#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0n s GLN 2 N 0.00 3.45 -0.12 0.38 -0.21 -1.26 -4.75 119.66 117.15 1t0n s GLN 2 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.04 1t0n s GLN 2 Cb 0.00 -3.06 0.01 0.00 1.00 0.00 0.00 33.01 30.95 1t0n s GLN 2 CO 0.00 0.64 -0.22 0.15 -2.12 0.00 0.00 175.29 173.73 1t0n s LYS 3 N -2.24 2.95 0.01 2.91 1.02 0.40 -4.94 119.74 119.86 1t0n s LYS 3 Ca 0.32 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 1t0n s LYS 3 Cb -0.13 -2.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 1t0n s LYS 3 CO 0.23 0.07 1.22 0.99 -0.92 0.00 0.00 175.35 176.94 1t0n s THR 4 N 0.62 4.08 0.41 2.17 2.01 -1.26 -2.15 115.64 121.53 1t0n s THR 4 Ca -0.12 1.47 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 1t0n s THR 4 Cb -0.17 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1t0n s THR 4 CO 0.03 0.06 1.36 -2.16 -0.69 0.00 0.00 174.62 173.22 1t0n s PRO 5 N 1.59 3.94 -0.10 4.92 0.04 -1.26 -4.54 135.00 139.59 1t0n s PRO 5 Ca 0.58 2.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.86 1t0n s PRO 5 Cb -0.28 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1t0n s PRO 5 CO 0.26 -0.56 0.06 -0.65 0.04 0.00 0.00 177.00 176.16 1t0n s GLN 6 N -2.25 3.21 -0.02 4.56 -1.52 -0.24 -4.94 119.66 118.46 1t0n s GLN 6 Ca 0.57 -0.29 0.04 0.00 -1.95 0.00 0.00 55.36 53.74 1t0n s GLN 6 Cb -0.41 -2.98 -0.01 0.00 -0.22 0.00 0.00 33.01 29.40 1t0n s GLN 6 CO 0.53 0.72 -0.15 0.42 -0.25 0.00 0.00 175.29 176.56 1t0n s ILE 7 N -0.90 1.23 -0.05 1.08 1.01 -1.26 -1.33 121.20 120.97 1t0n s ILE 7 Ca 0.14 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1t0n s ILE 7 Cb -0.12 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1t0n s ILE 7 CO 0.03 0.35 -0.10 -1.10 0.00 0.00 0.00 174.94 174.12 1t0n s GLN 8 N -0.17 1.36 -0.14 2.79 -0.21 -0.33 -4.99 119.66 117.98 1t0n s GLN 8 Ca 0.02 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.07 1t0n s GLN 8 Cb -0.08 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.75 1t0n s GLN 8 CO 0.00 0.05 -0.20 0.08 -2.12 0.00 0.00 175.29 173.11 1t0n s VAL 9 N 0.53 2.28 0.09 1.09 1.01 -1.26 -0.61 120.40 123.52 1t0n s VAL 9 Ca -0.10 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 1t0n s VAL 9 Cb -0.13 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1t0n s VAL 9 CO 0.02 0.54 0.84 -0.72 0.00 0.00 0.00 175.10 175.78 1t0n s TYR 10 N 0.73 -0.31 0.28 5.22 -0.85 -0.62 -4.56 117.35 117.25 1t0n s TYR 10 Ca -0.08 0.10 -0.07 0.00 -0.52 0.00 0.00 57.07 56.49 1t0n s TYR 10 Cb -0.16 0.58 -0.06 0.00 0.38 0.00 0.00 41.96 42.70 1t0n s TYR 10 CO 0.00 -0.72 0.58 -1.54 -1.52 0.00 0.00 175.55 172.35 1t0n s SER 11 N -2.68 6.51 0.18 -0.18 1.04 -1.26 0.23 113.70 117.54 1t0n s SER 11 Ca 0.07 0.83 -0.07 0.00 0.48 0.00 0.00 55.95 57.26 1t0n s SER 11 Cb -0.01 -2.19 0.09 0.00 0.10 0.00 0.00 66.02 64.00 1t0n s SER 11 CO -0.06 -0.18 1.55 -0.09 0.98 0.00 0.00 173.24 175.45 1t0n h ARG 12 N 1.91 0.80 -6.31 4.02 2.43 -1.23 -3.45 114.38 112.55 1t0n h ARG 12 Ca -0.47 -0.39 -0.62 0.00 -0.81 0.00 0.00 59.98 57.69 1t0n h ARG 12 Cb 1.18 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.58 1t0n h ARG 12 CO 0.67 1.02 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.36 1t0n s HIS 13 N -4.43 2.31 0.23 2.20 3.76 -1.26 -5.04 115.29 113.06 1t0n s HIS 13 Ca -0.10 -0.33 -0.32 0.00 -0.15 0.00 0.00 55.06 54.17 1t0n s HIS 13 Cb 0.12 -1.04 -0.13 0.00 