#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbo s ARG 2 N 0.00 0.58 -0.11 2.12 3.52 0.07 -0.33 118.95 124.80 2dbo s ARG 2 Ca 0.00 -0.95 -0.09 0.00 -0.13 0.00 0.00 55.73 54.56 2dbo s ARG 2 Cb 0.00 -0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.30 2dbo s ARG 2 CO 0.00 -0.01 0.29 0.00 -0.81 0.00 0.00 175.30 174.77 2dbo s ALA 3 N -2.34 -0.72 -0.31 6.12 0.00 0.53 -1.20 121.76 123.86 2dbo s ALA 3 Ca -0.03 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2dbo s ALA 3 Cb -0.03 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.59 2dbo s ALA 3 CO -0.03 -0.16 0.04 0.08 0.00 0.00 0.00 175.76 175.69 2dbo s VAL 4 N 0.41 3.36 -0.20 0.00 1.01 -0.68 -1.58 120.40 122.71 2dbo s VAL 4 Ca -0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 2dbo s VAL 4 Cb -0.04 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2dbo s VAL 4 CO -0.02 -0.07 -0.02 -0.51 0.00 0.00 0.00 175.10 174.48 2dbo s ILE 5 N 1.34 3.76 -0.19 2.22 2.07 -0.15 -0.85 121.20 129.40 2dbo s ILE 5 Ca -0.02 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 58.81 2dbo s ILE 5 Cb -0.19 -2.70 -0.01 0.00 0.13 0.00 0.00 42.46 39.69 2dbo s ILE 5 CO 0.00 0.43 -0.05 -1.10 -1.91 0.00 0.00 174.94 172.31 2dbo s GLN 6 N 1.12 3.46 -0.01 3.50 -0.21 -0.26 -1.23 119.66 126.03 2dbo s GLN 6 Ca 0.02 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 2dbo s GLN 6 Cb -0.14 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 30.86 2dbo s GLN 6 CO 0.01 -0.02 1.66 0.50 -2.12 0.00 0.00 175.29 175.31 2dbo s ARG 7 N 1.03 4.19 0.31 2.91 3.52 0.22 -1.68 118.95 129.45 2dbo s ARG 7 Ca 0.01 2.25 0.09 0.00 -0.13 0.00 0.00 55.73 57.95 2dbo s ARG 7 Cb -0.15 -3.85 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 2dbo s ARG 7 CO 0.00 -0.80 -0.11 0.14 -0.81 0.00 0.00 175.30 173.72 2dbo s VAL 8 N 3.53 2.14 -0.10 7.11 -7.23 -0.53 -1.77 120.40 123.55 2dbo s VAL 8 Ca 0.74 -2.23 0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2dbo s VAL 8 Cb -0.36 -2.50 -0.15 0.00 0.56 0.00 0.00 36.38 33.93 2dbo s VAL 8 CO 0.31 -0.29 0.08 1.17 -0.31 0.00 0.00 175.10 176.06 2dbo n LYS 9 N -0.69 1.82 -3.62 4.82 4.81 -0.57 -1.80 118.16 122.93 2dbo n LYS 9 Ca -0.05 -0.02 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 2dbo n LYS 9 Cb 0.63 -1.30 -0.07 0.00 0.02 0.00 0.00 35.03 34.30 2dbo n LYS 9 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2dbo s LYS 10 N -2.38 0.86 -0.29 1.64 2.20 -1.25 -1.66 119.74 118.86 2dbo s LYS 10 Ca -0.06 0.50 -0.19 0.00 -0.36 0.00 0.00 55.97 55.86 2dbo s LYS 10 Cb 0.04 0.41 0.15 0.00 -1.51 0.00 0.00 37.83 36.92 2dbo s LYS 10 CO 0.49 -0.20 1.07 0.45 -0.36 0.00 0.00 175.35 176.80 2dbo s SER 11 N -0.48 -0.40 0.16 1.43 0.15 -0.97 -1.93 113.70 111.66 2dbo s SER 11 Ca -0.06 0.67 -0.14 0.00 0.70 0.00 0.00 55.95 57.12 2dbo s SER 11 Cb -0.03 1.01 0.02 0.00 -1.71 0.00 0.00 66.02 65.31 2dbo s SER 11 CO 0.05 -0.11 0.40 -1.66 1.20 0.00 0.00 173.24 173.12 2dbo s TRP 12 N 0.93 0.02 -0.06 3.44 -2.14 -0.01 -1.73 118.94 119.38 2dbo s TRP 12 Ca -0.05 -0.37 0.04 0.00 2.66 0.00 0.00 56.10 58.38 2dbo s TRP 12 Cb -0.04 0.21 -0.02 0.00 -3.10 0.00 0.00 33.47 30.52 2dbo s TRP 12 CO -0.12 -0.78 -0.18 0.08 -2.66 0.00 0.00 176.95 173.28 2dbo s VAL 13 N -3.88 2.67 -0.01 -0.66 1.01 -0.59 0.59 120.40 119.53 2dbo s VAL 13 Ca 0.09 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2dbo s VAL 13 Cb 0.01 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2dbo s VAL 13 CO -0.05 0.57 -0.02 -1.83 0.00 0.00 0.00 175.10 173.77 2dbo s GLU 14 N -0.36 0.21 -0.27 2.72 -1.05 -1.02 0.03 118.70 118.96 2dbo s GLU 14 Ca 0.03 -0.05 -0.05 0.00 -0.15 0.00 0.00 54.97 54.75 2dbo s GLU 14 Cb -0.12 -0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.34 2dbo s GLU 14 CO 0.02 0.02 0.03 0.08 0.95 0.00 0.00 175.26 176.35 2dbo s VAL 15 N 0.14 3.60 -1.91 1.83 1.01 0.30 -1.93 120.40 123.44 2dbo s VAL 15 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2dbo s VAL 15 Cb -0.03 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2dbo s VAL 15 CO -0.00 0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.72 2dbo n ASP 16 N 4.80 -5.36 0.00 3.32 8.00 -1.26 -1.10 116.55 124.96 2dbo n ASP 16 Ca -0.15 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2dbo n ASP 16 Cb 0.48 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 2dbo n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dbo n GLY 17 N -0.74 0.46 3.48 0.44 0.00 -1.26 -5.04 105.19 102.53 2dbo n GLY 17 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2dbo n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dbo s LYS 18 N -0.85 3.10 0.23 1.61 -2.85 -0.25 -5.02 119.74 115.70 2dbo s LYS 18 Ca 0.00 -0.76 -0.31 0.00 -1.00 0.00 0.00 55.97 53.90 2dbo s LYS 18 Cb 0.00 -3.98 -0.12 0.00 -2.06 0.00 0.00 37.83 31.68 2dbo s LYS 18 CO 0.00 -0.89 1.67 0.54 0.10 0.00 0.00 175.35 176.77 2dbo s VAL 19 N 2.19 2.09 -0.14 1.79 0.11 -1.26 -0.54 120.40 124.64 2dbo s VAL 19 Ca 0.13 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2dbo s VAL 19 Cb -0.17 -3.04 0.04 0.00 -1.53 0.00 0.00 36.38 31.67 2dbo s VAL 19 CO 0.14 0.01 0.95 1.33 -3.33 0.00 0.00 175.10 174.20 2dbo n VAL 20 N 3.42 0.83 0.00 2.04 0.24 