#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6p s GLN 2 N 0.00 2.65 -0.06 6.28 -0.21 -1.26 -4.81 119.66 122.25 2h6p s GLN 2 Ca 0.00 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 54.80 2h6p s GLN 2 Cb 0.00 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 2h6p s GLN 2 CO 0.00 0.64 -0.23 1.03 -2.12 0.00 0.00 175.29 174.61 2h6p s ARG 3 N -1.04 2.45 0.27 2.91 0.52 0.22 -4.95 118.95 119.32 2h6p s ARG 3 Ca 0.14 -0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 54.24 2h6p s ARG 3 Cb -0.11 -2.04 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 2h6p s ARG 3 CO 0.04 0.32 0.91 -0.08 0.02 0.00 0.00 175.30 176.51 2h6p s THR 4 N -0.04 4.18 0.28 0.02 -1.32 -1.26 -1.94 115.64 115.56 2h6p s THR 4 Ca -0.06 1.90 -0.29 0.00 -1.21 0.00 0.00 61.69 62.03 2h6p s THR 4 Cb -0.14 -4.16 -0.10 0.00 -1.51 0.00 0.00 72.50 66.60 2h6p s THR 4 CO 0.04 0.34 1.31 -2.16 -2.21 0.00 0.00 174.62 171.94 2h6p s PRO 5 N -1.58 4.37 0.26 7.08 0.04 -1.26 -4.35 135.00 139.57 2h6p s PRO 5 Ca 0.44 2.15 -0.26 0.00 0.04 0.00 0.00 61.00 63.37 2h6p s PRO 5 Cb -0.22 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 2h6p s PRO 5 CO 0.27 -0.21 0.88 0.15 0.04 0.00 0.00 177.00 178.14 2h6p s LYS 6 N -1.09 4.61 -0.09 4.56 1.02 0.10 -4.90 119.74 123.95 2h6p s LYS 6 Ca 0.52 1.28 0.01 0.00 0.02 0.00 0.00 55.97 57.80 2h6p s LYS 6 Cb -0.39 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2h6p s LYS 6 CO 0.46 0.42 -0.11 0.42 -0.92 0.00 0.00 175.35 175.62 2h6p s ILE 7 N -1.40 1.13 -0.08 2.17 1.01 -1.26 -1.77 121.20 121.00 2h6p s ILE 7 Ca 0.44 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2h6p s ILE 7 Cb -0.21 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.19 2h6p s ILE 7 CO 0.26 0.37 -0.20 -1.10 0.00 0.00 0.00 174.94 174.27 2h6p s GLN 8 N 1.13 2.54 -0.14 2.79 -0.21 -0.42 -4.99 119.66 120.36 2h6p s GLN 8 Ca -0.06 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.62 2h6p s GLN 8 Cb -0.14 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.89 2h6p s GLN 8 CO -0.02 0.15 -0.19 0.08 -2.12 0.00 0.00 175.29 173.19 2h6p s VAL 9 N 0.39 2.39 0.19 1.09 1.01 -1.26 -0.51 120.40 123.69 2h6p s VAL 9 Ca -0.16 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 2h6p s VAL 9 Cb -0.17 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2h6p s VAL 9 CO 0.07 0.54 0.89 -0.72 0.00 0.00 0.00 175.10 175.87 2h6p s TYR 10 N 0.68 -0.15 0.11 5.22 -0.85 -0.72 -4.46 117.35 117.19 2h6p s TYR 10 Ca -0.09 -0.20 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 2h6p s TYR 10 Cb -0.16 0.66 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 2h6p s TYR 10 CO 0.02 -0.95 0.09 -1.54 -1.52 0.00 0.00 175.55 171.65 2h6p s SER 11 N -2.93 5.46 0.15 -0.18 1.04 -1.26 -0.04 113.70 115.94 2h6p s SER 11 Ca 0.12 -0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 2h6p s SER 11 Cb -0.03 -1.43 0.01 0.00 0.10 0.00 0.00 66.02 64.67 2h6p s SER 11 CO 0.04 0.14 1.76 -0.09 0.98 0.00 0.00 173.24 176.06 2h6p h ARG 12 N 3.01 0.58 -6.23 4.02 2.43 -1.69 -3.44 114.38 113.06 2h6p h ARG 12 Ca -0.47 -0.06 -0.56 0.00 -0.81 0.00 0.00 59.98 58.07 2h6p h ARG 12 Cb 1.18 -0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 30.51 2h6p h ARG 12 CO 0.64 0.46 -0.65 -1.01 -1.51 0.00 0.00 179.97 177.90 2h6p s HIS 13 N -5.89 2.71 0.10 2.20 3.76 -1.26 -5.05 115.29 111.86 2h6p s HIS 13 Ca -0.13 -0.21 -0.36 0.00 -0.15 0.00 