#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d31 s GLN 2 N 0.00 0.09 -0.07 9.51 -0.21 -1.26 -4.66 119.66 123.06 2d31 s GLN 2 Ca 0.00 0.54 0.01 0.00 0.02 0.00 0.00 55.36 55.93 2d31 s GLN 2 Cb 0.00 -0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.84 2d31 s GLN 2 CO 0.00 -0.25 -0.09 1.03 -2.12 0.00 0.00 175.29 173.87 2d31 s ARG 3 N 1.88 1.41 0.25 2.91 0.52 -1.05 -4.99 118.95 119.88 2d31 s ARG 3 Ca -0.02 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2d31 s ARG 3 Cb -0.12 -1.30 -0.09 0.00 0.52 0.00 0.00 34.95 33.96 2d31 s ARG 3 CO -0.07 -0.09 1.13 0.99 0.02 0.00 0.00 175.30 177.29 2d31 s THR 4 N 1.04 3.51 0.21 0.02 2.01 -1.26 -2.01 115.64 119.16 2d31 s THR 4 Ca -0.08 1.43 -0.32 0.00 0.31 0.00 0.00 61.69 63.04 2d31 s THR 4 Cb -0.14 -3.91 -0.15 0.00 0.01 0.00 0.00 72.50 68.31 2d31 s THR 4 CO -0.00 0.31 1.23 -0.81 -0.69 0.00 0.00 174.62 174.65 2d31 n PRO 5 N 1.60 1.50 -3.30 4.92 -0.04 -1.26 -4.50 135.00 133.92 2d31 n PRO 5 Ca 0.01 0.53 -0.46 0.00 -0.04 0.00 0.00 63.50 63.54 2d31 n PRO 5 Cb 0.45 -2.07 -0.05 0.00 -0.04 0.00 0.00 33.50 31.78 2d31 n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2d31 s LYS 6 N -0.54 2.99 0.44 0.54 1.02 0.17 -4.86 119.74 119.49 2d31 s LYS 6 Ca 0.70 -1.67 -0.22 0.00 0.02 0.00 0.00 55.97 54.80 2d31 s LYS 6 Cb -0.76 -4.29 -0.10 0.00 -0.52 0.00 0.00 37.83 32.16 2d31 s LYS 6 CO 0.52 -1.33 1.00 0.42 -0.92 0.00 0.00 175.35 175.05 2d31 s ILE 7 N 1.67 4.01 -0.21 2.17 1.01 -1.26 -2.24 121.20 126.35 2d31 s ILE 7 Ca 0.04 1.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.95 2d31 s ILE 7 Cb -0.29 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.68 2d31 s ILE 7 CO 0.03 -0.19 0.45 -1.58 0.00 0.00 0.00 174.94 173.65 2d31 s GLN 8 N -2.98 0.37 -0.27 2.79 0.74 -1.23 -4.98 119.66 114.11 2d31 s GLN 8 Ca 0.62 1.05 0.01 0.00 0.05 0.00 0.00 55.36 57.09 2d31 s GLN 8 Cb -0.15 0.33 0.07 0.00 1.10 0.00 0.00 33.01 34.36 2d31 s GLN 8 CO 0.19 -0.23 -0.02 0.54 -0.55 0.00 0.00 175.29 175.22 2d31 s VAL 9 N 2.44 1.68 0.10 1.34 0.11 -1.26 -0.60 120.40 124.21 2d31 s VAL 9 Ca -0.03 -1.51 -0.11 0.00 -2.93 0.00 0.00 61.98 57.39 2d31 s VAL 9 Cb -0.11 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.73 2d31 s VAL 9 CO -0.14 -0.26 0.26 -0.47 -3.33 0.00 0.00 175.10 171.16 2d31 s TYR 10 N 1.29 0.04 0.85 1.54 6.04 0.22 -4.50 117.35 122.83 2d31 s TYR 10 Ca -0.01 -0.44 -0.11 0.00 0.04 0.00 0.00 57.07 56.55 2d31 s TYR 10 Cb -0.19 0.04 0.10 0.00 -1.04 0.00 0.00 41.96 40.87 2d31 s TYR 10 CO -0.09 -0.59 1.09 -1.54 -1.54 0.00 0.00 175.55 172.88 2d31 s SER 11 N -2.84 3.80 -0.02 4.32 1.04 -1.26 -0.37 113.70 118.37 2d31 s SER 11 Ca 0.04 1.68 -0.23 0.00 0.48 0.00 0.00 55.95 57.92 2d31 s SER 11 Cb 0.04 -2.35 -0.20 0.00 0.10 0.00 0.00 66.02 63.61 2d31 s SER 11 CO -0.11 -2.46 1.18 -0.09 0.98 0.00 0.00 173.24 172.74 2d31 h ARG 12 N -1.43 0.19 -6.54 4.02 9.65 -0.92 -3.45 114.38 115.91 2d31 h ARG 12 Ca -0.47 -0.14 -0.64 0.00 -1.10 0.00 0.00 59.98 57.63 2d31 h ARG 12 Cb 1.26 0.02 -0.16 0.00 -1.39 0.00 0.00 29.97 29.70 2d31 h ARG 12 CO 0.52 0.77 -0.77 -1.01 2.80 0.00 0.00 179.97 182.28 2d31 s HIS 13 N -3.75 2.53 -0.32 2.20 3.76 -1.26 -5.02 115.29 113.43 2d31 s HIS 13 Ca -0.15 -0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.20 2d31 s HIS 13 Cb 0.02 -1.26 -0.12 0.00 1.11 0.00 0.00 32.58 32.33 2d31 s HIS 13 