#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9m s LYS 2 N 0.00 4.46 -0.11 0.00 2.20 -1.26 -0.00 119.74 125.03 1e9m s LYS 2 Ca 0.00 0.99 0.04 0.00 -0.36 0.00 0.00 55.97 56.64 1e9m s LYS 2 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1e9m s LYS 2 CO 0.00 0.14 -0.23 0.42 -0.36 0.00 0.00 175.35 175.31 1e9m s ILE 3 N 0.50 2.04 -0.17 5.43 -1.09 0.61 0.51 121.20 129.03 1e9m s ILE 3 Ca 0.39 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 1e9m s ILE 3 Cb -0.19 -1.77 -0.03 0.00 -1.58 0.00 0.00 42.46 38.89 1e9m s ILE 3 CO 0.21 0.55 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.82 1e9m s ILE 4 N 0.45 3.91 -0.17 2.92 1.09 0.33 -1.42 121.20 128.31 1e9m s ILE 4 Ca -0.16 -0.34 -0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1e9m s ILE 4 Cb -0.17 -2.73 -0.01 0.00 -1.06 0.00 0.00 42.46 38.48 1e9m s ILE 4 CO 0.07 0.47 -0.10 -0.36 -0.10 0.00 0.00 174.94 174.92 1e9m s PHE 5 N 0.64 2.88 -0.21 3.97 0.08 0.14 -0.33 117.98 125.14 1e9m s PHE 5 Ca -0.02 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.20 1e9m s PHE 5 Cb -0.14 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.37 1e9m s PHE 5 CO 0.02 -0.40 -0.15 0.42 -0.10 0.00 0.00 175.22 175.02 1e9m s ILE 6 N 0.90 2.34 0.95 0.64 1.01 0.18 0.36 121.20 127.59 1e9m s ILE 6 Ca -0.02 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 1e9m s ILE 6 Cb -0.15 -2.10 0.16 0.00 0.01 0.00 0.00 42.46 40.39 1e9m s ILE 6 CO 0.00 0.37 1.10 -1.61 0.00 0.00 0.00 174.94 174.81 1e9m s GLU 7 N 1.28 0.78 0.62 2.79 2.02 0.27 -0.51 118.70 125.95 1e9m s GLU 7 Ca 0.02 1.23 0.32 0.00 0.02 0.00 0.00 54.97 56.56 1e9m s GLU 7 Cb -0.15 -1.72 1.84 0.00 0.10 0.00 0.00 34.13 34.20 1e9m s GLU 7 CO -0.09 -2.69 2.15 1.12 0.02 0.00 0.00 175.26 175.76 1e9m h HIS 8 N -1.90 0.00 -0.06 1.61 2.07 -1.77 -0.11 115.15 114.99 1e9m h HIS 8 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1e9m h HIS 8 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1e9m h HIS 8 CO 0.45 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.58 1e9m n ASN 9 N -3.51 1.85 0.00 3.10 0.23 -1.26 -4.94 115.26 110.73 1e9m n ASN 9 Ca -0.00 -1.64 0.00 0.00 -0.53 0.00 0.00 54.58 52.41 1e9m n ASN 9 Cb 0.26 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1e9m n ASN 9 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1e9m n GLY 10 N 1.21 0.25 3.70 4.83 0.00 -0.05 -5.06 105.19 110.07 1e9m n GLY 10 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1e9m n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e9m s THR 11 N -2.00 3.27 -0.16 2.61 2.01 -1.26 -4.76 115.64 115.36 1e9m s THR 11 Ca 0.00 0.81 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 1e9m s THR 11 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1e9m s THR 11 CO 0.00 0.03 0.20 -0.60 -0.69 0.00 0.00 174.62 173.56 1e9m s ARG 12 N 1.86 4.04 -0.10 4.92 3.52 -1.26 -0.57 118.95 131.36 1e9m s ARG 12 Ca 0.67 -0.06 0.01 0.00 -0.13 0.00 0.00 55.73 56.22 1e9m s ARG 12 Cb -0.37 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.68 1e9m s ARG 12 CO 0.30 0.41 -0.12 -1.01 -0.81 0.00 0.00 175.30 174.07 1e9m s HIS 13 N 0.01 1.68 -0.10 5.12 3.76 0.16 -5.00 115.29 120.93 1e9m s HIS 13 Ca 0.13 -0.79 0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1e9m s HIS 13 Cb -0.12 -1.28 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 1e9m s HIS 13 CO 0.02 -0.46 -0.11 -1.21 -0.85 0.00 0.00 174.74 172.13 1e9m s GLU 14 N 1.21 3.07 0.04 1.40 2.02 -1.26 0.26 118.70 125.44 1e9m s GLU 14 