#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isy s GLN 4 N 0.00 4.64 0.10 -3.83 -0.21 -1.26 -5.00 119.66 114.10 3isy s GLN 4 Ca 0.00 1.33 -0.11 0.00 0.02 0.00 0.00 55.36 56.61 3isy s GLN 4 Cb 0.00 -2.97 -0.16 0.00 1.00 0.00 0.00 33.01 30.87 3isy s GLN 4 CO 0.00 0.38 1.26 0.93 -2.12 0.00 0.00 175.29 175.74 3isy h GLU 5 N 3.55 0.66 -5.73 2.91 5.08 -1.95 -3.43 114.58 115.67 3isy h GLU 5 Ca -0.46 -0.64 -0.55 0.00 -1.00 0.00 0.00 59.36 56.70 3isy h GLU 5 Cb 1.19 0.17 -0.29 0.00 0.50 0.00 0.00 28.75 30.32 3isy h GLU 5 CO 0.66 1.24 -0.84 0.08 -1.00 0.00 0.00 179.01 179.16 3isy s VAL 6 N -3.47 1.42 -0.03 3.13 1.01 -1.26 -0.14 120.40 121.07 3isy s VAL 6 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3isy s VAL 6 Cb 0.08 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.29 3isy s VAL 6 CO 0.90 0.37 -0.01 -0.69 0.00 0.00 0.00 175.10 175.67 3isy s VAL 7 N -0.47 0.26 -0.18 2.92 1.01 -0.51 -4.97 120.40 118.46 3isy s VAL 7 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 3isy s VAL 7 Cb -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3isy s VAL 7 CO -0.00 0.16 -0.03 -0.22 0.00 0.00 0.00 175.10 175.00 3isy s LEU 8 N 0.89 3.18 0.03 3.92 2.96 -1.26 -0.69 118.68 127.71 3isy s LEU 8 Ca -0.10 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3isy s LEU 8 Cb -0.13 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3isy s LEU 8 CO -0.01 0.11 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.62 3isy s SER 9 N 0.70 4.60 -0.03 3.68 0.01 -0.42 -4.74 113.70 117.50 3isy s SER 9 Ca -0.02 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.09 3isy s SER 9 Cb -0.14 -1.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 3isy s SER 9 CO 0.02 0.25 -0.15 -0.63 0.41 0.00 0.00 173.24 173.14 3isy s ILE 10 N -1.06 1.23 -0.09 1.44 1.01 -1.26 -1.88 121.20 120.59 3isy s ILE 10 Ca 0.19 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3isy s ILE 10 Cb -0.11 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.33 3isy s ILE 10 CO 0.10 0.36 -0.10 -0.62 0.00 0.00 0.00 174.94 174.67 3isy s ASP 11 N -0.09 1.93 -0.14 3.58 -1.08 0.02 -4.99 116.67 115.90 3isy s ASP 11 Ca 0.00 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.75 3isy s ASP 11 Cb -0.09 -0.82 -0.00 0.00 -1.46 0.00 0.00 42.92 40.55 3isy s ASP 11 CO 0.01 -0.04 -0.18 0.00 0.52 0.00 0.00 175.17 175.47 3isy s ALA 12 N 1.17 2.38 -0.13 3.66 0.00 -1.26 -0.80 121.76 126.79 3isy s ALA 12 Ca -0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 3isy s ALA 12 Cb -0.14 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.94 3isy s ALA 12 CO -0.02 0.08 -0.06 0.42 0.00 0.00 0.00 175.76 176.18 3isy s ILE 13 N 0.64 0.98 -0.03 0.00 1.01 0.24 -4.97 121.20 119.07 3isy s ILE 13 Ca -0.10 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 3isy s ILE 13 Cb -0.16 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3isy s ILE 13 CO 0.02 0.26 1.31 -1.58 0.00 0.00 0.00 174.94 174.95 3isy s GLN 14 N 1.71 4.31 0.44 2.79 0.74 -1.26 -0.95 119.66 127.43 3isy s GLN 14 Ca 0.03 1.83 0.07 0.00 0.05 0.00 0.00 55.36 57.34 3isy s GLN 14 Cb -0.14 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 3isy s GLN 14 CO -0.08 -0.53 0.22 -1.21 -0.55 0.00 0.00 175.29 173.15 3isy s GLU 15 N 2.37 2.26 0.05 1.67 2.02 0.65 -4.96 118.70 122.76 3isy s GLU 15 Ca 0.60 -1.86 -0.15 0.00 0.02 0.00 0.00 54.97 53.58 3isy s GLU 15 Cb -0.28 -2.02 -0.06 0.00 0.10 0.00 0.00 34.13 31.87 3isy s GLU 15 CO 0.24 -0.20 1.24 -1.35 0.02 0.00 0.00 175.26 175.20 3isy h PRO 16 N 1.29 -0.31 -0.01 0.39 0.11 -2.04 -3.26 132.00 128.17 3isy