0.00 55.06 54.21 2h6p s HIS 13 Cb 0.11 -1.21 -0.15 0.00 1.11 0.00 0.00 32.58 32.43 2h6p s HIS 13 CO 0.74 0.61 1.46 -2.30 -0.85 0.00 0.00 174.74 174.39 2h6p n PRO 14 N -0.79 1.58 -1.99 8.40 -0.02 -1.26 -4.86 135.00 136.06 2h6p n PRO 14 Ca -0.07 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 2h6p n PRO 14 Cb 0.58 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2h6p n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h6p s ALA 15 N 0.81 3.66 -0.08 3.55 0.00 -1.26 -5.01 121.76 123.44 2h6p s ALA 15 Ca 0.83 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.92 2h6p s ALA 15 Cb -0.84 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 18.63 2h6p s ALA 15 CO 0.44 -1.07 -0.02 -1.21 0.00 0.00 0.00 175.76 173.90 2h6p s GLU 16 N 2.60 0.85 0.13 0.00 2.02 -1.26 -5.12 118.70 117.92 2h6p s GLU 16 Ca 0.72 0.00 -0.31 0.00 0.02 0.00 0.00 54.97 55.40 2h6p s GLU 16 Cb -0.38 -1.10 -0.11 0.00 0.10 0.00 0.00 34.13 32.64 2h6p s GLU 16 CO 0.31 -0.27 1.85 0.09 0.02 0.00 0.00 175.26 177.26 2h6p n ASN 17 N 4.98 4.10 0.00 -0.19 3.02 -1.26 -1.82 115.26 124.10 2h6p n ASN 17 Ca -0.10 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 2h6p n ASN 17 Cb 0.50 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 2h6p n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h6p n GLY 18 N 4.26 0.76 3.46 7.41 0.00 -0.75 -5.02 105.19 115.32 2h6p n GLY 18 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2h6p n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h6p s LYS 19 N -0.48 3.37 0.35 1.61 2.20 -0.75 -5.02 119.74 121.02 2h6p s LYS 19 Ca 0.00 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2h6p s LYS 19 Cb 0.00 -2.74 -0.11 0.00 -1.51 0.00 0.00 37.83 33.47 2h6p s LYS 19 CO 0.00 0.32 1.48 0.45 -0.36 0.00 0.00 175.35 177.24 2h6p s SER 20 N 0.12 6.42 0.10 1.43 0.15 -1.26 -4.22 113.70 116.45 2h6p s SER 20 Ca -0.03 2.96 -0.01 0.00 0.70 0.00 0.00 55.95 59.57 2h6p s SER 20 Cb -0.14 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2h6p s SER 20 CO 0.04 -0.83 0.15 -3.20 1.20 0.00 0.00 173.24 170.60 2h6p n ASN 21 N 0.94 -0.41 -4.15 5.45 2.85 0.73 -5.00 115.26 115.68 2h6p n ASN 21 Ca 0.03 -1.55 -0.29 0.00 -0.11 0.00 0.00 54.58 52.65 2h6p n ASN 21 Cb 0.39 0.76 -0.17 0.00 1.24 0.00 0.00 39.78 42.00 2h6p n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2h6p s PHE 22 N -4.49 2.12 -0.24 1.20 0.40 -1.26 -1.13 117.98 114.58 2h6p s PHE 22 Ca 0.08 -0.81 -0.16 0.00 -0.60 0.00 0.00 56.93 55.44 2h6p s PHE 22 Cb -0.00 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2h6p s PHE 22 CO 0.06 -0.34 0.40 -1.17 0.70 0.00 0.00 175.22 174.87 2h6p s LEU 23 N 0.38 4.09 -0.08 -0.37 2.96 0.57 -1.61 118.68 124.63 2h6p s LEU 23 Ca -0.15 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 2h6p s LEU 23 Cb -0.16 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2h6p s LEU 23 CO 0.06 -0.14 -0.06 0.20 -1.32 0.00 0.00 176.35 175.09 2h6p s ASN 24 N 1.35 4.69 -0.21 3.68 0.01 0.95 -2.09 114.94 123.32 2h6p s ASN 24 Ca 0.17 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2h6p s ASN 24 Cb -0.15 -1.24 0.05 0.00 0.41 0.00 0.00 41.25 40.32 2h6p s ASN 24 CO 0.09 0.35 -0.06 0.00 -1.51 0.00 0.00 177.10 175.96 2h6p s TYR 26 N 1.45 3.22 -0.15 0.00 5.04 0.33 -0.91 117.35 126.33 2h6p s TYR 26 Ca -0.03 -0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.21 2h6p s TYR 26 Cb -0.17 