#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5f s GLN 2 N 0.00 1.74 0.15 2.12 -2.07 -0.60 -4.98 119.66 116.02 1i5f s GLN 2 Ca 0.00 -1.09 0.11 0.00 -1.82 0.00 0.00 55.36 52.56 1i5f s GLN 2 Cb 0.00 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 1i5f s GLN 2 CO 0.00 -0.81 -0.24 -1.21 -1.32 0.00 0.00 175.29 171.71 1i5f s GLU 3 N -2.57 1.54 0.00 9.60 2.02 -1.26 -1.14 118.70 126.88 1i5f s GLU 3 Ca 0.17 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1i5f s GLU 3 Cb -0.04 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1i5f s GLU 3 CO 0.08 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1i5f n GLY 4 N 0.68 2.57 3.09 -1.39 0.00 -0.35 -4.74 105.19 105.04 1i5f n GLY 4 Ca -0.16 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 1i5f n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i5f s LYS 5 N -1.42 0.75 -0.04 1.61 1.02 -0.82 -1.19 119.74 119.65 1i5f s LYS 5 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1i5f s LYS 5 Cb 0.00 -0.69 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 1i5f s LYS 5 CO 0.00 0.17 1.53 0.08 -0.92 0.00 0.00 175.35 176.21 1i5f s VAL 6 N -0.80 3.65 -0.09 3.17 1.01 0.28 -0.75 120.40 126.87 1i5f s VAL 6 Ca -0.01 0.90 -0.27 0.00 0.00 0.00 0.00 61.98 62.60 1i5f s VAL 6 Cb -0.07 -3.58 -0.24 0.00 0.00 0.00 0.00 36.38 32.49 1i5f s VAL 6 CO 0.01 -0.05 0.98 0.50 0.00 0.00 0.00 175.10 176.53 1i5f h LYS 7 N 8.76 0.03 -2.23 2.72 3.64 -1.10 -0.28 116.57 128.11 1i5f h LYS 7 Ca -0.37 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1i5f h LYS 7 Cb 1.17 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.83 1i5f h LYS 7 CO 0.94 0.82 0.32 1.67 -2.27 0.00 0.00 179.45 180.93 1i5f s TRP 8 N -3.03 -0.52 -0.17 1.91 1.48 -1.16 -4.73 118.94 112.73 1i5f s TRP 8 Ca -0.17 0.66 -0.08 0.00 -1.06 0.00 0.00 56.10 55.45 1i5f s TRP 8 Cb -0.01 0.48 0.07 0.00 -1.16 0.00 0.00 33.47 32.85 1i5f s TRP 8 CO 0.70 -0.61 0.39 0.12 -4.06 0.00 0.00 176.95 173.48 1i5f s PHE 9 N -2.20 -0.63 -0.49 1.66 5.36 -1.26 -1.28 117.98 119.13 1i5f s PHE 9 Ca -0.03 1.31 -0.22 0.00 -0.96 0.00 0.00 56.93 57.03 1i5f s PHE 9 Cb -0.01 0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.95 1i5f s PHE 9 CO -0.01 -0.38 0.75 1.21 -1.46 0.00 0.00 175.22 175.33 1i5f s ASN 10 N 1.88 6.31 0.23 6.13 3.84 0.15 -4.92 114.94 128.56 1i5f s ASN 10 Ca -0.06 -0.47 -0.01 0.00 0.21 0.00 0.00 52.86 52.52 1i5f s ASN 10 Cb -0.10 -2.36 0.26 0.00 -0.55 0.00 0.00 41.25 38.50 1i5f s ASN 10 CO -0.12 -0.97 1.63 -1.13 -2.79 0.00 0.00 177.10 173.72 1i5f h ASN 11 N 9.06 0.61 -0.19 -4.21 -0.00 -1.91 0.20 115.58 119.13 1i5f h ASN 11 Ca -0.26 -0.24 -0.02 0.00 -0.00 0.00 0.00 56.30 55.78 1i5f h ASN 11 Cb 1.