CO 0.73 0.48 1.10 -2.30 -0.85 0.00 0.00 174.74 173.90 2d31 n PRO 14 N 0.25 0.00 -1.98 8.40 -0.02 -1.26 -4.76 135.00 135.63 2d31 n PRO 14 Ca -0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 2d31 n PRO 14 Cb 0.55 -0.95 -0.03 0.00 -0.02 0.00 0.00 33.50 33.06 2d31 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2d31 s ALA 15 N 2.37 3.44 -0.29 3.55 0.00 -1.26 -4.97 121.76 124.60 2d31 s ALA 15 Ca 0.69 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.49 2d31 s ALA 15 Cb -0.95 -3.81 0.08 0.00 0.00 0.00 0.00 23.12 18.44 2d31 s ALA 15 CO 0.49 -1.70 -0.03 -2.00 0.00 0.00 0.00 175.76 172.53 2d31 s GLU 16 N 4.46 1.80 -0.26 0.00 2.12 -1.26 -5.08 118.70 120.48 2d31 s GLU 16 Ca 0.76 -1.54 -0.41 0.00 0.36 0.00 0.00 54.97 54.14 2d31 s GLU 16 Cb -0.32 -2.97 -0.17 0.00 0.26 0.00 0.00 34.13 30.93 2d31 s GLU 16 CO 0.31 -0.75 1.64 0.09 -0.54 0.00 0.00 175.26 176.01 2d31 n ASN 17 N 4.39 1.98 0.00 -1.70 3.02 -1.26 -0.68 115.26 121.01 2d31 n ASN 17 Ca -0.06 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2d31 n ASN 17 Cb 0.42 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 2d31 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d31 n GLY 18 N 3.84 3.11 3.73 7.41 0.00 0.13 -4.99 105.19 118.41 2d31 n GLY 18 Ca 0.26 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2d31 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d31 s LYS 19 N 0.00 4.52 0.42 1.61 3.01 0.15 -4.82 119.74 124.63 2d31 s LYS 19 Ca 0.00 1.73 -0.26 0.00 -1.01 0.00 0.00 55.97 56.42 2d31 s LYS 19 Cb 0.00 -3.31 -0.10 0.00 -1.01 0.00 0.00 37.83 33.41 2d31 s LYS 19 CO 0.00 -0.08 1.45 0.45 0.51 0.00 0.00 175.35 177.68 2d31 n SER 20 N 3.09 3.47 -1.90 2.83 2.88 -1.26 -4.09 113.62 118.64 2d31 n SER 20 Ca 0.05 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.69 2d31 n SER 20 Cb 0.46 -1.60 -0.03 0.00 -0.75 0.00 0.00 64.21 62.29 2d31 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2d31 n ASN 21 N 0.10 -0.41 -4.41 -3.46 2.85 -0.56 -4.98 115.26 104.39 2d31 n ASN 21 Ca 0.04 -1.88 -0.31 0.00 -0.11 0.00 0.00 54.58 52.32 2d31 n ASN 21 Cb 0.40 0.85 -0.14 0.00 1.24 0.00 0.00 39.78 42.14 2d31 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2d31 s PHE 22 N -3.18 2.46 -0.31 1.20 0.40 -1.26 -2.48 117.98 114.81 2d31 s PHE 22 Ca 0.15 -0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.08 2d31 s PHE 22 Cb 0.00 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.10 2d31 s PHE 22 CO 0.11 0.19 0.12 -1.17 0.70 0.00 0.00 175.22 175.17 2d31 s LEU 23 N -1.31 4.07 -0.09 -0.37 0.20 0.09 -0.13 118.68 121.14 2d31 s LEU 23 Ca 0.13 -0.74 -0.04 0.00 0.69 0.00 0.00 54.13 54.18 2d31 s LEU 23 Cb -0.10 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 2d31 s LEU 23 CO 0.04 -0.23 0.05 0.20 -0.29 0.00 0.00 176.35 176.12 2d31 s ASN 24 N 1.53 5.67 -0.14 3.68 0.02 0.50 -2.46 114.94 123.74 2d31 s ASN 24 Ca 0.03 0.26 -0.00 0.00 -1.02 0.00 0.00 52.86 52.12 2d31 s ASN 24 Cb -0.18 -1.69 0.03 0.00 0.02 0.00 0.00 41.25 39.43 2d31 s ASN 24 CO 0.04 0.38 -0.10 0.00 0.02 0.00 0.00 177.10 177.45 2d31 s TYR 26 N 1.61 3.37 0.05 0.00 2.02 0.23 -1.33 117.35 123.30 2d31 s TYR 26 Ca 0.04 -3.16 -0.21 0.00 -0.37 0.00 0.00 57.07 53.37 2d31 s TYR 26 Cb -0.13 -2.86 -0.06 0.00 -0.40 0.00 0.00 41.96 38.50 2d31 s TYR 26 CO -0.09 -0.69 0.61 0.14 -1.57 0.00 0.00 175.55 173.95 2d31 s VAL 