#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgs n SER 2 N 0.00 -7.40 -3.15 0.00 2.88 -1.26 -5.02 113.62 99.67 1mgs n SER 2 Ca 0.00 -0.20 0.05 0.00 -1.33 0.00 0.00 58.87 57.39 1mgs n SER 2 Cb 0.00 -4.85 -0.01 0.00 -0.75 0.00 0.00 64.21 58.60 1mgs n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1mgs s VAL 3 N -3.01 -0.34 0.08 2.46 0.11 -1.26 -5.16 120.40 113.27 1mgs s VAL 3 Ca 0.01 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1mgs s VAL 3 Cb -0.00 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1mgs s VAL 3 CO 0.77 0.00 0.07 0.00 -3.33 0.00 0.00 175.10 172.61 1mgs s ALA 4 N 2.95 3.53 0.08 1.54 0.00 -1.26 -4.95 121.76 123.65 1mgs s ALA 4 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1mgs s ALA 4 Cb -0.08 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1mgs s ALA 4 CO -0.15 0.74 0.00 2.41 0.00 0.00 0.00 175.76 178.76 1mgs n THR 5 N 0.50 -2.18 -0.80 0.00 -1.04 -1.26 -5.10 114.28 104.39 1mgs n THR 5 Ca -0.09 0.59 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1mgs n THR 5 Cb 0.52 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1mgs n THR 5 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1mgs n GLU 6 N -0.24 1.77 -3.91 -2.82 0.28 -1.26 -5.12 120.64 109.34 1mgs n GLU 6 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1mgs n GLU 6 Cb 0.00 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.72 1mgs n GLU 6 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1mgs s LEU 7 N 0.00 3.39 0.17 -1.84 1.43 -1.26 -5.11 118.68 115.46 1mgs s LEU 7 Ca 0.00 -1.72 0.07 0.00 -1.03 0.00 0.00 54.13 51.44 1mgs s LEU 7 Cb 0.00 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1mgs s LEU 7 CO 0.00 -0.35 0.03 -0.13 0.23 0.00 0.00 176.35 176.13 1mgs s ARG 8 N 1.25 2.52 -0.90 1.70 0.52 -1.26 -4.52 118.95 118.26 1mgs s ARG 8 Ca 0.06 -1.04 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 1mgs s ARG 8 Cb -0.18 -2.43 -0.20 0.00 0.52 0.00 0.00 34.95 32.65 1mgs s ARG 8 CO -0.13 0.47 2.57 0.00 0.02 0.00 0.00 175.30 178.23 1mgs h GLN 10 N 13.31 0.00 -1.75 0.00 1.08 -1.94 -2.74 115.11 123.07 1mgs h GLN 10 Ca -0.07 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.65 1mgs h GLN 10 Cb 1.27 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.38 1mgs h GLN 10 CO 1.36 0.00 -0.90 0.00 -0.95 0.00 0.00 178.83 178.34 1mgs h LEU 12 N 4.75 -0.80 -8.01 0.00 7.12 -1.87 -3.25 115.31 113.25 1mgs h LEU 12 Ca 0.12 0.23 -0.71 0.00 0.13 0.00 0.00 57.88 57.65 1mgs h LEU 12 Cb 0.94 0.50 -0.30 0.00 -0.53 0.00 0.00 40.66 41.27 1mgs h LEU 12 CO 0.35 -0.26 -0.49 0.00 -0.13 0.00 0.00 178.44 177.91 1mgs s GLN 13 N -6.20 2.42 0.33 1.25 -2.07 -1.26 -5.08 119.66 109.06 1mgs s GLN 13 Ca -0.14 -1.59 -0.26 0.00 -1.82 0.00 0.00 55.36 51.55 1mgs s GLN 13 Cb 0.21 -3.71 -0.10 0.00 -1.09 0.00 0.00 33.01 28.32 1mgs s GLN 13 CO 0.74 -1.00 0.95 0.95 -1.32 0.00 0.00 175.29 175.61 1mgs s THR 14 N 1.33 4.22 0.42 3.63 -4.23 -1.23 -4.90 115.64 114.87 1mgs s THR 14 Ca 0.04 1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 62.26 