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.23 1i5f h ASN 11 CO 0.98 0.89 0.06 -0.08 -0.00 0.00 0.00 177.43 179.29 1i5f h GLU 12 N 0.50 0.30 0.00 6.67 4.81 -1.96 -3.16 114.58 121.74 1i5f h GLU 12 Ca 0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1i5f h GLU 12 Cb 0.81 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1i5f h GLU 12 CO 0.07 0.40 -0.29 0.87 -0.73 0.00 0.00 179.01 179.33 1i5f h LYS 13 N 0.14 0.00 -0.71 1.92 1.57 -1.96 -3.48 116.57 114.05 1i5f h LYS 13 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1i5f h LYS 13 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1i5f h LYS 13 CO -0.00 0.00 -0.06 0.41 -0.57 0.00 0.00 179.45 179.23 1i5f n GLY 14 N 1.14 0.45 3.36 3.86 0.00 0.67 -4.96 105.19 109.70 1i5f n GLY 14 Ca 0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1i5f n GLY 14 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i5f s TYR 15 N -2.41 0.35 0.00 1.61 -0.85 -1.16 -0.81 117.35 114.08 1i5f s TYR 15 Ca 0.02 -0.71 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 1i5f s TYR 15 Cb -0.01 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1i5f s TYR 15 CO 0.03 -0.74 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 1i5f n GLY 16 N -0.23 1.75 2.99 5.49 0.00 -0.18 -0.67 105.19 114.34 1i5f n GLY 16 Ca -0.08 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1i5f n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i5f s PHE 17 N -1.39 0.50 -0.20 1.61 0.40 -0.40 -1.05 117.98 117.45 1i5f s PHE 17 Ca 0.00 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1i5f s PHE 17 Cb 0.00 -0.31 -0.05 0.00 0.51 0.00 0.00 43.02 43.17 1i5f s PHE 17 CO 0.00 -0.04 0.19 0.42 0.70 0.00 0.00 175.22 176.49 1i5f s ILE 18 N -0.60 5.36 0.06 0.64 1.01 0.18 -0.48 121.20 127.37 1i5f s ILE 18 Ca -0.03 0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 1i5f s ILE 18 Cb -0.05 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 1i5f s ILE 18 CO -0.00 0.40 0.46 -1.83 0.00 0.00 0.00 174.94 173.96 1i5f s GLU 19 N 0.59 3.93 -0.12 2.79 -1.05 0.07 -0.44 118.70 124.46 1i5f s GLU 19 Ca 0.11 0.42 0.02 0.00 -0.15 0.00 0.00 54.97 55.36 1i5f s GLU 19 Cb -0.12 -3.11 0.01 0.00 -0.44 0.00 0.00 34.13 30.47 1i5f s GLU 19 CO 0.01 0.61 -0.18 0.08 0.95 0.00 0.00 175.26 176.73 1i5f s VAL 20 N -1.24 1.72 0.07 1.83 1.01 -1.26 -1.93 120.40 120.59 1i5f s VAL 20 Ca 0.30 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1i5f s VAL 20 Cb -0.16 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 1i5f s VAL 20 CO 0.16 0.48 1.87 -0.70 0.00 0.00 0.00 175.10 176.91 1i5f s GLU 21 N 0.92 4.15 0.00 2.72 2.12 -1.26 -1.67 118.70 125.68 1i5f s GLU 21 Ca -0.07 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.82 1i5f s GLU 21 Cb -0.15 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.37 1i5f s GLU 21 CO -0.02 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1i5f n GLY 22 N 4.35 0.53 3.19 -1.50 0.00 -1.26 -4.99 105.19 105.51 1i5f n GLY 22 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1i5f n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5f n GLY 23 N -2.25 2.85 3.80 -0.02 0.00 -0.67 -5.15 105.19 103.76 1i5f n GLY 23 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1i5f