27 N -0.69 4.77 0.17 0.71 -7.23 -0.74 -3.49 120.40 113.91 2d31 s VAL 27 Ca 0.20 1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 61.48 2d31 s VAL 27 Cb -0.18 -3.95 0.04 0.00 0.56 0.00 0.00 36.38 32.86 2d31 s VAL 27 CO -0.06 0.49 0.53 -0.94 -0.31 0.00 0.00 175.10 174.80 2d31 s SER 28 N -0.68 -0.33 -0.73 4.85 1.04 -0.95 -1.28 113.70 115.61 2d31 s SER 28 Ca 0.31 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 2d31 s SER 28 Cb -0.19 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2d31 s SER 28 CO 0.19 -1.00 0.46 0.61 0.98 0.00 0.00 173.24 174.48 2d31 n GLY 29 N -0.33 0.14 3.71 7.32 0.00 -0.97 0.41 105.19 115.47 2d31 n GLY 29 Ca -0.13 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2d31 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d31 s PHE 30 N -3.02 2.65 -0.30 1.61 -0.12 -1.03 -4.20 117.98 113.57 2d31 s PHE 30 Ca 0.23 -0.43 -0.18 0.00 -0.05 0.00 0.00 56.93 56.50 2d31 s PHE 30 Cb -0.10 -1.65 0.19 0.00 -0.63 0.00 0.00 43.02 40.83 2d31 s PHE 30 CO 0.28 0.35 1.22 -1.58 -0.05 0.00 0.00 175.22 175.44 2d31 s HIS 31 N -2.48 -0.22 0.94 3.49 2.46 -0.85 -1.35 115.29 117.29 2d31 s HIS 31 Ca 0.37 0.36 -0.11 0.00 0.47 0.00 0.00 55.06 56.15 2d31 s HIS 31 Cb -0.01 0.12 0.16 0.00 -0.13 0.00 0.00 32.58 32.72 2d31 s HIS 31 CO 0.22 -0.11 1.09 -1.25 -2.47 0.00 0.00 174.74 172.22 2d31 s PRO 32 N 2.23 0.85 0.54 2.88 0.04 -1.26 -2.54 135.00 137.74 2d31 s PRO 32 Ca -0.01 1.00 0.24 0.00 0.04 0.00 0.00 61.00 62.27 2d31 s PRO 32 Cb -0.03 -1.75 1.50 0.00 0.04 0.00 0.00 34.50 34.27 2d31 s PRO 32 CO -0.16 -2.57 2.15 0.66 0.04 0.00 0.00 177.00 177.13 2d31 h SER 33 N -1.80 0.00 -3.34 6.66 4.64 -1.99 -3.43 113.55 114.29 2d31 h SER 33 Ca -0.50 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.29 2d31 h SER 33 Cb 1.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 2d31 h SER 33 CO 0.51 0.06 0.65 -0.62 -0.87 0.00 0.00 176.83 176.56 2d31 s ASP 34 N -6.48 6.91 -0.01 4.97 2.15 -1.26 -4.99 116.67 117.96 2d31 s ASP 34 Ca -0.04 2.37 -0.29 0.00 0.43 0.00 0.00 52.55 55.02 2d31 s ASP 34 Cb 0.15 -2.61 0.10 0.00 -0.30 0.00 0.00 42.92 40.27 2d31 s ASP 34 CO 0.60 -0.53 0.88 -0.51 -0.17 0.00 0.00 175.17 175.44 2d31 s ILE 35 N 0.24 0.00 -0.16 4.11 2.07 -1.26 -4.68 121.20 121.52 2d31 s ILE 35 Ca 0.57 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.77 2d31 s ILE 35 Cb -0.36 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.30 2d31 s ILE 35 CO 0.37 0.00 0.15 -1.83 -1.91 0.00 0.00 174.94 171.72 2d31 s GLU 36 N -2.98 0.10 -0.12 3.50 -1.05 -0.86 -4.99 118.70 112.30 2d31 s GLU 36 Ca 0.04 0.16 0.03 0.00 -0.15 0.00 0.00 54.97 55.05 2d31 s GLU 36 Cb -0.01 -1.26 0.00 0.00 -0.44 0.00 0.00 34.13 32.42 2d31 s GLU 36 CO -0.08 -0.59 -0.23 0.08 0.95 0.00 0.00 175.26 175.39 2d31 s VAL 37 N 2.24 2.07 0.08 1.83 1.01 -1.26 -1.56 120.40 124.81 2d31 s VAL 37 Ca 0.04 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.10 2d31 s VAL 37 Cb -0.15 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2d31 s VAL 37 CO -0.09 0.56 -0.21 -1.81 0.00 0.00 0.00 175.10 173.54 2d31 s ASP 38 N 0.52 2.59 -0.25 3.32 1.01 0.18 -4.97 116.67 119.08 2d31 s ASP 38 Ca -0.14 -0.62 -0.10 0.00 0.71 0.00 0.00 52.55 52.39 2d31 s ASP 38 Cb -0.17 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 2d31 s ASP 38 CO 0.05 0.12 0.16 -0.76 0.21 0.00 0.00 175.17 174.95 2d31 