#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1x s GLN 2 N 0.00 1.18 -0.04 6.28 -0.21 -1.26 -4.51 119.66 121.10 1t1x s GLN 2 Ca 0.00 -1.14 -0.02 0.00 0.02 0.00 0.00 55.36 54.22 1t1x s GLN 2 Cb 0.00 -1.44 0.03 0.00 1.00 0.00 0.00 33.01 32.60 1t1x s GLN 2 CO 0.00 0.34 0.08 1.03 -2.12 0.00 0.00 175.29 174.62 1t1x s ARG 3 N -1.81 0.04 0.31 2.91 0.52 0.45 -4.91 118.95 116.46 1t1x s ARG 3 Ca 0.07 0.24 -0.28 0.00 -0.52 0.00 0.00 55.73 55.24 1t1x s ARG 3 Cb -0.10 -0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.12 1t1x s ARG 3 CO 0.04 -0.13 1.04 -0.08 0.02 0.00 0.00 175.30 176.18 1t1x s THR 4 N 0.89 3.75 0.32 0.02 -1.32 -1.26 -1.84 115.64 116.19 1t1x s THR 4 Ca -0.07 1.61 -0.28 0.00 -1.21 0.00 0.00 61.69 61.74 1t1x s THR 4 Cb -0.10 -3.97 -0.09 0.00 -1.51 0.00 0.00 72.50 66.83 1t1x s THR 4 CO -0.04 0.27 1.12 -2.16 -2.21 0.00 0.00 174.62 171.61 1t1x s PRO 5 N -1.73 4.46 0.20 7.08 0.04 -1.26 -4.32 135.00 139.47 1t1x s PRO 5 Ca 0.48 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 1t1x s PRO 5 Cb -0.27 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.20 1t1x s PRO 5 CO 0.34 0.04 0.51 0.15 0.04 0.00 0.00 177.00 178.08 1t1x s LYS 6 N -1.76 3.77 -0.02 4.56 1.02 0.17 -4.92 119.74 122.56 1t1x s LYS 6 Ca 0.49 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.72 1t1x s LYS 6 Cb -0.31 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1t1x s LYS 6 CO 0.40 0.36 -0.12 0.42 -0.92 0.00 0.00 175.35 175.49 1t1x s ILE 7 N -1.76 0.96 -0.04 2.17 -1.09 -1.26 -2.28 121.20 117.91 1t1x s ILE 7 Ca 0.45 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1t1x s ILE 7 Cb -0.12 -0.83 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 1t1x s ILE 7 CO 0.22 0.28 0.00 -1.10 -1.23 0.00 0.00 174.94 173.11 1t1x s GLN 8 N -0.04 0.35 -0.14 2.79 -0.21 -0.62 -4.99 119.66 116.79 1t1x s GLN 8 Ca 0.00 0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.48 1t1x s GLN 8 Cb -0.07 -0.57 -0.00 0.00 1.00 0.00 0.00 33.01 33.37 1t1x s GLN 8 CO 0.00 -0.16 -0.17 0.08 -2.12 0.00 0.00 175.29 172.92 1t1x s VAL 9 N 1.20 2.56 0.12 1.09 1.01 -1.26 -0.21 120.40 124.91 1t1x s VAL 9 Ca -0.07 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1t1x s VAL 9 Cb -0.13 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1t1x s VAL 9 CO -0.02 0.53 0.86 -0.72 0.00 0.00 0.00 175.10 175.75 1t1x s TYR 10 N 0.72 -0.26 0.09 5.22 1.13 -0.42 -4.55 117.35 119.29 1t1x s TYR 10 Ca -0.07 -0.00 -0.00 0.00 -1.41 0.00 0.00 57.07 55.58 1t1x s TYR 10 Cb -0.16 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1t1x s TYR 10 CO 0.01 -0.80 0.25 -1.54 -2.51 0.00 0.00 175.55 170.97 1t1x s SER 11 N -2.77 6.38 0.22 -0.18 1.04 -1.26 0.35 113.70 117.48 1t1x s SER 11 Ca 0.08 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.76 1t1x s SER 11 Cb -0.02 -1.97 0.20 0.00 0.10 0.00 0.00 66.02 64.33 1t1x s SER 11 CO -0.03 0.13 1.74 -0.09 0.98 0.00 0.00 173.24 175.97 1t1x h ARG 12 N 2.85 1.05 -6.18 4.02 2.43 -1.50 -3.44 114.38 113.60 1t1x h ARG 12 Ca -0.46 -0.25 -0.61 0.00 -0.81 0.00 0.00 59.98 57.85 1t1x h ARG 12 Cb 1.17 -0.14 -0.14 0.00 -0.42 0.00 0.00 29.97 30.44 1t1x h ARG 12 CO 0.74 0.94 -0.75 -1.01 -1.51 0.00 0.00 179.97 178.37 1t1x s HIS 13 N -5.26 2.30 0.07 2.20 3.76 -1.26 -5.04 115.29 112.05 1t1x s HIS 13 Ca -0.11 -0.35 -0.37 0.00 -0.15 0.00 0.00 55.06 54.08 1t1x s HIS 13 Cb 0.15 -1.02 -0.17 0.00 1.11 