n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i5f s SER 24 N -3.29 6.63 0.63 1.61 0.01 -1.26 -4.40 113.70 113.63 1i5f s SER 24 Ca 0.39 1.88 -0.19 0.00 1.31 0.00 0.00 55.95 59.34 1i5f s SER 24 Cb 0.02 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1i5f s SER 24 CO 0.27 -0.58 1.28 0.47 0.41 0.00 0.00 173.24 175.09 1i5f n ASP 25 N -0.62 2.06 -4.16 2.44 8.00 -1.26 -4.41 116.55 118.61 1i5f n ASP 25 Ca 0.07 0.85 -0.32 0.00 0.71 0.00 0.00 54.79 56.11 1i5f n ASP 25 Cb 0.52 -1.55 -0.17 0.00 -0.02 0.00 0.00 41.12 39.91 1i5f n ASP 25 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i5f s VAL 26 N -1.38 1.95 0.33 2.53 1.01 0.41 -4.95 120.40 120.31 1i5f s VAL 26 Ca 0.80 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1i5f s VAL 26 Cb -0.39 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 1i5f s VAL 26 CO 0.42 0.53 1.38 0.12 0.00 0.00 0.00 175.10 177.56 1i5f s PHE 27 N 0.77 2.91 -0.05 5.22 5.36 -1.26 -0.65 117.98 130.28 1i5f s PHE 27 Ca -0.09 1.27 0.01 0.00 -0.96 0.00 0.00 56.93 57.16 1i5f s PHE 27 Cb -0.16 -3.81 0.02 0.00 -0.34 0.00 0.00 43.02 38.74 1i5f s PHE 27 CO -0.00 -2.33 -0.05 0.54 -1.46 0.00 0.00 175.22 171.92 1i5f s VAL 28 N -0.93 0.59 0.05 3.12 0.11 -0.21 -0.52 120.40 122.60 1i5f s VAL 28 Ca 0.52 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 1i5f s VAL 28 Cb -0.42 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1i5f s VAL 28 CO 0.54 0.24 0.07 -2.28 -3.33 0.00 0.00 175.10 170.34 1i5f s HIS 29 N 1.03 3.19 0.54 1.54 2.46 -1.26 -1.01 115.29 121.79 1i5f s HIS 29 Ca -0.09 0.10 0.24 0.00 0.47 0.00 0.00 55.06 55.78 1i5f s HIS 29 Cb -0.14 -1.65 1.43 0.00 -0.13 0.00 0.00 32.58 32.09 1i5f s HIS 29 CO -0.00 0.52 2.06 0.27 -2.47 0.00 0.00 174.74 175.12 1i5f h PHE 30 N 3.57 0.00 0.00 3.88 -5.15 -1.33 -1.29 116.94 116.62 1i5f h PHE 30 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 1i5f h PHE 30 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.34 1i5f h PHE 30 CO 0.61 0.00 0.00 1.79 -2.00 0.00 0.00 178.31 178.71 1i5f h THR 31 N 0.00 0.00 0.00 0.88 1.35 -1.95 -2.16 112.91 111.03 1i5f h THR 31 Ca 0.14 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1i5f h THR 31 Cb 0.62 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1i5f h THR 31 CO -0.00 0.00 -0.61 0.00 -0.25 0.00 0.00 175.52 174.66 1i5f n ALA 32 N -1.83 2.97 -2.58 6.62 0.00 -0.49 -4.92 120.51 120.28 1i5f n ALA 32 Ca -0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1i5f n ALA 32 Cb 0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1i5f n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i5f s ILE 33 N -3.15 4.53 0.44 0.00 1.01 -0.81 -1.60 121.20 121.61 1i5f s ILE 33 Ca 0.07 1.82 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 1i5f s ILE 33 Cb 0.14 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1i5f s ILE 33 CO 0.72 0.06 0.75 -1.10 0.00 0.00 0.00 174.94 175.36 1i5f s GLN 34 N 1.68 3.59 