#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i5m s LEU 2 N 0.00 2.73 -0.13 4.03 2.01 0.03 -4.82 118.68 122.53 2i5m s LEU 2 Ca 0.00 1.70 0.03 0.00 0.01 0.00 0.00 54.13 55.87 2i5m s LEU 2 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 46.19 41.91 2i5m s LEU 2 CO 0.00 -2.29 -0.21 -1.83 1.01 0.00 0.00 176.35 173.02 2i5m s GLU 3 N -4.91 3.08 0.28 1.70 -1.05 -1.26 -1.91 118.70 114.64 2i5m s GLU 3 Ca 0.62 -0.84 0.04 0.00 -0.15 0.00 0.00 54.97 54.64 2i5m s GLU 3 Cb -0.18 -2.42 -0.03 0.00 -0.44 0.00 0.00 34.13 31.06 2i5m s GLU 3 CO 0.56 0.08 0.21 0.20 0.95 0.00 0.00 175.26 177.26 2i5m s GLY 4 N 0.59 1.99 0.11 -3.83 0.00 -0.69 -4.79 107.32 100.71 2i5m s GLY 4 Ca -0.12 -1.88 0.09 0.00 0.00 0.00 0.00 44.72 42.81 2i5m s GLY 4 CO 0.03 -1.47 -0.20 0.54 0.00 0.00 0.00 173.10 172.00 2i5m s LYS 5 N -3.76 1.73 -0.37 2.90 1.02 -0.81 -1.02 119.74 119.44 2i5m s LYS 5 Ca 0.39 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 2i5m s LYS 5 Cb 0.04 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 2i5m s LYS 5 CO 0.20 0.48 1.33 0.08 -0.92 0.00 0.00 175.35 176.53 2i5m s VAL 6 N -1.11 4.04 0.07 3.17 1.01 -0.53 -0.63 120.40 126.41 2i5m s VAL 6 Ca 0.17 1.12 -0.36 0.00 0.00 0.00 0.00 61.98 62.91 2i5m s VAL 6 Cb -0.10 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 2i5m s VAL 6 CO 0.09 -0.66 1.60 0.50 0.00 0.00 0.00 175.10 176.63 2i5m h LYS 7 N 9.91 -1.10 -3.53 2.72 3.64 -1.14 -1.37 116.57 125.70 2i5m h LYS 7 Ca -0.26 0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 2i5m h LYS 7 Cb 1.10 0.25 -0.13 0.00 -0.41 0.00 0.00 32.23 33.04 2i5m h LYS 7 CO 1.07 -0.73 -0.15 1.67 -2.27 0.00 0.00 179.45 179.03 2i5m s TRP 8 N -6.02 -0.04 -0.27 1.91 1.48 -1.17 -4.60 118.94 110.23 2i5m s TRP 8 Ca -0.19 -0.32 -0.02 0.00 -1.06 0.00 0.00 56.10 54.51 2i5m s TRP 8 Cb 0.03 0.17 0.16 0.00 -1.16 0.00 0.00 33.47 32.67 2i5m s TRP 8 CO 0.61 -0.71 0.50 0.12 -4.06 0.00 0.00 176.95 173.41 2i5m s PHE 9 N -3.85 -1.22 -0.62 1.66 5.36 -1.26 -1.86 117.98 116.19 2i5m s PHE 9 Ca 0.06 1.35 -0.26 0.00 -0.96 0.00 0.00 56.93 57.12 2i5m s PHE 9 Cb 0.02 0.33 -0.02 0.00 -0.34 0.00 0.00 43.02 43.01 2i5m s PHE 9 CO -0.09 -0.78 1.85 1.21 -1.46 0.00 0.00 175.22 175.96 2i5m s ASN 10 N 2.71 5.28 0.56 6.13 3.84 -0.45 -4.83 114.94 128.18 2i5m s ASN 10 Ca 0.15 0.30 0.33 0.00 0.21 0.00 0.00 52.86 53.85 2i5m s ASN 10 Cb -0.15 -2.53 1.57 0.00 -0.55 0.00 0.00 41.25 39.59 2i5m s ASN 10 CO -0.18 -2.38 2.07 -1.28 -2.79 0.00 0.00 177.10 172.54 2i5m h SER 11 N 14.79 0.00 0.25 -4.21 0.87 -1.86 0.19 113.55 123.59 2i5m h SER 11 Ca -0.25 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.97 2i5m h SER 11 Cb 1.