#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q7y s LYS 3 N 0.00 2.28 0.05 3.69 1.02 0.76 -4.91 119.74 122.62 2q7y s LYS 3 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 2q7y s LYS 3 Cb 0.00 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 2q7y s LYS 3 CO 0.00 0.28 1.00 0.99 -0.92 0.00 0.00 175.35 176.70 2q7y s THR 4 N 0.03 4.61 0.42 2.17 2.01 -1.26 -1.89 115.64 121.73 2q7y s THR 4 Ca -0.06 1.99 -0.24 0.00 0.31 0.00 0.00 61.69 63.68 2q7y s THR 4 Cb -0.14 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.02 2q7y s THR 4 CO 0.04 0.22 1.12 -2.16 -0.69 0.00 0.00 174.62 173.14 2q7y s PRO 5 N 0.60 4.01 -0.02 4.92 0.04 -1.26 -4.49 135.00 138.80 2q7y s PRO 5 Ca 0.51 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 2q7y s PRO 5 Cb -0.23 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 2q7y s PRO 5 CO 0.29 -0.31 0.15 -0.65 0.04 0.00 0.00 177.00 176.52 2q7y s GLN 6 N -2.50 3.35 -0.06 4.56 -1.52 0.25 -4.92 119.66 118.82 2q7y s GLN 6 Ca 0.59 -0.34 0.02 0.00 -1.95 0.00 0.00 55.36 53.68 2q7y s GLN 6 Cb -0.26 -3.05 0.02 0.00 -0.22 0.00 0.00 33.01 29.50 2q7y s GLN 6 CO 0.33 0.68 -0.10 0.42 -0.25 0.00 0.00 175.29 176.36 2q7y s ILE 7 N -1.26 1.00 -0.04 1.08 1.01 -1.26 -1.08 121.20 120.64 2q7y s ILE 7 Ca 0.25 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2q7y s ILE 7 Cb -0.12 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.41 2q7y s ILE 7 CO 0.16 0.33 -0.12 -1.10 0.00 0.00 0.00 174.94 174.21 2q7y s GLN 8 N 0.81 1.45 -0.12 2.79 -0.21 -0.44 -4.98 119.66 118.96 2q7y s GLN 8 Ca -0.12 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.84 2q7y s GLN 8 Cb -0.15 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.61 2q7y s GLN 8 CO 0.02 0.12 -0.15 0.08 -2.12 0.00 0.00 175.29 173.24 2q7y s VAL 9 N 0.31 1.53 0.07 1.09 1.01 -1.26 -0.02 120.40 123.13 2q7y s VAL 9 Ca -0.07 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2q7y s VAL 9 Cb -0.12 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.90 2q7y s VAL 9 CO 0.02 0.45 0.46 -0.72 0.00 0.00 0.00 175.10 175.31 2q7y s TYR 10 N 1.09 -0.33 0.26 5.22 1.13 -0.64 -4.75 117.35 119.33 2q7y s TYR 10 Ca -0.04 0.26 -0.04 0.00 -1.41 0.00 0.00 57.07 55.84 2q7y s TYR 10 Cb -0.14 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 2q7y s TYR 10 CO -0.03 -0.64 0.50 -1.54 -2.51 0.00 0.00 175.55 171.32 2q7y s SER 11 N -2.20 6.44 0.10 -0.18 1.04 -0.42 -0.31 113.70 118.17 2q7y s SER 11 Ca -0.03 0.63 -0.16 0.00 0.48 0.00 0.00 55.95 56.86 2q7y s SER 11 Cb -0.00 -2.11 -0.06 0.00 0.10 0.00 0.00 66.02 63.95 2q7y s SER 11 CO -0.05 -0.14 1.51 -0.09 0.98 0.00 0.00 173.24 175.46 2q7y h ARG 12 N 1.84 0.60 -5.80 4.02 9.65 -1.11 -3.47 114.38 120.12 2q7y h ARG 12 Ca -0.48 -0.22 -0.60 0.00 -1.10 0.00 0.00 59.98 57.59 2q7y h ARG 12 Cb 1.19 -0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 29.59 2q7y h ARG 12 CO 0.67 0.77 -0.67 -1.01 2.80 0.00 0.00 179.97 182.53 2q7y s HIS 13 N -4.84 2.33 -0.00 2.20 3.76 -1.26 -5.03 115.29 112.45 2q7y s HIS 13 Ca -0.13 -0.57 -0.36 0.00 -0.15 0.00 0.00 55.06 53.85 2q7y s HIS 13 Cb 0.09 -1.39 -0.14 0.00 1.11 0.00 0.00 32.58 32.24 2q7y s HIS 13 CO 0.78 0.50 1.64 -2.30 -0.85 0.00 0.00 174.74 174.51 2q7y n PRO 14 N -0.78 1.77 -2.25 8.40 -0.02 -1.26 -4.87 135.00 135.99 2q7y n PRO 14 Ca -0.05 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 