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 2h6p s TYR 26 CO -0.07 -0.41 -0.01 0.14 -1.34 0.00 0.00 175.55 173.86 2h6p s VAL 27 N 1.69 4.12 0.19 3.14 -7.23 -0.59 -1.30 120.40 120.41 2h6p s VAL 27 Ca 0.05 -0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 59.80 2h6p s VAL 27 Cb -0.17 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.97 2h6p s VAL 27 CO 0.09 0.50 0.43 -0.94 -0.31 0.00 0.00 175.10 174.88 2h6p s SER 28 N 0.20 -0.13 -1.05 4.85 1.04 -0.73 -0.68 113.70 117.20 2h6p s SER 28 Ca -0.01 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2h6p s SER 28 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2h6p s SER 28 CO 0.02 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2h6p n GLY 29 N -0.30 0.99 3.74 7.32 0.00 -0.70 0.01 105.19 116.25 2h6p n GLY 29 Ca -0.08 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2h6p n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2h6p s PHE 30 N -2.40 3.02 -0.28 1.61 -0.12 -1.20 -4.35 117.98 114.27 2h6p s PHE 30 Ca 0.00 -0.06 -0.18 0.00 -0.05 0.00 0.00 56.93 56.64 2h6p s PHE 30 Cb 0.00 -1.47 0.08 0.00 -0.63 0.00 0.00 43.02 41.00 2h6p s PHE 30 CO 0.00 0.52 0.71 -1.58 -0.05 0.00 0.00 175.22 174.82 2h6p s HIS 31 N -1.69 -0.98 1.27 3.49 2.46 -0.82 -0.82 115.29 118.20 2h6p s HIS 31 Ca 0.29 2.04 -0.21 0.00 0.47 0.00 0.00 55.06 57.65 2h6p s HIS 31 Cb -0.10 0.55 0.32 0.00 -0.13 0.00 0.00 32.58 33.21 2h6p s HIS 31 CO 0.21 -0.48 1.09 -1.25 -2.47 0.00 0.00 174.74 171.84 2h6p s PRO 32 N 1.34 -1.79 0.36 2.88 0.04 -1.26 -0.61 135.00 135.96 2h6p s PRO 32 Ca -0.08 -0.17 0.19 0.00 0.04 0.00 0.00 61.00 60.99 2h6p s PRO 32 Cb -0.05 -1.54 0.44 0.00 0.04 0.00 0.00 34.50 33.39 2h6p s PRO 32 CO -0.15 -4.06 1.62 0.66 0.04 0.00 0.00 177.00 175.10 2h6p h SER 33 N -2.83 0.00 -2.56 6.66 4.64 -1.99 -3.45 113.55 114.01 2h6p h SER 33 Ca -0.42 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 2h6p h SER 33 Cb 1.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 2h6p h SER 33 CO 0.28 0.33 1.09 -1.81 -0.87 0.00 0.00 176.83 175.85 2h6p s ASP 34 N -6.33 6.48 -0.10 4.97 1.11 -1.26 -4.98 116.67 116.57 2h6p s ASP 34 Ca 0.03 2.66 -0.20 0.00 0.18 0.00 0.00 52.55 55.22 2h6p s ASP 34 Cb 0.08 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.56 2h6p s ASP 34 CO 0.69 -0.97 0.50 -0.51 1.18 0.00 0.00 175.17 176.06 2h6p s ILE 35 N 2.89 0.02 -0.19 0.77 2.07 -1.26 -4.61 121.20 120.89 2h6p s ILE 35 Ca 0.79 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.88 2h6p s ILE 35 Cb -0.44 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.39 2h6p s ILE 35 CO 0.35 -0.08 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.58 2h6p s GLU 36 N -0.59 3.24 -0.08 3.50 2.02 -0.13 -4.99 118.70 121.67 2h6p s GLU 36 Ca -0.07 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2h6p s GLU 36 Cb -0.03 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.45 2h6p s GLU 36 CO 0.04 -0.12 -0.05 0.08 0.02 0.00 0.00 175.26 175.23 2h6p s VAL 37 N 1.19 0.73 0.02 2.63 1.01 -1.26 -0.29 120.40 124.43 2h6p s VAL 37 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2h6p s VAL 37 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2h6p s VAL 37 CO -0.05 0.30 -0.17 -1.81 0.00 0.00 0.00 175.10 173.38 2h6p s ASP 38 N 1.42 1.95 -0.09 3.32 1.01 -0.20 -4.99 116.67 119.09 2h6p s ASP 38 Ca -0.02 -0.40 -0.14 0.00 0.71 0.00 0.00 52.55 52.70 2h6p s ASP 38 Cb -0.13 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 2h6p s ASP 38 CO -0.03 0.14 0.35 -0.76 0.21 0.00 0.00 175.17 175.07 2h6p s LEU 39 N -0.82 4.36 -0.06 1.23 1.43 -1.26 -0.35 118.68 123.21 2h6p s LEU 39 Ca 0.05 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 2h6p s LEU 39 Cb -0.07 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2h6p s LEU 39 CO 0.01 0.21 -0.15 -0.76 0.23 0.00 0.00 176.35 175.89 2h6p s LEU 40 N -0.28 2.69 -0.26 1.79 1.43 -0.02 -0.54 118.68 123.48 2h6p s LEU 40 Ca 0.20 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2h6p s LEU 40 Cb -0.15 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2h6p s LEU 40 CO 0.08 0.31 -0.04 -0.75 0.23 0.00 0.00 176.35 176.18 2h6p s LYS 41 N -0.50 2.74 -1.57 1.70 2.20 0.77 -2.04 119.74 123.04 2h6p s LYS 41 Ca 0.07 -1.05 -0.15 0.00 -0.36 0.00 0.00 55.97 54.48 2h6p s LYS 41 Cb -0.12 -3.04 0.11 0.00 -1.51 0.00 0.00 37.83 33.27 2h6p s LYS 41 CO 0.02 -0.46 0.86 0.09 -0.36 0.00 0.00 175.35 175.50 2h6p n ASN 42 N 4.66 -4.22 0.00 1.43 3.02 0.11 -1.22 115.26 119.05 2h6p n ASN 42 Ca -0.16 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2h6p n ASN 42 Cb 0.46 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 2h6p n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h6p n GLY 43 N -1.52 1.71 3.79 7.41 0.00 -1.26 -5.04 105.19 110.28 2h6p n GLY 43 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2h6p n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h6p s GLU 44 N -0.40 3.90 0.08 1.61 2.02 -0.36 -5.00 118.70 120.56 2h6p s GLU 44 Ca 0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 54.97 54.55 2h6p s GLU 44 Cb 0.00 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.82 2h6p s GLU 44 CO 0.00 0.49 1.68 0.50 0.02 0.00 0.00 175.26 177.95 2h6p s ARG 45 N -0.21 4.19 0.10 1.61 3.52 -1.26 -0.16 118.95 126.73 2h6p s ARG 45 Ca 0.12 2.38 -0.29 0.00 -0.13 0.00 0.00 55.73 57.81 2h6p s ARG 45 Cb -0.12 -3.57 -0.06 0.00 -1.56 0.00 0.00 34.95 29.64 2h6p s ARG 45 CO 0.01 -0.75 0.93 0.42 -0.81 0.00 0.00 175.30 175.11 2h6p s ILE 46 N 2.57 4.55 0.66 4.11 1.01 0.29 -4.89 121.20 129.50 2h6p s ILE 46 Ca 0.75 2.00 -0.08 0.00 0.00 0.00 0.00 60.65 63.31 2h6p s ILE 46 Cb -0.41 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 37.80 2h6p s ILE 46 CO 0.33 0.32 1.00 -1.61 0.00 0.00 0.00 174.94 174.99 2h6p s GLU 47 N 0.01 2.71 -1.65 2.79 2.02 -1.26 -4.37 118.70 118.95 2h6p s GLU 47 Ca 0.46 0.11 -0.00 0.00 0.02 0.00 0.00 54.97 55.56 2h6p s GLU 47 Cb -0.23 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2h6p s GLU 47 CO 0.29 -0.97 0.01 1.63 0.02 0.00 0.00 175.26 176.24 2h6p n LYS 48 N -2.83 -1.86 -2.63 1.61 5.02 -1.26 -4.96 118.16 111.24 2h6p n LYS 48 Ca 0.06 0.93 -0.42 0.00 -2.02 0.00 0.00 58.31 56.86 2h6p n LYS 48 Cb 0.58 -5.59 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 2h6p n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2h6p s VAL 49 N -2.97 4.65 0.32 -0.18 1.01 -1.26 -4.87 120.40 117.10 2h6p s VAL 49 Ca 0.01 1.92 0.07 0.00 0.00 0.00 0.00 61.98 63.98 2h6p s VAL 49 Cb -0.00 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2h6p s VAL 49 CO 0.01 0.05 0.41 -1.61 0.00 0.00 0.00 175.10 173.96 2h6p s GLU 50 N 1.75 3.08 0.05 2.72 2.02 -0.39 -4.92 118.70 123.01 2h6p s GLU 50 Ca 0.51 -1.04 -0.05 0.00 0.02 0.00 0.00 54.97 54.42 2h6p s GLU 50 Cb -0.21 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 