Ca -0.03 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1e9m s GLU 14 Cb -0.14 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1e9m s GLU 14 CO -0.04 0.41 -0.04 0.14 0.02 0.00 0.00 175.26 175.76 1e9m s VAL 15 N -0.16 0.25 -0.21 2.63 -7.23 -0.50 -5.00 120.40 110.17 1e9m s VAL 15 Ca 0.00 -1.29 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1e9m s VAL 15 Cb -0.13 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1e9m s VAL 15 CO 0.03 -0.67 0.03 -0.70 -0.31 0.00 0.00 175.10 173.48 1e9m s GLU 16 N -2.42 3.71 -0.06 4.82 2.56 -1.26 -0.29 118.70 125.76 1e9m s GLU 16 Ca -0.06 -0.47 0.04 0.00 0.00 0.00 0.00 54.97 54.48 1e9m s GLU 16 Cb -0.03 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.93 1e9m s GLU 16 CO -0.04 0.02 -0.17 0.00 -0.56 0.00 0.00 175.26 174.51 1e9m s ALA 17 N 1.01 1.58 0.34 6.30 0.00 0.99 -4.91 121.76 127.08 1e9m s ALA 17 Ca 0.03 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 51.03 1e9m s ALA 17 Cb -0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1e9m s ALA 17 CO 0.02 0.25 1.12 0.15 0.00 0.00 0.00 175.76 177.31 1e9m s LYS 18 N 0.20 4.37 0.32 0.00 1.02 -1.26 -1.12 119.74 123.27 1e9m s LYS 18 Ca -0.08 1.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.41 1e9m s LYS 18 Cb -0.13 -2.92 -0.12 0.00 -0.52 0.00 0.00 37.83 34.14 1e9m s LYS 18 CO 0.03 -0.03 1.36 -2.30 -0.92 0.00 0.00 175.35 173.49 1e9m n PRO 19 N 0.62 2.20 0.00 -1.68 -0.02 -1.26 -2.50 135.00 132.36 1e9m n PRO 19 Ca 0.02 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1e9m n PRO 19 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1e9m n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e9m n GLY 20 N 1.17 1.45 3.85 -1.23 0.00 0.12 -4.98 105.19 105.57 1e9m n GLY 20 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1e9m n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e9m s LEU 21 N 0.00 3.00 0.39 0.99 1.43 -1.04 -4.72 118.68 118.72 1e9m s LEU 21 Ca 0.00 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1e9m s LEU 21 Cb 0.00 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.01 1e9m s LEU 21 CO 0.00 -1.31 0.57 0.42 0.23 0.00 0.00 176.35 176.26 1e9m s THR 22 N -3.21 4.24 0.40 5.49 -4.23 -1.26 -0.33 115.64 116.75 1e9m s THR 22 Ca 0.58 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 60.49 1e9m s THR 22 Cb -0.12 -3.53 0.18 0.00 1.34 0.00 0.00 72.50 70.37 1e9m s THR 22 CO 0.53 -0.30 1.96 0.58 -0.54 0.00 0.00 174.62 176.85 1e9m h VAL 23 N 0.65 1.15 -0.21 2.29 2.07 -0.86 -1.44 116.25 119.91 1e9m h VAL 23 Ca -0.47 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1e9m h VAL 23 Cb 1.25 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1e9m h VAL 23 CO 0.57 0.20 0.08 -0.03 0.02 0.00 0.00 177.57 178.40 1e9m h MET 24 N 0.25 0.31 -0.90 1.57 1.85 -1.73 -1.89 114.93 114.40 1e9m h MET 24 Ca 0.06 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1e9m h MET 24 Cb 0.28 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 1e9m h MET 24 CO 0.01 0.39 0.52 0.93 -0.40 0.00 0.00 176.91 178.36 1e9m h GLU 25 N 0.18 1.24 -1.01 0.39 5.08 -1.78 0.17 114.58 118.85 1e9m h GLU 25 Ca 0.07 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1e9m h GLU 25 Cb 0.19 -0.25 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1e9m h GLU 25 CO -0.00 0.89 0.65 0.00 -1.00 0.00 0.00 179.01 179.54 1e9m h ALA 26 N 1.28 1.42 0.00 3.43 0.00 -0.92 0.38 119.26 124.85 1e9m h ALA 26 Ca 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1e9m h ALA 26 