2q7y n PRO 14 Cb 0.64 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2q7y n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2q7y s PRO 15 N 2.18 3.67 -0.11 0.52 0.04 -1.26 -4.98 135.00 135.05 2q7y s PRO 15 Ca 0.87 1.27 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2q7y s PRO 15 Cb -0.81 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 29.69 2q7y s PRO 15 CO 0.49 -1.45 -0.14 -1.21 0.04 0.00 0.00 177.00 174.73 2q7y s GLU 16 N 4.82 3.19 0.28 4.56 2.02 -1.26 -5.08 118.70 127.23 2q7y s GLU 16 Ca 0.66 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.64 2q7y s GLU 16 Cb -0.19 -2.55 -0.12 0.00 0.10 0.00 0.00 34.13 31.38 2q7y s GLU 16 CO 0.30 0.29 1.63 0.09 0.02 0.00 0.00 175.26 177.58 2q7y n ASN 17 N 3.29 3.93 0.00 -0.19 3.02 -1.26 -1.83 115.26 122.23 2q7y n ASN 17 Ca -0.18 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2q7y n ASN 17 Cb 0.53 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 2q7y n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q7y n GLY 18 N 2.49 1.11 3.57 7.41 0.00 0.10 -4.98 105.19 114.88 2q7y n GLY 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2q7y n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q7y s LYS 19 N -0.15 3.88 0.38 1.61 1.02 -0.76 -4.98 119.74 120.74 2q7y s LYS 19 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 2q7y s LYS 19 Cb 0.00 -3.33 -0.11 0.00 -0.52 0.00 0.00 37.83 33.87 2q7y s LYS 19 CO 0.00 0.05 1.34 -2.30 -0.92 0.00 0.00 175.35 173.52 2q7y n PRO 20 N 4.23 2.20 -3.02 -1.68 -0.02 -1.26 -4.21 135.00 131.23 2q7y n PRO 20 Ca -0.16 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 2q7y n PRO 20 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2q7y n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2q7y n ASN 21 N 0.49 -0.94 -4.01 2.55 2.85 0.16 -4.98 115.26 111.39 2q7y n ASN 21 Ca 0.04 -2.16 -0.24 0.00 -0.11 0.00 0.00 54.58 52.11 2q7y n ASN 21 Cb 0.38 1.71 -0.17 0.00 1.24 0.00 0.00 39.78 42.95 2q7y n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2q7y s ILE 22 N -2.64 1.07 -0.15 -1.44 1.01 -1.26 -0.99 121.20 116.80 2q7y s ILE 22 Ca 0.17 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 2q7y s ILE 22 Cb -0.01 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2q7y s ILE 22 CO 0.12 0.34 0.05 -0.22 0.00 0.00 0.00 174.94 175.24 2q7y s LEU 23 N 0.71 3.80 -0.03 2.97 2.96 -0.00 -0.48 118.68 128.62 2q7y s LEU 23 Ca -0.14 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2q7y s LEU 23 Cb -0.16 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2q7y s LEU 23 CO 0.03 0.25 0.03 0.20 -1.32 0.00 0.00 176.35 175.55 2q7y s ASN 24 N -0.12 5.38 -0.23 3.68 0.01 0.58 -1.60 114.94 122.65 2q7y s ASN 24 Ca 0.06 0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2q7y s ASN 24 Cb -0.12 -1.50 0.06 0.00 0.41 0.00 0.00 41.25 40.10 2q7y s ASN 24 CO 0.01 0.31 -0.03 0.00 -1.51 0.00 0.00 177.10 175.88 2q7y s TYR 26 N 1.50 3.17 -0.19 0.00 5.04 0.97 -1.54 117.35 126.30 2q7y s TYR 26 Ca -0.04 -0.55 -0.04 0.00 -2.44 0.00 0.00 57.07 54.01 2q7y s TYR 26 Cb -0.18 -2.