1.11 0.00 0.00 32.58 32.64 1t0n s HIS 13 CO 0.85 0.66 1.43 -2.30 -0.85 0.00 0.00 174.74 174.53 1t0n n PRO 14 N -0.40 2.05 -2.25 8.40 -0.02 -1.26 -4.86 135.00 136.65 1t0n n PRO 14 Ca -0.07 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1t0n n PRO 14 Cb 0.59 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1t0n n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1t0n s PRO 15 N -0.22 4.43 -0.08 0.52 0.04 -1.26 -5.02 135.00 133.40 1t0n s PRO 15 Ca 0.70 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1t0n s PRO 15 Cb -0.66 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1t0n s PRO 15 CO 0.48 -0.16 0.04 -1.21 0.04 0.00 0.00 177.00 176.18 1t0n s GLU 16 N -0.59 0.31 0.15 4.56 2.02 -1.26 -5.12 118.70 118.77 1t0n s GLU 16 Ca 0.53 0.13 -0.34 0.00 0.02 0.00 0.00 54.97 55.32 1t0n s GLU 16 Cb -0.36 -1.01 -0.15 0.00 0.10 0.00 0.00 34.13 32.71 1t0n s GLU 16 CO 0.41 -0.38 1.45 0.09 0.02 0.00 0.00 175.26 176.84 1t0n n ASN 17 N 5.21 2.48 0.00 -0.19 3.02 -1.26 -1.66 115.26 122.86 1t0n n ASN 17 Ca -0.06 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 1t0n n ASN 17 Cb 0.50 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 1t0n n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t0n n GLY 18 N 2.85 2.16 3.60 7.41 0.00 -0.06 -5.00 105.19 116.14 1t0n n GLY 18 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1t0n n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t0n s LYS 19 N -0.37 3.94 0.41 1.61 2.20 -0.66 -4.98 119.74 121.88 1t0n s LYS 19 Ca 0.00 -0.35 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 1t0n s LYS 19 Cb 0.00 -3.35 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 1t0n s LYS 19 CO 0.00 0.10 0.77 -2.30 -0.36 0.00 0.00 175.35 173.57 1t0n n PRO 20 N 4.09 0.92 -1.51 4.03 -0.02 -1.26 -4.35 135.00 136.89 1t0n n PRO 20 Ca -0.16 0.33 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1t0n n PRO 20 Cb 0.52 -1.74 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1t0n n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1t0n n ASN 21 N 0.93 -0.12 -3.94 2.55 2.85 0.12 -4.97 115.26 112.68 1t0n n ASN 21 Ca 0.11 -1.12 -0.22 0.00 -0.11 0.00 0.00 54.58 53.24 1t0n n ASN 21 Cb 0.39 0.21 -0.16 0.00 1.24 0.00 0.00 39.78 41.45 1t0n n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1t0n s ILE 22 N -2.65 0.76 -0.19 -1.44 -1.09 -1.26 -1.95 121.20 113.38 1t0n s ILE 22 Ca 0.02 -0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.11 1t0n s ILE 22 Cb -0.00 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 1t0n s ILE 22 CO 0.01 0.28 0.07 -0.22 -1.23 0.00 0.00 174.94 173.84 1t0n s LEU 23 N 0.86 3.80 0.06 2.97 2.96 0.05 -0.60 118.68 128.79 1t0n s LEU 23 Ca -0.12 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1t0n s LEU 23 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1t0n s LEU 23 CO 0.01 0.15 -0.02 0.20 -1.32 0.00 0.00 176.35 175.37 1t0n s ASN 24 N 0.51 4.89 -0.30 3.68 0.01 0.14 -1.25 114.94 122.61 1t0n s ASN 24 Ca 0.03 -0.17 -0.00 0.00 -0.71 0.00 0.00 52.86 52.01 1t0n s ASN 24 Cb -0.13 -1.15 0.09 0.00 0.41 0.00 0.00 41.25 40.48 1t0n s ASN 24 CO 0.01 0.21 0.08 0.00 -1.51 0.00 0.00 177.10 175.89 1t0n s TYR 26 N 1.55 3.23 -0.15 0.00 5.04 0.22 -1.17 117.35 126.08 1t0n s TYR 26 Ca 0.08 0.34 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 1t0n s TYR 26 Cb -0.17 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.45 1t0n s TYR 