#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m h SER 2 N 0.00 0.00 -5.42 2.55 4.64 -2.04 -3.46 113.55 109.82 1k9m h SER 2 Ca 0.00 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1k9m h SER 2 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1k9m h SER 2 CO 0.00 0.00 -0.45 -0.94 -0.87 0.00 0.00 176.83 174.57 1k9m s SER 3 N -4.87 0.09 -0.31 4.97 1.04 -1.26 -5.10 113.70 108.26 1k9m s SER 3 Ca 0.10 -1.16 0.16 0.00 0.48 0.00 0.00 55.95 55.53 1k9m s SER 3 Cb 0.11 0.43 0.47 0.00 0.10 0.00 0.00 66.02 67.13 1k9m s SER 3 CO 0.61 -0.91 1.07 -3.20 0.98 0.00 0.00 173.24 171.79 1k9m n ASN 4 N -0.26 2.57 -4.92 7.02 5.15 -1.26 -4.95 115.26 118.62 1k9m n ASN 4 Ca -0.02 -2.80 -0.27 0.00 -0.60 0.00 0.00 54.58 50.89 1k9m n ASN 4 Cb 0.64 -0.47 0.02 0.00 -0.53 0.00 0.00 39.78 39.44 1k9m n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k9m s GLY 5 N -3.50 1.59 0.29 8.20 0.00 -1.26 -4.98 107.32 107.66 1k9m s GLY 5 Ca 0.34 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1k9m s GLY 5 CO -0.02 -0.42 1.80 -2.55 0.00 0.00 0.00 173.10 171.91 1k9m h PRO 6 N -0.08 0.84 -0.07 2.90 0.11 -2.05 -1.97 132.00 131.69 1k9m h PRO 6 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1k9m h PRO 6 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1k9m h PRO 6 CO 0.61 0.55 0.00 1.28 -0.21 0.00 0.00 178.00 180.23 1k9m n LEU 7 N -4.71 0.61 -4.70 2.35 4.77 -1.26 -4.68 117.00 109.38 1k9m n LEU 7 Ca 0.21 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1k9m n LEU 7 Cb 0.46 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1k9m n LEU 7 CO 0.24 0.13 1.44 -0.70 -1.33 0.00 0.00 177.39 177.17 1k9m s GLU 8 N -1.92 4.13 -1.00 3.23 -6.30 -0.74 -2.06 118.70 114.04 1k9m s GLU 8 Ca 0.27 2.62 -0.01 0.00 -2.50 0.00 0.00 54.97 55.35 1k9m s GLU 8 Cb 0.13 -3.39 0.00 0.00 0.00 0.00 0.00 34.13 30.88 1k9m s GLU 8 CO 0.21 -0.81 0.14 0.41 0.02 0.00 0.00 175.26 175.23 1k9m n GLY 9 N 4.15 -0.10 0.39 -1.50 0.00 -1.26 -4.92 105.19 101.95 1k9m n GLY 9 Ca 0.17 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.91 1k9m n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k9m n THR 10 N -4.00 0.42 -0.26 2.61 -2.24 -0.87 -4.72 114.28 105.21 1k9m n THR 10 Ca -0.12 -0.71 -0.01 0.00 -2.27 0.00 0.00 64.05 60.95 1k9m n THR 10 Cb 0.60 0.89 0.06 0.00 -2.10 0.00 0.00 70.33 69.77 1k9m n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1k9m h ARG 11 N 1.55 -0.05 0.20 -0.78 2.43 -1.91 -1.86 114.38 113.96 1k9m h ARG 11 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1k9m h ARG 11 Cb 0.48 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1k9m h ARG 11 CO 0.00 -0.03 -0.10 0.78 -1.51 0.00 0.00 179.97 179.11 1k9m h GLY 12 N -0.05 -0.28 1.42 2.80 0.00 -1.94 -3.25 103.07 101.76 1k9m h GLY 12 Ca 0.32 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1k9m h GLY 12 CO -0.78 -0.10 0.29 0.07 0.00 0.00 0.00 176.54 176.02 1k9m h LYS 13 N -0.31 0.00 -0.20 4.80 2.10 -1.85 -1.98 116.57 119.13 1k9m h LYS 13 Ca -0.03 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1k9m h LYS 13 Cb 0.20 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.50 1k9m h LYS 13 CO 0.04 0.00 -0.11 1.28 -2.00 0.00 0.00 179.45 178.67 1k9m