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 2q7y s TYR 26 CO -0.07 -0.44 -0.04 0.08 -1.34 0.00 0.00 175.55 173.74 2q7y s VAL 27 N 1.61 3.63 0.19 3.14 1.01 -0.48 -1.33 120.40 128.18 2q7y s VAL 27 Ca 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2q7y s VAL 27 Cb -0.17 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2q7y s VAL 27 CO 0.06 0.45 0.13 0.42 0.00 0.00 0.00 175.10 176.16 2q7y s THR 28 N 0.92 0.02 -1.28 3.92 -4.23 -0.24 -1.16 115.64 113.58 2q7y s THR 28 Ca -0.00 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2q7y s THR 28 Cb -0.15 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2q7y s THR 28 CO 0.01 -0.09 0.21 0.00 -0.54 0.00 0.00 174.62 174.21 2q7y n GLN 29 N -0.24 -2.36 -4.28 3.99 6.02 -0.64 -0.58 117.38 119.29 2q7y n GLN 29 Ca 0.00 0.73 -0.25 0.00 -0.01 0.00 0.00 57.00 57.48 2q7y n GLN 29 Cb 0.65 -5.13 -0.08 0.00 1.02 0.00 0.00 30.24 26.71 2q7y n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2q7y s PHE 30 N -2.89 2.70 -0.28 1.08 -0.71 -1.16 -4.13 117.98 112.59 2q7y s PHE 30 Ca 0.10 -0.20 -0.20 0.00 -1.04 0.00 0.00 56.93 55.59 2q7y s PHE 30 Cb -0.05 -1.26 0.09 0.00 -1.21 0.00 0.00 43.02 40.59 2q7y s PHE 30 CO 0.13 0.56 0.76 -1.58 -1.34 0.00 0.00 175.22 173.75 2q7y s HIS 31 N -1.99 -0.87 1.04 3.49 2.46 -0.79 -1.90 115.29 116.73 2q7y s HIS 31 Ca 0.28 1.87 -0.16 0.00 0.47 0.00 0.00 55.06 57.53 2q7y s HIS 31 Cb -0.08 0.46 0.21 0.00 -0.13 0.00 0.00 32.58 33.04 2q7y s HIS 31 CO 0.18 -0.42 1.17 -1.25 -2.47 0.00 0.00 174.74 171.94 2q7y s PRO 32 N 1.05 0.11 0.35 2.88 0.04 -1.26 -0.17 135.00 137.99 2q7y s PRO 32 Ca -0.05 0.02 0.27 0.00 0.04 0.00 0.00 61.00 61.27 2q7y s PRO 32 Cb -0.05 -1.74 1.02 0.00 0.04 0.00 0.00 34.50 33.77 2q7y s PRO 32 CO -0.11 -2.84 1.79 -1.00 0.04 0.00 0.00 177.00 174.88 2q7y h PRO 33 N -1.96 0.00 -6.37 0.56 0.13 -2.00 -3.44 132.00 118.92 2q7y h PRO 33 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 2q7y h PRO 33 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 2q7y h PRO 33 CO 0.46 0.00 1.09 -1.58 -0.23 0.00 0.00 178.00 177.74 2q7y s HIS 34 N -3.38 1.99 0.00 1.56 2.46 -1.26 -4.97 115.29 111.70 2q7y s HIS 34 Ca 0.04 0.07 -0.22 0.00 0.47 0.00 0.00 55.06 55.42 2q7y s HIS 34 Cb 0.09 -4.03 0.05 0.00 -0.13 0.00 0.00 32.58 28.56 2q7y s HIS 34 CO 0.48 -4.34 0.50 -1.50 -2.47 0.00 0.00 174.74 167.41 2q7y s ILE 35 N 3.51 0.03 -0.10 0.89 2.07 -1.26 -4.58 121.20 121.77 2q7y s ILE 35 Ca 0.78 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 59.77 2q7y s ILE 35 Cb -0.39 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.33 2q7y s ILE 35 CO 0.34 -0.15 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.39 2q7y s GLU 36 N -1.81 2.00 -0.06 3.50 2.12 -0.73 -5.01 118.70 118.71 2q7y s GLU 36 Ca -0.09 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2q7y s GLU 36 Cb -0.02 -1.75 -0.00 0.00 0.26 0.00 0.00 34.13 32.63 2q7y s GLU 36 CO 0.03 -0.08 -0.19 0.42 -0.54 0.00 0.00 175.26 174.90 2q7y s ILE 37 N 1.06 1.58 0.10 -3.70 1.01 -1.26 -1.21 121.20 118.78 2q7y s ILE 37 Ca -0.06 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.87 2q7y s ILE 37 Cb -0.15 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2q7y s ILE 37 CO -0.02 0.45 -0.14 -1.10 0.00 0.00 0.00 174.94 174.13 2q7y s GLN 38 N 0.20 0.95 -0.00 2.79 -0.21 -0.25 -5.00 119.66 118.14 2q7y s GLN 38 Ca -0.09 -1.13 0.08 0.00 0.02 0.00 0.00 55.36 54.24 2q7y s GLN 38 Cb -0.14 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.96 2q7y s GLN 38 CO 0.04 0.18 -0.25 -1.64 -2.12 0.00 0.00 175.29 171.50 2q7y s MET 39 N -2.31 2.05 0.03 2.91 -1.94 -1.26 -1.01 119.30 117.76 2q7y s MET 39 Ca 0.05 -0.97 0.09 0.00 -1.71 0.00 0.00 55.69 53.15 2q7y s MET 39 Cb -0.07 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 2q7y s MET 39 CO 0.03 0.55 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.82 2q7y s LEU 40 N -0.81 2.14 -0.19 -0.03 1.43 0.87 -0.60 118.68 121.48 2q7y s LEU 40 Ca 0.11 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2q7y s LEU 40 Cb -0.10 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.88 2q7y s LEU 40 CO 0.00 0.27 -0.11 -0.75 0.23 0.00 0.00 176.35 175.98 2q7y s LYS 41 N -1.10 2.13 -1.46 1.70 2.20 0.61 -1.63 119.74 122.19 2q7y s LYS 41 Ca 0.11 -0.83 -0.10 0.00 -0.36 0.00 0.00 55.97 54.79 2q7y s LYS 41 Cb -0.10 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.86 2q7y s LYS 41 CO 0.01 -0.40 0.86 0.09 -0.36 0.00 0.00 175.35 175.55 2q7y n ASN 42 N 4.68 -5.29 0.00 1.43 3.02 0.46 -1.66 115.26 117.90 2q7y n ASN 42 Ca -0.15 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 2q7y n ASN 42 Cb 0.47 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.40 2q7y n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q7y n GLY 43 N -1.64 1.44 3.55 7.41 0.00 -1.26 -5.02 105.19 109.67 2q7y n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2q7y n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q7y s LYS 44 N -0.15 3.48 0.17 1.61 1.02 -0.66 -5.00 119.74 120.21 2q7y s LYS 44 Ca 0.00 -0.48 -0.33 0.00 0.02 0.00 0.00 55.97 55.17 2q7y s LYS 44 Cb 0.00 -2.89 -0.13 0.00 -0.52 0.00 0.00 37.83 34.29 2q7y s LYS 44 CO 0.00 0.38 1.63 1.17 -0.92 0.00 0.00 175.35 177.61 2q7y n LYS 45 N 3.13 2.35 -2.85 1.68 4.81 -1.26 -0.28 118.16 125.73 2q7y n LYS 45 Ca -0.18 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.70 2q7y n LYS 45 Cb 0.53 -2.64 -0.04 0.00 0.02 0.00 0.00 35.03 32.90 2q7y n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2q7y s ILE 46 N 1.08 4.85 0.07 3.15 1.01 0.23 -4.86 121.20 126.73 2q7y s ILE 46 Ca 0.78 1.70 0.16 0.00 0.00 0.00 0.00 60.65 63.28 2q7y s ILE 46 Cb -0.62 -4.17 0.06 0.00 0.01 0.00 0.00 42.46 37.74 2q7y s ILE 46 CO 0.36 -0.00 1.58 1.55 0.00 0.00 0.00 174.94 178.44 2q7y h PRO 47 N 7.35 0.00 -0.11 2.79 0.13 -1.93 -3.36 132.00 136.87 2q7y h PRO 47 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2q7y h PRO 47 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2q7y h PRO 47 CO 0.85 0.50 0.00 0.36 -0.23 0.00 0.00 178.00 179.49 2q7y n LYS 48 N -3.43 1.44 -1.66 0.86 0.00 -1.26 -4.99 118.16 109.12 2q7y n LYS 48 Ca 0.00 -0.66 -0.51 0.00 -0.00 0.00 0.00 58.31 57.14 2q7y n LYS 48 Cb 0.64 -1.32 -0.06 0.00 -0.00 0.00 0.00 35.03 34.29 2q7y n LYS 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2q7y n VAL 49 N -0.10 0.24 -3.74 0.58 0.31 -1.26 -4.98 118.33 109.38 2q7y n VAL 49 Ca 0.14 -0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 64.05 2q7y n VAL 49 Cb 0.21 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 31.72 2q7y n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2q7y s GLU 50 N 2.38 3.63 -0.05 5.55 0.41 -0.30 -4.94 118.70 125.38 2q7y s GLU 50 Ca 0.89 0.06 0.05 0.00 -0.41 0.00 0.00 54.97 55.56 2q7y s GLU 50 Cb -0.86 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 28.26 2q7y s GLU 50 CO 0.51 0.73 -0.20 1.41 -0.49 0.00 0.00 175.26 177.22 2q7y s MET 51 N -0.98 2.52 0.93 1.61 1.75 -1.26 -0.78 119.30 123.08 2q7y s MET 51 Ca 0.18 -0.82 -0.12 0.00 -1.25 