26 CO -0.21 -0.33 -0.17 0.08 -1.34 0.00 0.00 175.55 173.57 1t0n s VAL 27 N 2.17 2.50 0.34 3.14 1.01 -0.47 -1.18 120.40 127.91 1t0n s VAL 27 Ca 0.16 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1t0n s VAL 27 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1t0n s VAL 27 CO 0.11 0.53 0.18 0.42 0.00 0.00 0.00 175.10 176.34 1t0n s THR 28 N 0.77 0.31 -1.30 3.92 -4.23 -0.44 -0.84 115.64 113.83 1t0n s THR 28 Ca -0.07 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1t0n s THR 28 Cb -0.16 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1t0n s THR 28 CO 0.00 0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.11 1t0n n GLN 29 N -0.68 -2.15 -4.16 3.99 1.13 -0.83 -1.08 117.38 113.60 1t0n n GLN 29 Ca 0.01 0.73 -0.23 0.00 -1.94 0.00 0.00 57.00 55.57 1t0n n GLN 29 Cb 0.64 -5.36 -0.05 0.00 0.11 0.00 0.00 30.24 25.58 1t0n n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1t0n s PHE 30 N -2.77 3.00 -0.29 1.08 -0.71 -1.16 -4.14 117.98 113.00 1t0n s PHE 30 Ca 0.02 -0.13 -0.18 0.00 -1.04 0.00 0.00 56.93 55.60 1t0n s PHE 30 Cb -0.01 -1.37 0.13 0.00 -1.21 0.00 0.00 43.02 40.57 1t0n s PHE 30 CO 0.02 0.54 0.95 -1.58 -1.34 0.00 0.00 175.22 173.81 1t0n s HIS 31 N -2.10 -0.62 1.14 3.49 2.46 -0.91 -1.20 115.29 117.54 1t0n s HIS 31 Ca 0.32 1.29 -0.13 0.00 0.47 0.00 0.00 55.06 57.01 1t0n s HIS 31 Cb -0.08 0.39 0.27 0.00 -0.13 0.00 0.00 32.58 33.03 1t0n s HIS 31 CO 0.23 -0.30 1.04 -1.25 -2.47 0.00 0.00 174.74 171.99 1t0n s PRO 32 N 1.10 -0.71 0.44 2.88 0.04 -1.26 -0.45 135.00 137.05 1t0n s PRO 32 Ca -0.06 0.81 0.22 0.00 0.04 0.00 0.00 61.00 62.01 1t0n s PRO 32 Cb -0.04 -1.58 1.03 0.00 0.04 0.00 0.00 34.50 33.95 1t0n s PRO 32 CO -0.13 -3.58 1.90 -1.00 0.04 0.00 0.00 177.00 174.23 1t0n h PRO 33 N -2.52 0.00 -6.47 0.56 0.13 -1.98 -3.44 132.00 118.28 1t0n h PRO 33 Ca -0.60 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.00 1t0n h PRO 33 Cb 1.33 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.49 1t0n h PRO 33 CO 0.51 0.25 1.01 -1.58 -0.23 0.00 0.00 178.00 177.96 1t0n s HIS 34 N -3.98 2.42 -0.05 1.56 5.65 -1.26 -4.96 115.29 114.67 1t0n s HIS 34 Ca -0.02 0.29 -0.19 0.00 0.25 0.00 0.00 55.06 55.39 1t0n s HIS 34 Cb 0.12 -3.99 0.04 0.00 -1.18 0.00 0.00 32.58 27.57 1t0n s HIS 34 CO 0.65 -3.99 0.43 -1.50 -0.65 0.00 0.00 174.74 169.67 1t0n s ILE 35 N 2.56 0.03 -0.17 0.89 2.07 -1.26 -4.62 121.20 120.70 1t0n s ILE 35 Ca 0.75 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 59.71 1t0n s ILE 35 Cb -0.41 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 41.48 1t0n s ILE 35 CO 0.33 -0.16 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.40 1t0n s GLU 36 N -1.06 3.05 -0.09 3.50 2.02 -0.67 -5.01 118.70 120.44 1t0n s GLU 36 Ca -0.11 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1t0n s GLU 36 Cb -0.04 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1t0n s GLU 36 CO 0.05 -0.15 -0.20 0.42 0.02 0.00 0.00 175.26 175.40 1t0n s ILE 37 N 1.16 1.79 0.09 -1.63 1.01 -1.26 -0.60 121.20 121.76 1t0n s ILE 37 Ca 0.01 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1t0n s ILE 37 Cb -0.14 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1t0n s ILE 37 CO -0.09 0.50 -0.15 -1.10 0.00 0.00 0.00 174.94 174.11 1t0n s GLN 38 N 0.49 0.92 -0.04 2.79 -0.21 -0.12 -4.99 119.66 118.49 1t0n s GLN 38 Ca -0.16 -1.07 0.06 0.00 0.02 0.00 0.00 55.36 54.20 1t0n s GLN 38 Cb -0.17 -0.90 -0.02 0.00 1.00 0.00 0.00 33.01 32.92 1t0n s GLN 38 CO 0.06 0.19 -0.21 -1.64 -2.12 0.00 0.00 175.29 171.57 1t0n s MET 39 N -2.08 2.42 0.04 2.91 -1.94 -1.26 -0.10 119.30 119.29 1t0n s MET 39 Ca 0.03 -0.84 0.09 0.00 -1.71 0.00 0.00 55.69 53.26 1t0n s MET 39 Cb -0.08 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.52 1t0n s MET 39 CO 0.03 0.52 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.79 1t0n s LEU 40 N -0.48 2.23 -0.22 -0.03 1.43 0.13 -0.66 118.68 121.07 1t0n s LEU 40 Ca 0.06 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1t0n s LEU 40 Cb -0.11 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.83 1t0n s LEU 40 CO 0.01 0.26 -0.13 -0.75 0.23 0.00 0.00 176.35 175.97 1t0n s LYS 41 N -1.25 2.38 -1.50 1.70 2.20 0.22 -1.47 119.74 122.01 1t0n s LYS 41 Ca 0.12 -1.08 -0.12 0.00 -0.36 0.00 0.00 55.97 54.53 1t0n s LYS 41 Cb -0.10 -2.68 0.08 0.00 -1.51 0.00 0.00 37.83 33.61 1t0n s LYS 41 CO 0.02 -0.44 0.89 0.09 -0.36 0.00 0.00 175.35 175.55 1t0n n ASN 42 N 4.55 -4.86 0.00 1.43 3.02 0.10 -1.43 115.26 118.07 1t0n n ASN 42 Ca -0.16 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1t0n n ASN 42 Cb 0.45 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 1t0n n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t0n n GLY 43 N -1.61 1.93 3.65 7.41 0.00 -1.26 -5.03 105.19 110.28 1t0n n GLY 43 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1t0n n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t0n s LYS 44 N -0.35 3.60 0.30 1.61 2.20 -0.51 -5.03 119.74 121.55 1t0n s LYS 44 Ca 0.00 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 1t0n s LYS 44 Cb 0.00 -3.05 -0.13 0.00 -1.51 0.00 0.00 37.83 33.14 1t0n s LYS 44 CO 0.00 0.45 1.32 1.63 -0.36 0.00 0.00 175.35 178.39 1t0n n LYS 45 N 2.97 2.06 -3.26 4.03 5.02 -1.26 -0.61 118.16 127.10 1t0n n LYS 45 Ca -0.18 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 1t0n n LYS 45 Cb 0.53 -2.33 -0.08 0.00 -0.02 0.00 0.00 35.03 33.13 1t0n n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1t0n s ILE 46 N -0.67 5.05 0.09 -0.18 1.01 0.16 -4.81 121.20 121.86 1t0n s ILE 46 Ca 0.61 0.52 -0.32 0.00 0.00 0.00 0.00 60.65 61.46 1t0n s ILE 46 Cb -0.61 -3.89 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 1t0n s ILE 46 CO 0.57 -0.08 1.61 -0.65 0.00 0.00 0.00 174.94 176.39 1t0n h PRO 47 N 8.30 -0.76 -5.60 2.79 0.11 -1.93 -3.39 132.00 131.52 1t0n h PRO 47 Ca -0.29 0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.24 1t0n h PRO 47 Cb 1.13 0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 1t0n h PRO 47 CO 0.74 -0.51 1.07 0.21 -0.21 0.00 0.00 178.00 179.30 1t0n s LYS 48 N -6.01 3.50 -0.15 1.05 2.20 -1.26 -4.97 119.74 114.11 1t0n s LYS 48 Ca -0.17 -1.27 0.00 0.00 -0.36 0.00 0.00 55.97 54.17 1t0n s LYS 48 Cb 0.05 -4.94 0.03 0.00 -1.51 0.00 0.00 37.83 31.46 1t0n s LYS 48 CO 0.63 -1.98 -0.11 0.08 -0.36 0.00 0.00 175.35 173.61 1t0n s VAL 49 N 3.99 1.42 0.26 4.02 1.01 -1.26 -4.62 120.40 125.22 1t0n s VAL 49 Ca 0.37 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1t0n s VAL 49 Cb -0.05 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1t0n s VAL 49 CO -0.05 0.37 0.67 -1.61 0.00 0.00 0.00 175.10 174.49 1t0n s GLU 50 N 1.54 4.01 -0.09 2.72 2.02 0.05 -4.90 118.70 124.05 1t0n s GLU 50 Ca 0.04 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.68 1t0n s GLU 50 Cb -0.13 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1t0n