0.10 -4.89 118.33 120.07 2dbo n VAL 20 Ca 0.13 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 2dbo n VAL 20 Cb 0.36 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 2dbo n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dbo n GLY 21 N -0.28 0.96 3.10 7.63 0.00 -1.21 -4.66 105.19 110.73 2dbo n GLY 21 Ca 0.02 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 2dbo n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbo s SER 22 N 0.00 0.04 0.08 1.61 0.15 -1.26 -1.55 113.70 112.77 2dbo s SER 22 Ca 0.00 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 2dbo s SER 22 Cb 0.00 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2dbo s SER 22 CO 0.00 -0.37 0.15 0.27 1.20 0.00 0.00 173.24 174.49 2dbo s ILE 23 N -1.40 0.15 0.00 6.45 -4.36 -0.71 -4.79 121.20 116.54 2dbo s ILE 23 Ca -0.15 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 2dbo s ILE 23 Cb -0.08 -1.32 0.00 0.00 1.25 0.00 0.00 42.46 42.32 2dbo s ILE 23 CO 0.01 -0.70 0.00 0.59 0.24 0.00 0.00 174.94 175.09 2dbo n ASN 24 N 0.07 0.00 -4.69 4.36 3.02 -1.26 -2.30 115.26 114.46 2dbo n ASN 24 Ca -0.15 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.95 2dbo n ASN 24 Cb 0.62 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.75 2dbo n ASN 24 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2dbo n GLU 25 N 0.00 2.51 0.00 3.52 2.13 -0.67 -3.80 120.64 124.33 2dbo n GLU 25 Ca 0.00 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2dbo n GLU 25 Cb 0.00 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 28.96 2dbo n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dbo n GLY 26 N 3.95 -0.66 3.16 8.31 0.00 -0.74 -1.90 105.19 117.32 2dbo n GLY 26 Ca 0.18 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2dbo n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dbo s LEU 27 N 0.00 1.96 -0.22 0.99 1.43 0.11 -1.45 118.68 121.50 2dbo s LEU 27 Ca 0.00 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2dbo s LEU 27 Cb 0.00 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 2dbo s LEU 27 CO 0.00 0.18 0.13 0.21 0.23 0.00 0.00 176.35 177.11 2dbo s ASN 28 N -0.09 6.01 -0.20 2.29 3.84 -0.68 -0.69 114.94 125.42 2dbo s ASN 28 Ca -0.01 0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.18 2dbo s ASN 28 Cb -0.11 -2.07 0.02 0.00 -0.55 0.00 0.00 41.25 38.54 2dbo s ASN 28 CO 0.02 0.10 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.59 2dbo s VAL 29 N 0.82 2.36 -0.27 -5.21 1.01 0.15 -1.11 120.40 118.17 2dbo s VAL 29 Ca 0.07 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 2dbo s VAL 29 Cb -0.13 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2dbo s VAL 29 CO 0.02 0.44 0.58 -0.36 0.00 0.00 0.00 175.10 175.79 2dbo s PHE 30 N 1.31 3.26 -0.13 5.22 0.08 -0.03 -0.43 117.98 127.26 2dbo s PHE 30 Ca 0.04 0.69 -0.02 0.00 0.12 0.00 0.00 56.93 57.76 2dbo s PHE 30 Cb -0.14 -2.82 -0.02 0.00 -0.57 0.00 0.00 43.02 39.47 2dbo s PHE 30 CO -0.10 -0.34 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.43 2dbo s LEU 31 N 2.44 2.99 -0.12 -0.37 2.96 -0.11 -1.69 118.68 124.79 2dbo s LEU 31 Ca 0.24 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2dbo s LEU 31 Cb -0.15 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2dbo s LEU 31 CO 0.09 0.19 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.37 2dbo s GLY 32 N 0.24 0.95 -0.01 7.98 0.00 -0.34 0.11 107.32 116.25 2dbo s GLY 32 Ca -0.06 -0.68 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 2dbo s GLY 32 CO 0.04 0.57 0.48 0.14 0.00 0.00 0.00 173.10 174.32 2dbo s VAL 33 N 1.43 4.99 0.00 1.40 1.01 -1.26 -0.75 120.40 127.23 2dbo s VAL 33 Ca 0.01 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2dbo s VAL 33 Cb -0.13 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2dbo s VAL 33 CO -0.07 0.49 0.06 -0.60 0.00 0.00 0.00 175.10 174.99 2dbo s ARG 34 N -0.57 2.98 0.33 2.72 3.52 -1.26 -1.12 118.95 125.55 2dbo s ARG 34 Ca 0.26 -0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 2dbo s ARG 34 Cb -0.17 -2.80 -0.12 0.00 -1.56 0.00 0.00 34.95 30.30 2dbo s ARG 34 CO 0.14 0.64 1.44 1.63 -0.81 0.00 0.00 175.30 178.34 2dbo n LYS 35 N 1.19 2.43 0.00 5.12 5.02 0.14 -0.50 118.16 131.56 2dbo n LYS 35 Ca -0.13 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2dbo n LYS 35 Cb 0.53 -2.55 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 2dbo n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dbo n GLY 36 N 1.19 3.12 1.54 0.72 0.00 -1.26 -4.92 105.19 105.58 2dbo n GLY 36 Ca 0.05 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 2dbo n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dbo n ASP 37 N 1.17 -0.54 -2.60 1.61 9.92 0.35 -4.99 116.55 121.47 2dbo n ASP 37 Ca 0.00 0.51 -0.14 0.00 -0.53 0.00 0.00 54.79 54.64 2dbo n ASP 37 Cb 0.00 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.00 2dbo n ASP 37 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2dbo n THR 38 N 0.03 0.00 -0.24 -3.53 -2.24 -1.26 -5.01 114.28 102.02 2dbo n THR 38 Ca 0.08 -1.52 -0.05 0.00 -2.27 0.00 0.00 64.05 60.29 2dbo n THR 38 Cb 0.11 0.69 0.09 0.00 -2.10 0.00 0.00 70.33 69.12 2dbo n THR 38 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2dbo