1mgs s THR 14 Cb -0.23 -3.96 0.10 0.00 1.34 0.00 0.00 72.50 69.74 1mgs s THR 14 CO -0.00 0.10 0.54 0.18 -0.54 0.00 0.00 174.62 174.89 1mgs n LEU 15 N 0.43 0.00 0.08 4.79 4.77 -0.43 -4.58 117.00 122.06 1mgs n LEU 15 Ca 0.02 -0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 55.19 1mgs n LEU 15 Cb 0.50 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 1mgs n LEU 15 CO 0.44 -0.98 -0.44 1.56 -1.33 0.00 0.00 177.39 176.64 1mgs h GLN 16 N 0.00 0.40 0.00 3.23 1.08 -1.93 0.23 115.11 118.12 1mgs h GLN 16 Ca -0.18 -0.69 0.00 0.00 -1.45 0.00 0.00 58.65 56.34 1mgs h GLN 16 Cb 0.50 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1mgs h GLN 16 CO 0.12 1.33 0.00 0.41 -0.95 0.00 0.00 178.83 179.74 1mgs n GLY 17 N 1.81 -1.12 3.60 3.46 0.00 -1.26 -4.18 105.19 107.50 1mgs n GLY 17 Ca -0.23 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.57 0.00 0.65 -0.61 -5.25 -1.26 -5.04 121.20 107.11 1mgs s ILE 18 Ca 0.00 -0.16 -0.18 0.00 -0.99 0.00 0.00 60.65 59.32 1mgs s ILE 18 Cb 0.00 -1.40 -0.02 0.00 2.95 0.00 0.00 42.46 43.99 1mgs s ILE 18 CO 0.00 0.00 1.22 1.57 -1.79 0.00 0.00 174.94 175.94 1mgs n HIS 19 N -0.28 1.67 1.33 1.37 -0.00 -1.26 -4.86 115.22 113.19 1mgs n HIS 19 Ca -0.05 0.42 0.13 0.00 -0.00 0.00 0.00 57.72 58.22 1mgs n HIS 19 Cb 0.61 -2.23 0.69 0.00 -0.00 0.00 0.00 29.99 29.05 1mgs n HIS 19 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1mgs n PRO 20 N -1.77 0.47 0.06 1.57 -0.04 -1.26 -2.89 135.00 131.15 1mgs n PRO 20 Ca 0.16 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 1mgs n PRO 20 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1mgs n PRO 20 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mgs n LYS 21 N -1.22 0.62 0.14 0.54 5.02 -1.26 -3.83 118.16 118.17 1mgs n LYS 21 Ca 0.14 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 1mgs n LYS 21 Cb 0.18 -1.81 0.12 0.00 -0.02 0.00 0.00 35.03 33.50 1mgs n LYS 21 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1mgs h ASN 22 N 0.00 0.00 -4.08 4.39 2.35 -1.90 -3.45 115.58 112.89 1mgs h ASN 22 Ca -0.10 -0.03 -0.46 0.00 -0.55 0.00 0.00 56.30 55.16 1mgs h ASN 22 Cb 1.36 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.81 1mgs h ASN 22 CO 0.03 0.01 0.30 -0.63 -1.65 0.00 0.00 177.43 175.49 1mgs s ILE 23 N -3.26 2.37 0.00 2.81 1.01 -1.24 -1.44 121.20 121.45 1mgs s ILE 23 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1mgs s ILE 23 Cb 0.08 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1mgs s ILE 23 CO 0.72 -0.08 0.00 1.67 0.00 0.00 0.00 174.94 177.25 1mgs n GLN 24 N -3.03 0.00 -4.63 2.79 0.00 0.40 -3.94 117.38 108.97 1mgs n GLN 24 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.79 1mgs n GLN 24 Cb 0.60 -0.47 -0.08 0.00 0.00 0.00 0.00 30.24 30.29 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 -3.21 3.43 -0.29 1.69 1.04 -0.80 -4.88 113.70 110.68 1mgs s SER 25 Ca 0.00 -1.63 -0.01 0.00 0.48 0.00 0.00 55.95 54.79 1mgs s SER 25 Cb 0.00 0.43 0.13 0.00 0.10 0.00 0.00 66.02 66.68 1mgs s SER 25 CO 0.00 -0.85 0.29 -0.69 0.98 0.00 