0.00 2.79 -1.52 0.00 -4.92 119.66 121.28 1i5f s GLN 34 Ca 0.53 0.20 0.00 0.00 -1.95 0.00 0.00 55.36 54.15 1i5f s GLN 34 Cb -0.23 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1i5f s GLN 34 CO 0.23 -0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.57 1i5f n GLY 35 N -1.92 0.53 3.95 3.09 0.00 -1.26 -4.80 105.19 104.78 1i5f n GLY 35 Ca 0.00 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 1i5f n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i5f s GLU 36 N -1.08 3.09 0.00 1.61 8.01 -1.26 -4.98 118.70 124.10 1i5f s GLU 36 Ca 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 54.97 54.49 1i5f s GLU 36 Cb 0.00 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 1i5f s GLU 36 CO 0.00 -0.24 0.00 0.41 0.01 0.00 0.00 175.26 175.44 1i5f n GLY 37 N -2.05 0.71 3.74 -1.39 0.00 -1.26 -4.93 105.19 100.00 1i5f n GLY 37 Ca 0.01 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1i5f n GLY 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i5f s PHE 38 N -1.78 2.91 -0.61 1.61 5.36 -1.26 -4.89 117.98 119.33 1i5f s PHE 38 Ca 0.00 0.77 -0.25 0.00 -0.96 0.00 0.00 56.93 56.49 1i5f s PHE 38 Cb 0.00 -3.98 0.05 0.00 -0.34 0.00 0.00 43.02 38.75 1i5f s PHE 38 CO 0.00 -3.37 1.03 0.15 -1.46 0.00 0.00 175.22 171.56 1i5f s LYS 39 N 0.08 3.28 0.20 10.12 -0.14 -1.26 -4.93 119.74 127.08 1i5f s LYS 39 Ca 0.65 -0.34 -0.16 0.00 -1.36 0.00 0.00 55.97 54.76 1i5f s LYS 39 Cb -0.45 -4.11 0.02 0.00 -1.68 0.00 0.00 37.83 31.60 1i5f s LYS 39 CO 0.41 -1.69 0.49 -0.08 -0.76 0.00 0.00 175.35 173.72 1i5f s THR 40 N 4.37 0.03 0.01 2.17 -1.32 -1.26 -4.92 115.64 114.72 1i5f s THR 40 Ca 0.31 -0.93 -0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1i5f s THR 40 Cb -0.12 -1.67 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 1i5f s THR 40 CO 0.17 -0.14 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.67 1i5f s LEU 41 N -2.90 2.14 0.08 9.08 1.43 -1.26 -5.10 118.68 122.15 1i5f s LEU 41 Ca 0.11 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1i5f s LEU 41 Cb -0.00 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 1i5f s LEU 41 CO -0.01 -0.21 0.02 -1.61 0.23 0.00 0.00 176.35 174.77 1i5f s GLU 42 N -0.99 2.65 0.19 1.70 0.41 -1.26 -4.72 118.70 116.68 1i5f s GLU 42 Ca -0.11 -0.78 -0.32 0.00 -0.41 0.00 0.00 54.97 53.35 1i5f s GLU 42 Cb -0.07 -2.60 -0.15 0.00 -1.78 0.00 0.00 34.13 29.53 1i5f s GLU 42 CO -0.01 0.55 1.18 0.39 -0.49 0.00 0.00 175.26 176.88 1i5f n GLU 43 N 0.60 1.29 -0.08 1.61 1.02 -1.26 -1.83 120.64 121.99 1i5f n GLU 43 Ca -0.10 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1i5f n GLU 43 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1i5f n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i5f n GLY 44 N 1.95 1.51 3.72 0.62 0.00 -0.11 -4.96 105.19 107.92 1i5f n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1i5f n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i5f s GLN 45 N -0.45 4.23 0.13 