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2i5m h SER 11 CO 1.22 0.06 -1.69 -0.33 -0.53 0.00 0.00 176.83 175.56 2i5m h GLU 12 N 0.00 0.38 0.00 2.24 5.08 -1.97 -3.36 114.58 116.96 2i5m h GLU 12 Ca -0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 2i5m h GLU 12 Cb 0.38 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2i5m h GLU 12 CO 0.01 1.29 -0.43 0.87 -1.00 0.00 0.00 179.01 179.75 2i5m h LYS 13 N 0.10 0.00 -2.94 2.33 6.56 -1.98 -3.49 116.57 117.16 2i5m h LYS 13 Ca -0.32 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.12 2i5m h LYS 13 Cb 2.09 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 33.81 2i5m h LYS 13 CO 0.19 0.00 -0.27 0.41 -2.06 0.00 0.00 179.45 177.72 2i5m n GLY 14 N 1.14 0.35 3.38 3.86 0.00 0.05 -4.94 105.19 109.03 2i5m n GLY 14 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2i5m n GLY 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2i5m s PHE 15 N -3.13 -0.07 0.00 1.61 -0.71 -1.17 -0.56 117.98 113.96 2i5m s PHE 15 Ca 0.22 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.83 2i5m s PHE 15 Cb -0.10 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 2i5m s PHE 15 CO 0.29 -0.77 0.00 0.41 -1.34 0.00 0.00 175.22 173.81 2i5m n GLY 16 N -0.25 1.77 3.16 1.99 0.00 -0.53 -1.35 105.19 109.98 2i5m n GLY 16 Ca -0.13 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 2i5m n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i5m s PHE 17 N -1.33 1.11 -0.17 1.61 0.40 -0.78 -1.22 117.98 117.60 2i5m s PHE 17 Ca 0.00 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 2i5m s PHE 17 Cb 0.00 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 2i5m s PHE 17 CO 0.00 0.03 -0.07 0.42 0.70 0.00 0.00 175.22 176.30 2i5m s ILE 18 N -1.59 3.42 0.29 0.64 1.01 0.37 -0.55 121.20 124.79 2i5m s ILE 18 Ca -0.01 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 2i5m s ILE 18 Cb -0.08 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 2i5m s ILE 18 CO 0.02 0.47 0.96 -1.61 0.00 0.00 0.00 174.94 174.78 2i5m s GLU 19 N 0.81 4.67 -0.16 2.79 2.02 0.20 -1.42 118.70 127.62 2i5m s GLU 19 Ca -0.02 1.43 -0.04 0.00 0.02 0.00 0.00 54.97 56.35 2i5m s GLU 19 Cb -0.15 -3.00 0.08 0.00 0.10 0.00 0.00 34.13 31.16 2i5m s GLU 19 CO 0.01 0.35 0.26 0.54 0.02 0.00 0.00 175.26 176.44 2i5m s VAL 20 N -1.42 -0.40 0.41 2.63 0.11 -1.26 -1.92 120.40 118.55 2i5m s VAL 20 Ca 0.47 0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.42 2i5m s VAL 20 Cb -0.22 -0.53 -0.11 0.00 -1.53 0.00 0.00 36.38 33.98 2i5m s VAL 20 CO 0.28 0.01 0.96 1.21 -3.33 0.00 0.00 175.10 174.23 2i5m n GLU 21 N 5.34 1.25 -0.83 1.54 2.13 -1.26 -2.36 120.64 126.46 2i5m n GLU 21 Ca -0.06 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2i5m n GLU 21 Cb 0.50 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.24 2i5m n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i5m n GLY 22 N 1.26 0.42 3.27 8.31 0.00 -1.26 -4.98 105.19 112.20 2i5m n GLY 22 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2i5m n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i5m s GLN 23 N -0.67 1.21 0.56 1.61 1.11 -0.99 -5.16 119.66 117.33 2i5m s GLN 23 Ca 0.00 -1.61 -0.19 0.00 0.01 0.00 0.00 55.36 53.57 2i5m s GLN 23 Cb 0.00 -0.29 -0.05 0.00 -1.01 0.00 0.00 