0.00 0.00 32.58 32.65 1t1x s HIS 13 CO 0.84 0.71 1.36 -2.30 -0.85 0.00 0.00 174.74 174.50 1t1x n PRO 14 N -0.64 1.15 -1.91 8.40 -0.02 -1.26 -4.84 135.00 135.89 1t1x n PRO 14 Ca -0.05 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1t1x n PRO 14 Cb 0.60 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1t1x n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t1x s ALA 15 N 0.65 3.76 -0.12 3.55 0.00 -1.26 -4.99 121.76 123.35 1t1x s ALA 15 Ca 0.85 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 54.12 1t1x s ALA 15 Cb -0.96 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 18.57 1t1x s ALA 15 CO 0.48 -0.90 0.19 -1.21 0.00 0.00 0.00 175.76 174.32 1t1x s GLU 16 N 1.62 0.09 0.24 0.00 0.41 -1.26 -5.12 118.70 114.69 1t1x s GLU 16 Ca 0.72 0.52 -0.31 0.00 -0.41 0.00 0.00 54.97 55.48 1t1x s GLU 16 Cb -0.43 -0.45 -0.13 0.00 -1.78 0.00 0.00 34.13 31.33 1t1x s GLU 16 CO 0.32 -0.38 1.37 0.09 -0.49 0.00 0.00 175.26 176.17 1t1x n ASN 17 N 5.33 2.62 0.00 -0.19 3.02 -1.26 -1.42 115.26 123.36 1t1x n ASN 17 Ca -0.05 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1t1x n ASN 17 Cb 0.50 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 1t1x n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t1x n GLY 18 N 2.01 2.67 3.51 7.41 0.00 -0.57 -5.01 105.19 115.21 1t1x n GLY 18 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1t1x n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1x s LYS 19 N -0.13 3.76 0.33 1.61 1.02 -0.51 -4.99 119.74 120.83 1t1x s LYS 19 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 1t1x s LYS 19 Cb 0.00 -3.33 -0.14 0.00 -0.52 0.00 0.00 37.83 33.85 1t1x s LYS 19 CO 0.00 -0.07 0.80 0.45 -0.92 0.00 0.00 175.35 175.60 1t1x n SER 20 N 4.59 0.26 -0.83 2.83 2.88 -1.26 -4.39 113.62 117.71 1t1x n SER 20 Ca -0.16 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1t1x n SER 20 Cb 0.52 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1t1x n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1t1x n ASN 21 N 1.25 0.00 -3.94 -3.46 2.85 0.13 -4.98 115.26 107.10 1t1x n ASN 21 Ca 0.11 -0.83 -0.20 0.00 -0.11 0.00 0.00 54.58 53.55 1t1x n ASN 21 Cb 0.34 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.20 1t1x n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1t1x s PHE 22 N -6.75 0.88 -0.23 1.20 0.40 -1.26 -0.81 117.98 111.41 1t1x s PHE 22 Ca 0.00 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 55.97 1t1x s PHE 22 Cb 0.00 -0.70 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 1t1x s PHE 22 CO 0.00 -0.17 0.18 -1.17 0.70 0.00 0.00 175.22 174.77 1t1x s LEU 23 N 0.64 4.13 0.06 -0.37 2.96 0.12 -1.12 118.68 125.11 1t1x s LEU 23 Ca -0.10 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 1t1x s LEU 23 Cb -0.13 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1t1x s LEU 23 CO 0.01 0.06 -0.15 0.20 -1.32 0.00 0.00 176.35 175.15 1t1x s ASN 24 N 0.97 4.06 -0.21 3.68 0.01 0.16 -1.65 114.94 121.95 1t1x s ASN 24 Ca 0.09 -0.41 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1t1x s ASN 24 Cb -0.13 -0.71 0.06 0.00 0.41 0.00 0.00 41.25 40.88 1t1x s ASN 24 CO 0.04 0.23 0.04 0.00 -1.51 0.00 0.00 177.10 175.89 1t1x s TYR 26 N 1.80 3.19 -0.13 0.00 5.04 0.71 -1.40 117.35 126.56 1t1x s TYR 26 Ca -0.00 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.62 1t1x s TYR 26 Cb -0.17 -2.