1.61 2.00 -0.76 -4.61 119.66 121.81 1i5f s GLN 45 Ca 0.00 2.32 -0.30 0.00 -2.00 0.00 0.00 55.36 55.38 1i5f s GLN 45 Cb 0.00 -3.18 -0.06 0.00 0.80 0.00 0.00 33.01 30.57 1i5f s GLN 45 CO 0.00 -0.59 1.01 -1.21 -0.50 0.00 0.00 175.29 174.01 1i5f s GLU 46 N 1.17 4.66 0.04 1.67 2.02 -1.26 -0.56 118.70 126.44 1i5f s GLU 46 Ca 0.69 1.54 0.01 0.00 0.02 0.00 0.00 54.97 57.23 1i5f s GLU 46 Cb -0.43 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1i5f s GLU 46 CO 0.31 0.15 -0.05 0.14 0.02 0.00 0.00 175.26 175.83 1i5f s VAL 47 N -0.01 0.31 0.12 2.63 -7.23 -0.33 -1.03 120.40 114.85 1i5f s VAL 47 Ca 0.48 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1i5f s VAL 47 Cb -0.25 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1i5f s VAL 47 CO 0.31 -0.61 0.07 -0.94 -0.31 0.00 0.00 175.10 173.63 1i5f s SER 48 N -1.95 5.35 0.10 4.85 1.04 -0.26 -1.22 113.70 121.62 1i5f s SER 48 Ca -0.07 -0.12 -0.26 0.00 0.48 0.00 0.00 55.95 55.98 1i5f s SER 48 Cb -0.05 -1.37 0.08 0.00 0.10 0.00 0.00 66.02 64.78 1i5f s SER 48 CO -0.03 0.13 0.88 0.72 0.98 0.00 0.00 173.24 175.92 1i5f s PHE 49 N -1.53 -0.26 0.17 5.02 -0.71 -0.29 -1.21 117.98 119.17 1i5f s PHE 49 Ca 0.29 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.26 1i5f s PHE 49 Cb -0.11 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1i5f s PHE 49 CO 0.21 -0.75 0.04 -1.21 -1.34 0.00 0.00 175.22 172.17 1i5f s GLU 50 N -3.32 2.55 -0.16 1.99 2.02 -0.14 -1.56 118.70 120.09 1i5f s GLU 50 Ca 0.08 -1.02 -0.04 0.00 0.02 0.00 0.00 54.97 54.01 1i5f s GLU 50 Cb -0.02 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1i5f s GLU 50 CO -0.03 0.47 -0.01 0.42 0.02 0.00 0.00 175.26 176.12 1i5f s ILE 51 N -1.71 4.10 0.20 -1.63 1.01 -1.26 -0.91 121.20 121.01 1i5f s ILE 51 Ca 0.28 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.74 1i5f s ILE 51 Cb -0.10 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1i5f s ILE 51 CO 0.20 0.49 -0.18 0.68 0.00 0.00 0.00 174.94 176.13 1i5f s VAL 52 N 0.30 1.98 -0.31 2.92 -7.23 -0.10 -4.95 120.40 113.01 1i5f s VAL 52 Ca -0.02 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 57.95 1i5f s VAL 52 Cb -0.14 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1i5f s VAL 52 CO 0.02 -0.40 0.11 -1.10 -0.31 0.00 0.00 175.10 173.42 1i5f s GLN 53 N -3.19 3.03 0.23 4.82 -1.52 -1.26 -0.67 119.66 121.10 1i5f s GLN 53 Ca 0.21 -0.90 0.03 0.00 -1.95 0.00 0.00 55.36 52.75 1i5f s GLN 53 Cb -0.04 -3.45 0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1i5f s GLN 53 CO 0.09 -0.50 0.23 0.41 -0.25 0.00 0.00 175.29 175.27 1i5f n GLY 54 N 4.89 2.53 0.30 3.09 0.00 -0.70 -4.96 105.19 110.34 1i5f n GLY 54 Ca -0.14 -2.20 0.17 0.00 0.00 0.00 0.00 46.02 43.85 1i5f n GLY 54 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1i5f h ASN 55 N 0.18 0.00 -0.18 1.61 -0.00 -2.02 -1.76 115.58 113.41 1i5f h ASN 55 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.17 1i5f h ASN 55 