h GLU 39 N 0.00 1.09 -0.17 -0.78 4.39 -2.00 -2.48 114.58 114.63 2dbo h GLU 39 Ca -0.17 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 2dbo h GLU 39 Cb 0.76 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2dbo h GLU 39 CO 0.25 0.92 -0.01 1.49 -1.16 0.00 0.00 179.01 180.51 2dbo h GLU 40 N 1.05 0.24 -0.60 2.33 4.81 -1.99 -1.03 114.58 119.40 2dbo h GLU 40 Ca 0.23 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2dbo h GLU 40 Cb 0.28 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2dbo h GLU 40 CO -0.01 0.28 0.12 -0.44 -0.73 0.00 0.00 179.01 178.23 2dbo h ASP 41 N 0.24 0.90 -0.26 1.04 5.19 -1.82 0.13 116.42 121.83 2dbo h ASP 41 Ca 0.06 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2dbo h ASP 41 Cb 0.18 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2dbo h ASP 41 CO 0.00 0.89 0.15 0.40 -3.12 0.00 0.00 179.24 177.56 2dbo h ILE 42 N 0.90 1.11 0.53 0.35 2.04 -1.11 -2.02 117.51 119.31 2dbo h ILE 42 Ca 0.19 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2dbo h ILE 42 Cb 0.36 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2dbo h ILE 42 CO 0.00 0.10 -0.30 -0.33 0.00 0.00 0.00 178.15 177.63 2dbo h GLU 43 N 0.33 -0.74 -0.19 2.37 4.39 -0.80 0.49 114.58 120.42 2dbo h GLU 43 Ca 0.09 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.90 2dbo h GLU 43 Cb 0.03 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2dbo h GLU 43 CO -0.02 -0.49 0.57 0.87 -1.16 0.00 0.00 179.01 178.78 2dbo h LYS 44 N -0.77 0.00 0.00 2.33 1.57 -0.77 -2.21 116.57 116.72 2dbo h LYS 44 Ca -0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2dbo h LYS 44 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2dbo h LYS 44 CO 0.09 0.00 -0.99 -0.11 -0.57 0.00 0.00 179.45 177.88 2dbo n LEU 45 N -3.04 1.89 -0.23 2.94 7.94 -0.76 -3.95 117.00 121.79 2dbo n LEU 45 Ca 0.03 0.44 0.32 0.00 -1.11 0.00 0.00 56.01 55.68 2dbo n LEU 45 Cb 0.67 -0.80 0.66 0.00 0.53 0.00 0.00 43.42 44.48 2dbo n LEU 45 CO 0.15 -0.24 1.29 0.58 -1.11 0.00 0.00 177.39 178.06 2dbo h VAL 46 N -1.00 0.21 0.33 1.96 2.07 0.22 -1.43 116.25 118.61 2dbo h VAL 46 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2dbo h VAL 46 Cb 0.91 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2dbo h VAL 46 CO -0.05 0.00 -0.16 -1.13 0.02 0.00 0.00 177.57 176.25 2dbo h ASN 47 N 0.00 -0.37 -0.66 0.57 -1.24 -1.60 -2.98 115.58 109.30 2dbo h ASN 47 Ca 0.49 0.01 0.14 0.00 0.71 0.00 0.00 56.30 57.66 2dbo h ASN 47 Cb 2.37 0.10 -0.04 0.00 0.73 0.00 0.00 38.32 41.48 2dbo h ASN 47 CO -0.01 0.07 0.45 0.11 -1.29 0.00 0.00 177.43 176.76 2dbo h LYS 48 N -1.11 0.29 -0.32 6.67 1.79 -1.40 -1.43 116.57 121.07 2dbo h LYS 48 Ca -0.05 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 2dbo h LYS 48 Cb 0.34 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2dbo h LYS 48 CO 0.07 0.19 -0.17 0.82 -1.08 0.00 0.00 179.45 179.29 2dbo h ILE 49 N 0.29 1.29 0.00 1.86 5.03 -1.55 -2.26 117.51 122.17 2dbo h ILE 49 Ca 0.32 -1.28 -0.09 0.00 -0.12 0.00 0.00 64.86 63.69 2dbo h ILE 49 Cb 0.83 1.45 -0.01 0.00 -3.03 0.00 0.00 36.82 36.06 2dbo h ILE 49 CO -0.08 0.41 -0.42 -0.07 -0.68 0.00 0.00 178.15 177.31 2dbo h LEU 50 N 0.43 0.00 -2.61 1.44 4.07 -1.11 -3.21 115.31 114.32 2dbo h LEU 50 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2dbo h LEU 50 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 2dbo h LEU 50 CO 0.05 0.42 0.00 0.59 -1.08 0.00 0.00 178.44 178.42 2dbo n ASN 51 N -4.00 3.44 -4.64 -0.43 3.02 -0.90 -3.67 115.26 108.07 2dbo n ASN 51 Ca -0.02 -1.97 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 2dbo n ASN 51 Cb 0.45 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 2dbo n ASN 51 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2dbo s LEU 52 N -1.11 4.03 -1.23 3.41 0.20 -0.86 -4.71 118.68 118.41 2dbo s LEU 52 Ca 0.37 1.78 -0.18 0.00 0.69 0.00 0.00 54.13 56.79 2dbo s LEU 52 Cb 0.20 -3.53 0.08 0.00 -0.43 0.00 0.00 46.19 42.51 2dbo s LEU 52 CO 0.27 -1.12 1.64 -0.13 -0.29 0.00 0.00 176.35 176.71 2dbo s ARG 53 N 4.38 3.92 -0.01 1.98 1.81 -1.26 -3.65 118.95 126.12 2dbo s ARG 53 Ca 0.70 -1.90 0.09 0.00 -1.72 0.00 0.00 55.73 52.90 2dbo s ARG 53 Cb -0.27 -5.44 -0.13 0.00 -0.45 0.00 0.00 34.95 28.66 2dbo s ARG 53 CO 0.28 -2.18 0.23 0.44 -0.68 0.00 0.00 175.30 173.38 2dbo n ILE 54 N 6.26 0.00 -2.52 1.52 -5.35 -0.57 -3.77 119.36 114.93 2dbo n ILE 54 Ca 0.44 -0.22 -0.33 0.00 -0.27 0.00 0.00 62.75 62.37 2dbo n ILE 54 Cb 0.47 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.73 2dbo n ILE 54 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2dbo s PHE 55 N -2.51 3.26 0.17 4.28 0.40 0.27 -4.13 117.98 119.72 2dbo s PHE 55 Ca -0.02 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.86 2dbo s PHE 55 Cb 0.06 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.66 2dbo s PHE 55 CO 0.38 -0.46 0.03 -1.83 0.70 0.00 0.00 175.22 174.04 2dbo s GLU 56 N -3.61 1.09 0.00 0.44 -1.05 -1.26 -1.28 118.70 113.02 2dbo s GLU 56 Ca 0.62 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2dbo s GLU 56 Cb -0.12 -0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.47 2dbo s GLU 56 CO 0.24 -0.19 0.00 -0.40 0.95 0.00 0.00 175.26 