n LEU 14 N -2.85 3.45 -4.24 7.07 4.77 -0.71 -4.86 117.00 119.64 1k9m n LEU 14 Ca -0.02 -3.44 -0.25 0.00 -0.03 0.00 0.00 56.01 52.27 1k9m n LEU 14 Cb 0.33 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 1k9m n LEU 14 CO 0.14 1.00 -0.51 -0.75 -1.33 0.00 0.00 177.39 175.94 1k9m s LYS 15 N -3.05 1.30 0.21 3.23 2.20 -0.75 -4.72 119.74 118.16 1k9m s LYS 15 Ca 0.40 -0.95 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1k9m s LYS 15 Cb 0.36 -1.42 -0.06 0.00 -1.51 0.00 0.00 37.83 35.20 1k9m s LYS 15 CO 0.02 0.36 0.48 -0.80 -0.36 0.00 0.00 175.35 175.04 1k9m s ASN 16 N -1.27 6.51 0.44 1.43 0.02 -1.26 -4.93 114.94 115.88 1k9m s ASN 16 Ca 0.07 0.71 -0.23 0.00 -1.02 0.00 0.00 52.86 52.38 1k9m s ASN 16 Cb -0.09 -2.14 -0.08 0.00 0.02 0.00 0.00 41.25 38.96 1k9m s ASN 16 CO 0.02 -0.06 1.15 -0.54 0.02 0.00 0.00 177.10 177.69 1k9m s LYS 17 N -3.00 3.86 0.41 -0.60 3.01 -1.26 -4.87 119.74 117.28 1k9m s LYS 17 Ca 0.44 1.76 0.28 0.00 -1.01 0.00 0.00 55.97 57.43 1k9m s LYS 17 Cb -0.11 -2.47 1.42 0.00 -1.01 0.00 0.00 37.83 35.66 1k9m s LYS 17 CO 0.25 -0.46 1.59 -1.35 0.51 0.00 0.00 175.35 175.89 1k9m h PRO 18 N 2.21 0.03 0.00 -1.68 0.11 -1.99 -0.59 132.00 130.09 1k9m h PRO 18 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1k9m h PRO 18 Cb 1.24 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1k9m h PRO 18 CO 0.61 0.02 -0.26 0.00 -0.21 0.00 0.00 178.00 178.16 1k9m h ARG 19 N 0.03 0.00 -0.52 1.05 3.08 -2.05 -3.11 114.38 112.86 1k9m h ARG 19 Ca 0.86 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.91 1k9m h ARG 19 Cb 2.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.61 1k9m h ARG 19 CO -0.57 0.26 0.00 -0.25 -1.07 0.00 0.00 179.97 178.34 1k9m n ASP 20 N -3.18 2.77 -4.76 7.04 8.00 -0.24 -4.92 116.55 121.26 1k9m n ASP 20 Ca 0.03 -2.04 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 1k9m n ASP 20 Cb 0.61 -0.35 0.04 0.00 -0.02 0.00 0.00 41.12 41.41 1k9m n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1k9m s ARG 21 N -1.38 2.82 0.00 -1.24 3.00 -1.18 -4.88 118.95 116.08 1k9m s ARG 21 Ca 0.34 1.61 0.00 0.00 -1.00 0.00 0.00 55.73 56.68 1k9m s ARG 21 Cb 0.18 -1.93 0.00 0.00 0.00 0.00 0.00 34.95 33.20 1k9m s ARG 21 CO 0.22 -1.28 0.00 0.41 0.00 0.00 0.00 175.30 174.65 1k9m n GLY 22 N 0.04 0.95 3.23 8.12 0.00 -1.26 -4.98 105.19 111.28 1k9m n GLY 22 Ca 0.12 -1.78 -0.48 0.00 0.00 0.00 0.00 46.02 43.88 1k9m n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9m n THR 23 N 0.94 1.30 -2.77 2.61 -1.04 -1.26 -4.85 114.28 109.21 1k9m n THR 23 Ca 0.00 -0.33 -0.25 0.00 -2.04 0.00 0.00 64.05 61.43 1k9m n THR 23 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1k9m n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1k9m s SER 24 N -0.65 5.90 0.39 8.00 0.01 -1.26 -5.04 113.70 121.05 1k9m s SER 24 Ca 0.68 0.57 -0.27 0.00 1.31 0.00 0.00 55.95 58.24 1k9m s SER 24 Cb -0.97 -1.79 -0.09 0.00 0.21 0.00 0.00 66.02 63.37 1k9m s SER 24 CO 0.53 -0.74 1.35 -2.84 0.41 0.00 0.00 173.24 171.95 1k9m s PRO 25 N -4.70 4.06 0.36 12.44 0.02 -1.26 -4.93 135.00 140.99 1k9m s PRO 25 Ca 0.49 2.28 0.17 0.00 0.02 0.00 0.00 61.00 63.96 1k9m s PRO 25 Cb -0.10 -2.87 0.64 0.00 0.02 0.00 0.00 34.50 