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1e9m h ALA 26 CO -0.06 0.42 -0.00 0.00 0.00 0.00 0.00 179.25 179.61 1e9m h ALA 27 N 1.47 -0.00 0.07 0.00 0.00 -0.57 -3.21 119.26 117.01 1e9m h ALA 27 Ca 0.44 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1e9m h ALA 27 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1e9m h ALA 27 CO -0.19 -0.08 -0.13 -0.09 0.00 0.00 0.00 179.25 178.76 1e9m h ARG 28 N -0.85 -0.25 0.00 0.00 2.43 -0.50 -0.47 114.38 114.74 1e9m h ARG 28 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1e9m h ARG 28 Cb 0.83 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1e9m h ARG 28 CO 0.00 -0.17 0.00 -0.25 -1.51 0.00 0.00 179.97 178.04 1e9m n ASP 29 N -5.26 0.47 -0.71 -3.80 8.00 0.11 -2.72 116.55 112.64 1e9m n ASP 29 Ca -0.06 0.61 0.07 0.00 0.71 0.00 0.00 54.79 56.12 1e9m n ASP 29 Cb 0.18 -0.71 0.19 0.00 -0.02 0.00 0.00 41.12 40.76 1e9m n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1e9m n ASN 30 N -2.01 3.31 -1.60 -2.24 3.02 -1.03 -4.99 115.26 109.71 1e9m n ASN 30 Ca 0.03 -2.49 -0.14 0.00 -0.03 0.00 0.00 54.58 51.95 1e9m n ASN 30 Cb 0.22 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1e9m n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e9m n GLY 31 N -0.05 -0.17 3.70 7.41 0.00 -0.99 -5.00 105.19 110.10 1e9m n GLY 31 Ca 0.16 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1e9m n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e9m s VAL 32 N -2.71 4.78 0.48 1.61 1.01 -0.22 -5.03 120.40 120.32 1e9m s VAL 32 Ca 0.03 2.02 -0.18 0.00 0.00 0.00 0.00 61.98 63.85 1e9m s VAL 32 Cb -0.01 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1e9m s VAL 32 CO 0.04 0.09 0.96 -2.16 0.00 0.00 0.00 175.10 174.02 1e9m s PRO 33 N 1.49 4.02 0.00 2.72 0.04 -1.26 -4.24 135.00 137.77 1e9m s PRO 33 Ca 0.51 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1e9m s PRO 33 Cb -0.20 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1e9m s PRO 33 CO 0.23 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1e9m n GLY 34 N -1.26 0.59 3.04 0.56 0.00 -1.26 -4.94 105.19 101.91 1e9m n GLY 34 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1e9m n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1e9m s ILE 35 N -2.00 1.60 -0.20 -0.61 -1.09 -1.26 -4.76 121.20 112.88 1e9m s ILE 35 Ca 0.00 -0.66 -0.14 0.00 -2.23 0.00 0.00 60.65 57.62 1e9m s ILE 35 Cb 0.00 -1.49 -0.19 0.00 -1.58 0.00 0.00 42.46 39.20 1e9m s ILE 35 CO 0.00 0.46 0.11 0.47 -1.23 0.00 0.00 174.94 174.75 1e9m n ASP 36 N 4.63 1.96 -3.67 3.58 8.00 -0.41 -4.93 116.55 125.71 1e9m n ASP 36 Ca -0.18 0.30 -0.21 0.00 0.71 0.00 0.00 54.79 55.41 1e9m n ASP 36 Cb 0.50 -0.86 0.04 0.00 -0.02 0.00 0.00 41.12 40.78 1e9m n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e9m n ALA 37 N -3.45 -2.00 -0.33 2.24 0.00 -0.57 -4.90 120.51 111.50 1e9m n ALA 37 Ca -0.38 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 52.98 1e9m n ALA 37 Cb 0.85 -2.07 0.21 0.00 0.00 0.00 0.00 19.45 18.44 1e9m n ALA 37 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1e9m h ASP 38 N -1.88 0.82 0.04 0.00 3.32 -1.95 -2.36 116.42 114.41 1e9m h ASP 38 Ca -0.61 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1e9m h ASP 38 Cb 1.36 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1e9m h ASP 38 CO 0.56 0.44 -0.01 0.00 -1.72 0.00 0.00 179.24 178.51 1e9m n GLY 40 N 1.09 0.28 1.71 0.00 0.00 -0.89 -3.63 105.19 103.75 1e9m n GLY 40 Ca 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1e9m