175.85 2dbo n ASP 57 N -0.22 1.24 -0.09 0.83 5.68 -1.11 -5.01 116.55 117.87 2dbo n ASP 57 Ca -0.05 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.38 2dbo n ASP 57 Cb 0.64 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.21 2dbo n ASP 57 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2dbo n GLU 58 N 0.00 0.55 -0.01 0.11 0.00 -1.26 -3.87 120.64 116.16 2dbo n GLU 58 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 57.16 57.09 2dbo n GLU 58 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.80 2dbo n GLU 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dbo n ARG 59 N -1.07 0.41 -3.65 3.44 1.74 -1.26 -5.02 116.66 111.26 2dbo n ARG 59 Ca 0.13 -0.10 -0.03 0.00 -0.77 0.00 0.00 57.85 57.08 2dbo n ARG 59 Cb 0.29 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 2dbo n ARG 59 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2dbo s GLY 60 N -3.76 0.27 0.34 -0.13 0.00 -1.25 -5.16 107.32 97.62 2dbo s GLY 60 Ca -0.01 3.31 -0.03 0.00 0.00 0.00 0.00 44.72 47.99 2dbo s GLY 60 CO 0.87 1.68 0.58 0.54 0.00 0.00 0.00 173.10 176.77 2dbo s LYS 61 N -0.30 3.56 -1.10 2.90 1.02 -1.26 -2.76 119.74 121.79 2dbo s LYS 61 Ca 0.08 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 2dbo s LYS 61 Cb -0.04 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2dbo s LYS 61 CO -0.13 0.14 0.85 1.19 -0.92 0.00 0.00 175.35 176.48 2dbo n PHE 62 N -1.44 -2.18 0.00 3.18 3.72 -1.22 -4.93 117.46 114.59 2dbo n PHE 62 Ca -0.03 0.66 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 2dbo n PHE 62 Cb 0.55 -3.82 0.00 0.00 -0.94 0.00 0.00 39.48 35.27 2dbo n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dbo n GLN 63 N -3.74 3.41 -5.03 -1.08 10.64 -0.67 -4.80 117.38 116.12 2dbo n GLN 63 Ca -0.09 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.78 2dbo n GLN 63 Cb 0.61 -0.52 -0.15 0.00 -0.86 0.00 0.00 30.24 29.32 2dbo n GLN 63 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2dbo s TYR 64 N -0.60 2.20 0.63 2.61 1.51 -0.41 -4.88 117.35 118.41 2dbo s TYR 64 Ca 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2dbo s TYR 64 Cb 0.00 -1.36 0.09 0.00 -0.11 0.00 0.00 41.96 40.57 2dbo s TYR 64 CO 0.00 0.04 0.88 -1.54 -1.11 0.00 0.00 175.55 173.82 2dbo s SER 65 N -0.90 4.80 0.20 2.29 1.04 -1.24 -0.57 113.70 119.32 2dbo s SER 65 Ca 0.10 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 2dbo s SER 65 Cb -0.10 -0.24 0.12 0.00 0.10 0.00 0.00 66.02 65.91 2dbo s SER 65 CO 0.01 -1.51 1.78 1.62 0.98 0.00 0.00 173.24 176.11 2dbo h VAL 66 N -0.18 1.23 0.58 5.02 3.04 -1.71 -2.05 116.25 122.19 2dbo h VAL 66 Ca -0.37 -0.66 -0.03 0.00 -1.01 0.00 0.00 66.70 64.63 2dbo h VAL 66 Cb 1.28 0.36 0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2dbo h VAL 66 CO 0.44 0.27 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.92 2dbo h LEU 67 N 0.99 -0.66 -0.99 3.16 3.38 -1.91 0.22 115.31 119.49 2dbo h LEU 67 Ca 0.24 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2dbo h LEU 67 Cb 0.12 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 2dbo h LEU 67 CO -0.03 -0.42 -0.42 0.44 0.09 0.00 0.00 178.44 178.10 2dbo h ASP 68 N -0.86 -1.55 -0.01 -0.43 3.32 -1.78 1.01 116.42 116.12 2dbo h ASP 68 Ca -0.08 0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2dbo h ASP 68 Cb 0.63 0.79 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2dbo h ASP 68 CO 0.13 -0.28 0.00 2.30 -1.72 0.00 0.00 179.24 179.67 2dbo n ILE 69 N -5.44 0.01 -3.66 0.35 -6.64 -0.80 -4.92 119.36 98.26 2dbo n ILE 69 Ca 0.09 -0.11 -0.21 0.00 -1.77 0.00 0.00 62.75 60.75 2dbo n ILE 69 Cb 0.38 -0.08 0.04 0.00 -1.44 0.00 0.00 39.64 38.54 2dbo n ILE 69 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2dbo n LYS 70 N -0.50 -4.73 -2.17 6.28 5.02 0.35 -4.98 118.16 117.43 2dbo n LYS 70 Ca 0.21 0.64 -0.27 0.00 -2.02 0.00 0.00 58.31 56.87 2dbo n LYS 70 Cb 0.21 -5.20 0.10 0.00 -0.02 0.00 0.00 35.03 30.12 2dbo n LYS 70 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dbo s GLY 71 N -4.28 1.71 0.12 0.72 0.00 0.47 -4.97 107.32 101.10 2dbo s GLY 71 Ca 0.04 -1.10 -0.00 0.00 0.00 0.00 0.00 44.72 43.66 2dbo s GLY 71 CO 0.81 -0.57 0.29 -0.54 0.00 0.00 0.00 173.10 173.09 2dbo s GLU 72 N -5.41 3.49 -0.04 2.90 2.02 -0.80 -4.33 118.70 116.53 2dbo s GLU 72 Ca 0.65 -0.39 0.05 0.00 0.02 0.00 0.00 54.97 55.29 2dbo s GLU 72 Cb -0.08 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2dbo s GLU 72 CO 0.47 0.52 -0.18 0.42 0.02 0.00 0.00 175.26 176.51 2dbo s ILE 73 N -1.66 1.49 -0.23 -1.63 1.01 -0.19 0.09 121.20 120.08 2dbo s ILE 73 Ca 0.37 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2dbo s ILE 73 Cb -0.12 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.13 2dbo s ILE 73 CO 0.28 0.43 -0.08 -0.22 0.00 0.00 0.00 174.94 175.35 2dbo s LEU 74 N -0.09 2.67 -0.17 2.97 0.20 0.13 0.16 118.68 124.56 2dbo s LEU 74 Ca -0.01 -1.15 -0.14 0.00 0.69 0.00 0.00 54.13 53.52 2dbo s LEU 74 Cb -0.11 -1.27 -0.05 0.00 -0.43 0.00 0.00 46.19 44.34 2dbo s LEU 74 CO 0.02 -0.20 0.29 -0.69 -0.29 0.00 0.00 176.35 175.47 2dbo s VAL 75 N 1.34 5.31 -0.09 1.68 1.01 -0.89 0.35 120.40 129.10 2dbo s VAL 75 Ca -0.05 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2dbo