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 1t1x s TYR 26 CO -0.10 -0.21 -0.15 0.14 -1.34 0.00 0.00 175.55 173.89 1t1x s VAL 27 N 1.73 2.85 0.28 3.14 -7.23 -0.37 -1.60 120.40 119.20 1t1x s VAL 27 Ca 0.07 -0.73 -0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1t1x s VAL 27 Cb -0.16 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1t1x s VAL 27 CO 0.09 0.53 0.39 -0.94 -0.31 0.00 0.00 175.10 174.86 1t1x s SER 28 N 0.37 0.49 -1.52 4.85 1.04 -0.97 -0.53 113.70 117.43 1t1x s SER 28 Ca -0.12 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1t1x s SER 28 Cb -0.16 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1t1x s SER 28 CO 0.06 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1t1x n GLY 29 N -0.45 1.43 3.85 7.32 0.00 -0.63 -0.65 105.19 116.07 1t1x n GLY 29 Ca 0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1t1x n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t1x s PHE 30 N -2.54 3.00 -0.28 1.61 -0.71 -1.20 -4.32 117.98 113.54 1t1x s PHE 30 Ca 0.00 -0.22 -0.20 0.00 -1.04 0.00 0.00 56.93 55.47 1t1x s PHE 30 Cb 0.00 -1.66 0.13 0.00 -1.21 0.00 0.00 43.02 40.28 1t1x s PHE 30 CO 0.00 0.30 0.96 -1.58 -1.34 0.00 0.00 175.22 173.56 1t1x s HIS 31 N -2.23 -0.59 1.24 3.49 2.46 -0.77 -1.00 115.29 117.89 1t1x s HIS 31 Ca 0.38 1.27 -0.20 0.00 0.47 0.00 0.00 55.06 56.98 1t1x s HIS 31 Cb -0.07 0.38 0.30 0.00 -0.13 0.00 0.00 32.58 33.06 1t1x s HIS 31 CO 0.26 -0.29 1.11 -1.25 -2.47 0.00 0.00 174.74 172.10 1t1x s PRO 32 N 0.90 -1.50 0.43 2.88 0.04 -1.26 -0.41 135.00 136.09 1t1x s PRO 32 Ca -0.04 -0.14 0.23 0.00 0.04 0.00 0.00 61.00 61.09 1t1x s PRO 32 Cb -0.04 -1.57 0.84 0.00 0.04 0.00 0.00 34.50 33.76 1t1x s PRO 32 CO -0.12 -3.88 1.79 0.66 0.04 0.00 0.00 177.00 175.50 1t1x h SER 33 N -2.70 0.00 -2.71 6.66 4.64 -1.99 -3.44 113.55 114.00 1t1x h SER 33 Ca -0.43 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 1t1x h SER 33 Cb 1.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 1t1x h SER 33 CO 0.31 0.24 0.97 -1.81 -0.87 0.00 0.00 176.83 175.67 1t1x s ASP 34 N -6.20 6.57 0.07 4.97 1.01 -1.26 -4.95 116.67 116.87 1t1x s ASP 34 Ca 0.01 2.56 -0.22 0.00 0.71 0.00 0.00 52.55 55.62 1t1x s ASP 34 Cb 0.10 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.51 1t1x s ASP 34 CO 0.64 -0.88 0.51 -0.51 0.21 0.00 0.00 175.17 175.15 1t1x s ILE 35 N 2.14 0.03 -0.15 0.77 -1.16 -1.26 -4.68 121.20 116.90 1t1x s ILE 35 Ca 0.73 -0.26 0.01 0.00 -0.51 0.00 0.00 60.65 60.62 1t1x s ILE 35 Cb -0.42 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 41.67 1t1x s ILE 35 CO 0.32 -0.15 -0.18 -0.70 -2.81 0.00 0.00 174.94 171.43 1t1x s GLU 36 N -2.75 2.63 -0.09 3.50 2.12 -0.63 -5.01 118.70 118.47 1t1x s GLU 36 Ca -0.04 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1t1x s GLU 36 Cb -0.00 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 32.14 1t1x s GLU 36 CO -0.04 -0.15 -0.08 0.08 -0.54 0.00 0.00 175.26 174.52 1t1x s VAL 37 N 1.21 0.96 0.02 3.70 1.01 -1.26 -1.02 120.40 125.02 1t1x s VAL 37 Ca 0.01 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1t1x s VAL 37 Cb -0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1t1x s VAL 37 CO -0.08 0.34 -0.19 -1.81 0.00 0.00 0.00 175.10 173.36 1t1x s ASP 38 N 1.39 2.25 -0.13 3.32 1.01 -0.04 -4.98 116.67 119.49 1t1x s ASP 38 Ca -0.02 -0.44 -0.08 0.00 0.71 0.00 0.00 52.55 52.72 1t1x s ASP 38 Cb -0.14 