33.01 31.66 2i5m s GLN 23 CO 0.00 -0.17 1.12 -0.51 0.01 0.00 0.00 175.29 175.73 2i5m s ASP 24 N -3.22 5.69 0.66 5.90 1.01 -1.26 -4.66 116.67 120.79 2i5m s ASP 24 Ca 0.28 2.12 -0.18 0.00 0.71 0.00 0.00 52.55 55.49 2i5m s ASP 24 Cb 0.06 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 2i5m s ASP 24 CO 0.07 -1.24 1.27 -1.81 0.21 0.00 0.00 175.17 173.68 2i5m s ASP 25 N -1.93 4.56 -0.15 0.27 1.11 -1.26 -4.64 116.67 114.64 2i5m s ASP 25 Ca 0.71 2.56 0.02 0.00 0.18 0.00 0.00 52.55 56.02 2i5m s ASP 25 Cb -0.23 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.17 2i5m s ASP 25 CO 0.29 -2.03 -0.19 -0.69 1.18 0.00 0.00 175.17 173.73 2i5m s VAL 26 N -1.51 1.85 0.28 -1.27 1.01 -0.51 -4.94 120.40 115.32 2i5m s VAL 26 Ca 0.81 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2i5m s VAL 26 Cb -0.36 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.25 2i5m s VAL 26 CO 0.40 0.51 1.41 0.12 0.00 0.00 0.00 175.10 177.54 2i5m s PHE 27 N 1.10 2.98 -0.08 5.22 5.36 -1.26 -0.48 117.98 130.82 2i5m s PHE 27 Ca -0.02 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.10 2i5m s PHE 27 Cb -0.14 -3.81 0.02 0.00 -0.34 0.00 0.00 43.02 38.75 2i5m s PHE 27 CO -0.06 -2.50 -0.08 0.54 -1.46 0.00 0.00 175.22 171.65 2i5m s VAL 28 N -0.40 0.95 0.15 3.12 0.11 -0.36 -0.55 120.40 123.43 2i5m s VAL 28 Ca 0.56 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2i5m s VAL 28 Cb -0.42 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 2i5m s VAL 28 CO 0.48 0.34 0.22 -2.28 -3.33 0.00 0.00 175.10 170.52 2i5m s HIS 29 N 1.23 3.36 0.45 1.54 2.46 -1.26 -1.45 115.29 121.61 2i5m s HIS 29 Ca -0.04 0.07 0.14 0.00 0.47 0.00 0.00 55.06 55.70 2i5m s HIS 29 Cb -0.14 -1.61 1.06 0.00 -0.13 0.00 0.00 32.58 31.76 2i5m s HIS 29 CO -0.03 0.52 2.01 0.27 -2.47 0.00 0.00 174.74 175.04 2i5m h PHE 30 N 2.30 0.37 0.00 3.88 -5.15 -1.19 -1.86 116.94 115.29 2i5m h PHE 30 Ca -0.48 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2i5m h PHE 30 Cb 1.19 -0.12 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2i5m h PHE 30 CO 0.55 0.19 0.00 0.66 -2.00 0.00 0.00 178.31 177.71 2i5m h SER 31 N 0.36 0.00 1.71 -0.68 4.64 -1.94 -1.77 113.55 115.86 2i5m h SER 31 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2i5m h SER 31 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2i5m h SER 31 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 2i5m h ALA 32 N 2.01 1.00 -2.41 5.18 0.00 -1.63 -3.47 119.26 119.94 2i5m h ALA 32 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2i5m h ALA 32 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2i5m h ALA 32 CO 0.00 0.00 0.59 0.42 0.00 0.00 0.00 179.25 180.26 2i5m s ILE 33 N -3.20 4.21 0.46 0.00 1.01 -0.67 -1.76 121.20 121.26 2i5m s ILE 33 Ca 0.08 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2i5m s ILE 33 Cb 0.08 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2i5m s ILE 33 CO 0.63 0.08 0.69 -1.10 0.00 0.00 0.00 174.94 175.23 2i5m s GLN 