s LEU 39 N -1.60 4.08 -0.10 1.23 1.02 -1.26 0.36 118.68 122.42 2d31 s LEU 39 Ca 0.08 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.33 2d31 s LEU 39 Cb -0.10 -2.10 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 2d31 s LEU 39 CO 0.03 0.05 -0.16 -0.76 0.02 0.00 0.00 176.35 175.53 2d31 s LEU 40 N 1.17 2.58 -0.17 1.79 1.43 0.90 -1.38 118.68 125.01 2d31 s LEU 40 Ca 0.07 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2d31 s LEU 40 Cb -0.14 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2d31 s LEU 40 CO 0.05 0.22 -0.08 -0.75 0.23 0.00 0.00 176.35 176.03 2d31 s LYS 41 N -0.01 3.46 -0.61 1.70 2.20 -1.04 -0.49 119.74 124.95 2d31 s LYS 41 Ca -0.05 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2d31 s LYS 41 Cb -0.14 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2d31 s LYS 41 CO 0.04 0.08 0.00 0.09 -0.36 0.00 0.00 175.35 175.20 2d31 n ASN 42 N 3.97 -1.64 0.00 1.43 3.02 0.99 -3.15 115.26 119.88 2d31 n ASN 42 Ca -0.18 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2d31 n ASN 42 Cb 0.52 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.92 2d31 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d31 n GLY 43 N -0.09 2.30 3.54 7.41 0.00 -1.26 -5.03 105.19 112.06 2d31 n GLY 43 Ca -0.06 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2d31 n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d31 n GLU 44 N 0.00 1.01 -0.97 1.61 2.13 -1.19 -4.78 120.64 118.45 2d31 n GLU 44 Ca 0.00 0.36 -0.31 0.00 0.66 0.00 0.00 57.16 57.87 2d31 n GLU 44 Cb 0.00 -1.76 0.14 0.00 0.27 0.00 0.00 31.44 30.10 2d31 n GLU 44 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2d31 s ARG 45 N -1.71 1.34 -0.20 5.31 1.70 -1.26 -2.49 118.95 121.64 2d31 s ARG 45 Ca 0.62 1.24 -0.00 0.00 -0.47 0.00 0.00 55.73 57.12 2d31 s ARG 45 Cb -0.63 -1.79 0.05 0.00 -0.57 0.00 0.00 34.95 32.02 2d31 s ARG 45 CO 0.58 -2.30 -0.05 0.96 -1.08 0.00 0.00 175.30 173.41 2d31 s ILE 46 N -2.77 1.29 0.04 4.99 -4.36 -0.48 -4.81 121.20 115.10 2d31 s ILE 46 Ca 0.64 -0.93 -0.17 0.00 -0.26 0.00 0.00 60.65 59.93 2d31 s ILE 46 Cb -0.20 -1.53 -0.22 0.00 1.25 0.00 0.00 42.46 41.75 2d31 s ILE 46 CO 0.58 -0.01 1.16 -0.08 0.24 0.00 0.00 174.94 176.83 2d31 h GLU 47 N 8.04 0.56 -5.01 0.37 4.22 -1.97 -3.39 114.58 117.41 2d31 h GLU 47 Ca -0.21 -0.58 -0.25 0.00 0.08 0.00 0.00 59.36 58.40 2d31 h GLU 47 Cb 1.09 0.16 0.06 0.00 0.50 0.00 0.00 28.75 30.57 2d31 h GLU 47 CO 0.41 1.20 0.84 0.36 -2.18 0.00 0.00 179.01 179.64 2d31 n LYS 48 N -4.06 0.02 -3.95 1.92 2.85 -1.26 -4.83 118.16 108.85 2d31 n LYS 48 Ca -0.10 -0.73 -0.11 0.00 -1.05 0.00 0.00 58.31 56.32 2d31 n LYS 48 Cb 0.75 -2.16 -0.13 0.00 -0.65 0.00 0.00 35.03 32.85 2d31 n LYS 48 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2d31 s VAL 49 N 6.90 0.11 -0.09 0.58 -7.23 -1.26 -4.71 120.40 114.70 2d31 s VAL 49 Ca 0.44 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 60.24 2d31 s VAL 49 Cb 0.06 -0.16 0.01 0.00 0.56 0.00 0.00 36.38 36.84 2d31 s VAL 49 CO 0.18 -0.18 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.00 2d31 s GLU 50 N -0.61 2.33 0.13 4.82 0.41 -0.95 -4.98 118.70 119.86 2d31 s GLU 50 Ca -0.06 -0.63 -0.02 0.00 -0.41 0.00 0.00 54.97 53.85 2d31 s GLU 50 Cb -0.04 -1.85 0.03 0.00 -1.78 0.00 0.00 34.13 30.48 2d31 s GLU 50 CO -0.00 0.07 0.17 -2.39 -0.49 0.00 0.00 175.26 172.62 2d31 