32.20 1k9m s PRO 25 CO 0.41 -0.46 1.73 -1.35 -0.33 0.00 0.00 177.00 177.00 1k9m h PRO 26 N 2.88 0.00 -0.67 5.54 0.11 -2.00 -3.33 132.00 134.53 1k9m h PRO 26 Ca -0.50 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.75 1k9m h PRO 26 Cb 1.24 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 1k9m h PRO 26 CO 0.63 0.41 -0.15 0.37 -0.21 0.00 0.00 178.00 179.06 1k9m h GLN 27 N 0.00 0.01 0.00 1.05 5.75 -1.99 0.32 115.11 120.24 1k9m h GLN 27 Ca -0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1k9m h GLN 27 Cb 0.90 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.45 1k9m h GLN 27 CO 0.05 0.01 0.00 2.89 -2.65 0.00 0.00 178.83 179.13 1k9m n ARG 28 N -5.43 0.06 0.02 1.69 1.85 -1.25 -2.37 116.66 111.22 1k9m n ARG 28 Ca 0.09 0.04 0.12 0.00 -1.00 0.00 0.00 57.85 57.10 1k9m n ARG 28 Cb 0.35 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.48 1k9m n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k9m n ALA 29 N -1.47 3.30 0.48 2.89 0.00 0.05 -3.39 120.51 122.38 1k9m n ALA 29 Ca 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1k9m n ALA 29 Cb 0.30 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1k9m n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k9m n VAL 30 N -1.74 0.00 -1.39 0.00 0.31 -0.92 -4.33 118.33 110.27 1k9m n VAL 30 Ca 0.04 -0.26 -0.43 0.00 -0.01 0.00 0.00 64.34 63.68 1k9m n VAL 30 Cb 0.38 1.01 -0.00 0.00 -0.91 0.00 0.00 33.84 34.31 1k9m n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1k9m n GLU 31 N -1.19 0.28 -4.89 5.55 4.07 -1.00 -4.96 120.64 118.49 1k9m n GLU 31 Ca 0.02 0.10 -0.33 0.00 -0.06 0.00 0.00 57.16 56.90 1k9m n GLU 31 Cb 0.16 -1.24 -0.14 0.00 -0.06 0.00 0.00 31.44 30.16 1k9m n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1k9m s GLU 32 N -1.26 3.06 0.12 5.31 0.41 -1.26 -4.80 118.70 120.28 1k9m s GLU 32 Ca 0.62 -0.73 0.10 0.00 -0.41 0.00 0.00 54.97 54.55 1k9m s GLU 32 Cb -0.67 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 1k9m s GLU 32 CO 0.60 0.33 -0.24 -0.06 -0.49 0.00 0.00 175.26 175.40 1k9m s PHE 33 N 0.03 2.40 0.08 1.61 0.40 -1.26 -5.13 117.98 116.11 1k9m s PHE 33 Ca -0.05 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1k9m s PHE 33 Cb -0.15 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1k9m s PHE 33 CO 0.05 0.35 0.19 -0.51 0.70 0.00 0.00 175.22 176.00 1k9m s ASP 34 N -2.05 6.17 0.09 1.36 1.01 -1.26 -5.04 116.67 116.95 1k9m s ASP 34 Ca 0.15 0.19 -0.32 0.00 0.71 0.00 0.00 52.55 53.28 1k9m s ASP 34 Cb -0.10 -1.84 -0.11 0.00 1.01 0.00 0.00 42.92 41.87 1k9m s ASP 34 CO 0.07 0.15 1.81 0.47 0.21 0.00 0.00 175.17 177.89 1k9m n ASP 35 N 0.17 3.82 0.00 0.27 8.00 -1.26 -1.36 116.55 126.19 1k9m n ASP 35 Ca -0.06 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.43 1k9m n ASP 35 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1k9m n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9m n GLY 36 N 4.16 2.75 3.77 0.44 0.00 0.11 -4.97 105.19 111.44 1k9m n GLY 36 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1k9m n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k9m s GLU 37 N -0.44 3.95 -0.03 1.61 2.02 -0.46 -4.72 118.70 120.62 1k9m s GLU 37 Ca 0.00 1.86 -0.20 0.00 0.02 0.00 