h PRO 16 Ca -0.42 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3isy h PRO 16 Cb 1.26 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3isy h PRO 16 CO 0.67 -0.21 -0.10 0.39 -0.21 0.00 0.00 178.00 178.55 3isy n GLU 17 N -3.75 0.87 -3.78 1.05 4.71 -1.26 -4.78 120.64 113.69 3isy n GLU 17 Ca -0.04 -0.34 -0.01 0.00 -0.01 0.00 0.00 57.16 56.76 3isy n GLU 17 Cb 0.18 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 3isy n GLU 17 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 3isy s GLN 18 N -2.36 0.91 -0.09 3.49 -2.07 -1.23 -3.92 119.66 114.38 3isy s GLN 18 Ca 0.32 -0.54 0.02 0.00 -1.82 0.00 0.00 55.36 53.34 3isy s GLN 18 Cb 0.20 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.39 3isy s GLN 18 CO 0.45 -0.42 -0.16 0.42 -1.32 0.00 0.00 175.29 174.26 3isy s ILE 19 N -2.56 2.85 -0.09 3.63 -1.09 -0.02 -0.25 121.20 123.67 3isy s ILE 19 Ca 0.18 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3isy s ILE 19 Cb 0.00 -2.15 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 3isy s ILE 19 CO 0.01 0.55 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.46 3isy s LYS 20 N -0.06 3.02 -0.17 2.79 2.20 -0.13 -0.49 119.74 126.90 3isy s LYS 20 Ca -0.04 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 3isy s LYS 20 Cb -0.14 -2.68 0.01 0.00 -1.51 0.00 0.00 37.83 33.51 3isy s LYS 20 CO 0.04 0.54 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.33 3isy s PHE 21 N -0.47 2.78 0.38 4.03 0.08 0.63 -0.59 117.98 124.81 3isy s PHE 21 Ca 0.07 -1.48 0.08 0.00 0.12 0.00 0.00 56.93 55.72 3isy s PHE 21 Cb -0.12 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3isy s PHE 21 CO 0.02 -0.72 0.19 -0.80 -0.10 0.00 0.00 175.22 173.81 3isy s ASN 22 N 1.19 4.66 -0.30 1.36 0.01 0.02 -0.75 114.94 121.13 3isy s ASN 22 Ca 0.02 -0.87 -0.18 0.00 -0.71 0.00 0.00 52.86 51.12 3isy s ASN 22 Cb -0.14 -0.62 0.19 0.00 0.41 0.00 0.00 41.25 41.09 3isy s ASN 22 CO -0.09 -0.44 1.22 -0.55 -1.51 0.00 0.00 177.10 175.73 3isy s SER 24 N -3.91 -0.19 -0.33 -1.22 0.15 -0.79 -0.80 113.70 106.61 3isy s SER 24 Ca 0.41 0.26 -0.18 0.00 0.70 0.00 0.00 55.95 57.14 3isy s SER 24 Cb -0.00 1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 65.51 3isy s SER 24 CO 0.23 -0.04 0.51 -0.22 1.20 0.00 0.00 173.24 174.93 3isy s LEU 25 N 2.17 4.27 -0.15 3.45 2.96 0.01 -1.30 118.68 130.09 3isy s LEU 25 Ca -0.00 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3isy s LEU 25 Cb -0.02 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3isy s LEU 25 CO -0.16 -0.43 -0.10 -0.75 -1.32 0.00 0.00 176.35 173.58 3isy s LYS 26 N 2.37 3.41 -0.51 1.98 2.47 0.13 0.10 119.74 129.69 3isy s LYS 26 Ca 0.19 -0.66 -0.22 0.00 -1.56 0.00 0.00 55.97 53.73 3isy s LYS 26 Cb -0.15 -2.74 0.05 0.00 -1.46 0.00 0.00 37.83 33.52 3isy s LYS 26 CO 0.12 0.13 0.76 1.21 0.16 0.00 0.00 175.35 177.74 3isy s ASN 27 N 0.58 6.29 0.00 1.43 3.84 -0.24 -1.43 114.94 125.42 3isy s ASN 27 Ca -0.07 -0.58 0.26 0.00 0.21 0.00 0.00 52.86 52.68 3isy s ASN 27 Cb -0.15 -2.36 0.63 0.00 -0.55 0.00 0.00 41.25 38.82 3isy s ASN 27 CO 0.03 -1.01 1.50 0.00 -2.79 0.00 0.00 177.10 174.83 3isy n GLN 28 N 6.73 2.00 -1.78 0.43 6.02 0.80 -1.34 117.38 130.24 3isy n GLN 28 Ca -0.02 -1.46 -0.29 0.00 -0.01 0.00 0.00 57.00 55.21 3isy n GLN 28 Cb 0.47 -1.47 0.13 0.00 1.02 0.00 0.00 30.24 30.39 3isy n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3isy s SER 29 N -1.94 3.73 0.00 1.08 1.04 -1.11 -4.90 113.70 111.60 3isy s SER 29 Ca 0.33 0.69 0.30 0.00 0.48 0.00 0.00 55.95 57.76 3isy s SER 29 Cb 0.20 -1.08 1.53 0.00 0.10 0.00 0.00 