s GLU 50 CO -0.10 0.28 -0.21 -1.64 0.02 0.00 0.00 175.26 173.61 1t0n s MET 51 N -2.61 2.64 0.91 1.61 -1.94 -1.26 -1.18 119.30 117.48 1t0n s MET 51 Ca 0.48 -0.75 -0.13 0.00 -1.71 0.00 0.00 55.69 53.58 1t0n s MET 51 Cb -0.12 -2.04 0.14 0.00 2.01 0.00 0.00 34.83 34.82 1t0n s MET 51 CO 0.19 0.15 1.17 -1.54 -0.01 0.00 0.00 175.02 174.98 1t0n s SER 52 N 0.39 3.52 0.74 3.03 1.04 0.00 -5.01 113.70 117.41 1t0n s SER 52 Ca -0.17 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 1t0n s SER 52 Cb -0.17 -1.30 0.04 0.00 0.10 0.00 0.00 66.02 64.68 1t0n s SER 52 CO 0.07 -2.53 1.09 -1.81 0.98 0.00 0.00 173.24 171.04 1t0n s ASP 53 N -4.23 4.73 0.11 7.02 1.11 -1.26 -4.71 116.67 119.43 1t0n s ASP 53 Ca 0.65 1.85 -0.10 0.00 0.18 0.00 0.00 52.55 55.13 1t0n s ASP 53 Cb -0.12 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.28 1t0n s ASP 53 CO 0.52 -1.89 0.43 -0.32 1.18 0.00 0.00 175.17 175.10 1t0n s MET 54 N -4.71 3.79 0.29 8.23 1.75 -1.26 -4.69 119.30 122.69 1t0n s MET 54 Ca 0.62 0.21 0.02 0.00 -1.25 0.00 0.00 55.69 55.30 1t0n s MET 54 Cb -0.18 -2.95 -0.04 0.00 2.84 0.00 0.00 34.83 34.51 1t0n s MET 54 CO 0.52 0.52 0.14 -1.12 -0.65 0.00 0.00 175.02 174.44 1t0n s SER 55 N -1.86 1.35 0.05 1.11 0.01 -0.92 -5.00 113.70 108.45 1t0n s SER 55 Ca 0.36 -1.51 0.01 0.00 1.31 0.00 0.00 55.95 56.11 1t0n s SER 55 Cb -0.14 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 1t0n s SER 55 CO 0.19 -0.85 -0.05 0.72 0.41 0.00 0.00 173.24 173.66 1t0n s PHE 56 N -3.68 0.55 0.59 2.43 -0.12 -1.26 -0.86 117.98 115.62 1t0n s PHE 56 Ca 0.36 -0.74 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 1t0n s PHE 56 Cb 0.06 -0.36 0.09 0.00 -0.63 0.00 0.00 43.02 42.18 1t0n s PHE 56 CO 0.16 -0.21 0.81 -1.54 -0.05 0.00 0.00 175.22 174.39 1t0n s SER 57 N -2.19 5.02 0.65 1.98 1.04 0.49 -4.96 113.70 115.74 1t0n s SER 57 Ca -0.03 -0.73 0.38 0.00 0.48 0.00 0.00 55.95 56.05 1t0n s SER 57 Cb -0.02 0.17 2.11 0.00 0.10 0.00 0.00 66.02 68.37 1t0n s SER 57 CO -0.04 -1.38 2.23 0.11 0.98 0.00 0.00 173.24 175.14 1t0n h LYS 58 N 0.10 0.00 -0.47 4.02 1.57 -2.03 0.17 116.57 119.93 1t0n h LYS 58 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1t0n h LYS 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1t0n h LYS 58 CO 0.41 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.89 1t0n n ASP 59 N -3.22 2.44 0.00 0.86 5.68 -1.26 -4.92 116.55 116.13 1t0n n ASP 59 Ca -0.02 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1t0n n ASP 59 Cb 0.17 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1t0n n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1t0n n TRP 60 N 0.67 0.00 -2.42 2.11 7.02 0.58 -5.02 117.44 120.39 1t0n n TRP 60 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.27 1t0n n TRP 60 Cb 0.41 -0.03 -0.02 0.00 -2.42 0.00 0.00 31.31 29.25 1t0n n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1t0n s SER 61 N -2.75 6.29 0.45 -0.99 1.04 -1.26 -4.62 113.70 111.86 1t0n s SER 61 Ca 0.00 2.09 -0.02 0.00 0.48 0.00 0.00 55.95 58.51 1t0n s SER 61 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1t0n s SER 61 CO 0.00 -0.82 0.69 -0.36 0.98 0.00 0.00 173.24 173.73 1t0n s PHE 62 N -1.75 3.37 0.03 5.02 0.40 -0.34 -0.38 117.98 124.32 1t0n s PHE 62 Ca 0.65 0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 57.26 1t0n s PHE 62 Cb -0.22 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.07 