0.00 173.24 172.96 1mgs s VAL 26 N -3.04 -0.39 -0.39 5.02 1.01 -1.26 -2.21 120.40 119.14 1mgs s VAL 26 Ca 0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1mgs s VAL 26 Cb 0.03 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1mgs s VAL 26 CO 0.10 -0.47 0.29 0.21 0.00 0.00 0.00 175.10 175.22 1mgs s ASN 27 N 2.35 6.09 -0.32 3.32 3.04 -0.06 -4.90 114.94 124.47 1mgs s ASN 27 Ca 0.09 -0.80 0.03 0.00 0.04 0.00 0.00 52.86 52.23 1mgs s ASN 27 Cb -0.14 -2.15 0.09 0.00 -1.54 0.00 0.00 41.25 37.51 1mgs s ASN 27 CO -0.32 -0.40 0.02 -0.69 -3.04 0.00 0.00 177.10 172.66 1mgs s VAL 28 N 1.69 2.14 -0.29 -5.21 1.01 -1.26 0.45 120.40 118.92 1mgs s VAL 28 Ca 0.05 -2.11 -0.09 0.00 0.00 0.00 0.00 61.98 59.83 1mgs s VAL 28 Cb -0.19 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1mgs s VAL 28 CO 0.10 -0.48 0.14 -1.59 0.00 0.00 0.00 175.10 173.28 1mgs s LYS 29 N 1.00 3.50 1.21 2.72 -2.85 -0.90 -4.97 119.74 119.45 1mgs s LYS 29 Ca 0.06 -0.61 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 1mgs s LYS 29 Cb -0.19 -3.53 0.26 0.00 -2.06 0.00 0.00 37.83 32.30 1mgs s LYS 29 CO -0.08 -0.33 0.68 -1.13 0.10 0.00 0.00 175.35 174.58 1mgs n SER 30 N 4.99 -2.41 -4.82 0.03 3.41 -1.26 -2.65 113.62 110.90 1mgs n SER 30 Ca -0.14 -0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 57.84 1mgs n SER 30 Cb 0.50 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 -4.17 3.82 0.00 4.33 0.04 -1.26 -4.73 135.00 133.03 1mgs s PRO 31 Ca 0.64 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1mgs s PRO 31 Cb -0.19 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1mgs s PRO 31 CO 0.63 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1mgs n GLY 32 N -1.07 3.29 0.11 0.56 0.00 -0.24 -4.93 105.19 102.91 1mgs n GLY 32 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.91 0.00 1.61 -0.04 -1.26 -3.49 135.00 132.73 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 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.38 0.00 -3.68 0.54 1.44 -1.26 -5.03 115.22 106.84 1mgs n HIS 34 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 1mgs n HIS 34 Cb 0.05 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.00 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 5.16 5.38 -3.64 0.00 0.00 -1.26 -1.07 120.51 125.08 1mgs n ALA 36 Ca -0.07 -1.52 -0.08 0.00 0.00 0.00 0.00 53.44 51.78 1mgs n ALA 36 Cb 0.50 -1.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.61 0.42 0.38 0.00 -2.07 -1.26 -5.01 119.66 111.51 1mgs s GLN 37 Ca 0.37 0.51 -0.27 0.00 -1.82 0.00 0.00 55.36 54.15 1mgs s GLN 37 Cb 0.22 0.20 -0.11 0.00 -1.09 0.00 0.00 33.01 32.23 1mgs s GLN 37 CO -0.05 -0.05 1.26 2.41 -1.32 0.00 0.00 175.29 177.54 1mgs n THR 38 N 2.20 2.27 -3.90 3.63 -1.04 -1.26 -4.17 114.28 112.02 1mgs n THR 38 Ca -0.12 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.09 1mgs n THR 38 Cb 0.56 -1.54 -0.16 0.00 -1.82 0.00 0.00 70.33 67.38 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 -2.03 1.37 0.14 -2.82 2.02 -1.09 -4.82 118.70 111.48 1mgs s GLU 39 Ca 