0.00 54.97 56.65 1k9m s GLU 37 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1k9m s GLU 37 CO 0.00 -0.42 0.57 0.15 0.02 0.00 0.00 175.26 175.58 1k9m s LYS 38 N -2.41 4.30 -0.01 1.61 -0.14 -1.26 -1.53 119.74 120.30 1k9m s LYS 38 Ca 0.59 0.67 0.01 0.00 -1.36 0.00 0.00 55.97 55.88 1k9m s LYS 38 Cb -0.31 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.49 1k9m s LYS 38 CO 0.39 0.33 -0.03 0.14 -0.76 0.00 0.00 175.35 175.41 1k9m s VAL 39 N -0.02 0.31 0.00 3.17 -7.23 -0.57 -1.50 120.40 114.57 1k9m s VAL 39 Ca 0.30 -0.12 -0.23 0.00 -1.81 0.00 0.00 61.98 60.12 1k9m s VAL 39 Cb -0.17 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.42 1k9m s VAL 39 CO 0.16 0.11 0.70 -1.00 -0.31 0.00 0.00 175.10 174.76 1k9m s HIS 40 N 0.21 3.68 -0.20 2.82 3.76 -0.02 -1.45 115.29 124.09 1k9m s HIS 40 Ca -0.02 1.34 -0.15 0.00 -0.15 0.00 0.00 55.06 56.08 1k9m s HIS 40 Cb -0.05 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 1k9m s HIS 40 CO -0.00 0.25 0.36 -0.51 -0.85 0.00 0.00 174.74 173.98 1k9m s LEU 41 N 0.12 4.15 -0.27 0.89 1.02 0.08 -2.13 118.68 122.55 1k9m s LEU 41 Ca 0.36 0.46 -0.04 0.00 0.02 0.00 0.00 54.13 54.93 1k9m s LEU 41 Cb -0.19 -2.45 0.15 0.00 0.02 0.00 0.00 46.19 43.72 1k9m s LEU 41 CO 0.20 -0.05 0.52 -0.75 0.02 0.00 0.00 176.35 176.30 1k9m s LYS 42 N 1.23 0.47 0.40 1.70 2.47 -0.83 -0.62 119.74 124.56 1k9m s LYS 42 Ca 0.17 0.99 -0.26 0.00 -1.56 0.00 0.00 55.97 55.31 1k9m s LYS 42 Cb -0.14 0.32 -0.09 0.00 -1.46 0.00 0.00 37.83 36.46 1k9m s LYS 42 CO 0.07 -0.47 1.32 0.42 0.16 0.00 0.00 175.35 176.85 1k9m s ILE 43 N 2.75 2.58 -0.33 5.43 1.01 -1.26 -4.49 121.20 126.88 1k9m s ILE 43 Ca 0.09 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 1k9m s ILE 43 Cb -0.14 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 1k9m s ILE 43 CO -0.18 0.09 0.40 -0.62 0.00 0.00 0.00 174.94 174.63 1k9m s ASP 44 N -0.66 6.22 0.34 3.58 -1.08 -1.26 -4.95 116.67 118.86 1k9m s ASP 44 Ca 0.56 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 52.60 1k9m s ASP 44 Cb -0.39 -2.21 0.80 0.00 -1.46 0.00 0.00 42.92 39.66 1k9m s ASP 44 CO 0.50 -0.33 1.83 -0.65 0.52 0.00 0.00 175.17 177.04 1k9m h PRO 45 N 8.40 0.69 0.00 4.34 0.11 -1.89 -1.72 132.00 141.93 1k9m h PRO 45 Ca -0.30 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 1k9m h PRO 45 Cb 1.14 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1k9m h PRO 45 CO 0.70 0.46 -0.13 0.77 -0.21 0.00 0.00 178.00 179.58 1k9m h SER 46 N 0.71 0.00 -3.18 -2.05 0.02 -1.91 -3.42 113.55 103.72 1k9m h SER 46 Ca 0.51 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.71 1k9m h SER 46 Cb 0.84 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.12 1k9m h SER 46 CO -0.27 0.13 -0.29 -0.69 -1.14 0.00 0.00 176.83 174.58 1k9m s VAL 47 N -3.56 4.85 0.14 2.27 1.01 -0.65 -4.80 120.40 119.66 1k9m s VAL 47 Ca 0.02 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.20 1k9m s VAL 47 Cb 0.09 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1k9m s VAL 47 CO 0.61 -0.81 1.64 -0.65 0.00 0.00 0.00 175.10 175.89 1k9m h PRO 48 N 8.72 -0.24 -7.69 2.72 0.11 -1.81 -3.43 132.00 130.38 1k9m h PRO 48 Ca -0.27 0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.41 