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.84 1i5f h ASN 55 CO 0.20 0.03 0.00 0.54 -0.00 0.00 0.00 177.43 178.19 1i5f n ARG 56 N -3.53 2.17 0.00 4.14 5.12 -1.26 -5.07 116.66 118.23 1i5f n ARG 56 Ca -0.03 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.16 1i5f n ARG 56 Cb 0.12 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1i5f n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i5f n GLY 57 N 1.33 -0.59 3.77 -0.13 0.00 -0.66 -5.03 105.19 103.88 1i5f n GLY 57 Ca 0.17 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1i5f n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i5f s PRO 58 N 0.00 3.96 0.16 1.61 0.04 -1.26 -1.71 135.00 137.79 1i5f s PRO 58 Ca 0.00 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1i5f s PRO 58 Cb 0.00 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.91 1i5f s PRO 58 CO 0.00 -0.43 0.44 1.14 0.04 0.00 0.00 177.00 178.18 1i5f s GLN 59 N -2.34 1.21 0.44 4.56 -2.07 0.15 -4.41 119.66 117.20 1i5f s GLN 59 Ca 0.58 -0.83 -0.22 0.00 -1.82 0.00 0.00 55.36 53.08 1i5f s GLN 59 Cb -0.33 0.48 -0.10 0.00 -1.09 0.00 0.00 33.01 31.97 1i5f s GLN 59 CO 0.42 -0.49 0.99 0.00 -1.32 0.00 0.00 175.29 174.89 1i5f s ALA 60 N -3.85 3.00 0.08 2.60 0.00 0.32 -0.92 121.76 122.99 1i5f s ALA 60 Ca 0.07 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1i5f s ALA 60 Cb 0.01 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1i5f s ALA 60 CO -0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 175.76 175.54 1i5f s ALA 61 N -1.99 0.95 -1.23 0.00 0.00 -0.09 -4.77 121.76 114.63 1i5f s ALA 61 Ca 0.62 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1i5f s ALA 61 Cb -0.14 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1i5f s ALA 61 CO 0.18 -0.08 0.79 -1.71 0.00 0.00 0.00 175.76 174.94 1i5f n ASN 62 N 0.63 -2.73 -4.58 0.00 5.15 -1.22 -0.96 115.26 111.55 1i5f n ASN 62 Ca -0.17 -0.80 -0.43 0.00 -0.60 0.00 0.00 54.58 52.58 1i5f n ASN 62 Cb 0.58 -4.30 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 1i5f n ASN 62 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1i5f s VAL 63 N -3.55 4.57 -0.16 3.44 1.01 -0.63 -4.14 120.40 120.95 1i5f s VAL 63 Ca 0.14 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1i5f s VAL 63 Cb -0.03 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1i5f s VAL 63 CO 0.80 -0.63 -0.08 -0.69 0.00 0.00 0.00 175.10 174.49 1i5f s VAL 64 N 3.50 3.36 -0.04 2.92 1.01 -0.35 -0.82 120.40 129.99 1i5f s VAL 64 Ca 0.36 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1i5f s VAL 64 Cb -0.11 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1i5f s VAL 64 CO 0.21 0.49 1.13 -0.54 0.00 0.00 0.00 175.10 176.40 1i5f s LYS 65 N 0.65 4.41 0.00 2.72 1.02 -1.26 -1.10 119.74 126.17 1i5f s LYS 65 Ca -0.05 1.60 0.28 0.00 0.02 0.00 0.00 55.97 57.83 1i5f s LYS 65 Cb -0.15 -3.51 1.15 0.00 -0.52 0.00 0.00 37.83 34.81 1i5f s LYS 65 CO 0.02 -0.34 1.80 1.28 -0.92 0.00 0.00 175.35 177.20