0.58 -1.03 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 1mgs s GLU 39 Cb -0.54 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 1mgs s GLU 39 CO 0.60 -0.69 0.39 0.08 0.02 0.00 0.00 175.26 175.65 1mgs s VAL 40 N 1.43 5.15 0.02 2.63 1.01 -1.25 -2.12 120.40 127.26 1mgs s VAL 40 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1mgs s VAL 40 Cb -0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1mgs s VAL 40 CO -0.09 0.07 0.04 -0.63 0.00 0.00 0.00 175.10 174.49 1mgs s ILE 41 N -1.63 0.11 -0.06 2.22 1.09 0.17 -2.13 121.20 120.97 1mgs s ILE 41 Ca 0.40 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 59.03 1mgs s ILE 41 Cb -0.12 -0.46 0.03 0.00 -1.06 0.00 0.00 42.46 40.84 1mgs s ILE 41 CO 0.23 -0.50 -0.01 0.00 -0.10 0.00 0.00 174.94 174.56 1mgs s ALA 42 N -1.71 0.69 -0.64 9.38 0.00 -0.86 -0.88 121.76 127.74 1mgs s ALA 42 Ca -0.13 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.51 1mgs s ALA 42 Cb -0.07 -0.64 0.08 0.00 0.00 0.00 0.00 23.12 22.48 1mgs s ALA 42 CO -0.01 -0.32 0.90 0.99 0.00 0.00 0.00 175.76 177.32 1mgs s THR 43 N 1.63 4.45 1.00 0.00 2.01 -0.94 -0.94 115.64 122.86 1mgs s THR 43 Ca -0.00 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1mgs s THR 43 Cb -0.13 -4.63 -0.12 0.00 0.01 0.00 0.00 72.50 67.63 1mgs s THR 43 CO -0.04 -1.36 -0.86 0.18 -0.69 0.00 0.00 174.62 171.85 1mgs n LEU 44 N 7.35 -4.07 -0.19 4.42 4.77 0.38 0.15 117.00 129.81 1mgs n LEU 44 Ca -0.05 0.11 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1mgs n LEU 44 Cb 0.45 -0.74 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1mgs n LEU 44 CO 0.63 -4.35 0.55 2.29 -1.33 0.00 0.00 177.39 175.18 1mgs n LYS 45 N 1.64 1.24 -0.32 3.23 2.85 -0.52 -3.24 118.16 123.04 1mgs n LYS 45 Ca -0.01 -0.38 0.09 0.00 -1.05 0.00 0.00 58.31 56.96 1mgs n LYS 45 Cb 0.63 -1.09 0.22 0.00 -0.65 0.00 0.00 35.03 34.14 1mgs n LYS 45 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1mgs n ASN 46 N -0.20 3.36 0.00 -5.58 6.94 -1.26 -4.92 115.26 113.60 1mgs n ASN 46 Ca 0.04 -3.00 0.00 0.00 -0.02 0.00 0.00 54.58 51.60 1mgs n ASN 46 Cb 0.09 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.77 2.88 3.84 4.83 0.00 -1.20 -5.02 105.19 109.76 1mgs n GLY 47 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.38 2.69 -0.09 1.61 0.52 -1.26 -4.82 118.95 117.22 1mgs s ARG 48 Ca 0.00 0.65 -0.04 0.00 -0.52 0.00 0.00 55.73 55.83 1mgs s ARG 48 Cb 0.00 -1.99 0.05 0.00 0.52 0.00 0.00 34.95 33.53 1mgs s ARG 48 CO 0.00 -1.19 0.17 0.15 0.02 0.00 0.00 175.30 174.45 1mgs s LYS 49 N -5.21 0.07 -0.14 3.54 3.01 -1.26 0.15 119.74 119.90 1mgs s LYS 49 Ca 0.59 0.54 0.01 0.00 -1.01 0.00 0.00 55.97 56.10 1mgs s LYS 49 Cb -0.13 -0.22 -0.01 0.00 -1.01 0.00 0.00 37.83 36.47 1mgs s LYS 49 CO 0.54 -0.27 -0.16 0.00 0.51 0.00 0.00 175.35 175.97 1mgs s ALA 50 N 2.02 2.48 0.54 5.17 0.00 -0.12 -4.91 121.76 126.94 1mgs s ALA 50 Ca -0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 1mgs s ALA 50 Cb -0.12 -1.14 -0.07 0.00 0.00 0.00 0.00 23.12 21.79 1mgs s ALA 50 CO -0.06 0.13 1.00 0.00 0.00 0.00 0.00 175.76 176.82 1mgs s LEU 52 N -4.27 1.60 -0.19 0.00 1.43 -0.90 -1.31 118.68 115.03 1mgs s LEU 52 Ca 0.59 -1.