -1.12 -4.77 115.26 113.50 1mgs n ASN 22 Ca 0.02 -3.39 -0.11 0.00 -0.03 0.00 0.00 54.58 51.08 1mgs n ASN 22 Cb 0.59 -1.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.41 1mgs n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mgs s ILE 23 N -2.65 0.00 0.00 2.41 -1.09 -1.24 -4.31 121.20 114.32 1mgs s ILE 23 Ca 0.50 -1.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.08 1mgs s ILE 23 Cb 0.23 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 1mgs s ILE 23 CO -0.15 -0.00 0.00 1.67 -1.23 0.00 0.00 174.94 175.23 1mgs n GLN 24 N -0.30 0.00 -4.40 2.79 0.00 0.32 -3.06 117.38 112.72 1mgs n GLN 24 Ca 0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.80 1mgs n GLN 24 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.80 1mgs n GLN 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1mgs s SER 25 N -1.05 2.01 -0.25 1.69 1.04 -0.94 -4.88 113.70 111.33 1mgs s SER 25 Ca 0.00 -1.57 -0.10 0.00 0.48 0.00 0.00 55.95 54.76 1mgs s SER 25 Cb 0.00 0.36 0.10 0.00 0.10 0.00 0.00 66.02 66.59 1mgs s SER 25 CO 0.00 -0.87 0.55 -0.69 0.98 0.00 0.00 173.24 173.22 1mgs s VAL 26 N -3.45 -0.63 0.18 5.02 1.01 -1.26 -1.53 120.40 119.74 1mgs s VAL 26 Ca 0.32 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1mgs s VAL 26 Cb 0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1mgs s VAL 26 CO 0.17 0.03 0.17 0.21 0.00 0.00 0.00 175.10 175.68 1mgs s ASN 27 N 2.46 5.66 -0.43 3.32 2.47 -0.55 -4.89 114.94 122.97 1mgs s ASN 27 Ca -0.06 -0.10 0.06 0.00 0.42 0.00 0.00 52.86 53.18 1mgs s ASN 27 Cb -0.11 -1.51 0.20 0.00 -1.45 0.00 0.00 41.25 38.38 1mgs s ASN 27 CO -0.16 0.04 0.51 0.52 -3.72 0.00 0.00 177.10 174.29 1mgs n VAL 28 N -0.55 -0.75 -2.83 -5.21 0.31 -1.26 -1.53 118.33 106.50 1mgs n VAL 28 Ca -0.08 -2.95 -0.43 0.00 -0.01 0.00 0.00 64.34 60.87 1mgs n VAL 28 Cb 0.55 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 32.50 1mgs n VAL 28 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1mgs s LYS 29 N -0.05 3.13 1.06 5.55 2.47 -0.84 -4.94 119.74 126.12 1mgs s LYS 29 Ca 0.33 -0.75 -0.17 0.00 -1.56 0.00 0.00 55.97 53.82 1mgs s LYS 29 Cb 0.09 -4.21 0.07 0.00 -1.46 0.00 0.00 37.83 32.31 1mgs s LYS 29 CO -0.15 -1.82 0.08 -1.13 0.16 0.00 0.00 175.35 172.48 1mgs n SER 30 N 7.82 -2.37 -4.72 1.43 3.41 -1.26 -2.35 113.62 115.58 1mgs n SER 30 Ca -0.03 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1mgs n SER 30 Cb 0.46 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 1mgs n SER 30 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mgs s PRO 31 N -3.44 4.57 0.00 4.33 0.04 -1.26 -4.71 135.00 134.53 1mgs s PRO 31 Ca 0.55 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1mgs s PRO 31 Cb -0.14 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1mgs s PRO 31 CO 0.67 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 178.10 1mgs n GLY 32 N 2.72 5.49 0.00 0.56 0.00 -0.58 -4.87 105.19 108.51 1mgs n GLY 32 Ca 0.05 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.95 1mgs n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mgs n PRO 33 N 0.00 0.86 0.00 1.61 -0.04 -1.26 -2.92 135.00 133.25 1mgs n PRO 33 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mgs n PRO 33 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1mgs n PRO 33 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1mgs n HIS 34 N -0.61 0.00 -3.50 0.54 1.44 -1.26 -5.01 115.22 106.82 1mgs n HIS 34 Ca 0.05 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.76 