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.55 1t1x s ASP 38 CO -0.04 0.17 0.15 -0.76 0.21 0.00 0.00 175.17 174.90 1t1x s LEU 39 N -0.88 4.36 0.14 1.23 1.43 -1.26 -0.05 118.68 123.65 1t1x s LEU 39 Ca 0.07 0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.71 1t1x s LEU 39 Cb -0.08 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1t1x s LEU 39 CO 0.01 0.36 -0.22 -0.76 0.23 0.00 0.00 176.35 175.97 1t1x s LEU 40 N -0.75 2.52 -0.20 1.79 1.43 0.11 -1.29 118.68 122.28 1t1x s LEU 40 Ca 0.14 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1t1x s LEU 40 Cb -0.12 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.81 1t1x s LEU 40 CO 0.03 0.16 -0.03 -0.75 0.23 0.00 0.00 176.35 175.99 1t1x s LYS 41 N -2.28 1.31 -1.40 1.70 2.20 0.94 -2.26 119.74 119.94 1t1x s LYS 41 Ca 0.18 -0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1t1x s LYS 41 Cb -0.10 -2.30 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1t1x s LYS 41 CO 0.09 -0.56 0.68 0.09 -0.36 0.00 0.00 175.35 175.28 1t1x n ASN 42 N 4.83 -1.73 0.00 1.43 3.02 0.19 -1.43 115.26 121.58 1t1x n ASN 42 Ca -0.11 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1t1x n ASN 42 Cb 0.46 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 1t1x n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t1x n GLY 43 N -1.71 3.04 3.85 7.41 0.00 -1.26 -5.01 105.19 111.50 1t1x n GLY 43 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1t1x n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t1x s GLU 44 N -0.14 3.77 0.32 1.61 2.12 -0.51 -4.99 118.70 120.89 1t1x s GLU 44 Ca 0.00 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 1t1x s GLU 44 Cb 0.00 -3.21 -0.10 0.00 0.26 0.00 0.00 34.13 31.08 1t1x s GLU 44 CO 0.00 0.71 1.35 0.50 -0.54 0.00 0.00 175.26 177.28 1t1x s ARG 45 N -1.09 4.31 -0.17 4.30 3.52 -1.26 -0.04 118.95 128.52 1t1x s ARG 45 Ca 0.21 2.27 -0.15 0.00 -0.13 0.00 0.00 55.73 57.94 1t1x s ARG 45 Cb -0.15 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1t1x s ARG 45 CO 0.11 -0.27 0.34 0.42 -0.81 0.00 0.00 175.30 175.09 1t1x s ILE 46 N -0.95 5.26 -0.04 4.11 1.01 -0.41 -4.87 121.20 125.31 1t1x s ILE 46 Ca 0.51 0.63 -0.26 0.00 0.00 0.00 0.00 60.65 61.53 1t1x s ILE 46 Cb -0.41 -3.68 -0.21 0.00 0.01 0.00 0.00 42.46 38.17 1t1x s ILE 46 CO 0.53 0.33 1.16 -0.33 0.00 0.00 0.00 174.94 176.63 1t1x h GLU 47 N 6.96 0.05 -4.03 2.79 4.39 -1.95 -3.38 114.58 119.41 1t1x h GLU 47 Ca -0.39 -0.04 -0.69 0.00 0.34 0.00 0.00 59.36 58.58 1t1x h GLU 47 Cb 1.17 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1t1x h GLU 47 CO 0.74 0.65 2.98 1.63 -1.16 0.00 0.00 179.01 183.85 1t1x n LYS 48 N -4.75 2.58 -5.20 2.33 4.76 -1.26 -4.88 118.16 111.74 1t1x n LYS 48 Ca -0.09 -2.38 -0.32 0.00 -2.87 0.00 0.00 58.31 52.66 1t1x n LYS 48 Cb 0.33 -3.16 -0.16 0.00 -1.84 0.00 0.00 35.03 30.20 1t1x n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t1x s VAL 49 N 3.55 2.18 0.42 -0.18 1.01 -1.26 -4.64 120.40 121.48 1t1x s VAL 49 Ca 0.51 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1t1x s VAL 49 Cb 0.14 -1.81 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1t1x s VAL 49 CO -0.04 0.57 0.01 -1.61 0.00 0.00 0.00 175.10 174.03 1t1x s GLU 50 N -0.06 1.98 0.03 2.72 2.02 -0.74 -4.96 118.70 119.70 1t1x s GLU 50 Ca -0.06 -2.14 -0.11 0.00 0.02 0.00 0.00 54.97 52.68 1t1x s GLU 50 Cb -0.15 -1.58 0.01 0.00 0.10 0.00 0.00 34.13 32.51 