0.00 0.00 55.69 53.68 2q7y s MET 51 Cb -0.14 -2.25 0.15 0.00 2.84 0.00 0.00 34.83 35.43 2q7y s MET 51 CO 0.07 0.49 1.11 -1.54 -0.65 0.00 0.00 175.02 174.49 2q7y s SER 52 N -0.41 3.29 0.39 1.11 1.04 0.32 -4.98 113.70 114.45 2q7y s SER 52 Ca 0.04 1.20 -0.27 0.00 0.48 0.00 0.00 55.95 57.40 2q7y s SER 52 Cb -0.12 -1.85 -0.09 0.00 0.10 0.00 0.00 66.02 64.06 2q7y s SER 52 CO 0.02 -2.72 1.29 -1.81 0.98 0.00 0.00 173.24 171.00 2q7y s ASP 53 N -3.67 6.44 0.55 7.02 1.01 -1.26 -4.70 116.67 122.06 2q7y s ASP 53 Ca 0.64 2.64 -0.19 0.00 0.71 0.00 0.00 52.55 56.35 2q7y s ASP 53 Cb -0.17 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.07 2q7y s ASP 53 CO 0.56 -0.76 1.11 -0.32 0.21 0.00 0.00 175.17 175.97 2q7y s MET 54 N -2.13 3.39 0.08 8.23 1.75 -1.26 -4.74 119.30 124.62 2q7y s MET 54 Ca 0.55 1.52 0.01 0.00 -1.25 0.00 0.00 55.69 56.52 2q7y s MET 54 Cb -0.38 -2.02 -0.00 0.00 2.84 0.00 0.00 34.83 35.27 2q7y s MET 54 CO 0.49 -0.80 0.08 0.45 -0.65 0.00 0.00 175.02 174.59 2q7y n SER 55 N -1.38 -0.20 -3.90 1.11 2.88 -0.58 -5.01 113.62 106.54 2q7y n SER 55 Ca 0.11 -1.50 -0.10 0.00 -1.33 0.00 0.00 58.87 56.05 2q7y n SER 55 Cb 0.51 0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 64.33 2q7y n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2q7y s PHE 56 N -2.80 0.13 0.73 0.66 -0.12 -1.26 -1.71 117.98 113.62 2q7y s PHE 56 Ca 0.09 -0.38 -0.04 0.00 -0.05 0.00 0.00 56.93 56.55 2q7y s PHE 56 Cb 0.00 -0.10 0.11 0.00 -0.63 0.00 0.00 43.02 42.41 2q7y s PHE 56 CO 0.06 -0.37 1.02 -1.12 -0.05 0.00 0.00 175.22 174.76 2q7y s SER 57 N -2.00 4.36 0.40 1.98 0.01 0.37 -4.92 113.70 113.91 2q7y s SER 57 Ca -0.07 -0.08 0.17 0.00 1.31 0.00 0.00 55.95 57.29 2q7y s SER 57 Cb -0.02 -0.37 1.07 0.00 0.21 0.00 0.00 66.02 66.92 2q7y s SER 57 CO -0.03 -1.86 1.81 0.11 0.41 0.00 0.00 173.24 173.68 2q7y h LYS 58 N -0.63 0.41 -0.18 12.44 1.57 -2.02 0.18 116.57 128.33 2q7y h LYS 58 Ca -0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2q7y h LYS 58 Cb 1.27 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2q7y h LYS 58 CO 0.45 0.27 0.00 -0.40 -0.57 0.00 0.00 179.45 179.20 2q7y n ASP 59 N -4.58 1.05 0.00 0.86 5.68 -1.26 -4.90 116.55 113.41 2q7y n ASP 59 Ca 0.23 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 2q7y n ASP 59 Cb 0.78 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2q7y n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2q7y n TRP 60 N 0.05 0.00 -2.84 2.11 7.02 0.63 -5.02 117.44 119.38 2q7y n TRP 60 Ca 0.08 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.22 2q7y n TRP 60 Cb 0.18 -0.05 -0.07 0.00 -2.42 0.00 0.00 31.31 28.95 2q7y n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2q7y s SER 61 N -3.04 7.01 0.38 -0.99 1.04 -1.26 -4.71 113.70 112.13 2q7y s SER 61 Ca 0.00 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.05 2q7y s SER 61 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 2q7y s SER 61 CO 0.00 -0.28 0.68 -0.36 0.98 0.00 0.00 173.24 174.26 2q7y s PHE 62 N -2.04 3.50 0.01 5.02 0.40 -0.80 -0.48 117.98 123.59 2q7y s PHE 62 Ca 0.59 0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 57.56 2q7y s PHE 62 Cb -0.11 -2.25 0.02 0.00 0.51 0.00 0.00 43.02 41.19 2q7y s PHE 62 CO 0.16 -0.03 0.33 1.52 0.70 0.00 0.00 175.22 177.89 2q7y s TYR 63 N -2.36 -0.17 -0.12 0.36 -0.85 -0.69 -1.63 117.35 111.89 2q7y s TYR 63 Ca 0.47 