2h6p s GLU 50 CO 0.22 0.13 0.07 -3.38 0.02 0.00 0.00 175.26 172.32 2h6p s HIS 51 N -2.17 0.27 0.94 1.61 -3.43 -1.26 -0.69 115.29 110.56 2h6p s HIS 51 Ca 0.42 -0.64 -0.12 0.00 -0.80 0.00 0.00 55.06 53.92 2h6p s HIS 51 Cb -0.09 -0.19 0.16 0.00 -1.43 0.00 0.00 32.58 31.03 2h6p s HIS 51 CO 0.30 -0.38 1.10 -1.54 -2.00 0.00 0.00 174.74 172.21 2h6p s SER 52 N -2.35 3.09 0.38 7.38 1.04 -0.02 -4.99 113.70 118.23 2h6p s SER 52 Ca -0.02 1.29 -0.24 0.00 0.48 0.00 0.00 55.95 57.46 2h6p s SER 52 Cb 0.01 -1.96 -0.09 0.00 0.10 0.00 0.00 66.02 64.07 2h6p s SER 52 CO -0.06 -2.85 1.01 -1.81 0.98 0.00 0.00 173.24 170.51 2h6p s ASP 53 N -3.50 6.95 0.06 7.02 1.01 -1.26 -4.74 116.67 122.20 2h6p s ASP 53 Ca 0.64 1.96 -0.30 0.00 0.71 0.00 0.00 52.55 55.56 2h6p s ASP 53 Cb -0.18 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.08 2h6p s ASP 53 CO 0.57 -0.35 1.87 -0.22 0.21 0.00 0.00 175.17 177.25 2h6p s LEU 54 N -2.49 4.41 0.28 1.23 2.96 -1.26 -4.90 118.68 118.91 2h6p s LEU 54 Ca 0.56 2.64 0.03 0.00 -0.22 0.00 0.00 54.13 57.14 2h6p s LEU 54 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2h6p s LEU 54 CO 0.26 -1.01 0.19 -0.55 -1.32 0.00 0.00 176.35 173.91 2h6p s SER 55 N 3.68 1.19 0.04 3.68 0.15 -1.24 -5.06 113.70 116.14 2h6p s SER 55 Ca 0.84 -1.57 -0.01 0.00 0.70 0.00 0.00 55.95 55.91 2h6p s SER 55 Cb -0.42 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2h6p s SER 55 CO 0.38 -0.93 -0.03 0.72 1.20 0.00 0.00 173.24 174.58 2h6p s PHE 56 N -3.71 0.47 0.87 3.44 -0.12 -1.26 -1.92 117.98 115.74 2h6p s PHE 56 Ca 0.38 -0.96 -0.09 0.00 -0.05 0.00 0.00 56.93 56.21 2h6p s PHE 56 Cb 0.05 -0.35 0.18 0.00 -0.63 0.00 0.00 43.02 42.27 2h6p s PHE 56 CO 0.19 -0.34 1.19 -1.12 -0.05 0.00 0.00 175.22 175.08 2h6p s SER 57 N -2.63 3.54 0.51 1.98 0.01 0.29 -4.93 113.70 112.47 2h6p s SER 57 Ca 0.02 -0.14 0.18 0.00 1.31 0.00 0.00 55.95 57.33 2h6p s SER 57 Cb 0.04 0.01 1.27 0.00 0.21 0.00 0.00 66.02 67.55 2h6p s SER 57 CO -0.08 -2.42 2.11 0.11 0.41 0.00 0.00 173.24 173.36 2h6p h LYS 58 N -1.17 0.00 -0.26 12.44 1.57 -2.03 -1.45 116.57 125.67 2h6p h LYS 58 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2h6p h LYS 58 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2h6p h LYS 58 CO 0.36 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 178.90 2h6p n ASP 59 N -4.31 1.27 0.00 0.86 5.68 -1.26 -4.90 116.55 113.88 2h6p n ASP 59 Ca -0.03 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2h6p n ASP 59 Cb 0.15 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2h6p n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2h6p n TRP 60 N 0.15 0.00 -2.52 2.11 7.02 -0.55 -5.01 117.44 118.64 2h6p n TRP 60 Ca 0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.17 2h6p n TRP 60 Cb 0.21 -0.09 -0.04 0.00 -2.42 0.00 0.00 31.31 28.96 2h6p n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2h6p s SER 61 N -3.51 7.07 0.50 -0.99 1.04 -1.26 -4.68 113.70 111.88 2h6p s SER 61 Ca 0.00 2.15 -0.10 0.00 0.48 0.00 0.00 55.95 58.48 2h6p s SER 61 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2h6p s SER 61 CO 0.00 -0.27 0.88 -0.36 0.98 0.00 0.00 173.24 174.47 2h6p s PHE 62 N -1.38 3.54 -0.00 5.02 0.40 0.00 -0.55 117.98 125.02 2h6p s PHE 62 Ca 0.50 1.11 -0.06 0.00 -0.60 0.00 0.00 56.93 57.88 2h6p s PHE 62 Cb -0.27 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 40.72 