s VAL 75 Cb -0.18 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.59 2dbo s VAL 75 CO -0.06 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.64 2dbo s VAL 76 N 0.56 0.99 0.38 2.92 1.01 0.43 -1.35 120.40 125.34 2dbo s VAL 76 Ca 0.16 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 2dbo s VAL 76 Cb -0.13 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.16 2dbo s VAL 76 CO 0.04 0.35 1.47 -0.24 0.00 0.00 0.00 175.10 176.71 2dbo n SER 77 N 4.53 3.66 -2.90 3.32 2.88 -1.26 -0.93 113.62 122.92 2dbo n SER 77 Ca -0.16 1.21 -0.10 0.00 -1.33 0.00 0.00 58.87 58.49 2dbo n SER 77 Cb 0.51 -1.61 -0.01 0.00 -0.75 0.00 0.00 64.21 62.35 2dbo n SER 77 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2dbo n GLN 78 N 0.37 0.53 0.31 -1.46 -0.06 0.30 -4.74 117.38 112.62 2dbo n GLN 78 Ca 0.02 -2.26 0.21 0.00 -2.00 0.00 0.00 57.00 52.96 2dbo n GLN 78 Cb 0.39 -1.49 1.10 0.00 -4.06 0.00 0.00 30.24 26.18 2dbo n GLN 78 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2dbo h PHE 79 N 4.86 0.00 0.00 3.69 -5.15 -1.94 -2.64 116.94 115.76 2dbo h PHE 79 Ca 0.06 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.83 2dbo h PHE 79 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 2dbo h PHE 79 CO 0.13 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.69 2dbo n THR 80 N -2.93 0.00 0.51 0.88 -2.24 -1.26 -2.92 114.28 106.32 2dbo n THR 80 Ca -0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 2dbo n THR 80 Cb 0.07 -0.70 0.46 0.00 -2.10 0.00 0.00 70.33 68.06 2dbo n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dbo n LEU 81 N -0.99 0.62 -2.29 3.22 4.77 -0.99 -2.61 117.00 118.73 2dbo n LEU 81 Ca 0.14 0.62 -0.31 0.00 -0.03 0.00 0.00 56.01 56.43 2dbo n LEU 81 Cb 0.06 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2dbo n LEU 81 CO 0.10 -0.39 0.91 -1.22 -1.33 0.00 0.00 177.39 175.46 2dbo n TYR 82 N -2.15 3.05 -2.84 -1.77 4.01 -1.15 -5.01 117.16 111.31 2dbo n TYR 82 Ca 0.04 -2.68 -0.40 0.00 -0.16 0.00 0.00 57.90 54.69 2dbo n TYR 82 Cb 0.29 -0.92 -0.05 0.00 -0.31 0.00 0.00 39.34 38.35 2dbo n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dbo s ALA 83 N -3.75 3.33 -0.28 -0.72 0.00 -1.07 -4.46 121.76 114.81 2dbo s ALA 83 Ca 0.57 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 2dbo s ALA 83 Cb 0.46 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 20.45 2dbo s ALA 83 CO -0.05 0.10 0.04 1.21 0.00 0.00 0.00 175.76 177.06 2dbo s ASN 84 N -0.43 4.91 -0.12 0.00 3.84 0.16 -4.90 114.94 118.39 2dbo s ASN 84 Ca 0.42 -0.69 0.15 0.00 0.21 0.00 0.00 52.86 52.95 2dbo s ASN 84 Cb -0.23 -1.83 0.42 0.00 -0.55 0.00 0.00 41.25 39.05 2dbo s ASN 84 CO 0.28 -0.16 1.32 1.33 -2.79 0.00 0.00 177.10 177.08 2dbo n VAL 85 N 4.83 1.87 0.20 -5.21 0.24 -1.26 0.21 118.33 119.21 2dbo n VAL 85 Ca -0.15 -1.69 0.07 0.00 -2.04 0.00 0.00 64.34 60.52 2dbo n VAL 85 Cb 0.48 -0.04 0.57 0.00 -1.47 0.00 0.00 33.84 33.38 2dbo n VAL 85 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2dbo h LYS 86 N 1.49 0.11 0.00 7.34 1.79 -1.93 -3.43 116.57 121.94 2dbo h LYS 86 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2dbo h LYS 86 Cb 1.17 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2dbo h LYS 86 CO 0.13 0.10 0.00 0.36 -1.08 0.00 0.00 179.45 178.96 2dbo n LYS 87 N -4.49 0.00 -0.49 3.15 -0.00 -1.26 -5.11 118.16 109.96 2dbo n LYS 87 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.99 2dbo n LYS 87 Cb 0.11 0.00 0.28 0.00 -0.00 0.00 0.00 35.03 35.42 2dbo n LYS 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2dbo s GLY 88 N -0.13 1.44 0.33 2.58 0.00 -1.26 -4.90 107.32 105.37 2dbo s GLY 88 Ca 0.00 -0.85 0.13 0.00 0.00 0.00 0.00 44.72 44.00 2dbo s GLY 88 CO 0.00 0.14 1.71 3.21 0.00 0.00 0.00 173.10 178.16 2dbo h ARG 89 N -3.31 0.00 -6.06 2.90 3.08 -1.99 -3.42 114.38 105.57 2dbo h ARG 89 Ca -0.43 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.06 2dbo h ARG 89 Cb 1.33 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.33 2dbo h ARG 89 CO 0.28 0.49 0.06 0.50 -1.07 0.00 0.00 179.97 180.24 2dbo s ARG 90 N -3.80 4.42 0.45 0.04 3.52 -1.26 -5.06 118.95 117.26 2dbo s ARG 90 Ca -0.02 0.85 -0.22 0.00 -0.13 0.00 0.00 55.73 56.22 2dbo s ARG 90 Cb 0.13 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 30.02 2dbo s ARG 90 CO 0.73 0.16 1.04 -1.25 -0.81 0.00 0.00 175.30 175.18 2dbo s PRO 91 N 0.46 3.94 0.23 5.12 0.04 -1.26 -4.89 135.00 138.63 2dbo s PRO 91 Ca 0.36 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2dbo s PRO 91 Cb -0.18 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2dbo s PRO 91 CO 0.18 -0.32 0.20 0.45 0.04 0.00 0.00 177.00 177.55 2dbo s SER 92 N -1.83 5.60 -0.16 6.66 0.15 0.13 -4.86 113.70 119.39 2dbo s SER 92 Ca 0.64 -0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.33 2dbo s SER 92 Cb -0.18 -1.46 0.48 0.00 -1.71 0.00 0.00 66.02 63.14 2dbo s SER 92 CO 0.22 -0.01 1.14 0.49 1.20 0.00 0.00 173.24 176.28 2dbo n PHE 93 N -0.98 0.82 -0.35 3.44 3.72 -1.26 0.37 117.46 123.22 2dbo n PHE 93 Ca -0.08 -1.51 0.12 0.00 -0.05 0.00 0.00 57.45 55.93 2dbo n PHE 93 Cb 0.57 -0.21 0.31 0.00 -0.94 0.00 0.00 39.48 39.21 2dbo n PHE 93 