0.19 -0.17 0.00 -0.52 0.00 0.00 57.07 57.03 2q7y s TYR 63 Cb -0.10 0.11 0.04 0.00 0.38 0.00 0.00 41.96 42.39 2q7y s TYR 63 CO 0.34 -0.45 0.45 -1.50 -1.52 0.00 0.00 175.55 172.87 2q7y s ILE 64 N -1.82 0.01 -0.17 -3.49 2.07 -0.31 -1.53 121.20 115.96 2q7y s ILE 64 Ca -0.10 -0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 58.99 2q7y s ILE 64 Cb -0.03 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 2q7y s ILE 64 CO 0.01 -0.06 -0.05 -0.22 -1.91 0.00 0.00 174.94 172.71 2q7y s LEU 65 N -0.30 3.05 -0.03 8.50 2.96 -1.26 -1.38 118.68 130.22 2q7y s LEU 65 Ca -0.05 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2q7y s LEU 65 Cb -0.03 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2q7y s LEU 65 CO 0.03 0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 175.11 2q7y s ALA 66 N 0.73 3.07 0.07 5.97 0.00 -0.59 0.12 121.76 131.12 2q7y s ALA 66 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 2q7y s ALA 66 Cb -0.15 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 2q7y s ALA 66 CO 0.02 0.60 0.15 -3.38 0.00 0.00 0.00 175.76 173.15 2q7y s HIS 67 N -0.93 0.20 -0.04 0.00 -3.43 0.04 -0.48 115.29 110.65 2q7y s HIS 67 Ca 0.15 -0.60 -0.16 0.00 -0.80 0.00 0.00 55.06 53.65 2q7y s HIS 67 Cb -0.11 -0.11 0.03 0.00 -1.43 0.00 0.00 32.58 30.96 2q7y s HIS 67 CO 0.05 -0.48 0.35 -0.08 -2.00 0.00 0.00 174.74 172.58 2q7y s THR 68 N -3.54 0.04 0.50 -5.38 -1.32 -0.63 -1.15 115.64 104.17 2q7y s THR 68 Ca 0.03 -0.34 -0.23 0.00 -1.21 0.00 0.00 61.69 59.94 2q7y s THR 68 Cb 0.04 -0.63 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 2q7y s THR 68 CO -0.09 -0.19 1.31 -1.61 -2.21 0.00 0.00 174.62 171.83 2q7y s GLU 69 N -1.01 3.45 0.07 7.08 2.02 -1.26 -0.82 118.70 128.23 2q7y s GLU 69 Ca -0.11 2.13 -0.26 0.00 0.02 0.00 0.00 54.97 56.76 2q7y s GLU 69 Cb -0.04 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.87 2q7y s GLU 69 CO 0.04 -0.91 0.72 -0.59 0.02 0.00 0.00 175.26 174.54 2q7y s PHE 70 N -1.35 -0.48 -0.26 1.61 -0.71 -0.16 -4.82 117.98 111.82 2q7y s PHE 70 Ca 0.67 0.40 0.01 0.00 -1.04 0.00 0.00 56.93 56.96 2q7y s PHE 70 Cb -0.38 0.53 0.07 0.00 -1.21 0.00 0.00 43.02 42.04 2q7y s PHE 70 CO 0.46 -0.70 -0.01 0.95 -1.34 0.00 0.00 175.22 174.58 2q7y s THR 71 N -3.14 1.45 0.58 -4.49 -4.23 -1.26 0.41 115.64 104.95 2q7y s THR 71 Ca 0.01 -1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 2q7y s THR 71 Cb -0.01 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 2q7y s THR 71 CO -0.08 -0.27 1.21 -2.16 -0.54 0.00 0.00 174.62 172.77 2q7y s PRO 72 N 1.40 3.04 0.00 3.99 0.04 -1.26 -4.76 135.00 137.45 2q7y s PRO 72 Ca -0.01 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2q7y s PRO 72 Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2q7y s PRO 72 CO -0.10 -1.15 0.00 0.25 0.04 0.00 0.00 177.00 176.04 2q7y n THR 73 N -1.50 0.00 -2.06 1.26 -2.24 -1.26 0.01 114.28 108.49 2q7y n THR 73 Ca 0.13 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2q7y n THR 73 Cb 0.49 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.82 2q7y n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2q7y n GLU 74 N 0.00 1.86 0.00 -0.78 -0.58 -1.26 -4.61 120.64 115.27 2q7y n GLU 74 Ca 0.00 -3.32 0.00 0.00 -0.42 0.00 0.00 57.16 53.42 2q7y n GLU 74 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 2q7y n GLU 74 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2q7y