1k9m h PRO 48 Cb 1.09 0.05 0.15 0.00 0.11 0.00 0.00 31.00 32.40 1k9m h PRO 48 CO 0.96 -0.16 0.37 -0.80 -0.21 0.00 0.00 178.00 178.16 1k9m s ASN 49 N -5.02 3.38 -2.12 -2.05 0.01 -1.26 -4.38 114.94 103.50 1k9m s ASN 49 Ca -0.15 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1k9m s ASN 49 Cb 0.11 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1k9m s ASN 49 CO 0.68 -2.55 0.00 0.61 -1.51 0.00 0.00 177.10 174.33 1k9m n GLY 50 N -3.59 1.73 3.89 0.66 0.00 -1.26 -4.90 105.19 101.73 1k9m n GLY 50 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1k9m n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9m s ARG 51 N -3.83 2.48 0.35 1.61 0.52 -1.26 -2.29 118.95 116.52 1k9m s ARG 51 Ca 0.00 0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 1k9m s ARG 51 Cb 0.00 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1k9m s ARG 51 CO 0.00 -1.26 0.09 -0.59 0.02 0.00 0.00 175.30 173.56 1k9m s PHE 52 N -3.43 1.84 -0.09 -0.53 -0.12 -1.26 -4.79 117.98 109.60 1k9m s PHE 52 Ca 0.60 -1.11 -0.29 0.00 -0.05 0.00 0.00 56.93 56.07 1k9m s PHE 52 Cb -0.11 -1.19 -0.05 0.00 -0.63 0.00 0.00 43.02 41.04 1k9m s PHE 52 CO 0.50 -0.15 1.64 -1.58 -0.05 0.00 0.00 175.22 175.58 1k9m s HIS 53 N -3.32 2.03 0.52 3.49 5.65 -1.26 -4.83 115.29 117.56 1k9m s HIS 53 Ca 0.32 0.30 0.09 0.00 0.25 0.00 0.00 55.06 56.01 1k9m s HIS 53 Cb 0.06 -3.90 0.31 0.00 -1.18 0.00 0.00 32.58 27.87 1k9m s HIS 53 CO 0.15 -3.60 0.91 -2.30 -0.65 0.00 0.00 174.74 169.25 1k9m n PRO 54 N 7.21 0.02 0.25 2.88 -0.02 -1.26 -0.19 135.00 143.89 1k9m n PRO 54 Ca 0.18 0.80 0.17 0.00 -2.02 0.00 0.00 63.50 62.62 1k9m n PRO 54 Cb 0.43 -2.08 0.74 0.00 -0.02 0.00 0.00 33.50 32.58 1k9m n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k9m h ARG 55 N 0.00 0.00 -0.00 -0.52 3.08 -1.88 -2.78 114.38 112.27 1k9m h ARG 55 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1k9m h ARG 55 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1k9m h ARG 55 CO -0.00 0.00 -0.55 1.19 -1.07 0.00 0.00 179.97 179.54 1k9m n PHE 56 N -2.86 0.00 -1.62 3.04 3.72 0.74 -4.91 117.46 115.56 1k9m n PHE 56 Ca 0.00 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 56.88 1k9m n PHE 56 Cb 0.23 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1k9m n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1k9m n ASP 57 N -1.01 2.01 0.00 4.37 2.03 -1.05 -0.95 116.55 121.95 1k9m n ASP 57 Ca 0.08 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.49 1k9m n ASP 57 Cb 0.36 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1k9m n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k9m n GLY 58 N 2.98 0.32 3.81 0.27 0.00 0.21 -5.02 105.19 107.77 1k9m n GLY 58 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1k9m n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k9m s GLN 59 N -0.97 3.54 -0.31 1.61 -1.52 -0.13 -4.82 119.66 117.06 1k9m s GLN 59 Ca 0.00 1.17 -0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1k9m s GLN 59 Cb 0.00 -2.07 0.10 0.00 -0.22 0.00 0.00 33.01 30.82 1k9m s GLN 59 CO 0.00 -0.63 0.08 0.99 -0.25 0.00 0.00 175.29 175.48 1k9m s THR 60 N -2.42 1.06 0.00 -0.19 2.01 -1.26 -0.74 115.64 114.10 1k9m s THR 60 Ca 0.63 