n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e9m n GLY 41 N -1.27 0.57 0.97 -0.02 0.00 -1.26 -4.95 105.19 99.23 1e9m n GLY 41 Ca -0.08 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.24 1e9m n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9m n ALA 42 N -0.57 2.44 -3.52 4.61 0.00 -1.24 -4.94 120.51 117.29 1e9m n ALA 42 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 53.44 52.38 1e9m n ALA 42 Cb 0.31 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 18.88 1e9m n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e9m n ALA 44 N -4.31 2.03 0.00 0.00 0.00 -1.26 -4.93 120.51 112.04 1e9m n ALA 44 Ca -0.23 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1e9m n ALA 44 Cb 0.65 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1e9m n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e9m n SER 46 N -0.12 -5.62 -1.67 0.00 3.41 -1.26 -4.84 113.62 103.52 1e9m n SER 46 Ca 0.00 0.34 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 1e9m n SER 46 Cb 0.00 -4.33 0.32 0.00 -0.26 0.00 0.00 64.21 59.94 1e9m n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1e9m n THR 47 N -2.28 2.30 -0.38 6.66 -2.24 -1.26 -3.60 114.28 113.49 1e9m n THR 47 Ca -0.14 -1.18 0.02 0.00 -2.27 0.00 0.00 64.05 60.48 1e9m n THR 47 Cb 0.61 -0.34 0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1e9m n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9m n HIS 49 N -0.62 2.73 -3.50 0.00 -0.00 -1.24 -2.18 115.22 110.42 1e9m n HIS 49 Ca 0.03 0.47 -0.11 0.00 -0.00 0.00 0.00 57.72 58.11 1e9m n HIS 49 Cb 0.37 -2.50 -0.03 0.00 -0.00 0.00 0.00 29.99 27.83 1e9m n HIS 49 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1e9m s ALA 50 N -1.01 -1.36 -0.32 1.57 0.00 -0.71 -4.49 121.76 115.45 1e9m s ALA 50 Ca 0.55 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1e9m s ALA 50 Cb -0.51 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1e9m s ALA 50 CO 0.62 -0.72 0.20 0.71 0.00 0.00 0.00 175.76 176.57 1e9m s TYR 51 N -3.75 3.21 0.33 0.00 2.02 0.68 -1.56 117.35 118.29 1e9m s TYR 51 Ca 0.02 -0.29 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 1e9m s TYR 51 Cb 0.00 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.05 1e9m s TYR 51 CO -0.12 -0.37 1.15 0.08 -1.57 0.00 0.00 175.55 174.72 1e9m s VAL 52 N 1.69 3.28 0.25 0.71 1.01 -0.43 -0.19 120.40 126.73 1e9m s VAL 52 Ca 0.06 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1e9m s VAL 52 Cb -0.17 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1e9m s VAL 52 CO 0.09 0.22 1.42 -0.62 0.00 0.00 0.00 175.10 176.21 1e9m s ASP 53 N -0.95 6.68 0.41 3.32 -1.08 -0.60 -4.78 116.67 119.67 1e9m s ASP 53 Ca 0.50 2.65 0.24 0.00 -0.52 0.00 0.00 52.55 55.42 1e9m s ASP 53 Cb -0.32 -2.62 1.27 0.00 -1.46 0.00 0.00 42.92 39.79 1e9m s ASP 53 CO 0.41 -0.68 1.68 -0.65 0.52 0.00 0.00 175.17 176.46 1e9m h PRO 54 N 4.91 0.22 0.00 4.34 0.11 -1.92 0.57 132.00 140.22 1e9m h PRO 54 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1e9m h PRO 54 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1e9m h PRO 54 CO 0.77 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 1e9m h ALA 55 N 1.63 1.00 0.00 -0.75 0.00 -1.96 -3.04 119.26 116.14 1e9m h ALA 55 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1e9m h ALA 55 Cb 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1e9m h ALA 55 CO -0.39 0.00 -0.58 0.91 0.00 0.00 0.00 179.25 179.19 1e9m n TRP 56 N -2.71 0.00 -0.34 0.00 7.02 0.20 -4.72 117.44 