2h6p s PHE 62 CO 0.35 -0.35 0.12 1.52 0.70 0.00 0.00 175.22 177.56 2h6p s TYR 63 N -2.74 0.04 -0.05 0.36 -0.85 -0.81 -1.72 117.35 111.59 2h6p s TYR 63 Ca 0.52 -0.11 -0.09 0.00 -0.52 0.00 0.00 57.07 56.88 2h6p s TYR 63 Cb -0.10 -0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.20 2h6p s TYR 63 CO 0.41 -0.25 0.22 -0.51 -1.52 0.00 0.00 175.55 173.90 2h6p s LEU 64 N -1.22 1.18 -0.22 -3.49 1.43 0.14 -3.68 118.68 112.84 2h6p s LEU 64 Ca -0.13 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2h6p s LEU 64 Cb -0.07 0.85 -0.02 0.00 0.03 0.00 0.00 46.19 46.98 2h6p s LEU 64 CO 0.01 -0.23 0.01 -0.22 0.23 0.00 0.00 176.35 176.16 2h6p s LEU 65 N -0.55 3.26 -0.12 1.79 2.96 -1.26 -1.55 118.68 123.21 2h6p s LEU 65 Ca -0.06 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 2h6p s LEU 65 Cb -0.04 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2h6p s LEU 65 CO 0.01 0.03 0.04 -0.31 -1.32 0.00 0.00 176.35 174.80 2h6p s TYR 66 N 1.22 3.27 -0.02 5.38 1.51 -0.09 -0.84 117.35 127.77 2h6p s TYR 66 Ca 0.03 0.20 -0.19 0.00 -1.01 0.00 0.00 57.07 56.10 2h6p s TYR 66 Cb -0.15 -1.91 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2h6p s TYR 66 CO 0.01 0.40 0.40 1.52 -1.11 0.00 0.00 175.55 176.78 2h6p s TYR 67 N -0.49 -0.30 0.05 2.71 -0.85 0.14 -0.01 117.35 118.60 2h6p s TYR 67 Ca 0.10 0.45 -0.15 0.00 -0.52 0.00 0.00 57.07 56.95 2h6p s TYR 67 Cb -0.12 0.18 0.03 0.00 0.38 0.00 0.00 41.96 42.43 2h6p s TYR 67 CO 0.02 -0.46 0.34 -0.08 -1.52 0.00 0.00 175.55 173.85 2h6p s THR 68 N -1.43 0.08 0.25 -3.49 -1.32 -0.89 -1.26 115.64 107.58 2h6p s THR 68 Ca -0.12 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 59.44 2h6p s THR 68 Cb -0.04 -0.98 -0.09 0.00 -1.51 0.00 0.00 72.50 69.88 2h6p s THR 68 CO 0.05 -0.34 1.26 -1.61 -2.21 0.00 0.00 174.62 171.77 2h6p s GLU 69 N -2.69 4.43 0.07 7.08 2.02 -1.26 -0.31 118.70 128.03 2h6p s GLU 69 Ca -0.04 2.04 -0.16 0.00 0.02 0.00 0.00 54.97 56.84 2h6p s GLU 69 Cb -0.00 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 31.09 2h6p s GLU 69 CO -0.04 -0.14 0.36 -0.59 0.02 0.00 0.00 175.26 174.87 2h6p s PHE 70 N -0.48 -0.17 -0.27 1.61 -0.00 -0.28 -4.84 117.98 113.54 2h6p s PHE 70 Ca 0.52 0.01 0.01 0.00 -0.00 0.00 0.00 56.93 57.47 2h6p s PHE 70 Cb -0.36 0.17 0.06 0.00 -0.00 0.00 0.00 43.02 42.89 2h6p s PHE 70 CO 0.43 -0.58 -0.08 0.99 -0.00 0.00 0.00 175.22 175.98 2h6p s THR 71 N -2.95 2.43 0.37 -4.49 2.01 -1.26 -0.19 115.64 111.57 2h6p s THR 71 Ca -0.02 -1.55 -0.25 0.00 0.31 0.00 0.00 61.69 60.18 2h6p s THR 71 Cb 0.00 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 2h6p s THR 71 CO -0.06 -0.05 1.05 -2.84 -0.69 0.00 0.00 174.62 172.03 2h6p s PRO 72 N 1.15 4.29 0.23 4.92 0.02 -1.26 -4.86 135.00 139.48 2h6p s PRO 72 Ca -0.08 1.54 0.01 0.00 0.02 0.00 0.00 61.00 62.50 2h6p s PRO 72 Cb -0.20 -2.68 -0.00 0.00 0.02 0.00 0.00 34.50 31.64 2h6p s PRO 72 CO -0.04 -0.04 0.04 0.25 -0.33 0.00 0.00 177.00 176.89 2h6p n THR 73 N 0.21 0.00 -0.07 0.99 -2.24 -1.26 -1.81 114.28 110.10 2h6p n THR 73 Ca 0.04 -1.20 -0.15 0.00 -2.27 0.00 0.00 64.05 60.46 2h6p n THR 73 Cb 0.49 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 2h6p n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2h6p h GLU 74 N 0.00 0.80 0.00 -0.78 4.81 -1.98 -3.38 114.58 114.05 2h6p h GLU 74 Ca -0.18 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 58.51 2h6p h GLU 