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1k9m s THR 60 Cb -0.15 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.59 1k9m s THR 60 CO 0.33 -0.62 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 1k9m n GLY 61 N 4.78 2.57 3.09 4.40 0.00 -0.53 -4.85 105.19 114.66 1k9m n GLY 61 Ca -0.02 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1k9m n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s THR 62 N 0.63 2.21 0.24 2.61 2.01 -0.67 -1.51 115.64 121.16 1k9m s THR 62 Ca 0.00 -1.43 -0.31 0.00 0.31 0.00 0.00 61.69 60.26 1k9m s THR 62 Cb 0.00 -2.20 -0.13 0.00 0.01 0.00 0.00 72.50 70.17 1k9m s THR 62 CO 0.00 0.11 1.38 0.52 -0.69 0.00 0.00 174.62 175.95 1k9m n VAL 63 N 4.49 1.02 -3.04 3.82 0.31 -0.58 -2.09 118.33 122.26 1k9m n VAL 63 Ca -0.16 -0.25 -0.17 0.00 -0.01 0.00 0.00 64.34 63.74 1k9m n VAL 63 Cb 0.44 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.90 1k9m n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1k9m n GLU 64 N 1.92 0.63 0.00 5.55 -0.58 -0.09 0.06 120.64 128.12 1k9m n GLU 64 Ca 0.11 -2.63 0.00 0.00 -0.42 0.00 0.00 57.16 54.22 1k9m n GLU 64 Cb 0.31 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1k9m n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k9m n GLY 65 N 1.88 -0.20 3.18 0.62 0.00 -1.26 -4.69 105.19 104.72 1k9m n GLY 65 Ca 0.18 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1k9m n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s LYS 66 N -2.08 1.09 -0.26 1.61 -2.85 -1.26 -1.27 119.74 114.72 1k9m s LYS 66 Ca 0.00 -1.55 -0.02 0.00 -1.00 0.00 0.00 55.97 53.40 1k9m s LYS 66 Cb 0.00 0.26 0.08 0.00 -2.06 0.00 0.00 37.83 36.11 1k9m s LYS 66 CO 0.00 -0.34 0.07 -1.14 0.10 0.00 0.00 175.35 174.04 1k9m s GLN 67 N -4.11 0.72 4.69 1.78 0.74 0.30 -4.85 119.66 118.93 1k9m s GLN 67 Ca 0.33 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1k9m s GLN 67 Cb 0.07 -2.01 0.00 0.00 1.10 0.00 0.00 33.01 32.17 1k9m s GLN 67 CO 0.08 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 1k9m n GLY 68 N 4.93 1.30 0.09 2.59 0.00 -1.26 -1.86 105.19 110.98 1k9m n GLY 68 Ca -0.05 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1k9m n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k9m h ASP 69 N 9.33 0.00 -3.94 1.61 3.32 -2.01 -3.46 116.42 121.28 1k9m h ASP 69 Ca 0.00 -0.11 -0.49 0.00 0.02 0.00 0.00 57.03 56.44 1k9m h ASP 69 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 1k9m h ASP 69 CO 0.00 0.06 0.44 0.00 -1.72 0.00 0.00 179.24 178.02 1k9m s ALA 70 N -3.15 3.14 0.35 3.45 0.00 -0.78 -4.76 121.76 120.01 1k9m s ALA 70 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1k9m s ALA 70 Cb 0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1k9m s ALA 70 CO 0.67 -0.28 0.55 0.71 0.00 0.00 0.00 175.76 177.42 1k9m s TYR 71 N -1.54 3.50 -0.29 0.00 1.51 -0.35 0.11 117.35 120.29 1k9m s TYR 71 Ca 0.56 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.97 1k9m s TYR 71 Cb -0.25 -1.90 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 1k9m s TYR 71 CO 0.32 0.12 -0.02 0.15 -1.11 0.00 0.00 175.55 175.00 1k9m s LYS 72 N -4.31 2.46 -0.15 -0.62 1.02 -0.40 -0.64 119.74 117.10 1k9m s LYS 72 Ca 0.40 -1.24 