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2dbo h GLU 94 N 1.94 0.71 0.00 -1.08 5.08 -1.97 -0.89 114.58 118.37 2dbo h GLU 94 Ca -0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2dbo h GLU 94 Cb 1.51 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2dbo h GLU 94 CO 0.17 0.47 0.00 0.93 -1.00 0.00 0.00 179.01 179.58 2dbo h GLU 95 N 0.74 0.00 -6.52 2.33 5.08 -1.91 -3.45 114.58 110.84 2dbo h GLU 95 Ca 0.57 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.40 2dbo h GLU 95 Cb 0.88 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.16 2dbo h GLU 95 CO -0.39 0.00 0.86 0.00 -1.00 0.00 0.00 179.01 178.48 2dbo s ALA 96 N -3.28 3.68 0.72 3.43 0.00 -0.34 0.24 121.76 126.21 2dbo s ALA 96 Ca 0.07 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.07 2dbo s ALA 96 Cb 0.08 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.62 2dbo s ALA 96 CO 0.60 -0.83 1.25 -2.00 0.00 0.00 0.00 175.76 174.78 2dbo s GLU 97 N 1.66 2.16 0.66 0.00 2.56 -0.28 -4.52 118.70 120.94 2dbo s GLU 97 Ca 0.69 1.91 -0.17 0.00 0.00 0.00 0.00 54.97 57.39 2dbo s GLU 97 Cb -0.39 -1.82 -0.00 0.00 2.00 0.00 0.00 34.13 33.92 2dbo s GLU 97 CO 0.31 -1.86 1.25 -2.00 -0.56 0.00 0.00 175.26 172.40 2dbo s GLU 98 N -3.73 2.54 0.17 4.30 2.12 -1.26 -4.75 118.70 118.10 2dbo s GLU 98 Ca 0.78 1.93 -0.15 0.00 0.36 0.00 0.00 54.97 57.89 2dbo s GLU 98 Cb -0.33 -1.86 0.13 0.00 0.26 0.00 0.00 34.13 32.33 2dbo s GLU 98 CO 0.44 -1.57 1.70 -1.00 -0.54 0.00 0.00 175.26 174.30 2dbo h PRO 99 N 0.42 0.14 -0.10 4.30 0.13 -1.97 0.14 132.00 135.06 2dbo h PRO 99 Ca -0.50 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2dbo h PRO 99 Cb 1.32 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2dbo h PRO 99 CO 0.53 0.10 -0.12 0.87 -0.23 0.00 0.00 178.00 179.15 2dbo h LYS 100 N 0.15 -0.14 -0.47 0.86 1.57 -2.00 0.33 116.57 116.87 2dbo h LYS 100 Ca 0.21 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 2dbo h LYS 100 Cb 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2dbo h LYS 100 CO -0.32 -0.10 -0.04 -0.09 -0.57 0.00 0.00 179.45 178.33 2dbo h ARG 101 N -0.15 0.85 -0.61 3.15 1.12 -1.93 -2.86 114.38 113.96 2dbo h ARG 101 Ca 0.08 -0.29 0.06 0.00 -1.11 0.00 0.00 59.98 58.72 2dbo h ARG 101 Cb 0.26 -0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 30.10 2dbo h ARG 101 CO -0.19 0.92 0.31 0.00 -3.11 0.00 0.00 179.97 177.90 2dbo h ALA 102 N 0.90 0.81 -0.27 2.80 0.00 -0.34 0.27 119.26 123.43 2dbo h ALA 102 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dbo h ALA 102 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2dbo h ALA 102 CO 0.03 -0.04 0.17 -0.22 0.00 0.00 0.00 179.25 179.19 2dbo h LYS 103 N 0.57 0.36 0.00 0.00 3.64 -0.30 0.13 116.57 120.98 2dbo h LYS 103 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2dbo h LYS 103 Cb 0.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2dbo h LYS 103 CO -0.20 0.26 0.00 -1.91 -2.27 0.00 0.00 179.45 175.33 2dbo n GLU 104 N -4.88 0.00 -0.36 1.90 2.13 -0.72 -0.12 120.64 118.59 2dbo n GLU 104 Ca -0.02 0.57 0.31 0.00 0.66 0.00 0.00 57.16 58.67 2dbo n GLU 104 Cb 0.04 -1.22 0.62 0.00 0.27 0.00 0.00 31.44 31.15 2dbo n GLU 104 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2dbo h LEU 105 N 0.00 0.26 0.12 4.31 3.38 -0.88 0.44 115.31 122.93 2dbo h LEU 105 Ca 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dbo h LEU 105 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dbo h LEU 105 CO 0.00 0.00 -0.06 0.22 0.09 0.00 0.00 178.44 178.69 2dbo h TYR 106 N 0.20 -0.15 -0.60 1.13 3.20 0.65 0.25 116.97 121.66 2dbo h TYR 106 Ca 0.65 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.44 2dbo h TYR 106 Cb 2.04 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 40.33 2dbo h TYR 106 CO -0.00 -0.02 0.08 0.93 -1.64 0.00 0.00 178.16 177.50 2dbo h GLU 107 N -0.24 0.99 -0.28 1.82 5.08 0.16 -1.68 114.58 120.44 2dbo h GLU 107 Ca -0.02 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2dbo h GLU 107 Cb 0.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2dbo h GLU 107 CO 0.03 0.93 0.07 0.87 -1.00 0.00 0.00 179.01 179.91 2dbo h LYS 108 N 0.93 0.44 -0.44 2.33 1.57 -1.17 -0.52 116.57 119.71 2dbo h LYS 108 Ca 0.18 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2dbo h LYS 108 Cb 0.43 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 2dbo h LYS 108 CO 0.01 0.52 -0.00 0.35 -0.57 0.00 0.00 179.45 179.76 2dbo h PHE 109 N 0.28 -0.03 -0.30 -1.35 3.57 -0.63 0.31 116.94 118.80 2dbo h PHE 109 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2dbo h PHE 109 Cb 0.27 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2dbo h PHE 109 CO 0.01 -0.09 -0.11 0.28 -2.23 0.00 0.00 178.31 176.17 2dbo h VAL 110 N 0.11 1.23 0.01 1.41 2.07 -1.12 -1.93 116.25 118.04 2dbo h VAL 110 Ca 0.22 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2dbo h VAL 110 Cb 0.31 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2dbo h VAL 110 CO -0.36 0.33 -0.01 0.44 0.02 0.00 0.00 177.57 177.99 2dbo h ASP 111 N 0.47 -0.02 -0.67 0.57 3.45 0.37 -2.00 116.42 118.59 2dbo h ASP 111 Ca 0.09 -0.33 0.11 0.00 0.43 0.00 0.00 57.03 57.33 2dbo h ASP 111 Cb 0.48 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.18 