34 N 1.48 3.01 0.00 2.79 -1.52 0.05 -4.93 119.66 120.55 2i5m s GLN 34 Ca 0.57 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 53.48 2i5m s GLN 34 Cb -0.27 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 2i5m s GLN 34 CO 0.26 -0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 2i5m n GLY 35 N -2.12 -1.30 3.98 3.09 0.00 -1.26 -4.84 105.19 102.73 2i5m n GLY 35 Ca 0.02 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 2i5m n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2i5m s GLU 36 N -0.11 2.49 1.36 1.61 -1.05 -1.26 -5.06 118.70 116.68 2i5m s GLU 36 Ca 0.00 -1.57 0.00 0.00 -0.15 0.00 0.00 54.97 53.25 2i5m s GLU 36 Cb 0.00 -2.54 0.00 0.00 -0.44 0.00 0.00 34.13 31.15 2i5m s GLU 36 CO 0.00 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.09 2i5m n GLY 37 N -1.93 -1.70 3.67 -3.83 0.00 -1.26 -4.80 105.19 95.34 2i5m n GLY 37 Ca 0.09 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2i5m n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2i5m s PHE 38 N 0.00 1.51 -0.69 1.61 5.36 -1.26 -4.92 117.98 119.60 2i5m s PHE 38 Ca 0.00 -0.33 -0.27 0.00 -0.96 0.00 0.00 56.93 55.38 2i5m s PHE 38 Cb 0.00 -4.21 0.03 0.00 -0.34 0.00 0.00 43.02 38.50 2i5m s PHE 38 CO 0.00 -5.32 1.21 0.15 -1.46 0.00 0.00 175.22 169.80 2i5m s LYS 39 N 4.06 3.26 0.24 10.12 1.02 -1.26 -4.94 119.74 132.24 2i5m s LYS 39 Ca 0.86 -0.19 -0.15 0.00 0.02 0.00 0.00 55.97 56.51 2i5m s LYS 39 Cb -0.43 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.74 2i5m s LYS 39 CO 0.40 -1.98 0.51 -0.08 -0.92 0.00 0.00 175.35 173.28 2i5m s THR 40 N 5.30 0.01 0.08 2.17 -1.32 -1.26 -4.93 115.64 115.68 2i5m s THR 40 Ca 0.35 -1.26 0.02 0.00 -1.21 0.00 0.00 61.69 59.60 2i5m s THR 40 Cb -0.09 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 2i5m s THR 40 CO 0.17 -0.03 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.71 2i5m s LEU 41 N -2.98 2.39 0.25 9.08 1.43 -1.26 -5.09 118.68 122.50 2i5m s LEU 41 Ca 0.18 -0.78 0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2i5m s LEU 41 Cb -0.01 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 46.00 2i5m s LEU 41 CO 0.07 -0.32 -0.11 -1.83 0.23 0.00 0.00 176.35 174.39 2i5m s GLU 42 N -2.71 1.97 0.31 1.70 -1.05 -1.26 -4.76 118.70 112.90 2i5m s GLU 42 Ca 0.02 -1.54 -0.30 0.00 -0.15 0.00 0.00 54.97 53.01 2i5m s GLU 42 Cb -0.03 -1.99 -0.11 0.00 -0.44 0.00 0.00 34.13 31.56 2i5m s GLU 42 CO -0.02 0.36 1.56 -2.00 0.95 0.00 0.00 175.26 176.11 2i5m s GLU 43 N -3.42 4.13 0.00 -4.83 2.12 -1.26 -2.94 118.70 112.50 2i5m s GLU 43 Ca 0.29 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.17 2i5m s GLU 43 Cb -0.06 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2i5m s GLU 43 CO 0.17 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2i5m n GLY 44 N 1.77 0.86 3.69 -1.50 0.00 -0.52 -4.96 105.19 104.53 2i5m n GLY 44 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2i5m n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i5m