n THR 75 N -0.62 0.00 -5.13 2.62 -2.24 -1.26 -5.07 114.28 102.59 2q7y n THR 75 Ca 0.22 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 2q7y n THR 75 Cb 0.87 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 70.05 2q7y n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2q7y s ASP 76 N -0.37 3.41 0.07 3.42 1.01 -1.26 -5.04 116.67 117.90 2q7y s ASP 76 Ca 0.00 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 52.88 2q7y s ASP 76 Cb 0.00 -0.83 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 2q7y s ASP 76 CO 0.00 0.28 0.08 0.42 0.21 0.00 0.00 175.17 176.16 2q7y s THR 77 N -0.34 4.56 0.01 -1.27 -4.23 -1.26 -4.74 115.64 108.37 2q7y s THR 77 Ca 0.02 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2q7y s THR 77 Cb -0.12 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 2q7y s THR 77 CO 0.02 0.16 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.83 2q7y s TYR 78 N -1.36 1.06 0.13 3.99 1.51 -1.26 -0.41 117.35 121.02 2q7y s TYR 78 Ca 0.28 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 56.00 2q7y s TYR 78 Cb -0.12 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.06 2q7y s TYR 78 CO 0.21 -0.00 0.24 0.00 -1.11 0.00 0.00 175.55 174.88 2q7y s ALA 79 N -0.50 -0.11 -0.11 3.71 0.00 -0.64 -0.27 121.76 123.84 2q7y s ALA 79 Ca 0.03 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2q7y s ALA 79 Cb -0.06 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2q7y s ALA 79 CO 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 175.76 175.00 2q7y s ARG 81 N 0.28 2.92 -0.09 0.00 3.52 -0.18 -0.41 118.95 124.99 2q7y s ARG 81 Ca -0.13 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.66 2q7y s ARG 81 Cb -0.16 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 2q7y s ARG 81 CO 0.07 0.16 -0.16 0.08 -0.81 0.00 0.00 175.30 174.63 2q7y s VAL 82 N 0.39 1.51 -0.18 7.11 1.01 0.49 -1.09 120.40 129.64 2q7y s VAL 82 Ca -0.18 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2q7y s VAL 82 Cb -0.18 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2q7y s VAL 82 CO 0.08 0.44 -0.07 -0.75 0.00 0.00 0.00 175.10 174.81 2q7y s LYS 83 N 0.71 3.43 -0.01 2.72 2.20 -0.35 -1.01 119.74 127.43 2q7y s LYS 83 Ca -0.13 -0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 2q7y s LYS 83 Cb -0.16 -2.89 0.01 0.00 -1.51 0.00 0.00 37.83 33.28 2q7y s LYS 83 CO 0.03 -0.01 0.23 -1.58 -0.36 0.00 0.00 175.35 173.66 2q7y s HIS 84 N 0.97 -0.08 0.54 4.03 2.46 -1.26 -1.77 115.29 120.17 2q7y s HIS 84 Ca -0.01 0.10 0.22 0.00 0.47 0.00 0.00 55.06 55.84 2q7y s HIS 84 Cb -0.15 0.03 1.41 0.00 -0.13 0.00 0.00 32.58 33.74 2q7y s HIS 84 CO 0.00 -0.33 2.10 0.00 -2.47 0.00 0.00 174.74 174.04 2q7y h ALA 85 N 4.13 2.09 0.00 1.58 0.00 -1.94 -2.44 119.26 122.67 2q7y h ALA 85 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2q7y h ALA 85 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2q7y h ALA 85 CO 0.40 -0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 2q7y n SER 86 N -4.33 0.43 -4.19 0.00 3.41 -1.26 -4.68 113.62 102.99 2q7y n SER 86 Ca 0.02 0.62 -0.26 0.00 -0.26 0.00 0.00 58.87 58.98 2q7y n SER 86 Cb 0.28 -0.71 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 2q7y n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2q7y s MET 87 N -3.24 1.67 0.51 4.33 -1.94 -0.92 -4.90 119.30 114.82 2q7y s MET 