n HIS 51 N 3.78 -3.95 -0.03 1.61 1.44 -1.26 -2.24 115.22 114.56 2d31 n HIS 51 Ca -0.21 -0.15 -0.03 0.00 -2.01 0.00 0.00 57.72 55.32 2d31 n HIS 51 Cb 0.52 -0.13 -0.01 0.00 0.12 0.00 0.00 29.99 30.49 2d31 n HIS 51 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2d31 n SER 52 N -3.12 0.74 0.00 4.39 2.88 -0.72 -4.91 113.62 112.88 2d31 n SER 52 Ca 0.02 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2d31 n SER 52 Cb 0.08 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2d31 n SER 52 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2d31 n ASP 53 N -3.24 0.00 -4.65 -3.46 5.68 -1.26 -5.06 116.55 104.55 2d31 n ASP 53 Ca -0.05 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.81 2d31 n ASP 53 Cb 0.19 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.15 2d31 n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2d31 s LEU 54 N 0.00 4.19 0.31 -2.12 1.98 -1.26 -4.64 118.68 117.13 2d31 s LEU 54 Ca 0.00 1.91 0.03 0.00 -2.89 0.00 0.00 54.13 53.17 2d31 s LEU 54 Cb 0.00 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.28 2d31 s LEU 54 CO 0.00 -0.93 0.14 -0.55 -1.89 0.00 0.00 176.35 173.13 2d31 s SER 55 N 2.98 1.66 0.08 3.68 0.15 -1.17 -5.03 113.70 116.05 2d31 s SER 55 Ca 0.66 -1.53 -0.06 0.00 0.70 0.00 0.00 55.95 55.72 2d31 s SER 55 Cb -0.27 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2d31 s SER 55 CO 0.24 -0.85 0.11 0.72 1.20 0.00 0.00 173.24 174.66 2d31 s PHE 56 N -3.57 0.30 0.24 3.44 -0.71 -1.26 -0.54 117.98 115.87 2d31 s PHE 56 Ca 0.35 -0.77 0.04 0.00 -1.04 0.00 0.00 56.93 55.50 2d31 s PHE 56 Cb 0.05 -0.18 0.04 0.00 -1.21 0.00 0.00 43.02 41.72 2d31 s PHE 56 CO 0.17 -0.49 0.30 0.43 -1.34 0.00 0.00 175.22 174.29 2d31 n SER 57 N -0.01 1.02 -0.23 1.98 7.64 0.17 -4.90 113.62 119.29 2d31 n SER 57 Ca -0.14 -1.66 0.01 0.00 1.01 0.00 0.00 58.87 58.09 2d31 n SER 57 Cb 0.62 -0.15 0.13 0.00 -1.01 0.00 0.00 64.21 63.80 2d31 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2d31 h LYS 58 N 0.00 0.46 -6.89 1.43 1.79 -2.03 -3.35 116.57 107.97 2d31 h LYS 58 Ca -0.12 -0.03 -0.49 0.00 -2.18 0.00 0.00 60.65 57.83 2d31 h LYS 58 Cb 0.52 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2d31 h LYS 58 CO 0.17 0.30 0.14 0.16 -1.08 0.00 0.00 179.45 179.15 2d31 s ASP 59 N -5.41 6.51 -0.09 0.86 1.47 -1.26 -4.93 116.67 113.81 2d31 s ASP 59 Ca -0.13 1.16 -0.04 0.00 1.18 0.00 0.00 52.55 54.72 2d31 s ASP 59 Cb 0.18 -2.34 -0.18 0.00 -0.34 0.00 0.00 42.92 40.24 2d31 s ASP 59 CO 0.75 -0.43 2.68 0.79 0.68 0.00 0.00 175.17 179.64 2d31 n TRP 60 N -1.41 0.14 -5.03 2.11 7.02 -1.26 -4.84 117.44 114.17 2d31 n TRP 60 Ca 0.03 -1.16 -0.32 0.00 -1.02 0.00 0.00 57.50 55.03 2d31 n TRP 60 Cb 0.54 -1.30 -0.16 0.00 -2.42 0.00 0.00 31.31 27.97 2d31 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2d31 s SER 61 N 2.35 3.51 0.35 -0.99 1.04 -1.26 -4.87 113.70 113.82 2d31 s SER 61 Ca 0.47 -0.44 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 2d31 s SER 61 Cb 0.22 -1.37 -0.10 0.00 0.10 0.00 0.00 66.02 64.86 2d31 s SER 61 CO -0.00 0.19 0.92 -0.36 0.98 0.00 0.00 173.24 174.96 2d31 s PHE 62 N 0.20 3.56 0.03 5.02 0.40 -0.45 -0.65 117.98 126.09 2d31 s PHE 62 Ca -0.12 1.67 -0.06 0.00 -0.60 0.00 0.00 56.93 57.83 2d31 s PHE 62 Cb -0.16 -2.85 -0.01 0.00 0.51 0.00 0.00 43.02 40.50 2d31 s PHE 62 CO 0.06 0.12 0.10 1.52 0.70 0.00 0.00 