74 Cb 0.62 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2h6p h GLU 74 CO 0.29 1.16 -1.78 1.63 -0.73 0.00 0.00 179.01 179.58 2h6p n LYS 75 N -4.06 0.52 -2.07 1.92 4.76 -1.26 -4.95 118.16 113.02 2h6p n LYS 75 Ca -0.05 -0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 54.81 2h6p n LYS 75 Cb 0.63 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.38 2h6p n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2h6p s ASP 76 N -3.97 6.72 -0.21 4.39 1.01 -1.26 -4.99 116.67 118.35 2h6p s ASP 76 Ca -0.06 2.24 -0.14 0.00 0.71 0.00 0.00 52.55 55.30 2h6p s ASP 76 Cb 0.11 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2h6p s ASP 76 CO 0.71 -0.84 0.30 -1.61 0.21 0.00 0.00 175.17 173.94 2h6p s GLU 77 N 3.09 4.14 0.03 8.23 0.41 -1.26 -4.72 118.70 128.62 2h6p s GLU 77 Ca 0.70 0.01 0.05 0.00 -0.41 0.00 0.00 54.97 55.31 2h6p s GLU 77 Cb -0.34 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.45 2h6p s GLU 77 CO 0.29 0.03 -0.10 0.71 -0.49 0.00 0.00 175.26 175.70 2h6p s TYR 78 N 1.12 2.78 0.24 1.61 1.51 -1.26 0.09 117.35 123.45 2h6p s TYR 78 Ca 0.14 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 2h6p s TYR 78 Cb -0.14 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 2h6p s TYR 78 CO 0.06 0.35 0.43 0.00 -1.11 0.00 0.00 175.55 175.28 2h6p s ALA 79 N -1.01 -0.01 -0.11 3.71 0.00 -0.87 -0.09 121.76 123.38 2h6p s ALA 79 Ca 0.17 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2h6p s ALA 79 Cb -0.11 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.15 2h6p s ALA 79 CO 0.08 -0.82 -0.14 0.00 0.00 0.00 0.00 175.76 174.88 2h6p s ARG 81 N 1.14 3.56 -0.11 0.00 3.52 0.53 -1.01 118.95 126.58 2h6p s ARG 81 Ca -0.04 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2h6p s ARG 81 Cb -0.14 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2h6p s ARG 81 CO -0.04 -0.35 -0.23 0.08 -0.81 0.00 0.00 175.30 173.95 2h6p s VAL 82 N 1.69 2.10 -0.05 7.11 1.01 0.10 -1.03 120.40 131.32 2h6p s VAL 82 Ca 0.06 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2h6p s VAL 82 Cb -0.17 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2h6p s VAL 82 CO 0.09 0.56 -0.25 0.21 0.00 0.00 0.00 175.10 175.70 2h6p s ASN 83 N 0.48 3.06 0.06 3.32 2.47 0.61 -0.27 114.94 124.66 2h6p s ASN 83 Ca -0.15 -0.51 -0.14 0.00 0.42 0.00 0.00 52.86 52.48 2h6p s ASN 83 Cb -0.17 -0.80 0.02 0.00 -1.45 0.00 0.00 41.25 38.85 2h6p s ASN 83 CO 0.06 0.25 0.32 -2.28 -3.72 0.00 0.00 177.10 171.73 2h6p s HIS 84 N -0.20 -0.12 0.54 0.43 5.65 -1.26 -0.95 115.29 119.38 2h6p s HIS 84 Ca -0.03 -0.04 0.23 0.00 0.25 0.00 0.00 55.06 55.47 2h6p s HIS 84 Cb -0.13 0.12 1.41 0.00 -1.18 0.00 0.00 32.58 32.79 2h6p s HIS 84 CO 0.03 -0.54 2.06 -0.24 -0.65 0.00 0.00 174.74 175.40 2h6p h VAL 85 N 3.05 0.76 0.00 0.89 3.04 -1.95 0.04 116.25 122.08 2h6p h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2h6p h VAL 85 Cb 1.21 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2h6p h VAL 85 CO 0.46 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.37 2h6p n THR 86 N -4.32 0.70 -4.09 3.17 -2.24 -1.26 -4.75 114.28 101.50 2h6p n THR 86 Ca 0.05 0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 2h6p n THR 86 Cb 0.41 -0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 2h6p n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2h6p s LEU 87 N -4.24 3.77 0.35 3.22 1.43 -0.00 -4.99 118.68 118.22 2h6p