1t1x s GLU 50 CO 0.05 -0.10 0.23 -3.38 0.02 0.00 0.00 175.26 172.07 1t1x s HIS 51 N -2.76 -0.00 0.93 1.61 -3.43 -1.26 -0.97 115.29 109.40 1t1x s HIS 51 Ca 0.31 -0.17 -0.12 0.00 -0.80 0.00 0.00 55.06 54.28 1t1x s HIS 51 Cb 0.09 0.01 0.15 0.00 -1.43 0.00 0.00 32.58 31.39 1t1x s HIS 51 CO 0.16 -0.44 1.10 -1.54 -2.00 0.00 0.00 174.74 172.02 1t1x s SER 52 N -1.98 3.28 0.19 7.38 1.04 -0.40 -4.98 113.70 118.22 1t1x s SER 52 Ca -0.06 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.32 1t1x s SER 52 Cb -0.02 -1.91 -0.08 0.00 0.10 0.00 0.00 66.02 64.11 1t1x s SER 52 CO -0.03 -2.73 1.10 -1.81 0.98 0.00 0.00 173.24 170.75 1t1x s ASP 53 N -3.61 7.26 -0.08 7.02 1.01 -1.26 -4.73 116.67 122.28 1t1x s ASP 53 Ca 0.64 2.11 -0.38 0.00 0.71 0.00 0.00 52.55 55.63 1t1x s ASP 53 Cb -0.17 -2.61 -0.16 0.00 1.01 0.00 0.00 42.92 41.00 1t1x s ASP 53 CO 0.56 -0.21 1.57 -0.11 0.21 0.00 0.00 175.17 177.19 1t1x n LEU 54 N 2.25 2.21 -4.22 1.23 7.94 -1.26 -4.96 117.00 120.18 1t1x n LEU 54 Ca 0.02 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.85 1t1x n LEU 54 Cb 0.46 -1.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.13 1t1x n LEU 54 CO 0.54 -0.65 -0.12 -0.55 -1.11 0.00 0.00 177.39 175.50 1t1x s SER 55 N 2.11 0.94 0.14 1.96 0.15 -1.24 -5.05 113.70 112.72 1t1x s SER 55 Ca 0.91 -1.55 -0.10 0.00 0.70 0.00 0.00 55.95 55.91 1t1x s SER 55 Cb -0.96 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1t1x s SER 55 CO 0.55 -1.01 0.28 0.72 1.20 0.00 0.00 173.24 174.97 1t1x s PHE 56 N -3.69 0.27 0.74 3.44 -0.12 -1.26 -1.64 117.98 115.72 1t1x s PHE 56 Ca 0.38 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 1t1x s PHE 56 Cb 0.04 -0.01 0.14 0.00 -0.63 0.00 0.00 43.02 42.55 1t1x s PHE 56 CO 0.20 -0.69 1.01 -1.12 -0.05 0.00 0.00 175.22 174.58 1t1x s SER 57 N -2.93 4.23 0.26 1.98 0.01 0.20 -4.92 113.70 112.54 1t1x s SER 57 Ca 0.13 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 1t1x s SER 57 Cb 0.03 0.21 0.55 0.00 0.21 0.00 0.00 66.02 67.03 1t1x s SER 57 CO -0.04 -1.96 1.71 0.50 0.41 0.00 0.00 173.24 173.86 1t1x h LYS 58 N -0.57 0.38 0.00 12.44 1.63 -2.03 0.19 116.57 128.61 1t1x h LYS 58 Ca -0.34 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1t1x h LYS 58 Cb 1.26 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1t1x h LYS 58 CO 0.37 0.25 0.00 -0.40 -3.45 0.00 0.00 179.45 176.22 1t1x n ASP 59 N -5.05 0.00 0.00 4.20 5.75 -1.26 -4.89 116.55 115.30 1t1x n ASP 59 Ca 0.17 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1t1x n ASP 59 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1t1x n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1t1x n TRP 60 N -0.57 0.00 -2.34 2.11 7.02 0.67 -5.02 117.44 119.31 1t1x n TRP 60 Ca 0.03 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.13 1t1x n TRP 60 Cb 0.02 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 28.81 1t1x n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1t1x s SER 61 N -3.54 6.67 0.52 -0.99 1.04 -1.26 -4.63 113.70 111.51 1t1x s SER 61 Ca 0.00 2.31 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 1t1x s SER 61 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1t1x s SER 61 CO 0.00 -0.57 0.91 -0.36 0.98 0.00 0.00 173.24 174.20 1t1x s PHE 62 N -1.40 3.55 -0.03 5.02 0.08 -0.17 -0.63 117.98 124.41 1t1x s PHE 62 Ca 0.55 1.15 -0.06 0.00 0.12 0.00 0.00 56.93 58.69 1t1x s PHE 62 Cb -0.30 