1t0n s PHE 62 CO 0.27 -0.28 0.33 1.52 0.70 0.00 0.00 175.22 177.75 1t0n s TYR 63 N -2.59 -0.15 0.06 0.36 -0.85 -0.04 -1.97 117.35 112.16 1t0n s TYR 63 Ca 0.47 0.10 -0.26 0.00 -0.52 0.00 0.00 57.07 56.85 1t0n s TYR 63 Cb -0.10 0.12 0.07 0.00 0.38 0.00 0.00 41.96 42.42 1t0n s TYR 63 CO 0.40 -0.49 0.62 -1.50 -1.52 0.00 0.00 175.55 173.06 1t0n s ILE 64 N -2.21 0.00 -0.14 -3.49 2.07 -0.02 -2.17 121.20 115.24 1t0n s ILE 64 Ca -0.07 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 1t0n s ILE 64 Cb -0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.59 1t0n s ILE 64 CO -0.01 -0.02 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.58 1t0n s LEU 65 N -1.98 1.98 -0.00 8.50 2.96 -1.26 -1.36 118.68 127.51 1t0n s LEU 65 Ca -0.05 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1t0n s LEU 65 Cb -0.01 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1t0n s LEU 65 CO -0.02 0.04 0.01 0.00 -1.32 0.00 0.00 176.35 175.06 1t0n s ALA 66 N 1.00 3.33 0.13 5.97 0.00 -0.31 -0.82 121.76 131.06 1t0n s ALA 66 Ca -0.04 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1t0n s ALA 66 Cb -0.15 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1t0n s ALA 66 CO -0.05 0.65 0.37 -3.38 0.00 0.00 0.00 175.76 173.36 1t0n s HIS 67 N -1.10 -0.09 -0.06 0.00 -3.43 -0.33 -0.07 115.29 110.22 1t0n s HIS 67 Ca 0.20 -0.26 -0.20 0.00 -0.80 0.00 0.00 55.06 54.00 1t0n s HIS 67 Cb -0.12 0.20 0.04 0.00 -1.43 0.00 0.00 32.58 31.28 1t0n s HIS 67 CO 0.10 -0.71 0.46 -0.08 -2.00 0.00 0.00 174.74 172.52 1t0n s THR 68 N -3.84 0.03 0.26 -5.38 -1.32 -0.38 -0.77 115.64 104.24 1t0n s THR 68 Ca 0.05 -0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1t0n s THR 68 Cb 0.02 -0.74 -0.09 0.00 -1.51 0.00 0.00 72.50 70.18 1t0n s THR 68 CO -0.10 -0.12 1.07 -1.61 -2.21 0.00 0.00 174.62 171.65 1t0n s GLU 69 N -0.92 4.67 0.15 7.08 2.02 -1.26 -0.77 118.70 129.67 1t0n s GLU 69 Ca -0.10 1.73 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 1t0n s GLU 69 Cb -0.03 -3.22 0.06 0.00 0.10 0.00 0.00 34.13 31.03 1t0n s GLU 69 CO 0.05 0.25 0.53 -0.59 0.02 0.00 0.00 175.26 175.52 1t0n s PHE 70 N -1.01 -0.40 -0.33 1.61 -0.71 -0.82 -4.88 117.98 111.42 1t0n s PHE 70 Ca 0.45 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.50 1t0n s PHE 70 Cb -0.30 0.45 0.10 0.00 -1.21 0.00 0.00 43.02 42.06 1t0n s PHE 70 CO 0.38 -0.80 0.08 0.99 -1.34 0.00 0.00 175.22 174.53 1t0n s THR 71 N -3.77 1.61 0.52 -4.49 2.01 -1.26 0.15 115.64 110.40 1t0n s THR 71 Ca 0.02 -1.92 -0.23 0.00 0.31 0.00 0.00 61.69 59.87 1t0n s THR 71 Cb -0.00 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 1t0n s THR 71 CO -0.12 -0.65 1.33 -0.81 -0.69 0.00 0.00 174.62 173.68 1t0n n PRO 72 N 4.50 1.75 -4.42 4.92 -0.04 -1.26 -4.71 135.00 135.74 1t0n n PRO 72 Ca 0.01 0.64 -0.21 0.00 -0.04 0.00 0.00 63.50 63.91 1t0n n PRO 72 Cb 0.42 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.25 1t0n n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1t0n s THR 73 N -1.27 0.99 0.37 0.52 -4.23 -1.26 -0.88 115.64 109.87 1t0n s THR 73 Ca 0.69 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 1t0n s THR 73 Cb -0.44 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 70.85 1t0n s THR 73 CO 0.52 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 176.44 1t0n h GLU 74 N 2.16 0.00 -0.00 3.99 4.57 -1.97 -3.32 114.58 120.01 1t0n h GLU 74 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1t0n