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1k9m s LYS 72 Cb -0.10 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 1k9m s LYS 72 CO 0.36 -0.59 -0.05 0.08 -0.92 0.00 0.00 175.35 174.24 1k9m s VAL 73 N 1.25 3.77 -0.13 3.17 1.01 0.47 -0.91 120.40 129.02 1k9m s VAL 73 Ca -0.05 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1k9m s VAL 73 Cb -0.19 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1k9m s VAL 73 CO -0.02 0.50 0.52 -1.81 0.00 0.00 0.00 175.10 174.29 1k9m s ASP 74 N 0.36 6.70 0.37 3.32 1.01 -0.89 0.88 116.67 128.43 1k9m s ASP 74 Ca -0.05 0.83 0.04 0.00 0.71 0.00 0.00 52.55 54.08 1k9m s ASP 74 Cb -0.14 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1k9m s ASP 74 CO 0.03 -0.06 0.13 0.27 0.21 0.00 0.00 175.17 175.76 1k9m s ILE 75 N 0.89 0.59 -0.22 0.77 -4.36 0.47 -1.67 121.20 117.67 1k9m s ILE 75 Ca 0.27 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1k9m s ILE 75 Cb -0.15 -2.44 0.06 0.00 1.25 0.00 0.00 42.46 41.17 1k9m s ILE 75 CO 0.11 0.00 -0.00 -0.69 0.24 0.00 0.00 174.94 174.60 1k9m s VAL 76 N -3.31 1.01 -0.58 8.37 1.01 -1.26 -0.94 120.40 124.70 1k9m s VAL 76 Ca 0.29 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1k9m s VAL 76 Cb 0.04 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 35.04 1k9m s VAL 76 CO 0.16 -0.18 0.97 -0.62 0.00 0.00 0.00 175.10 175.43 1k9m s ASP 77 N 1.63 6.31 1.26 3.32 -1.08 0.45 -4.76 116.67 123.80 1k9m s ASP 77 Ca -0.03 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.56 1k9m s ASP 77 Cb -0.18 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1k9m s ASP 77 CO -0.08 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 174.92 1k9m n GLY 78 N 5.16 1.20 0.20 2.66 0.00 -1.26 -0.13 105.19 113.02 1k9m n GLY 78 Ca 0.01 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1k9m n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 79 N 0.00 0.51 3.90 -0.02 0.00 -1.26 -5.01 105.19 103.30 1k9m n GLY 79 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1k9m n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k9m s LYS 80 N -0.61 3.43 -0.05 1.61 2.20 0.82 -5.08 119.74 122.05 1k9m s LYS 80 Ca 0.07 -0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 55.15 1k9m s LYS 80 Cb 0.04 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 1k9m s LYS 80 CO 0.06 0.68 0.60 -2.00 -0.36 0.00 0.00 175.35 174.32 1k9m s GLU 81 N -1.88 4.36 0.01 4.03 2.12 -1.26 0.17 118.70 126.26 1k9m s GLU 81 Ca 0.26 0.71 -0.03 0.00 0.36 0.00 0.00 54.97 56.27 1k9m s GLU 81 Cb -0.13 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1k9m s GLU 81 CO 0.18 0.22 0.03 0.15 -0.54 0.00 0.00 175.26 175.29 1k9m s LYS 82 N 0.33 0.37 -0.18 4.30 1.02 -0.11 -4.89 119.74 120.58 1k9m s LYS 82 Ca 0.32 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 1k9m s LYS 82 Cb -0.17 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1k9m s LYS 82 CO 0.16 -0.07 -0.04 0.99 -0.92 0.00 0.00 175.35 175.46 1k9m s THR 83 N -1.46 3.67 -0.14 2.17 2.01 -1.26 -0.40 115.64 120.24 1k9m s THR 83 Ca -0.15 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 1k9m s THR 83 Cb -0.09 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1k9m s THR 83 CO -0.00 