1mgs n HIS 34 Cb 0.02 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.10 1mgs n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mgs n ALA 36 N 5.44 5.68 -3.64 0.00 0.00 -1.26 -1.53 120.51 125.20 1mgs n ALA 36 Ca -0.09 -1.82 -0.06 0.00 0.00 0.00 0.00 53.44 51.47 1mgs n ALA 36 Cb 0.50 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1mgs n ALA 36 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1mgs s GLN 37 N -0.65 0.31 0.47 0.00 -2.07 -1.26 -5.03 119.66 111.43 1mgs s GLN 37 Ca 0.44 0.38 -0.24 0.00 -1.82 0.00 0.00 55.36 54.12 1mgs s GLN 37 Cb 0.26 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 32.25 1mgs s GLN 37 CO -0.07 -0.04 1.28 2.41 -1.32 0.00 0.00 175.29 177.55 1mgs n THR 38 N 2.08 2.97 -3.95 3.63 -1.04 -1.26 -4.07 114.28 112.63 1mgs n THR 38 Ca -0.12 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.08 1mgs n THR 38 Cb 0.56 -1.57 -0.15 0.00 -1.82 0.00 0.00 70.33 67.35 1mgs n THR 38 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1mgs s GLU 39 N -2.43 1.59 0.06 -2.82 2.02 -0.99 -4.68 118.70 111.45 1mgs s GLU 39 Ca 0.65 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1mgs s GLU 39 Cb -0.47 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1mgs s GLU 39 CO 0.55 -0.68 0.20 0.08 0.02 0.00 0.00 175.26 175.43 1mgs s VAL 40 N 1.31 5.33 0.09 2.63 1.01 -1.25 -1.99 120.40 127.53 1mgs s VAL 40 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1mgs s VAL 40 Cb -0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1mgs s VAL 40 CO -0.08 0.14 -0.06 -0.63 0.00 0.00 0.00 175.10 174.46 1mgs s ILE 41 N -1.50 0.66 -0.06 2.22 1.09 -0.58 -1.79 121.20 121.24 1mgs s ILE 41 Ca 0.35 -1.90 -0.02 0.00 -1.10 0.00 0.00 60.65 57.97 1mgs s ILE 41 Cb -0.13 -1.64 0.04 0.00 -1.06 0.00 0.00 42.46 39.67 1mgs s ILE 41 CO 0.28 -0.86 0.11 0.00 -0.10 0.00 0.00 174.94 174.36 1mgs s ALA 42 N -3.57 0.01 -0.62 9.38 0.00 -0.70 -1.48 121.76 124.80 1mgs s ALA 42 Ca 0.11 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1mgs s ALA 42 Cb 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.58 1mgs s ALA 42 CO -0.05 -0.47 0.89 0.99 0.00 0.00 0.00 175.76 177.12 1mgs s THR 43 N 2.06 4.46 1.02 0.00 2.01 -0.58 -1.00 115.64 123.62 1mgs s THR 43 Ca 0.02 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 1mgs s THR 43 Cb -0.12 -4.60 -0.08 0.00 0.01 0.00 0.00 72.50 67.71 1mgs s THR 43 CO -0.04 -1.30 -0.69 0.18 -0.69 0.00 0.00 174.62 172.08 1mgs n LEU 44 N 7.31 -3.31 -0.25 4.42 4.77 0.25 0.12 117.00 130.30 1mgs n LEU 44 Ca -0.04 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1mgs n LEU 44 Cb 0.45 -0.79 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 1mgs n LEU 44 CO 0.62 -3.87 0.55 2.29 -1.33 0.00 0.00 177.39 175.66 1mgs n LYS 45 N 0.86 1.31 -0.40 3.23 0.00 -1.17 -3.29 118.16 118.70 1mgs n LYS 45 Ca -0.00 -0.49 0.08 0.00 -0.00 0.00 0.00 58.31 57.90 1mgs n LYS 45 Cb 0.64 -1.11 0.24 0.00 -0.00 0.00 0.00 35.03 34.80 1mgs n LYS 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1mgs n ASN 46 N -0.10 3.74 0.00 -5.58 6.94 -1.26 -4.91 115.26 114.08 1mgs n ASN 46 Ca 0.05 -2.70 0.00 0.00 -0.02 0.00 0.00 54.58 51.91 1mgs n ASN 46 Cb 0.12 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 1mgs n ASN 46 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mgs n GLY 47 N -0.09 0.45 3.77 4.83 0.00 -1.21 -5.04 105.19 107.90 1mgs n GLY 47 Ca 0.19 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1mgs