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1t1x s PHE 62 CO 0.38 -0.41 0.14 1.52 -0.10 0.00 0.00 175.22 176.75 1t1x s TYR 63 N -2.81 -0.06 -0.07 0.36 1.13 -0.65 -1.60 117.35 113.65 1t1x s TYR 63 Ca 0.53 0.14 -0.09 0.00 -1.41 0.00 0.00 57.07 56.24 1t1x s TYR 63 Cb -0.10 0.00 0.02 0.00 -1.10 0.00 0.00 41.96 40.78 1t1x s TYR 63 CO 0.43 -0.18 0.23 -0.51 -2.51 0.00 0.00 175.55 173.02 1t1x s LEU 64 N -0.62 1.13 -0.23 -3.49 1.43 0.31 -3.59 118.68 113.63 1t1x s LEU 64 Ca -0.07 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1t1x s LEU 64 Cb -0.04 0.83 -0.00 0.00 0.03 0.00 0.00 46.19 47.01 1t1x s LEU 64 CO 0.01 -0.15 -0.03 -0.22 0.23 0.00 0.00 176.35 176.18 1t1x s LEU 65 N -0.20 3.01 -0.12 1.79 2.96 -1.26 -1.24 118.68 123.62 1t1x s LEU 65 Ca -0.03 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1t1x s LEU 65 Cb -0.03 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1t1x s LEU 65 CO 0.01 -0.04 0.05 -0.31 -1.32 0.00 0.00 176.35 174.74 1t1x s TYR 66 N 1.47 3.30 0.07 5.38 1.51 -0.50 -1.28 117.35 127.31 1t1x s TYR 66 Ca 0.05 0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 56.23 1t1x s TYR 66 Cb -0.15 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1t1x s TYR 66 CO -0.03 0.46 0.27 1.52 -1.11 0.00 0.00 175.55 176.66 1t1x s TYR 67 N -0.60 -0.02 -0.12 2.71 1.13 -0.14 -0.91 117.35 119.39 1t1x s TYR 67 Ca 0.11 -0.25 -0.18 0.00 -1.41 0.00 0.00 57.07 55.34 1t1x s TYR 67 Cb -0.12 0.06 0.04 0.00 -1.10 0.00 0.00 41.96 40.85 1t1x s TYR 67 CO 0.02 -0.54 0.46 -0.08 -2.51 0.00 0.00 175.55 172.90 1t1x s THR 68 N -3.21 0.02 0.18 -3.49 -1.32 -0.66 -1.79 115.64 105.37 1t1x s THR 68 Ca -0.00 -0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.05 1t1x s THR 68 Cb 0.02 -0.70 -0.08 0.00 -1.51 0.00 0.00 72.50 70.23 1t1x s THR 68 CO -0.07 -0.07 1.13 -0.70 -2.21 0.00 0.00 174.62 172.69 1t1x s GLU 69 N -0.37 4.56 0.23 7.08 2.56 -1.26 0.14 118.70 131.63 1t1x s GLU 69 Ca -0.05 1.76 -0.14 0.00 0.00 0.00 0.00 54.97 56.54 1t1x s GLU 69 Cb -0.03 -3.27 0.01 0.00 2.00 0.00 0.00 34.13 32.84 1t1x s GLU 69 CO 0.03 0.03 0.49 -0.59 -0.56 0.00 0.00 175.26 174.66 1t1x s PHE 70 N -0.19 0.19 -0.30 5.30 -0.71 0.01 -4.87 117.98 117.41 1t1x s PHE 70 Ca 0.50 -0.55 0.01 0.00 -1.04 0.00 0.00 56.93 55.85 1t1x s PHE 70 Cb -0.30 0.26 0.09 0.00 -1.21 0.00 0.00 43.02 41.86 1t1x s PHE 70 CO 0.35 -0.96 0.05 0.99 -1.34 0.00 0.00 175.22 174.31 1t1x s THR 71 N -3.96 1.46 0.51 -4.49 2.01 -1.26 0.17 115.64 110.07 1t1x s THR 71 Ca 0.17 -1.64 -0.22 0.00 0.31 0.00 0.00 61.69 60.30 1t1x s THR 71 Cb -0.01 -2.01 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 1t1x s THR 71 CO 0.05 -0.51 1.30 -2.16 -0.69 0.00 0.00 174.62 172.60 1t1x s PRO 72 N 1.34 3.41 0.39 4.92 0.04 -1.26 -4.79 135.00 139.05 1t1x s PRO 72 Ca 0.06 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1t1x s PRO 72 Cb -0.18 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1t1x s PRO 72 CO -0.15 -0.93 0.13 0.95 0.04 0.00 0.00 177.00 177.04 1t1x s THR 73 N -1.37 0.60 0.17 1.26 -4.23 -1.26 -1.51 115.64 109.30 1t1x s THR 73 Ca 0.68 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.29 1t1x s THR 73 Cb -0.37 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 1t1x s THR 73 CO 0.44 0.00 1.47 -0.08 -0.54 0.00 0.00 174.62 175.92 1t1x h GLU 74 N 1.85 0.00 0.00 3.99 4.81 -1.98 -3.38 114.58 119.87 1t1x h GLU 74 Ca -0.35 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.66 1t1x h GLU 74 Cb 1.