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.68 1k9m s ILE 84 N 0.84 3.53 -0.44 1.82 1.01 0.26 -4.90 121.20 123.32 1k9m s ILE 84 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1k9m s ILE 84 Cb -0.15 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1k9m s ILE 84 CO 0.02 0.52 0.77 -0.63 0.00 0.00 0.00 174.94 175.62 1k9m s ILE 85 N 0.24 4.67 -0.09 2.92 -1.09 -1.26 -0.40 121.20 126.19 1k9m s ILE 85 Ca -0.05 0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 58.75 1k9m s ILE 85 Cb -0.15 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.46 1k9m s ILE 85 CO 0.04 -0.68 0.24 0.54 -1.23 0.00 0.00 174.94 173.85 1k9m s VAL 86 N 3.23 -0.01 0.58 2.92 0.11 0.19 -4.60 120.40 122.82 1k9m s VAL 86 Ca 0.29 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 1k9m s VAL 86 Cb -0.12 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1k9m s VAL 86 CO 0.22 0.01 0.99 0.42 -3.33 0.00 0.00 175.10 173.41 1k9m s THR 87 N 0.39 4.69 0.43 5.04 -4.23 -0.97 -1.21 115.64 119.77 1k9m s THR 87 Ca -0.02 0.88 0.17 0.00 -1.18 0.00 0.00 61.69 61.54 1k9m s THR 87 Cb -0.04 -3.84 0.37 0.00 1.34 0.00 0.00 72.50 70.33 1k9m s THR 87 CO -0.02 -1.01 1.90 0.00 -0.54 0.00 0.00 174.62 174.95 1k9m h ALA 88 N 0.02 2.16 -0.39 3.99 0.00 -1.84 -1.02 119.26 122.18 1k9m h ALA 88 Ca -0.45 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.58 1k9m h ALA 88 Cb 1.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1k9m h ALA 88 CO 0.62 -0.39 0.50 0.00 0.00 0.00 0.00 179.25 179.98 1k9m h ALA 89 N 1.63 2.06 -0.22 0.00 0.00 -1.75 -0.71 119.26 120.28 1k9m h ALA 89 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1k9m h ALA 89 Cb 0.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1k9m h ALA 89 CO -0.14 -0.70 0.00 0.72 0.00 0.00 0.00 179.25 179.14 1k9m n HIS 90 N -3.54 0.81 -4.29 0.00 -0.00 -0.39 -4.56 115.22 103.25 1k9m n HIS 90 Ca 0.07 -0.89 -0.16 0.00 -0.00 0.00 0.00 57.72 56.73 1k9m n HIS 90 Cb 0.66 -0.29 -0.10 0.00 -0.00 0.00 0.00 29.99 30.26 1k9m n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1k9m s LEU 91 N -2.83 2.53 -0.04 2.41 1.43 -0.27 -1.96 118.68 119.95 1k9m s LEU 91 Ca 0.41 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.42 1k9m s LEU 91 Cb 0.33 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 46.06 1k9m s LEU 91 CO 0.08 -0.24 0.21 -0.13 0.23 0.00 0.00 176.35 176.49 1k9m s ARG 92 N -3.60 0.43 0.16 1.70 1.81 -0.91 -4.95 118.95 113.60 1k9m s ARG 92 Ca 0.18 -0.07 -0.30 0.00 -1.72 0.00 0.00 55.73 53.82 1k9m s ARG 92 Cb 0.00 0.19 -0.08 0.00 -0.45 0.00 0.00 34.95 34.62 1k9m s ARG 92 CO 0.03 -0.09 1.20 1.03 -0.68 0.00 0.00 175.30 176.79 1k9m s ARG 93 N -0.77 4.48 0.40 3.54 0.52 -1.26 -0.84 118.95 125.02 1k9m s ARG 93 Ca -0.09 1.86 -0.25 0.00 -0.52 0.00 0.00 55.73 56.74 1k9m s ARG 93 Cb -0.05 -3.26 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 1k9m s ARG 93 CO 0.02 -0.11 1.09 -1.14 0.02 0.00 0.00 175.30 175.17 1k9m s GLN 94 N -0.01 4.13 0.00 3.54 0.74 -0.56 -4.82 119.66 122.68 1k9m s GLN 94 Ca 0.54 1.63 0.00 0.00 0.05 0.00 0.00 55.36 57.58 1k9m s GLN 94 Cb -0.32 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.19 1k9m s GLN 94 CO 0.35 -0.20 0.00 0.39 -0.55 0.00 0.00 175.29 175.28