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1mgs s LEU 52 Cb -0.10 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1mgs s LEU 52 CO 0.35 -0.78 0.04 0.54 0.23 0.00 0.00 176.35 176.74 1mgs s ASN 53 N -3.31 5.34 0.00 2.29 4.22 0.07 -3.80 114.94 119.75 1mgs s ASN 53 Ca 0.37 -0.03 0.23 0.00 -2.14 0.00 0.00 52.86 51.29 1mgs s ASN 53 Cb 0.07 -1.92 1.20 0.00 1.28 0.00 0.00 41.25 41.89 1mgs s ASN 53 CO 0.14 0.12 1.76 -0.81 -2.04 0.00 0.00 177.10 176.27 1mgs n PRO 54 N 3.86 0.40 0.21 3.55 -0.04 -1.26 -2.63 135.00 139.10 1mgs n PRO 54 Ca -0.17 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1mgs n PRO 54 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 1mgs n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mgs h ALA 55 N 3.16 1.00 -2.29 0.55 0.00 -1.96 -3.43 119.26 116.29 1mgs h ALA 55 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1mgs h ALA 55 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1mgs h ALA 55 CO 0.00 0.00 -0.01 0.45 0.00 0.00 0.00 179.25 179.69 1mgs s SER 56 N -5.90 6.30 0.16 0.00 0.15 -1.08 -5.00 113.70 108.33 1mgs s SER 56 Ca 0.06 0.75 0.03 0.00 0.70 0.00 0.00 55.95 57.50 1mgs s SER 56 Cb 0.07 -2.17 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 1mgs s SER 56 CO 0.64 -0.44 1.35 1.55 1.20 0.00 0.00 173.24 177.54 1mgs h PRO 57 N 0.56 0.15 -0.22 5.44 0.13 -1.88 -3.08 132.00 133.11 1mgs h PRO 57 Ca -0.48 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.38 1mgs h PRO 57 Cb 1.21 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1mgs h PRO 57 CO 0.62 0.96 -0.19 0.97 -0.23 0.00 0.00 178.00 180.13 1mgs h ILE 58 N 0.08 1.32 -0.38 -3.56 -0.00 -1.92 -2.07 117.51 110.98 1mgs h ILE 58 Ca -0.04 -1.34 0.03 0.00 -0.00 0.00 0.00 64.86 63.51 1mgs h ILE 58 Cb 1.57 1.71 -0.03 0.00 -0.00 0.00 0.00 36.82 40.07 1mgs h ILE 58 CO 0.14 0.41 0.18 0.58 -0.00 0.00 0.00 178.15 179.46 1mgs h VAL 59 N 0.20 0.97 -0.05 2.19 2.07 -1.72 0.20 116.25 120.11 1mgs h VAL 59 Ca 0.04 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1mgs h VAL 59 Cb 0.73 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1mgs h VAL 59 CO 0.05 0.07 0.01 0.11 0.02 0.00 0.00 177.57 177.82 1mgs h LYS 60 N 0.38 0.06 0.00 1.57 1.57 -1.48 0.14 116.57 118.81 1mgs h LYS 60 Ca 0.16 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1mgs h LYS 60 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1mgs h LYS 60 CO -0.12 0.07 -0.30 0.87 -0.57 0.00 0.00 179.45 179.40 1mgs h LYS 61 N 0.07 0.00 -0.21 3.15 1.79 -0.18 -2.80 116.57 118.38 1mgs h LYS 61 Ca 0.02 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.32 1mgs h LYS 61 Cb 0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1mgs h LYS 61 CO -0.00 0.30 -0.56 0.82 -1.08 0.00 0.00 179.45 178.92 1mgs h ILE 62 N 0.00 1.31 0.28 1.86 2.04 0.21 -0.57 117.51 122.65 1mgs h ILE 62 Ca -0.00 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1mgs