s GLN 45 N -0.08 4.40 0.29 1.61 0.74 -1.15 -4.67 119.66 120.80 2i5m s GLN 45 Ca 0.00 1.58 -0.29 0.00 0.05 0.00 0.00 55.36 56.70 2i5m s GLN 45 Cb 0.00 -3.52 -0.10 0.00 1.10 0.00 0.00 33.01 30.49 2i5m s GLN 45 CO 0.00 -0.36 1.26 0.15 -0.55 0.00 0.00 175.29 175.79 2i5m s LYS 46 N 1.94 4.43 0.12 1.67 1.02 -1.26 -1.46 119.74 126.21 2i5m s LYS 46 Ca 0.54 2.08 0.02 0.00 0.02 0.00 0.00 55.97 58.63 2i5m s LYS 46 Cb -0.23 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2i5m s LYS 46 CO 0.22 -0.10 -0.06 0.14 -0.92 0.00 0.00 175.35 174.62 2i5m s VAL 47 N -0.86 0.79 -0.15 3.17 -7.23 -0.19 -4.58 120.40 111.35 2i5m s VAL 47 Ca 0.50 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2i5m s VAL 47 Cb -0.37 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 34.80 2i5m s VAL 47 CO 0.47 -0.80 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.67 2i5m s ARG 48 N -3.83 3.09 0.25 4.82 6.06 -0.65 -1.70 118.95 127.00 2i5m s ARG 48 Ca 0.14 -0.81 -0.17 0.00 -2.50 0.00 0.00 55.73 52.40 2i5m s ARG 48 Cb 0.05 -2.52 0.01 0.00 0.06 0.00 0.00 34.95 32.54 2i5m s ARG 48 CO -0.03 -0.03 0.58 -0.59 -2.50 0.00 0.00 175.30 172.74 2i5m s PHE 49 N 0.87 0.09 0.11 5.12 -0.71 -0.80 -1.52 117.98 121.13 2i5m s PHE 49 Ca -0.05 -0.49 0.09 0.00 -1.04 0.00 0.00 56.93 55.44 2i5m s PHE 49 Cb -0.15 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 2i5m s PHE 49 CO -0.02 -1.09 -0.17 -1.21 -1.34 0.00 0.00 175.22 171.39 2i5m s GLU 50 N -3.96 1.85 -0.31 1.99 2.02 0.05 -0.79 118.70 119.54 2i5m s GLU 50 Ca 0.16 -1.14 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 2i5m s GLU 50 Cb -0.03 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 2i5m s GLU 50 CO 0.07 0.49 0.39 0.42 0.02 0.00 0.00 175.26 176.65 2i5m s ILE 51 N -1.12 5.15 -0.11 -1.63 1.01 -1.26 -0.23 121.20 123.00 2i5m s ILE 51 Ca 0.18 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 2i5m s ILE 51 Cb -0.11 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2i5m s ILE 51 CO 0.10 0.02 -0.04 -0.69 0.00 0.00 0.00 174.94 174.32 2i5m s VAL 52 N 2.10 3.90 -0.14 2.92 1.01 -0.57 -4.95 120.40 124.67 2i5m s VAL 52 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2i5m s VAL 52 Cb -0.16 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.60 2i5m s VAL 52 CO 0.11 0.55 -0.03 -0.70 0.00 0.00 0.00 175.10 175.03 2i5m s GLU 53 N -0.24 1.15 0.00 2.72 2.12 -1.26 -2.01 118.70 121.18 2i5m s GLU 53 Ca 0.04 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2i5m s GLU 53 Cb -0.13 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.56 2i5m s GLU 53 CO 0.02 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2i5m n GLY 54 N 4.98 4.95 0.13 -1.50 0.00 -1.26 -4.98 105.19 107.51 2i5m n GLY 54 Ca -0.10 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.11 2i5m n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i5m n ASN 55 N 0.00 0.60 -0.09 1.61 0.23 -1.26 -2.25 115.26 114.10 2i5m n ASN 55 Ca 0.00 0.67 0.13 0.00 -0.53 