h GLU 74 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1t0n h GLU 74 CO 0.66 0.26 -0.22 0.25 -1.18 0.00 0.00 179.01 178.78 1t0n n THR 75 N -3.94 0.00 -2.40 0.32 -2.24 -1.26 -5.01 114.28 99.75 1t0n n THR 75 Ca -0.02 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 1t0n n THR 75 Cb 0.34 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 1t0n n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t0n s ASP 76 N -1.37 7.13 -0.12 3.42 1.01 -1.25 -5.03 116.67 120.46 1t0n s ASP 76 Ca 0.03 2.21 -0.04 0.00 0.71 0.00 0.00 52.55 55.47 1t0n s ASP 76 Cb 0.05 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1t0n s ASP 76 CO 0.21 -0.33 0.01 -0.89 0.21 0.00 0.00 175.17 174.38 1t0n s THR 77 N -0.17 4.38 0.14 -1.27 2.01 -1.26 -4.79 115.64 114.69 1t0n s THR 77 Ca 0.52 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.40 1t0n s THR 77 Cb -0.32 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1t0n s THR 77 CO 0.37 0.55 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.33 1t0n s TYR 78 N -0.39 1.90 0.18 4.92 1.51 -1.26 0.02 117.35 124.23 1t0n s TYR 78 Ca 0.08 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 1t0n s TYR 78 Cb -0.12 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1t0n s TYR 78 CO 0.02 0.30 0.51 0.00 -1.11 0.00 0.00 175.55 175.27 1t0n s ALA 79 N -1.54 -1.01 -0.08 3.71 0.00 -0.54 -0.56 121.76 121.73 1t0n s ALA 79 Ca 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1t0n s ALA 79 Cb -0.08 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1t0n s ALA 79 CO 0.06 -0.78 -0.19 0.00 0.00 0.00 0.00 175.76 174.85 1t0n s ARG 81 N 0.43 3.14 -0.09 0.00 3.52 0.86 -0.43 118.95 126.38 1t0n s ARG 81 Ca -0.16 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.66 1t0n s ARG 81 Cb -0.17 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1t0n s ARG 81 CO 0.07 0.17 -0.22 0.08 -0.81 0.00 0.00 175.30 174.59 1t0n s VAL 82 N 0.39 1.89 -0.19 7.11 1.01 0.53 -0.94 120.40 130.19 1t0n s VAL 82 Ca -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1t0n s VAL 82 Cb -0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1t0n s VAL 82 CO 0.07 0.52 -0.07 -0.54 0.00 0.00 0.00 175.10 175.08 1t0n s LYS 83 N 0.37 3.38 -0.07 2.72 1.02 0.23 -0.44 119.74 126.95 1t0n s LYS 83 Ca -0.17 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.09 1t0n s LYS 83 Cb -0.17 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1t0n s LYS 83 CO 0.08 -0.07 0.23 -1.58 -0.92 0.00 0.00 175.35 173.08 1t0n s HIS 84 N 1.13 -0.21 0.57 3.18 2.46 -1.26 -1.67 115.29 119.49 1t0n s HIS 84 Ca 0.01 0.50 0.35 0.00 0.47 0.00 0.00 55.06 56.39 1t0n s HIS 84 Cb -0.14 0.07 1.46 0.00 -0.13 0.00 0.00 32.58 33.83 1t0n s HIS 84 CO -0.02 -0.16 1.72 -0.44 -2.47 0.00 0.00 174.74 173.37 1t0n h ASP 85 N 5.46 0.00 0.94 9.88 5.19 -1.94 0.92 116.42 136.87 1t0n h ASP 85 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1t0n h ASP 85 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1t0n h ASP 85 CO 0.37 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 177.26 1t0n h SER 86 N 0.00 0.00 -4.47 6.45 4.64 -1.87 -3.44 113.55 114.86 1t0n h SER 86 Ca 0.51 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 61.14 1t0n h SER 86 Cb 2.29 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 64.09 1t0n h SER 86 CO -0.01 0.00 -0.87 -0.04 -0.87 0.00 0.00 176.83 175.05 1t0n s MET 87 N -3.32 