116.89 1e9m n TRP 56 Ca -0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.60 1e9m n TRP 56 Cb 0.14 -0.04 0.32 0.00 -2.42 0.00 0.00 31.31 29.30 1e9m n TRP 56 CO 0.00 0.00 0.00 -0.39 -2.02 0.00 0.00 177.69 175.28 1e9m h VAL 57 N 0.00 0.66 0.00 -0.99 -1.51 -1.31 0.46 116.25 113.56 1e9m h VAL 57 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1e9m h VAL 57 Cb 0.20 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 1e9m h VAL 57 CO 0.00 0.12 0.00 0.47 -1.23 0.00 0.00 177.57 176.93 1e9m n ASP 58 N -4.83 0.00 -0.88 4.19 8.00 -1.26 -3.07 116.55 118.70 1e9m n ASP 58 Ca 0.23 -0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.58 1e9m n ASP 58 Cb 0.59 -0.24 0.23 0.00 -0.02 0.00 0.00 41.12 41.68 1e9m n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1e9m n LYS 59 N -1.24 2.20 -4.11 -1.24 5.02 0.15 -4.94 118.16 114.00 1e9m n LYS 59 Ca 0.15 -1.76 -0.26 0.00 -2.02 0.00 0.00 58.31 54.43 1e9m n LYS 59 Cb 0.21 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1e9m n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1e9m s LEU 60 N -1.86 3.72 0.58 -0.35 1.43 -1.18 -5.01 118.68 116.00 1e9m s LEU 60 Ca 0.32 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1e9m s LEU 60 Cb 0.21 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1e9m s LEU 60 CO 0.31 0.06 1.24 -2.84 0.23 0.00 0.00 176.35 175.35 1e9m s PRO 61 N -3.14 3.03 0.39 1.29 0.02 -1.26 -4.94 135.00 130.38 1e9m s PRO 61 Ca 0.31 1.91 -0.27 0.00 0.02 0.00 0.00 61.00 62.97 1e9m s PRO 61 Cb -0.10 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 1e9m s PRO 61 CO 0.23 -1.18 1.32 0.21 -0.33 0.00 0.00 177.00 177.25 1e9m s LYS 62 N -3.21 4.04 0.27 5.54 2.20 -1.26 -4.97 119.74 122.35 1e9m s LYS 62 Ca 0.76 2.22 -0.29 0.00 -0.36 0.00 0.00 55.97 58.29 1e9m s LYS 62 Cb -0.32 -2.83 -0.09 0.00 -1.51 0.00 0.00 37.83 33.07 1e9m s LYS 62 CO 0.36 -0.45 1.15 0.00 -0.36 0.00 0.00 175.35 176.04 1e9m s ALA 63 N -1.22 3.43 0.42 3.13 0.00 -1.26 -5.04 121.76 121.21 1e9m s ALA 63 Ca 0.55 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 1e9m s ALA 63 Cb -0.39 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 1e9m s ALA 63 CO 0.51 -0.27 0.79 -0.51 0.00 0.00 0.00 175.76 176.28 1e9m s LEU 64 N -1.29 3.80 0.27 0.00 1.43 -1.26 -4.87 118.68 116.74 1e9m s LEU 64 Ca 0.46 1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1e9m s LEU 64 Cb -0.33 -4.04 0.57 0.00 0.03 0.00 0.00 46.19 42.41 1e9m s LEU 64 CO 0.42 -0.43 1.65 -0.65 0.23 0.00 0.00 176.35 177.58 1e9m h PRO 65 N 1.15 0.19 -0.65 1.29 0.11 -1.99 0.24 132.00 132.35 1e9m h PRO 65 Ca -0.47 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1e9m h PRO 65 Cb 1.19 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1e9m h PRO 65 CO 0.63 0.13 0.43 1.79 -0.21 0.00 0.00 178.00 180.77 1e9m h THR 66 N 0.20 0.92 -0.01 -1.15 1.35 -1.99 0.19 112.91 112.43 1e9m h THR 66 Ca 0.48 -0.18 -0.07 0.00 -0.55 0.00 0.00 66.41 66.10 1e9m h THR 66 Cb 0.90 0.37 0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1e9m h THR 66 CO -0.62 0.09 -0.26 -0.08 -0.25 0.00 0.00 175.52 174.40 1e9m h GLU 67 N 0.51 0.19 -0.48 4.72 4.81 -0.92 -3.10 114.58 120.31 1e9m h GLU 67 Ca 0.30 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1e9m h GLU 67 Cb 0.48 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1e9m h GLU 67 CO -0.09 0.92 0.21 1.79 -0.73 0.00 0.00 179.01 181.10 1e9m h THR 68 N -0.47 1.17 -0.22 0.32 1.35 -0.85 -0.83 112.91 113.39 1e9m h THR 68 Ca -0.03 -0.51 -0.06 0.00 -0.55 0.00 0.00 66.41 65.26 1e9m h THR 68 Cb 1.00 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1e9m h THR 68 CO 0.05 0.20 -0.13 0.44 -0.25 0.00 0.00 175.52 175.84 1e9m h ASP 69 N 0.67 0.34 0.32 5.36 3.32 -1.04 -2.58 116.42 122.81 1e9m h ASP 69 Ca 0.17 -0.08 -0.22 0.00 0.02 0.00 0.00 57.03 56.91 1e9m h ASP 69 Cb 0.11 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1e9m h ASP 69 CO -0.02 0.50 -0.93 0.24 -1.72 0.00 0.00 179.24 177.31 1e9m h MET 70 N 0.33 0.42 0.00 3.56 2.86 -1.20 -3.19 114.93 117.71 1e9m h MET 70 Ca 0.07 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1e9m h MET 70 Cb 0.43 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1e9m h MET 70 CO 0.02 1.11 -0.12 0.82 1.06 0.00 0.00 176.91 179.80 1e9m h ILE 71 N 0.24 0.94 -0.13 -1.22 2.04 -0.81 -1.45 117.51 117.11 1e9m h ILE 71 Ca -0.08 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1e9m h ILE 71 Cb 1.57 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1e9m h ILE 71 CO 0.16 0.12 0.14 0.44 0.00 0.00 0.00 178.15 179.01 1e9m h ASP 72 N 0.00 0.00 0.75 1.72 3.32 -1.47 0.32 116.42 121.06 1e9m h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1e9m h ASP 72 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1e9m h ASP 72 CO 0.02 0.00 -0.57 0.49 -1.72 0.00 0.00 179.24 177.45 1e9m n PHE 73 N -3.91 0.36 -1.13 4.55 3.72 -0.55 -4.96 117.46 115.54 1e9m n PHE 73 Ca 0.00 0.10 -0.31 0.00 -0.05 0.00 0.00 57.45 57.19 1e9m n PHE 73 Cb 0.25 -0.52 0.11 0.00 -0.94 0.00 0.00 39.48 38.38 1e9m n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1e9m s ALA 74 N -3.11 2.02 -0.30 4.37 0.00 0.10 -4.83 121.76 120.01 1e9m s ALA 74 Ca 0.08 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1e9m s ALA 74 Cb 0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1e9m s ALA 74 CO 0.71 -2.05 1.44 -0.47 0.00 0.00 0.00 175.76 175.39 1e9m s TYR 75 N -2.74 2.41 -1.00 0.00 5.04 -1.26 -3.92 117.35 115.88 1e9m s TYR 75 Ca 0.64 0.72 -0.12 0.00 -2.44 0.00 0.00 57.07 55.87 1e9m s TYR 75 Cb -0.20 -4.02 -0.02 0.00 0.35 0.00 0.00 41.96 38.07 1e9m s TYR 75 CO 0.55 -2.19 0.77 0.39 -1.34 0.00 0.00 175.55 173.73 1e9m n GLU 76 N 7.63 -1.43 -2.24 4.97 1.02 -1.26 -4.93 120.64 124.40 1e9m n GLU 76 Ca 0.17 0.77 -0.39 0.00 -0.02 0.00 0.00 57.16 57.69 1e9m n GLU 76 Cb 0.46 -4.47 -0.02 0.00 -0.02 0.00 0.00 31.44 27.40 1e9m n GLU 76 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1e9m s PRO 77 N -4.99 4.07 -0.24 3.49 0.04 -1.25 -5.02 135.00 131.09 1e9m s PRO 77 Ca 0.32 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1e9m s PRO 77 Cb -0.10 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1e9m s PRO 77 CO 0.83 -0.33 -0.02 1.21 0.04 0.00 0.00 177.00 178.73 1e9m s ASN 78 N -1.00 4.51 0.48 6.66 3.84 -1.26 -5.01 114.94 123.16 1e9m s ASN 78 Ca 0.56 -0.57 0.22 0.00 0.21 0.00 0.00 52.86 53.29 1e9m s ASN 78 Cb -0.33 -1.76 1.24 0.00 -0.55 0.00 0.00 41.25 39.86 1e9m s ASN 78 CO 0.42 -0.08 1.91 -0.65 -2.79 0.00 0.00 177.10 175.91 1e9m h PRO 79 N 8.12 0.21 0.02 0.43 0.11 -1.95 0.47 132.00 139.41 1e9m h PRO 79 Ca -0.37 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.42 1e9m h PRO 79 Cb 1.14 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1e9m h PRO 79 CO 0.60 0.14 -1.80 0.00 -0.21 0.00 0.00 178.00 176.72 1e9m n ALA 80 N -2.59 1.41 0.02 -0.75 0.00 -1.26 -4.69 120.51 112.64 1e9m n ALA 80 Ca 0.15 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.82 1e9m n ALA 80 Cb 0.69 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 