2dbo h ASP 111 CO 0.03 0.33 0.26 0.50 -1.57 0.00 0.00 179.24 178.78 2dbo h LYS 112 N -0.36 0.42 0.00 3.56 1.63 -0.16 -1.09 116.57 120.57 2dbo h LYS 112 Ca -0.00 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 2dbo h LYS 112 Cb 0.35 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2dbo h LYS 112 CO 0.00 0.27 -0.22 0.97 -3.45 0.00 0.00 179.45 177.03 2dbo h ILE 113 N 0.43 0.59 0.00 2.00 2.10 -1.28 -2.16 117.51 119.19 2dbo h ILE 113 Ca 0.35 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 65.26 2dbo h ILE 113 Cb 0.47 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2dbo h ILE 113 CO -0.34 0.21 0.00 0.11 -1.08 0.00 0.00 178.15 177.05 2dbo h LYS 114 N 0.00 0.00 0.00 2.19 1.57 -0.41 -1.77 116.57 118.14 2dbo h LYS 114 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dbo h LYS 114 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2dbo h LYS 114 CO 0.03 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.84 2dbo h GLU 115 N 0.00 0.00 0.00 3.15 5.08 -1.31 -0.12 114.58 121.38 2dbo h GLU 115 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dbo h GLU 115 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dbo h GLU 115 CO 0.00 0.00 -0.02 0.66 -1.00 0.00 0.00 179.01 178.65 2dbo h SER 116 N 0.00 0.00 0.00 1.42 4.64 -1.49 -3.45 113.55 114.67 2dbo h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dbo h SER 116 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2dbo h SER 116 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2dbo n GLY 117 N -0.58 1.41 3.85 -0.77 0.00 -0.06 -5.04 105.19 104.00 2dbo n GLY 117 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2dbo n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dbo s LEU 118 N 0.00 2.26 -0.27 0.99 1.43 -1.26 -5.00 118.68 116.82 2dbo s LEU 118 Ca 0.00 0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 53.62 2dbo s LEU 118 Cb 0.00 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2dbo s LEU 118 CO 0.00 -2.38 0.91 -0.75 0.23 0.00 0.00 176.35 174.37 2dbo s LYS 119 N -5.50 4.11 -0.24 1.70 2.20 -1.26 -4.92 119.74 115.84 2dbo s LYS 119 Ca 0.65 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 57.22 2dbo s LYS 119 Cb -0.11 -3.69 0.06 0.00 -1.51 0.00 0.00 37.83 32.58 2dbo s LYS 119 CO 0.52 -0.67 -0.07 0.54 -0.36 0.00 0.00 175.35 175.31 2dbo s VAL 120 N 3.11 1.70 0.70 4.02 0.11 -1.26 -1.02 120.40 127.77 2dbo s VAL 120 Ca 0.38 -1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 58.11 2dbo s VAL 120 Cb -0.14 -1.91 0.10 0.00 -1.53 0.00 0.00 36.38 32.90 2dbo s VAL 120 CO 0.10 -0.05 0.97 -1.61 -3.33 0.00 0.00 175.10 171.18 2dbo s GLU 121 N 1.32 1.87 0.28 1.54 0.41 0.12 -4.98 118.70 119.26 2dbo s GLU 121 Ca -0.06 -0.87 -0.11 0.00 -0.41 0.00 0.00 54.97 53.52 2dbo s GLU 121 Cb -0.19 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 2dbo s GLU 121 CO -0.06 -1.32 0.52 0.95 -0.49 0.00 0.00 175.26 174.85 2dbo s THR 122 N -3.12 0.00 0.00 3.63 -4.23 -1.26 -2.09 115.64 108.57 2dbo s THR 122 Ca 0.64 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 2dbo s THR 122 Cb -0.07 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2dbo s THR 122 CO 0.44 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 2dbo n GLY 123 N -0.44 3.01 3.83 3.99 0.00 -0.46 -4.08 105.19 111.05 2dbo n GLY 123 Ca -0.02 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 2dbo n GLY 123 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dbo s ILE 124 N 0.76 5.16 -0.00 -0.61 1.10 -1.26 -4.95 121.20 121.40 2dbo s ILE 124 Ca 0.00 -0.05 -0.06 0.00 -0.51 0.00 0.00 60.65 60.03 2dbo s ILE 124 Cb 0.00 -3.29 -0.05 0.00 0.15 0.00 0.00 42.46 39.28 2dbo s ILE 124 CO 0.00 0.51 0.26 0.12 -2.11 0.00 0.00 174.94 173.72 2dbo s PHE 125 N -1.09 3.58 0.00 3.50 5.36 -1.26 -4.48 117.98 123.59 2dbo s PHE 125 Ca 0.18 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2dbo s PHE 125 Cb -0.12 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 2dbo s PHE 125 CO 0.08 0.62 0.00 0.41 -1.46 0.00 0.00 175.22 174.88 2dbo n GLY 126 N 1.17 2.43 3.36 13.12 0.00 -1.26 -5.03 105.19 118.98 2dbo n GLY 126 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2dbo n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dbo s ALA 127 N -2.26 2.08 0.38 4.61 0.00 -1.26 -5.15 121.76 120.16 2dbo s ALA 127 Ca 0.00 -1.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.00 2dbo s ALA 127 Cb 0.00 1.11 -0.10 0.00 0.00 0.00 0.00 23.12 24.14 2dbo s ALA 127 CO 0.00 -0.49 1.00 -1.64 0.00 0.00 0.00 175.76 174.63 2dbo s MET 128 N -3.78 4.31 0.10 0.00 -1.94 -1.26 -4.94 119.30 111.80 2dbo s MET 128 Ca 0.34 1.40 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 2dbo s MET 128 Cb 0.05 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 2dbo s MET 128 CO 0.18 0.01 -0.01 -1.64 -0.01 0.00 0.00 175.02 173.55 2dbo s MET 129 N -2.44 0.82 -0.42 2.03 1.00 -1.26 -4.84 119.30 114.20 2dbo s MET 129 Ca 0.56 -1.35 -0.03 0.00 0.00 0.00 0.00 55.69 54.87 2dbo s MET 129 Cb -0.19 0.05 0.11 0.00 0.00 0.00 0.00 34.83 34.80 2dbo s MET 129 CO 0.24 -0.13 0.21 -0.51 0.00 0.00 0.00 175.02 174.83 2dbo s ASP 130 N -3.02 5.23 -0.32 3.03 -0.00 -0.81 -4.99 116.67 115.79 