s LEU 87 Ca 0.07 0.10 0.19 0.00 -1.03 0.00 0.00 54.13 53.46 2h6p s LEU 87 Cb 0.11 -1.93 0.32 0.00 0.03 0.00 0.00 46.19 44.71 2h6p s LEU 87 CO 0.46 0.22 1.57 0.77 0.23 0.00 0.00 176.35 179.59 2h6p h SER 88 N 6.37 0.00 -4.30 2.29 4.64 -1.85 -3.43 113.55 117.27 2h6p h SER 88 Ca -0.39 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.74 2h6p h SER 88 Cb 1.18 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.02 2h6p h SER 88 CO 0.67 0.32 -0.63 -1.58 -0.87 0.00 0.00 176.83 174.74 2h6p s GLN 89 N -3.16 0.22 0.23 4.77 2.00 -1.26 -5.13 119.66 117.32 2h6p s GLN 89 Ca 0.04 -0.18 -0.31 0.00 -2.00 0.00 0.00 55.36 52.91 2h6p s GLN 89 Cb 0.07 0.09 -0.14 0.00 0.80 0.00 0.00 33.01 33.83 2h6p s GLN 89 CO 0.70 -0.04 1.27 -2.30 -0.50 0.00 0.00 175.29 174.42 2h6p n PRO 90 N 2.37 1.67 -3.44 1.67 -0.02 -1.26 -4.94 135.00 131.05 2h6p n PRO 90 Ca -0.17 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 2h6p n PRO 90 Cb 0.58 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 2h6p n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2h6p s LYS 91 N -0.62 4.17 -0.30 -0.52 2.20 0.62 -4.88 119.74 120.41 2h6p s LYS 91 Ca 0.68 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 56.32 2h6p s LYS 91 Cb -0.72 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.05 2h6p s LYS 91 CO 0.52 0.01 0.17 0.42 -0.36 0.00 0.00 175.35 176.11 2h6p s ILE 92 N 1.18 4.95 -0.24 5.43 -1.09 -1.26 -0.72 121.20 129.44 2h6p s ILE 92 Ca 0.17 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.43 2h6p s ILE 92 Cb -0.14 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 2h6p s ILE 92 CO 0.07 0.15 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.19 2h6p s VAL 93 N 1.69 3.06 0.51 2.92 1.01 -0.18 -4.94 120.40 124.46 2h6p s VAL 93 Ca 0.06 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 2h6p s VAL 93 Cb -0.16 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 2h6p s VAL 93 CO 0.08 0.27 1.04 -0.54 0.00 0.00 0.00 175.10 175.95 2h6p s LYS 94 N 1.38 3.71 -0.24 2.72 1.02 -1.26 -0.25 119.74 126.82 2h6p s LYS 94 Ca 0.02 1.30 -0.27 0.00 0.02 0.00 0.00 55.97 57.04 2h6p s LYS 94 Cb -0.16 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2h6p s LYS 94 CO -0.04 -0.50 0.94 -0.46 -0.92 0.00 0.00 175.35 174.37 2h6p s TRP 95 N -2.12 3.32 -0.22 3.18 -0.00 0.87 -4.82 118.94 119.15 2h6p s TRP 95 Ca 0.66 1.31 -0.03 0.00 -0.00 0.00 0.00 56.10 58.04 2h6p s TRP 95 Cb -0.16 -3.17 0.00 0.00 -0.00 0.00 0.00 33.47 30.14 2h6p s TRP 95 CO 0.24 -0.45 -0.07 0.34 -0.00 0.00 0.00 176.95 177.02 2h6p s ASP 96 N 1.27 4.13 0.12 5.86 -1.08 -1.26 -4.79 116.67 120.92 2h6p s ASP 96 Ca 0.40 -0.52 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 2h6p s ASP 96 Cb -0.15 -1.69 0.73 0.00 -1.46 0.00 0.00 42.92 40.35 2h6p s ASP 96 CO 0.07 -0.04 1.53 -2.11 0.52 0.00 0.00 175.17 175.13 2h6p n ARG 97 N 4.75 0.08 -0.22 4.34 1.85 -1.26 -1.36 116.66 124.84 2h6p n ARG 97 Ca -0.18 0.36 0.11 0.00 -1.00 0.00 0.00 57.85 57.14 2h6p n ARG 97 Cb 0.50 -1.67 0.26 0.00 -1.05 0.00 0.00 32.46 30.51 2h6p n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2h6p n ASP 98 N -1.82 3.10 0.00 2.89 8.00 -1.26 -4.88 116.55 122.58 2h6p n ASP 98 Ca 0.02 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.57 2h6p n ASP 98 Cb 0.17 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2h6p n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04