175.22 177.72 2d31 s TYR 63 N -1.79 0.18 0.07 0.36 -0.85 0.30 -2.28 117.35 113.33 2d31 s TYR 63 Ca 0.53 -0.44 -0.14 0.00 -0.52 0.00 0.00 57.07 56.50 2d31 s TYR 63 Cb -0.15 -0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.08 2d31 s TYR 63 CO 0.20 -0.34 0.32 -0.51 -1.52 0.00 0.00 175.55 173.69 2d31 s LEU 64 N -1.97 0.81 -0.20 -3.49 1.43 -0.41 -3.03 118.68 111.82 2d31 s LEU 64 Ca -0.07 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2d31 s LEU 64 Cb -0.03 1.46 0.06 0.00 0.03 0.00 0.00 46.19 47.71 2d31 s LEU 64 CO -0.03 -0.69 0.02 -0.22 0.23 0.00 0.00 176.35 175.65 2d31 s LEU 65 N -2.36 1.42 0.02 1.79 2.96 -1.26 -1.78 118.68 119.46 2d31 s LEU 65 Ca -0.02 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 52.90 2d31 s LEU 65 Cb 0.01 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.95 2d31 s LEU 65 CO -0.06 -0.29 0.36 -0.31 -1.32 0.00 0.00 176.35 174.72 2d31 s TYR 66 N 1.78 3.64 0.18 5.38 1.51 -0.44 -1.76 117.35 127.64 2d31 s TYR 66 Ca -0.02 0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 56.75 2d31 s TYR 66 Cb -0.17 -2.17 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 2d31 s TYR 66 CO -0.08 0.60 0.36 1.52 -1.11 0.00 0.00 175.55 176.85 2d31 s TYR 67 N -1.22 0.27 -0.08 2.71 -0.85 -0.95 -1.42 117.35 115.81 2d31 s TYR 67 Ca 0.27 -0.63 -0.10 0.00 -0.52 0.00 0.00 57.07 56.08 2d31 s TYR 67 Cb -0.15 0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.29 2d31 s TYR 67 CO 0.14 -0.79 0.27 0.99 -1.52 0.00 0.00 175.55 174.65 2d31 s THR 68 N -3.95 0.02 -0.37 -3.49 2.01 -1.03 -2.23 115.64 106.60 2d31 s THR 68 Ca 0.16 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2d31 s THR 68 Cb 0.02 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.12 2d31 s THR 68 CO 0.00 -0.07 0.99 -0.70 -0.69 0.00 0.00 174.62 174.16 2d31 s GLU 69 N -0.19 3.87 0.05 4.92 2.12 -1.26 -0.73 118.70 127.48 2d31 s GLU 69 Ca -0.03 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.00 2d31 s GLU 69 Cb -0.03 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 2d31 s GLU 69 CO 0.01 -1.01 -0.07 -0.59 -0.54 0.00 0.00 175.26 173.07 2d31 s PHE 70 N 3.67 0.66 -0.22 5.30 -0.12 -1.03 -4.99 117.98 121.25 2d31 s PHE 70 Ca 0.41 -0.63 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 2d31 s PHE 70 Cb -0.11 -0.40 0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2d31 s PHE 70 CO 0.20 -0.13 -0.14 0.95 -0.05 0.00 0.00 175.22 176.05 2d31 s THR 71 N -2.03 2.32 0.60 -4.49 -4.23 -1.26 -1.50 115.64 105.05 2d31 s THR 71 Ca -0.05 -1.13 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 2d31 s THR 71 Cb -0.06 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 2d31 s THR 71 CO -0.02 0.31 1.10 -2.16 -0.54 0.00 0.00 174.62 173.32 2d31 s PRO 72 N 1.25 3.13 0.16 3.99 0.04 -1.26 -4.78 135.00 137.53 2d31 s PRO 72 Ca 0.00 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 2d31 s PRO 72 Cb -0.16 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2d31 s PRO 72 CO -0.09 -1.00 0.08 0.95 0.04 0.00 0.00 177.00 176.98 2d31 s THR 73 N -2.14 0.12 0.34 1.26 -4.23 -1.26 -0.69 115.64 109.03 2d31 s THR 73 Ca 0.68 -1.94 0.23 0.00 -1.18 0.00 0.00 61.69 59.48 2d31 s THR 73 Cb -0.21 -2.20 0.23 0.00 1.34 0.00 0.00 72.50 71.67 2d31 s THR 73 CO 0.35 -0.32 1.96 1.05 -0.54 0.00 0.00 174.62 177.12 2d31 h GLU 74 N 2.77 0.00 0.00 3.99 9.09 -1.97 -3.35 114.58 