87 Ca 0.04 -0.68 0.30 0.00 -1.71 0.00 0.00 55.69 53.63 2q7y s MET 87 Cb 0.08 -1.56 1.04 0.00 2.01 0.00 0.00 34.83 36.40 2q7y s MET 87 CO 0.31 0.37 1.86 0.00 -0.01 0.00 0.00 175.02 177.55 2q7y h ALA 88 N 5.82 1.00 -2.84 3.03 0.00 -1.83 -3.43 119.26 121.00 2q7y h ALA 88 Ca -0.36 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 2q7y h ALA 88 Cb 1.15 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 2q7y h ALA 88 CO 0.48 0.02 -0.70 -1.21 0.00 0.00 0.00 179.25 177.84 2q7y s GLU 89 N -3.53 0.40 0.61 0.00 2.02 -1.26 -5.13 118.70 111.82 2q7y s GLU 89 Ca 0.03 -0.76 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 2q7y s GLU 89 Cb 0.08 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 2q7y s GLU 89 CO 0.59 -0.05 0.95 -2.30 0.02 0.00 0.00 175.26 174.47 2q7y n PRO 90 N 1.26 0.84 -4.33 0.39 -0.02 -1.26 -4.88 135.00 127.01 2q7y n PRO 90 Ca -0.22 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 2q7y n PRO 90 Cb 0.56 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2q7y n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2q7y s LYS 91 N -2.79 3.48 -0.14 -0.52 2.20 -0.18 -4.93 119.74 116.86 2q7y s LYS 91 Ca 0.77 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 2q7y s LYS 91 Cb -0.41 -2.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 2q7y s LYS 91 CO 0.46 0.07 -0.09 0.99 -0.36 0.00 0.00 175.35 176.42 2q7y s THR 92 N 0.77 3.37 -0.09 3.43 2.01 -1.26 -0.38 115.64 123.50 2q7y s THR 92 Ca -0.03 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2q7y s THR 92 Cb -0.15 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.92 2q7y s THR 92 CO 0.02 0.51 -0.21 0.68 -0.69 0.00 0.00 174.62 174.92 2q7y s VAL 93 N 0.41 1.82 0.17 3.82 -7.23 0.45 -4.97 120.40 114.88 2q7y s VAL 93 Ca -0.08 -0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 2q7y s VAL 93 Cb -0.15 -1.59 -0.08 0.00 0.56 0.00 0.00 36.38 35.12 2q7y s VAL 93 CO 0.04 0.51 0.67 -0.31 -0.31 0.00 0.00 175.10 175.70 2q7y s TYR 94 N 0.43 3.72 0.14 2.82 1.51 -1.26 -0.65 117.35 124.05 2q7y s TYR 94 Ca -0.18 1.35 -0.31 0.00 -1.01 0.00 0.00 57.07 56.92 2q7y s TYR 94 Cb -0.17 -2.58 -0.08 0.00 -0.11 0.00 0.00 41.96 39.02 2q7y s TYR 94 CO 0.08 0.43 1.39 -0.46 -1.11 0.00 0.00 175.55 175.88 2q7y s TRP 95 N -1.36 3.23 -2.19 2.71 -0.00 0.63 -4.91 118.94 117.04 2q7y s TRP 95 Ca 0.38 0.99 0.18 0.00 -0.00 0.00 0.00 56.10 57.65 2q7y s TRP 95 Cb -0.18 -3.69 0.55 0.00 -0.00 0.00 0.00 33.47 30.15 2q7y s TRP 95 CO 0.21 -2.36 1.43 -3.47 -0.00 0.00 0.00 176.95 172.76 2q7y n ASP 96 N 3.65 2.18 0.00 5.86 -0.08 -1.26 -4.70 116.55 122.19 2q7y n ASP 96 Ca 0.10 -1.87 0.00 0.00 -1.51 0.00 0.00 54.79 51.51 2q7y n ASP 96 Cb 0.42 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2q7y n ASP 96 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2q7y n ARG 97 N 0.67 0.00 -0.07 -0.67 1.74 -1.26 -4.68 116.66 112.39 2q7y n ARG 97 Ca 0.16 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.09 2q7y n ARG 97 Cb 0.38 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 2q7y n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2q7y n ASP 98 N 0.00 1.23 0.00 0.55 8.00 -1.26 -4.91 116.55 120.15 2q7y n ASP 98 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2q7y n ASP 98 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 2q7y n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04