n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mgs s ARG 48 N -1.56 2.32 0.06 1.61 0.52 -1.26 -4.95 118.95 115.69 1mgs s ARG 48 Ca 0.00 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 53.49 1mgs s ARG 48 Cb 0.00 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 1mgs s ARG 48 CO 0.00 -0.11 -0.07 0.15 0.02 0.00 0.00 175.30 175.29 1mgs s LYS 49 N -3.95 0.63 -0.17 3.54 1.02 -1.26 0.84 119.74 120.39 1mgs s LYS 49 Ca 0.42 -0.96 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 1mgs s LYS 49 Cb 0.01 -0.24 0.07 0.00 -0.52 0.00 0.00 37.83 37.16 1mgs s LYS 49 CO 0.24 0.02 0.36 0.00 -0.92 0.00 0.00 175.35 175.05 1mgs s ALA 50 N -2.21 -0.94 0.30 5.17 0.00 -0.17 -4.87 121.76 119.05 1mgs s ALA 50 Ca -0.02 1.33 -0.27 0.00 0.00 0.00 0.00 51.96 53.00 1mgs s ALA 50 Cb -0.04 -1.09 -0.10 0.00 0.00 0.00 0.00 23.12 21.89 1mgs s ALA 50 CO -0.02 -0.56 0.96 0.00 0.00 0.00 0.00 175.76 176.14 1mgs s LEU 52 N -1.84 2.57 -0.26 0.00 1.43 -0.74 -0.80 118.68 119.04 1mgs s LEU 52 Ca 0.48 -1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.17 1mgs s LEU 52 Cb -0.21 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1mgs s LEU 52 CO 0.27 -0.44 0.17 0.21 0.23 0.00 0.00 176.35 176.79 1mgs s ASN 53 N -3.57 6.00 0.01 2.29 3.84 -0.78 -3.88 114.94 118.84 1mgs s ASN 53 Ca 0.34 0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.66 1mgs s ASN 53 Cb 0.07 -2.10 0.94 0.00 -0.55 0.00 0.00 41.25 39.61 1mgs s ASN 53 CO 0.16 0.01 1.71 -0.81 -2.79 0.00 0.00 177.10 175.37 1mgs n PRO 54 N 4.68 0.01 0.11 0.43 -0.04 -1.26 -2.54 135.00 136.39 1mgs n PRO 54 Ca -0.15 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1mgs n PRO 54 Cb 0.52 -1.51 0.41 0.00 -0.04 0.00 0.00 33.50 32.88 1mgs n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mgs n ALA 55 N -1.51 2.23 -2.42 0.55 0.00 -1.26 -4.65 120.51 113.45 1mgs n ALA 55 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 1mgs n ALA 55 Cb 0.26 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 1mgs n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mgs s SER 56 N -4.51 6.29 0.13 0.00 1.04 -1.05 -5.00 113.70 110.60 1mgs s SER 56 Ca 0.10 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1mgs s SER 56 Cb 0.12 -2.17 -0.13 0.00 0.10 0.00 0.00 66.02 63.94 1mgs s SER 56 CO 0.58 -0.45 1.28 1.55 0.98 0.00 0.00 173.24 177.18 1mgs h PRO 57 N 0.52 0.22 -0.15 4.02 0.13 -1.87 -3.08 132.00 131.79 1mgs h PRO 57 Ca -0.48 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.32 1mgs h PRO 57 Cb 1.21 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1mgs h PRO 57 CO 0.62 1.06 -0.06 0.97 -0.23 0.00 0.00 178.00 180.36 1mgs h ILE 58 N 0.10 1.31 -0.29 -3.56 2.10 -1.92 -2.22 117.51 113.04 1mgs h ILE 58 Ca -0.07 -1.08 0.04 0.00 1.08 0.00 0.00 64.86 64.84 1mgs h ILE 58 Cb 1.69 1.70 -0.04 0.00 -1.09 0.00 0.00 36.82 39.08 1mgs h ILE 58 CO 0.16 0.32 0.04 0.58 -1.08 0.00 0.00 178.15 178.16 1mgs h VAL 59 N -0.01 0.84 -0.46 2.19 2.07 -1.71 0.20 116.25 119.36 1mgs h VAL 59 Ca 0.04 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1mgs h VAL 59 Cb 0.52 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1mgs h VAL 59 CO 0.02 0.02 0.32 0.11 0.02 0.00 0.00 177.57 178.07 1mgs h LYS 60 N 0.14 0.16 0.00 1.57 1.57 -1.47 0.27 116.57 118.81 1mgs h LYS 60 Ca 0.14 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 1mgs h LYS 60 Cb 0.16 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1mgs h LYS 60 CO -0.20 0.11 -0.72 0.87 -0.57 0.00 0.00 179.45 178.94 