2.21 0.36 4.77 -1.94 0.32 -4.87 119.30 116.83 1t0n s MET 87 Ca 0.05 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 1t0n s MET 87 Cb 0.10 -2.11 0.69 0.00 2.01 0.00 0.00 34.83 35.51 1t0n s MET 87 CO 0.46 0.56 1.98 0.00 -0.01 0.00 0.00 175.02 178.00 1t0n h ALA 88 N 5.50 1.53 -2.56 3.03 0.00 -1.85 -3.44 119.26 121.47 1t0n h ALA 88 Ca -0.43 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1t0n h ALA 88 Cb 1.13 -0.19 -0.17 0.00 0.00 0.00 0.00 17.79 18.56 1t0n h ALA 88 CO 0.48 0.38 -0.70 -1.83 0.00 0.00 0.00 179.25 177.58 1t0n s GLU 89 N -5.39 0.66 0.39 0.00 4.04 -1.26 -5.11 118.70 112.02 1t0n s GLU 89 Ca -0.09 -1.09 -0.27 0.00 0.04 0.00 0.00 54.97 53.56 1t0n s GLU 89 Cb 0.17 -0.12 -0.11 0.00 0.02 0.00 0.00 34.13 34.09 1t0n s GLU 89 CO 0.76 -0.02 1.39 -2.30 -1.84 0.00 0.00 175.26 173.25 1t0n n PRO 90 N 0.55 2.35 -3.86 -4.83 -0.02 -1.26 -4.86 135.00 123.07 1t0n n PRO 90 Ca -0.16 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1t0n n PRO 90 Cb 0.59 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 1t0n n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1t0n s LYS 91 N -2.11 4.06 -0.15 -0.52 2.47 0.42 -4.90 119.74 119.01 1t0n s LYS 91 Ca 0.56 -0.27 -0.02 0.00 -1.56 0.00 0.00 55.97 54.68 1t0n s LYS 91 Cb -0.50 -3.32 -0.02 0.00 -1.46 0.00 0.00 37.83 32.53 1t0n s LYS 91 CO 0.62 0.31 -0.09 0.99 0.16 0.00 0.00 175.35 177.34 1t0n s THR 92 N 0.29 3.43 -0.14 3.43 2.01 -1.26 -0.35 115.64 123.05 1t0n s THR 92 Ca 0.06 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1t0n s THR 92 Cb -0.12 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.93 1t0n s THR 92 CO -0.01 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 1t0n s VAL 93 N 0.42 1.86 0.19 3.82 1.01 0.43 -4.97 120.40 123.16 1t0n s VAL 93 Ca -0.07 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1t0n s VAL 93 Cb -0.15 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 1t0n s VAL 93 CO 0.04 0.51 0.62 -0.31 0.00 0.00 0.00 175.10 175.96 1t0n s TYR 94 N 0.99 3.59 0.01 5.22 2.02 -1.26 -0.54 117.35 127.37 1t0n s TYR 94 Ca -0.04 1.16 -0.30 0.00 -0.37 0.00 0.00 57.07 57.51 1t0n s TYR 94 Cb -0.15 -2.45 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 1t0n s TYR 94 CO -0.04 0.37 1.20 -0.46 -1.57 0.00 0.00 175.55 175.05 1t0n s TRP 95 N -1.54 3.31 -0.26 2.71 -0.00 0.27 -4.87 118.94 118.56 1t0n s TRP 95 Ca 0.41 1.25 -0.02 0.00 -0.00 0.00 0.00 56.10 57.75 1t0n s TRP 95 Cb -0.15 -3.42 0.03 0.00 -0.00 0.00 0.00 33.47 29.93 1t0n s TRP 95 CO 0.20 -1.31 -0.05 0.34 -0.00 0.00 0.00 176.95 176.13 1t0n s ASP 96 N 1.28 4.44 0.51 5.86 -1.08 -1.26 -4.75 116.67 121.67 1t0n s ASP 96 Ca 0.58 -0.96 0.30 0.00 -0.52 0.00 0.00 52.55 51.94 1t0n s ASP 96 Cb -0.27 -1.67 1.61 0.00 -1.46 0.00 0.00 42.92 41.13 1t0n s ASP 96 CO 0.26 -0.16 1.89 0.03 0.52 0.00 0.00 175.17 177.72 1t0n h ARG 97 N 8.01 0.00 -0.28 4.34 3.08 -1.95 -0.87 114.38 126.71 1t0n h ARG 97 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1t0n h ARG 97 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1t0n h ARG 97 CO 0.56 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.21 1t0n n ASP 98 N -2.62 2.77 0.00 7.04 8.00 -1.26 -4.85 116.55 125.63 1t0n n ASP 98 Ca -0.02 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.59 1t0n n ASP 98 Cb 0.16 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1t0n n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04