125.10 2d31 h GLU 74 Ca -0.36 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.98 2d31 h GLU 74 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 2d31 h GLU 74 CO 0.58 0.20 -1.49 0.36 0.05 0.00 0.00 179.01 178.71 2d31 n LYS 75 N -3.68 1.40 -2.23 1.06 2.85 -1.26 -5.00 118.16 111.30 2d31 n LYS 75 Ca -0.01 -0.05 -0.40 0.00 -1.05 0.00 0.00 58.31 56.80 2d31 n LYS 75 Cb 0.32 -1.22 -0.02 0.00 -0.65 0.00 0.00 35.03 33.46 2d31 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2d31 s ASP 76 N -3.52 6.79 -0.12 -5.58 -0.00 -1.26 -5.05 116.67 107.93 2d31 s ASP 76 Ca -0.04 2.51 0.03 0.00 -0.00 0.00 0.00 52.55 55.06 2d31 s ASP 76 Cb 0.04 -2.64 0.01 0.00 -0.00 0.00 0.00 42.92 40.33 2d31 s ASP 76 CO 0.36 -0.50 -0.23 -1.61 -0.00 0.00 0.00 175.17 173.19 2d31 s GLU 77 N -1.87 3.03 -0.02 8.23 2.02 -1.26 -4.82 118.70 124.01 2d31 s GLU 77 Ca 0.50 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.67 2d31 s GLU 77 Cb -0.36 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 2d31 s GLU 77 CO 0.47 0.06 -0.12 0.71 0.02 0.00 0.00 175.26 176.40 2d31 s TYR 78 N 0.62 2.75 -0.04 1.61 2.02 -1.26 -0.00 117.35 123.05 2d31 s TYR 78 Ca -0.12 -0.12 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 2d31 s TYR 78 Cb -0.17 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 2d31 s TYR 78 CO 0.02 0.26 0.34 0.00 -1.57 0.00 0.00 175.55 174.61 2d31 s ALA 79 N -0.84 -0.85 -0.13 3.71 0.00 0.36 0.71 121.76 124.72 2d31 s ALA 79 Ca 0.14 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2d31 s ALA 79 Cb -0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2d31 s ALA 79 CO 0.03 -0.25 0.21 0.00 0.00 0.00 0.00 175.76 175.75 2d31 s ARG 81 N -0.37 1.96 -0.02 0.00 3.52 0.16 -1.41 118.95 122.79 2d31 s ARG 81 Ca 0.15 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.96 2d31 s ARG 81 Cb -0.13 -1.81 0.02 0.00 -1.56 0.00 0.00 34.95 31.48 2d31 s ARG 81 CO 0.04 0.42 0.03 0.08 -0.81 0.00 0.00 175.30 175.06 2d31 s VAL 82 N -0.36 -0.05 -0.09 7.11 1.01 -0.65 0.51 120.40 127.88 2d31 s VAL 82 Ca 0.04 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2d31 s VAL 82 Cb -0.10 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2d31 s VAL 82 CO 0.01 0.07 -0.12 0.21 0.00 0.00 0.00 175.10 175.26 2d31 s ASN 83 N 0.84 2.10 0.47 3.32 2.47 -0.60 -2.04 114.94 121.50 2d31 s ASN 83 Ca -0.07 -0.35 0.04 0.00 0.42 0.00 0.00 52.86 52.91 2d31 s ASN 83 Cb -0.10 -0.93 -0.03 0.00 -1.45 0.00 0.00 41.25 38.74 2d31 s ASN 83 CO -0.02 -0.00 0.09 -2.28 -3.72 0.00 0.00 177.10 171.16 2d31 s HIS 84 N 0.99 2.16 0.18 0.43 5.65 -1.26 -2.03 115.29 121.41 2d31 s HIS 84 Ca -0.08 -0.79 -0.04 0.00 0.25 0.00 0.00 55.06 54.40 2d31 s HIS 84 Cb -0.15 -1.76 0.07 0.00 -1.18 0.00 0.00 32.58 29.56 2d31 s HIS 84 CO -0.01 0.19 1.47 -0.24 -0.65 0.00 0.00 174.74 175.51 2d31 h VAL 85 N 1.41 1.33 0.00 0.89 3.04 -1.94 -3.01 116.25 117.97 2d31 h VAL 85 Ca -0.43 -1.87 0.00 0.00 -1.01 0.00 0.00 66.70 63.39 2d31 h VAL 85 Cb 1.28 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 2d31 h VAL 85 CO 0.73 0.58 0.00 1.07 -1.01 0.00 0.00 177.57 178.94 2d31 n THR 86 N -3.93 0.95 -3.55 3.17 5.66 -1.26 -4.65 114.28 110.66 2d31 n THR 86 Ca -0.04 0.24 -0.39 0.00 -3.05 0.00 0.00 64.05 60.81 2d31 n THR 86 Cb 0.64 -1.01 -0.11 0.00 -1.55 0.00 0.00 70.33 68.30 2d31 n THR 86 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2d31 