1mgs h LYS 61 N 0.17 0.00 -0.29 3.15 1.79 -0.07 -2.64 116.57 118.69 1mgs h LYS 61 Ca 0.22 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.59 1mgs h LYS 61 Cb 0.64 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1mgs h LYS 61 CO -0.03 0.72 -0.19 0.82 -1.08 0.00 0.00 179.45 179.69 1mgs h ILE 62 N 0.00 1.30 0.31 1.86 5.03 0.16 -1.01 117.51 125.17 1mgs h ILE 62 Ca -0.01 -1.31 -0.02 0.00 -0.12 0.00 0.00 64.86 63.41 1mgs h ILE 62 Cb 1.28 1.53 0.00 0.00 -3.03 0.00 0.00 36.82 36.60 1mgs h ILE 62 CO 0.09 0.42 -0.15 0.40 -0.68 0.00 0.00 178.15 178.23 1mgs h ILE 63 N 0.37 0.00 -0.89 -0.67 5.03 -1.30 -1.79 117.51 118.26 1mgs h ILE 63 Ca 0.06 -0.11 0.22 0.00 -0.12 0.00 0.00 64.86 64.91 1mgs h ILE 63 Cb 0.72 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.39 1mgs h ILE 63 CO 0.05 0.00 0.39 1.05 -0.68 0.00 0.00 178.15 178.96 1mgs h GLU 64 N -0.53 0.39 -0.28 2.37 -0.00 -1.58 0.15 114.58 115.10 1mgs h GLU 64 Ca -0.04 -0.02 0.05 0.00 -0.00 0.00 0.00 59.36 59.34 1mgs h GLU 64 Cb 0.32 -0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 28.94 1mgs h GLU 64 CO 0.07 0.26 -0.00 0.87 -0.00 0.00 0.00 179.01 180.21 1mgs h LYS 65 N 0.40 0.08 -0.50 1.06 1.79 -1.12 -1.75 116.57 116.53 1mgs h LYS 65 Ca 0.56 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.11 1mgs h LYS 65 Cb 1.05 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.61 1mgs h LYS 65 CO -0.53 0.05 0.10 1.98 -1.08 0.00 0.00 179.45 179.97 1mgs h MET 66 N 0.08 0.23 -0.57 3.15 4.05 0.19 -1.07 114.93 120.99 1mgs h MET 66 Ca 0.13 -0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.65 1mgs h MET 66 Cb 0.18 -0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 30.81 1mgs h MET 66 CO -0.23 0.15 -0.26 -0.07 0.23 0.00 0.00 176.91 176.73 1mgs h LEU 67 N 0.23 -0.91 -1.50 3.39 3.38 -0.77 0.51 115.31 119.65 1mgs h LEU 67 Ca 0.25 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.39 1mgs h LEU 67 Cb 0.34 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1mgs h LEU 67 CO -0.33 -0.27 -0.10 -1.13 0.09 0.00 0.00 178.44 176.71 1mgs h ASN 68 N -0.12 0.19 -1.33 -0.43 -0.73 -1.03 -2.44 115.58 109.70 1mgs h ASN 68 Ca 0.25 -0.03 0.41 0.00 1.87 0.00 0.00 56.30 58.80 1mgs h ASN 68 Cb 0.52 -0.05 -0.11 0.00 0.27 0.00 0.00 38.32 38.95 1mgs h ASN 68 CO -0.64 0.32 0.89 0.77 -0.37 0.00 0.00 177.43 178.39 1mgs h SER 69 N 0.20 0.22 0.45 1.15 4.64 0.13 0.67 113.55 121.01 1mgs h SER 69 Ca 0.04 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1mgs h SER 69 Cb 0.30 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1mgs h SER 69 CO 0.02 -0.09 -0.49 -0.78 -0.87 0.00 0.00 176.83 174.62 1mgs h ASP 70 N 0.12 -1.37 -1.76 4.97 3.58 -1.41 -3.44 116.42 117.11 1mgs h ASP 70 Ca 0.76 0.11 0.00 0.00 0.42 0.00 0.00 57.03 58.32 1mgs h ASP 70 Cb 2.48 0.46 0.00 0.00 1.72 0.00 0.00 39.33 43.98 1mgs h ASP 70 CO -0.30 -0.64 0.00 1.17 -2.88 0.00 0.00 179.24 176.59 1mgs n LYS 71 N -5.55 2.67 0.08 0.28 4.81 0.23 -5.08 118.16 115.60 1mgs n LYS 71 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1mgs n LYS 71 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1mgs n LYS 71 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mgs n SER 72 N -0.07 -1.37 0.00 3.14 2.88 -1.26 -4.94 113.62 112.00 1mgs n SER 72 Ca 0.00 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1mgs n SER 72 Cb 0.00 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.01 1mgs n SER 72 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40