0.00 0.00 54.58 54.85 2i5m n ASN 55 Cb 0.00 -0.79 0.46 0.00 -2.08 0.00 0.00 39.78 37.38 2i5m n ASN 55 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2i5m n ARG 56 N -2.18 0.41 0.00 -3.83 1.74 -1.26 -5.08 116.66 106.45 2i5m n ARG 56 Ca 0.02 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2i5m n ARG 56 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2i5m n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i5m n GLY 57 N 1.39 0.67 3.78 -0.13 0.00 -0.95 -5.02 105.19 104.93 2i5m n GLY 57 Ca 0.10 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 2i5m n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i5m s PRO 58 N -1.29 4.30 0.27 1.61 0.04 -1.26 -3.99 135.00 134.68 2i5m s PRO 58 Ca 0.00 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 2i5m s PRO 58 Cb 0.00 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2i5m s PRO 58 CO 0.00 -0.03 0.55 1.14 0.04 0.00 0.00 177.00 178.69 2i5m s GLN 59 N -2.20 1.66 0.35 4.56 -2.07 -0.85 -4.60 119.66 116.50 2i5m s GLN 59 Ca 0.54 -1.24 -0.20 0.00 -1.82 0.00 0.00 55.36 52.65 2i5m s GLN 59 Cb -0.24 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.08 2i5m s GLN 59 CO 0.31 -0.71 0.84 0.00 -1.32 0.00 0.00 175.29 174.41 2i5m s ALA 60 N -3.84 3.22 0.05 2.60 0.00 0.28 -1.51 121.76 122.56 2i5m s ALA 60 Ca 0.20 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 2i5m s ALA 60 Cb -0.02 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2i5m s ALA 60 CO 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 175.76 176.06 2i5m s ALA 61 N -1.93 0.51 -1.27 0.00 0.00 0.68 -4.75 121.76 115.00 2i5m s ALA 61 Ca 0.55 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 2i5m s ALA 61 Cb -0.12 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2i5m s ALA 61 CO 0.17 -0.35 0.61 0.09 0.00 0.00 0.00 175.76 176.28 2i5m n ASN 62 N 0.20 -2.87 -4.62 0.00 3.02 -1.21 -0.77 115.26 109.00 2i5m n ASN 62 Ca -0.15 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 52.95 2i5m n ASN 62 Cb 0.61 -3.06 -0.05 0.00 -0.61 0.00 0.00 39.78 36.66 2i5m n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2i5m s VAL 63 N -3.70 4.85 0.03 2.41 1.01 -0.72 -4.07 120.40 120.21 2i5m s VAL 63 Ca 0.26 1.25 0.08 0.00 0.00 0.00 0.00 61.98 63.56 2i5m s VAL 63 Cb -0.10 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2i5m s VAL 63 CO 0.88 -0.15 -0.23 0.42 0.00 0.00 0.00 175.10 176.03 2i5m s THR 64 N 2.82 1.82 -0.16 3.92 -4.23 -0.58 -0.77 115.64 118.47 2i5m s THR 64 Ca 0.31 -1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 2i5m s THR 64 Cb -0.15 -1.56 -0.08 0.00 1.34 0.00 0.00 72.50 72.05 2i5m s THR 64 CO 0.10 0.31 -0.00 0.11 -0.54 0.00 0.00 174.62 174.60 2i5m h LYS 65 N 4.99 0.00 0.00 3.99 1.57 -1.88 -1.73 116.57 123.51 2i5m h LYS 65 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2i5m h LYS 65 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2i5m h LYS 65 CO 0.44 0.33 0.00 0.39 -0.57 0.00 0.00 179.45 180.05