1e9m n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1e9m n THR 81 N -3.09 0.00 -1.91 0.00 -2.24 -1.09 -5.00 114.28 100.96 1e9m n THR 81 Ca -0.20 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1e9m n THR 81 Cb 1.06 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.86 1e9m n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1e9m s SER 82 N -1.93 6.54 0.10 3.42 0.01 0.14 -1.31 113.70 120.66 1e9m s SER 82 Ca -0.00 2.75 -0.11 0.00 1.31 0.00 0.00 55.95 59.90 1e9m s SER 82 Cb 0.01 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1e9m s SER 82 CO 0.07 -0.81 0.24 -0.13 0.41 0.00 0.00 173.24 173.02 1e9m s ARG 83 N 0.12 0.90 -0.30 12.44 1.81 -0.60 -4.94 118.95 128.37 1e9m s ARG 83 Ca 0.64 -0.90 -0.14 0.00 -1.72 0.00 0.00 55.73 53.62 1e9m s ARG 83 Cb -0.45 0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.40 1e9m s ARG 83 CO 0.40 -0.31 0.32 -0.51 -0.68 0.00 0.00 175.30 174.53 1e9m s LEU 84 N -2.85 4.21 0.60 2.53 1.43 -1.26 -1.74 118.68 121.60 1e9m s LEU 84 Ca 0.04 -0.01 0.36 0.00 -1.03 0.00 0.00 54.13 53.49 1e9m s LEU 84 Cb 0.04 -2.31 1.89 0.00 0.03 0.00 0.00 46.19 45.84 1e9m s LEU 84 CO -0.11 -0.22 2.21 0.71 0.23 0.00 0.00 176.35 179.17 1e9m h THR 85 N 5.45 0.24 0.00 5.49 1.35 -1.79 -1.08 112.91 122.57 1e9m h THR 85 Ca -0.32 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1e9m h THR 85 Cb 1.16 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1e9m h THR 85 CO 0.64 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 1e9m n GLN 87 N -1.39 2.12 -3.72 0.00 1.13 -0.41 -4.86 117.38 110.25 1e9m n GLN 87 Ca 0.08 -1.96 -0.38 0.00 -1.94 0.00 0.00 57.00 52.81 1e9m n GLN 87 Cb 0.22 -1.43 -0.12 0.00 0.11 0.00 0.00 30.24 29.03 1e9m n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1e9m s ILE 88 N -1.52 4.01 0.05 5.09 1.01 -0.99 -5.04 121.20 123.80 1e9m s ILE 88 Ca 0.29 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 1e9m s ILE 88 Cb 0.19 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1e9m s ILE 88 CO 0.27 -0.10 0.83 -0.75 0.00 0.00 0.00 174.94 175.19 1e9m s LYS 89 N 1.47 4.55 0.16 2.79 2.20 -1.26 -1.01 119.74 128.64 1e9m s LYS 89 Ca 0.01 1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 56.49 1e9m s LYS 89 Cb -0.19 -3.38 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 1e9m s LYS 89 CO 0.03 0.22 0.95 0.08 -0.36 0.00 0.00 175.35 176.27 1e9m s VAL 90 N 0.11 4.34 0.13 4.02 1.01 0.56 -4.91 120.40 125.65 1e9m s VAL 90 Ca 0.42 2.06 -0.01 0.00 0.00 0.00 0.00 61.98 64.44 1e9m s VAL 90 Cb -0.21 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1e9m s VAL 90 CO 0.25 0.39 0.07 0.42 0.00 0.00 0.00 175.10 176.23 1e9m s THR 91 N -0.48 0.10 0.56 3.92 -4.23 -1.26 -0.71 115.64 113.55 1e9m s THR 91 Ca 0.44 -1.89 0.26 0.00 -1.18 0.00 0.00 61.69 59.33 1e9m s THR 91 Cb -0.24 -2.03 0.36 0.00 1.34 0.00 0.00 72.50 71.92 1e9m s THR 91 CO 0.30 -0.46 2.08 0.77 -0.54 0.00 0.00 174.62 176.77 1e9m h SER 92 N 2.85 0.00 0.87 3.99 4.64 -1.97 0.24 113.55 124.17 1e9m h SER 92 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1e9m h SER 92 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1e9m h SER 92 CO 0.59 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.48 1e9m h LEU 93 N 0.00 0.00 -1.96 5.97 3.38 -2.00 -2.53 115.31 118.17 1e9m h LEU 93 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1e9m h LEU 93 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1e9m h LEU 93 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1e9m