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 1t1x h GLU 74 CO 0.57 0.75 -1.39 0.36 -0.73 0.00 0.00 179.01 178.56 1t1x n LYS 75 N -3.55 0.54 -1.55 1.92 2.85 -1.26 -4.97 118.16 112.13 1t1x n LYS 75 Ca -0.00 0.45 -0.50 0.00 -1.05 0.00 0.00 58.31 57.22 1t1x n LYS 75 Cb 0.75 -1.64 -0.04 0.00 -0.65 0.00 0.00 35.03 33.44 1t1x n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t1x n ASP 76 N -4.43 0.96 -4.64 -5.58 8.00 -1.26 -4.98 116.55 104.63 1t1x n ASP 76 Ca -0.31 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.01 1t1x n ASP 76 Cb 0.63 -1.16 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1t1x n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t1x s GLU 77 N -0.45 2.73 0.06 -1.24 0.41 -1.26 -4.69 118.70 114.25 1t1x s GLU 77 Ca 0.73 -0.61 0.06 0.00 -0.41 0.00 0.00 54.97 54.74 1t1x s GLU 77 Cb -0.89 -2.62 -0.03 0.00 -1.78 0.00 0.00 34.13 28.81 1t1x s GLU 77 CO 0.53 0.64 -0.16 0.71 -0.49 0.00 0.00 175.26 176.49 1t1x s TYR 78 N -0.98 1.38 0.21 1.61 2.02 -1.26 -0.63 117.35 119.70 1t1x s TYR 78 Ca 0.17 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.28 1t1x s TYR 78 Cb -0.11 -0.79 0.03 0.00 -0.40 0.00 0.00 41.96 40.68 1t1x s TYR 78 CO 0.07 0.07 0.57 0.00 -1.57 0.00 0.00 175.55 174.69 1t1x s ALA 79 N -1.02 -1.00 -0.10 3.71 0.00 -0.96 0.11 121.76 122.48 1t1x s ALA 79 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1t1x s ALA 79 Cb -0.09 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1t1x s ALA 79 CO 0.02 -0.86 -0.20 0.00 0.00 0.00 0.00 175.76 174.72 1t1x s ARG 81 N 0.24 3.50 -0.08 0.00 3.52 0.93 -1.01 118.95 126.05 1t1x s ARG 81 Ca -0.13 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1t1x s ARG 81 Cb -0.16 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1t1x s ARG 81 CO 0.07 0.00 -0.20 0.08 -0.81 0.00 0.00 175.30 174.44 1t1x s VAL 82 N 0.97 1.70 -0.05 7.11 1.01 0.11 -0.86 120.40 130.39 1t1x s VAL 82 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1t1x s VAL 82 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1t1x s VAL 82 CO 0.01 0.48 -0.17 0.21 0.00 0.00 0.00 175.10 175.63 1t1x s ASN 83 N 0.35 2.18 0.09 3.32 2.47 -0.19 0.19 114.94 123.34 1t1x s ASN 83 Ca -0.14 -0.36 -0.12 0.00 0.42 0.00 0.00 52.86 52.65 1t1x s ASN 83 Cb -0.16 -0.74 0.01 0.00 -1.45 0.00 0.00 41.25 38.92 1t1x s ASN 83 CO 0.06 0.13 0.28 -2.28 -3.72 0.00 0.00 177.10 171.57 1t1x s HIS 84 N 0.20 -0.02 0.37 0.43 5.65 -1.26 -1.60 115.29 119.06 1t1x s HIS 84 Ca -0.08 -0.29 0.11 0.00 0.25 0.00 0.00 55.06 55.06 1t1x s HIS 84 Cb -0.13 0.08 0.89 0.00 -1.18 0.00 0.00 32.58 32.23 1t1x s HIS 84 CO 0.03 -0.57 1.87 -0.24 -0.65 0.00 0.00 174.74 175.18 1t1x h VAL 85 N 2.79 0.80 0.00 0.89 3.04 -1.96 0.10 116.25 121.91 1t1x h VAL 85 Ca -0.33 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1t1x h VAL 85 Cb 1.22 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1t1x h VAL 85 CO 0.50 0.11 0.00 0.35 -1.01 0.00 0.00 177.57 177.53 1t1x n THR 86 N -4.55 0.70 -3.91 3.17 -2.24 -1.26 -4.74 114.28 101.44 1t1x n THR 86 Ca 0.17 0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.78 1t1x n THR 86 Cb 0.52 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 1t1x n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1t1x s LEU 87 N -2.88 3.86 0.30 3.22 1.43 0.36 -4.98 118.68 