h ILE 62 Cb 1.06 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1mgs h ILE 62 CO 0.04 0.57 -0.14 0.40 0.00 0.00 0.00 178.15 179.02 1mgs h ILE 63 N 0.48 0.28 0.17 -0.67 5.03 -1.36 -2.68 117.51 118.77 1mgs h ILE 63 Ca 0.01 -0.83 -0.00 0.00 -0.12 0.00 0.00 64.86 63.92 1mgs h ILE 63 Cb 1.13 0.48 -0.00 0.00 -3.03 0.00 0.00 36.82 35.39 1mgs h ILE 63 CO 0.11 0.07 -0.12 1.05 -0.68 0.00 0.00 178.15 178.59 1mgs h GLU 64 N -1.04 -0.28 -0.60 2.37 4.11 -1.59 -2.52 114.58 115.03 1mgs h GLU 64 Ca -0.04 0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.52 1mgs h GLU 64 Cb 0.41 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.61 1mgs h GLU 64 CO 0.06 -0.18 -0.26 0.87 0.07 0.00 0.00 179.01 179.56 1mgs h LYS 65 N -0.29 -0.10 -0.70 1.06 1.57 -1.22 0.32 116.57 117.21 1mgs h LYS 65 Ca -0.01 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1mgs h LYS 65 Cb 0.25 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.47 1mgs h LYS 65 CO 0.01 -0.07 0.13 1.98 -0.57 0.00 0.00 179.45 180.93 1mgs h MET 66 N -0.11 0.22 -0.64 3.15 4.05 -1.11 0.10 114.93 120.60 1mgs h MET 66 Ca 0.26 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.79 1mgs h MET 66 Cb 0.53 -0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 31.15 1mgs h MET 66 CO -0.67 0.15 -0.26 -0.07 0.23 0.00 0.00 176.91 176.29 1mgs h LEU 67 N 0.23 -0.91 -1.26 3.39 3.38 0.05 0.54 115.31 120.74 1mgs h LEU 67 Ca 0.39 0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.52 1mgs h LEU 67 Cb 0.65 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1mgs h LEU 67 CO -0.51 -0.27 -0.07 -1.13 0.09 0.00 0.00 178.44 176.55 1mgs h ASN 68 N -0.08 0.39 -1.25 -0.43 -1.24 -0.81 -2.37 115.58 109.79 1mgs h ASN 68 Ca 0.28 -0.08 0.36 0.00 0.71 0.00 0.00 56.30 57.57 1mgs h ASN 68 Cb 0.53 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 1mgs h ASN 68 CO -0.70 0.51 1.07 0.77 -1.29 0.00 0.00 177.43 177.79 1mgs h SER 69 N 0.40 0.00 -2.30 1.15 4.64 0.12 0.19 113.55 117.74 1mgs h SER 69 Ca 0.08 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.74 1mgs h SER 69 Cb 0.38 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.09 1mgs h SER 69 CO 0.02 0.00 -0.12 -0.90 -0.87 0.00 0.00 176.83 174.95 1mgs n ASP 70 N -3.75 5.25 0.00 4.97 5.68 -0.89 -4.87 116.55 122.94 1mgs n ASP 70 Ca 0.28 -3.64 0.00 0.00 -0.50 0.00 0.00 54.79 50.92 1mgs n ASP 70 Cb 1.46 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 1mgs n ASP 70 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1mgs n LYS 71 N 0.03 0.00 -4.25 0.11 4.81 0.05 -4.94 118.16 113.98 1mgs n LYS 71 Ca 0.35 0.42 -0.26 0.00 -0.87 0.00 0.00 58.31 57.95 1mgs n LYS 71 Cb 0.36 -0.95 -0.08 0.00 0.02 0.00 0.00 35.03 34.37 1mgs n LYS 71 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1mgs s SER 72 N -2.66 4.57 0.00 3.14 0.01 -1.26 -5.15 113.70 112.36 1mgs s SER 72 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1mgs s SER 72 Cb 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1mgs s SER 72 CO 0.00 0.08 0.48 -3.20 0.41 0.00 0.00 173.24 171.01