2dbo s ASP 130 Ca 0.15 -2.08 -0.23 0.00 -0.00 0.00 0.00 52.55 50.40 2dbo s ASP 130 Cb 0.07 -1.82 0.00 0.00 -0.00 0.00 0.00 42.92 41.17 2dbo s ASP 130 CO -0.03 -0.53 0.76 -0.69 -0.00 0.00 0.00 175.17 174.68 2dbo s VAL 131 N 1.07 4.80 -0.30 -1.27 1.01 -1.26 -2.44 120.40 122.01 2dbo s VAL 131 Ca 0.09 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 2dbo s VAL 131 Cb -0.23 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2dbo s VAL 131 CO -0.04 -0.27 0.37 -0.36 0.00 0.00 0.00 175.10 174.80 2dbo s PHE 132 N 2.93 3.23 -0.07 5.22 0.08 0.20 -4.98 117.98 124.59 2dbo s PHE 132 Ca 0.31 0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.63 2dbo s PHE 132 Cb -0.14 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.70 2dbo s PHE 132 CO 0.13 -0.31 -0.14 0.42 -0.10 0.00 0.00 175.22 175.22 2dbo s ILE 133 N 2.06 1.27 -0.61 0.64 1.01 -1.26 -0.83 121.20 123.49 2dbo s ILE 133 Ca 0.14 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2dbo s ILE 133 Cb -0.16 -1.15 0.15 0.00 0.01 0.00 0.00 42.46 41.32 2dbo s ILE 133 CO 0.11 0.38 0.39 -0.70 0.00 0.00 0.00 174.94 175.12 2dbo s GLU 134 N 0.62 2.34 -0.49 2.79 2.12 -0.81 -5.03 118.70 120.24 2dbo s GLU 134 Ca -0.15 -2.74 -0.29 0.00 0.36 0.00 0.00 54.97 52.15 2dbo s GLU 134 Cb -0.16 -3.52 0.03 0.00 0.26 0.00 0.00 34.13 30.74 2dbo s GLU 134 CO 0.04 -1.17 1.16 1.21 -0.54 0.00 0.00 175.26 175.97 2dbo s ASN 135 N -0.10 6.59 -0.32 -1.70 3.84 -1.26 -1.51 114.94 120.48 2dbo s ASN 135 Ca 0.19 0.44 -0.27 0.00 0.21 0.00 0.00 52.86 53.43 2dbo s ASN 135 Cb -0.20 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 37.96 2dbo s ASN 135 CO -0.04 -1.30 0.96 0.86 -2.79 0.00 0.00 177.10 174.79 2dbo s TRP 136 N 4.59 3.17 0.00 0.43 -0.00 -0.73 -4.29 118.94 122.11 2dbo s TRP 136 Ca 0.48 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 2dbo s TRP 136 Cb -0.07 -3.50 0.00 0.00 -0.00 0.00 0.00 33.47 29.90 2dbo s TRP 136 CO 0.31 -0.69 0.00 0.41 -0.00 0.00 0.00 176.95 176.99 2dbo n GLY 137 N 4.01 2.09 3.89 5.86 0.00 -1.26 -3.20 105.19 116.58 2dbo n GLY 137 Ca 0.09 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2dbo n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbo s PRO 138 N 0.00 3.61 -0.16 1.61 0.04 -1.26 -5.17 135.00 133.67 2dbo s PRO 138 Ca 0.00 0.36 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 2dbo s PRO 138 Cb 0.00 -2.33 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2dbo s PRO 138 CO 0.00 -0.22 -0.07 0.08 0.04 0.00 0.00 177.00 176.82 2dbo s VAL 139 N -2.72 1.24 -0.05 -0.36 1.01 -1.20 -5.05 120.40 113.27 2dbo s VAL 139 Ca 0.50 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2dbo s VAL 139 Cb -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2dbo s VAL 139 CO 0.43 0.20 -0.09 -0.89 0.00 0.00 0.00 175.10 174.74 2dbo s THR 140 N 1.58 0.90 0.03 3.92 2.01 -1.26 -0.61 115.64 122.21 2dbo s THR 140 Ca 0.01 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.72 2dbo s THR 140 Cb -0.15 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2dbo s THR 140 CO -0.08 0.30 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.34 2dbo s ILE 141 N 0.67 1.39 -0.00 1.82 -1.09 -0.36 -4.98 121.20 118.64 2dbo s ILE 141 Ca -0.12 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.34 2dbo s ILE 141 Cb -0.14 -1.21 -0.03 0.00 -1.58 0.00 0.00 42.46 39.50 2dbo s ILE 141 CO 0.02 0.19 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.22 2dbo s ILE 142 N -0.69 3.60 -0.16 2.92 1.09 -1.26 -0.98 121.20 125.73 2dbo s ILE 142 Ca 0.05 -0.76 -0.08 0.00 -1.10 0.00 0.00 60.65 58.77 2dbo s ILE 142 Cb -0.08 -2.55 0.06 0.00 -1.06 0.00 0.00 42.46 38.83 2dbo s ILE 142 CO 0.01 0.42 0.37 -0.63 -0.10 0.00 0.00 174.94 175.01 2dbo s ILE 143 N -0.96 -0.04 0.08 2.92 -1.09 -0.62 -5.00 121.20 116.49 2dbo s ILE 143 Ca 0.16 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.75 2dbo s ILE 143 Cb -0.11 -0.56 -0.04 0.00 -1.58 0.00 0.00 42.46 40.17 2dbo s ILE 143 CO 0.07 0.04 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.11 2dbo s ASP 144 N 1.39 4.49 0.31 3.58 -1.08 -1.26 -0.34 116.67 123.75 2dbo s ASP 144 Ca -0.09 -0.32 0.19 0.00 -0.52 0.00 0.00 52.55 51.81 2dbo s ASP 144 Cb -0.09 -0.91 0.15 0.00 -1.46 0.00 0.00 42.92 40.60 2dbo s ASP 144 CO -0.12 0.20 1.40 0.77 0.52 0.00 0.00 175.17 177.94 2dbo h SER 145 N 3.78 0.00 0.00 -0.34 4.64 -1.00 -2.92 113.55 117.71 2dbo h SER 145 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2dbo h SER 145 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2dbo h SER 145 CO 0.53 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 177.27 2dbo n ARG 146 N -3.07 0.88 -0.50 4.77 5.12 -1.26 -2.84 116.66 119.76 2dbo n ARG 146 Ca 0.01 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.99 2dbo n ARG 146 Cb 0.64 -1.39 0.10 0.00 -1.16 0.00 0.00 32.46 30.65 2dbo n ARG 146 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dbo n GLU 147 N -0.89 0.85 0.00 5.56 1.02 -1.10 -5.15 120.64 120.93 2dbo n GLU 147 Ca 0.17 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 2dbo n GLU 147 Cb 0.08 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2dbo n GLU 147 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75