s LEU 87 N -2.85 4.14 0.47 1.09 1.43 -1.14 -4.94 118.68 116.88 2d31 s LEU 87 Ca 0.08 -0.07 0.21 0.00 -1.03 0.00 0.00 54.13 53.32 2d31 s LEU 87 Cb 0.09 -2.17 1.21 0.00 0.03 0.00 0.00 46.19 45.35 2d31 s LEU 87 CO 0.22 -0.12 1.93 0.28 0.23 0.00 0.00 176.35 178.90 2d31 h SER 88 N 8.38 0.23 -3.68 2.29 0.02 -1.88 -3.44 113.55 115.48 2d31 h SER 88 Ca -0.34 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2d31 h SER 88 Cb 1.18 -0.03 -0.22 0.00 0.14 0.00 0.00 62.40 63.47 2d31 h SER 88 CO 0.58 0.11 0.04 -1.58 -1.14 0.00 0.00 176.83 174.85 2d31 s GLN 89 N -5.24 0.75 -0.43 3.45 0.74 -1.26 -5.11 119.66 112.55 2d31 s GLN 89 Ca -0.07 1.01 -0.35 0.00 0.05 0.00 0.00 55.36 56.00 2d31 s GLN 89 Cb 0.21 0.30 -0.13 0.00 1.10 0.00 0.00 33.01 34.49 2d31 s GLN 89 CO 0.76 -0.11 2.24 -0.35 -0.55 0.00 0.00 175.29 177.28 2d31 n PRO 90 N 3.23 0.83 -2.31 1.67 -0.04 -1.26 -4.89 135.00 132.23 2d31 n PRO 90 Ca -0.16 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 2d31 n PRO 90 Cb 0.56 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 2d31 n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2d31 s LYS 91 N 6.55 4.34 -0.25 0.54 2.20 -0.87 -4.84 119.74 127.42 2d31 s LYS 91 Ca 1.12 1.88 0.02 0.00 -0.36 0.00 0.00 55.97 58.63 2d31 s LYS 91 Cb -0.93 -3.44 0.05 0.00 -1.51 0.00 0.00 37.83 31.99 2d31 s LYS 91 CO 0.50 -0.44 -0.11 -1.50 -0.36 0.00 0.00 175.35 173.44 2d31 s ILE 92 N 1.73 2.30 -0.26 5.43 1.10 -1.26 -1.63 121.20 128.61 2d31 s ILE 92 Ca 0.61 -1.42 -0.08 0.00 -0.51 0.00 0.00 60.65 59.25 2d31 s ILE 92 Cb -0.31 -2.26 -0.03 0.00 0.15 0.00 0.00 42.46 40.01 2d31 s ILE 92 CO 0.27 0.09 0.09 0.68 -2.11 0.00 0.00 174.94 173.97 2d31 s VAL 93 N 1.17 4.44 0.43 4.00 -7.23 -0.50 -4.97 120.40 117.74 2d31 s VAL 93 Ca -0.05 -0.17 -0.25 0.00 -1.81 0.00 0.00 61.98 59.70 2d31 s VAL 93 Cb -0.18 -3.10 -0.08 0.00 0.56 0.00 0.00 36.38 33.57 2d31 s VAL 93 CO -0.06 0.30 1.25 -1.59 -0.31 0.00 0.00 175.10 174.69 2d31 s LYS 94 N 1.63 3.87 -0.11 4.82 -2.85 -1.26 -1.40 119.74 124.44 2d31 s LYS 94 Ca 0.06 2.01 -0.28 0.00 -1.00 0.00 0.00 55.97 56.76 2d31 s LYS 94 Cb -0.15 -2.63 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 2d31 s LYS 94 CO 0.05 -0.52 0.96 -0.46 0.10 0.00 0.00 175.35 175.47 2d31 s TRP 95 N -1.35 3.50 -0.27 1.78 -0.00 0.22 -4.89 118.94 117.92 2d31 s TRP 95 Ca 0.59 1.52 -0.08 0.00 -0.00 0.00 0.00 56.10 58.13 2d31 s TRP 95 Cb -0.35 -3.13 -0.02 0.00 -0.00 0.00 0.00 33.47 29.97 2d31 s TRP 95 CO 0.43 -0.21 0.10 -0.51 -0.00 0.00 0.00 176.95 176.77 2d31 s ASP 96 N 1.09 5.27 0.53 5.86 1.01 -1.26 -4.71 116.67 124.47 2d31 s ASP 96 Ca 0.46 -0.36 0.16 0.00 0.71 0.00 0.00 52.55 53.52 2d31 s ASP 96 Cb -0.18 -1.94 0.85 0.00 1.01 0.00 0.00 42.92 42.66 2d31 s ASP 96 CO 0.17 -0.10 1.42 0.03 0.21 0.00 0.00 175.17 176.91 2d31 h ARG 97 N 8.27 0.00 0.00 8.23 3.08 -1.95 0.35 114.38 132.36 2d31 h ARG 97 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2d31 h ARG 97 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2d31 h ARG 97 CO 0.59 0.00 -0.63 -0.40 -1.07 0.00 0.00 179.97 178.46 2d31 n ASP 98 N -2.45 1.29 -0.51 7.04 5.68 -1.26 -4.79 116.55 121.55 2d31 n ASP 98 Ca -0.01 -0.45 0.14 0.00 -0.50 0.00 0.00 54.79 53.97 2d31 n ASP 98 Cb 0.53 1.10 0.49 0.00 -1.14 0.00 0.00 41.12 42.11 2d31 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67