119.98 1t1x s LEU 87 Ca 0.11 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1t1x s LEU 87 Cb 0.12 -1.99 0.46 0.00 0.03 0.00 0.00 46.19 44.80 1t1x s LEU 87 CO 0.31 0.14 1.85 0.28 0.23 0.00 0.00 176.35 179.16 1t1x h SER 88 N 6.94 0.71 -5.12 2.29 0.02 -1.85 -3.44 113.55 113.11 1t1x h SER 88 Ca -0.37 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.35 1t1x h SER 88 Cb 1.17 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 63.36 1t1x h SER 88 CO 0.69 0.70 -0.44 0.00 -1.14 0.00 0.00 176.83 176.64 1t1x s GLN 89 N -5.20 0.71 0.16 3.45 -2.07 -1.26 -5.13 119.66 110.33 1t1x s GLN 89 Ca -0.09 -0.82 -0.34 0.00 -1.82 0.00 0.00 55.36 52.29 1t1x s GLN 89 Cb 0.16 0.29 -0.14 0.00 -1.09 0.00 0.00 33.01 32.22 1t1x s GLN 89 CO 0.79 -0.20 1.47 -2.30 -1.32 0.00 0.00 175.29 173.73 1t1x n PRO 90 N 0.41 1.85 -3.55 9.60 -0.02 -1.26 -4.91 135.00 137.12 1t1x n PRO 90 Ca -0.17 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1t1x n PRO 90 Cb 0.60 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1t1x n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1t1x s LYS 91 N 0.49 3.86 -0.11 -0.52 2.20 0.13 -4.89 119.74 120.90 1t1x s LYS 91 Ca 0.78 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 56.74 1t1x s LYS 91 Cb -0.74 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1t1x s LYS 91 CO 0.43 0.70 -0.15 0.42 -0.36 0.00 0.00 175.35 176.38 1t1x s ILE 92 N -1.04 1.48 -0.23 5.43 1.01 -1.26 0.08 121.20 126.67 1t1x s ILE 92 Ca 0.22 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1t1x s ILE 92 Cb -0.16 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 40.99 1t1x s ILE 92 CO 0.12 0.44 -0.12 -0.69 0.00 0.00 0.00 174.94 174.68 1t1x s VAL 93 N 0.96 2.40 0.37 2.92 1.01 -0.18 -4.96 120.40 122.92 1t1x s VAL 93 Ca -0.07 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.51 1t1x s VAL 93 Cb -0.15 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1t1x s VAL 93 CO -0.01 0.26 1.02 -0.75 0.00 0.00 0.00 175.10 175.63 1t1x s LYS 94 N 1.25 4.31 0.07 2.72 2.36 -1.26 -0.62 119.74 128.57 1t1x s LYS 94 Ca -0.00 1.47 -0.30 0.00 -2.55 0.00 0.00 55.97 54.58 1t1x s LYS 94 Cb -0.16 -2.64 -0.05 0.00 -1.05 0.00 0.00 37.83 33.92 1t1x s LYS 94 CO -0.08 0.00 1.13 -0.46 1.55 0.00 0.00 175.35 177.49 1t1x s TRP 95 N -1.63 3.52 -0.17 4.03 -0.00 0.12 -4.90 118.94 119.90 1t1x s TRP 95 Ca 0.55 1.45 0.01 0.00 -0.00 0.00 0.00 56.10 58.10 1t1x s TRP 95 Cb -0.21 -3.32 0.02 0.00 -0.00 0.00 0.00 33.47 29.95 1t1x s TRP 95 CO 0.27 -0.87 -0.19 0.34 -0.00 0.00 0.00 176.95 176.50 1t1x s ASP 96 N 0.83 3.06 0.49 5.86 -1.08 -1.26 -4.79 116.67 119.78 1t1x s ASP 96 Ca 0.55 -0.62 0.22 0.00 -0.52 0.00 0.00 52.55 52.18 1t1x s ASP 96 Cb -0.28 -1.43 1.27 0.00 -1.46 0.00 0.00 42.92 41.02 1t1x s ASP 96 CO 0.30 -0.01 1.95 0.03 0.52 0.00 0.00 175.17 177.96 1t1x h ARG 97 N 7.95 0.16 -0.58 4.34 3.08 -1.95 -2.02 114.38 125.36 1t1x h ARG 97 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1t1x h ARG 97 Cb 1.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1t1x h ARG 97 CO 0.62 0.11 0.00 -0.25 -1.07 0.00 0.00 179.97 179.38 1t1x n ASP 98 N -4.41 2.81 0.00 7.04 8.00 -1.26 -4.77 116.55 123.96 1t1x n ASP 98 Ca 0.13 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.38 1t1x n ASP 98 Cb 0.61 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1t1x n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04