n LEU 94 N -3.02 2.91 -4.63 1.67 4.77 0.07 -4.89 117.00 113.88 1e9m n LEU 94 Ca 0.00 -1.46 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 1e9m n LEU 94 Cb 0.27 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1e9m n LEU 94 CO 0.26 0.58 1.64 -0.62 -1.33 0.00 0.00 177.39 177.91 1e9m s ASP 95 N -0.84 6.04 0.00 -1.43 2.15 -0.96 -0.68 116.67 120.94 1e9m s ASP 95 Ca 0.32 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1e9m s ASP 95 Cb 0.19 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1e9m s ASP 95 CO 0.18 -1.47 0.00 0.61 -0.17 0.00 0.00 175.17 174.32 1e9m n GLY 96 N 5.06 0.59 3.63 2.66 0.00 0.18 -4.83 105.19 112.48 1e9m n GLY 96 Ca 0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.78 1e9m n GLY 96 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1e9m n LEU 97 N 0.00 2.38 -4.36 0.99 7.94 0.14 -4.73 117.00 119.36 1e9m n LEU 97 Ca 0.00 1.13 -0.33 0.00 -1.11 0.00 0.00 56.01 55.70 1e9m n LEU 97 Cb 0.00 -1.33 -0.14 0.00 0.53 0.00 0.00 43.42 42.48 1e9m n LEU 97 CO 0.00 -0.82 -0.43 -0.69 -1.11 0.00 0.00 177.39 174.34 1e9m s VAL 98 N 0.07 3.12 -0.06 1.96 1.01 -1.26 -0.51 120.40 124.72 1e9m s VAL 98 Ca 0.73 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1e9m s VAL 98 Cb -0.76 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1e9m s VAL 98 CO 0.49 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 175.25 1e9m s VAL 99 N 0.57 1.38 -0.20 2.92 1.01 0.55 -1.56 120.40 125.06 1e9m s VAL 99 Ca -0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1e9m s VAL 99 Cb -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1e9m s VAL 99 CO 0.03 0.40 0.10 -1.00 0.00 0.00 0.00 175.10 174.64 1e9m s HIS 100 N 0.36 3.30 0.14 5.22 3.76 0.73 -0.64 115.29 128.17 1e9m s HIS 100 Ca -0.11 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.76 1e9m s HIS 100 Cb -0.14 -2.14 -0.07 0.00 1.11 0.00 0.00 32.58 31.33 1e9m s HIS 100 CO 0.04 0.15 0.63 -0.51 -0.85 0.00 0.00 174.74 174.20 1e9m s LEU 101 N 0.55 4.43 0.86 0.89 1.43 0.33 -0.23 118.68 126.94 1e9m s LEU 101 Ca 0.05 1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 1e9m s LEU 101 Cb -0.12 -3.23 0.10 0.00 0.03 0.00 0.00 46.19 42.97 1e9m s LEU 101 CO 0.00 0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.69 1e9m s PRO 102 N -1.59 1.61 0.39 1.29 0.04 -1.26 -2.85 135.00 132.62 1e9m s PRO 102 Ca 0.36 0.54 0.13 0.00 0.04 0.00 0.00 61.00 62.07 1e9m s PRO 102 Cb -0.18 -1.87 0.78 0.00 0.04 0.00 0.00 34.50 33.27 1e9m s PRO 102 CO 0.20 -1.93 1.87 1.49 0.04 0.00 0.00 177.00 178.67 1e9m h GLU 103 N -1.31 0.02 -3.06 4.56 4.81 -1.96 -3.42 114.58 114.22 1e9m h GLU 103 Ca -0.49 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1e9m h GLU 103 Cb 1.29 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.53 1e9m h GLU 103 CO 0.60 0.34 0.03 0.15 -0.73 0.00 0.00 179.01 179.39 1e9m s LYS 104 N -4.32 1.10 -0.08 1.92 1.02 -1.26 -5.05 119.74 113.06 1e9m s LYS 104 Ca -0.03 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.52 1e9m s LYS 104 Cb 0.15 0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 37.94 1e9m s LYS 104 CO 0.72 -0.43 -0.19 -0.65 -0.92 0.00 0.00 175.35 173.88 1e9m s GLN 105 N -3.24 2.85 0.00 1.68 -1.52 -1.26 -4.58 119.66 113.60 1e9m s GLN 105 Ca -0.01 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 1e9m s GLN 105 Cb 0.00 -2.37 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 1e9m s GLN 105 CO -0.08 0.36 0.19 0.44 -0.25 0.00 0.00 175.29 175.95