66.02 66.78 3isy s SER 29 CO 0.31 -2.38 2.02 -0.62 0.98 0.00 0.00 173.24 173.55 3isy n GLU 30 N -3.61 1.24 -4.37 4.02 1.02 -1.26 -4.13 120.64 113.55 3isy n GLU 30 Ca 0.10 -0.39 -0.23 0.00 -0.02 0.00 0.00 57.16 56.62 3isy n GLU 30 Cb 0.60 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.42 3isy n GLU 30 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3isy s ARG 31 N -2.03 1.38 0.34 3.49 1.70 -1.26 -4.78 118.95 117.79 3isy s ARG 31 Ca 0.43 -1.50 -0.27 0.00 -0.47 0.00 0.00 55.73 53.91 3isy s ARG 31 Cb 0.21 -1.46 -0.09 0.00 -0.57 0.00 0.00 34.95 33.05 3isy s ARG 31 CO 0.36 0.29 1.12 0.00 -1.08 0.00 0.00 175.30 176.00 3isy s ALA 32 N -2.17 3.29 -0.09 7.88 0.00 -1.26 -3.69 121.76 125.72 3isy s ALA 32 Ca 0.20 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.08 3isy s ALA 32 Cb -0.05 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3isy s ALA 32 CO 0.08 -0.30 -0.12 0.42 0.00 0.00 0.00 175.76 175.84 3isy s ILE 33 N -1.32 1.23 -0.10 0.00 1.01 -0.15 -4.94 121.20 116.93 3isy s ILE 33 Ca 0.51 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 3isy s ILE 33 Cb -0.30 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3isy s ILE 33 CO 0.39 0.38 0.44 -0.70 0.00 0.00 0.00 174.94 175.45 3isy s GLU 34 N 0.94 4.25 -0.06 2.79 2.12 -1.26 -0.79 118.70 126.69 3isy s GLU 34 Ca -0.09 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.67 3isy s GLU 34 Cb -0.15 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 3isy s GLU 34 CO 0.00 0.28 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.80 3isy s PHE 35 N 0.23 2.70 0.05 5.30 0.40 0.83 -4.26 117.98 123.23 3isy s PHE 35 Ca 0.24 -0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 3isy s PHE 35 Cb -0.15 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 3isy s PHE 35 CO 0.10 0.13 -0.23 -0.65 0.70 0.00 0.00 175.22 175.28 3isy s GLN 36 N -0.59 1.91 0.08 0.44 -0.21 -0.87 -0.68 119.66 119.72 3isy s GLN 36 Ca 0.09 -1.06 0.06 0.00 0.02 0.00 0.00 55.36 54.47 3isy s GLN 36 Cb -0.11 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 3isy s GLN 36 CO 0.01 0.52 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.47 3isy s PHE 37 N -0.87 1.46 -0.56 0.91 0.40 -0.70 -0.88 117.98 117.74 3isy s PHE 37 Ca 0.13 -0.43 0.21 0.00 -0.60 0.00 0.00 56.93 56.25 3isy s PHE 37 Cb -0.10 -0.82 -0.28 0.00 0.51 0.00 0.00 43.02 42.33 3isy s PHE 37 CO 0.04 0.11 0.71 -1.13 0.70 0.00 0.00 175.22 175.65 3isy n SER 38 N 1.30 0.55 -4.16 1.36 3.41 -1.26 -0.05 113.62 114.76 3isy n SER 38 Ca -0.20 -0.54 -0.19 0.00 -0.26 0.00 0.00 58.87 57.68 3isy n SER 38 Cb 0.54 1.45 -0.10 0.00 -0.26 0.00 0.00 64.21 65.84 3isy n SER 38 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3isy s THR 39 N -3.24 0.53 0.59 6.66 -4.23 -1.04 -3.53 115.64 111.39 3isy s THR 39 Ca 0.01 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 3isy s THR 39 Cb 0.15 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.78 3isy s THR 39 CO 0.89 0.00 2.24 1.23 -0.54 0.00 0.00 174.62 178.44 3isy h GLY 40 N 2.21 0.00 -4.54 3.99 0.00 -1.19 -3.44 103.07 100.10 3isy h GLY 40 Ca -0.36 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.45 3isy h GLY 40 CO 0.57 0.00 0.92 1.62 0.00 0.00 0.00 176.54 179.65 3isy s GLN 41 N -4.64 4.17 -0.22 4.80 0.74 -1.26 -4.91 119.66 118.35 3isy s GLN 41 Ca -0.05 2.48 0.06 0.00 0.05 0.00 0.00 55.36 57.90 3isy s GLN 41 Cb 0.15 -3.10 -0.20 0.00 1.10 0.00 0.00 33.01 30.96 3isy s GLN 41 CO 0.55 -0.64 -0.06 1.63 -0.55 0.00 0.00 175.29 176.21 3isy n LYS 42 N 3.52 0.67 -4.16 1.67 4.76 -1.26 -4.78 118.16 118.58 3isy n LYS 42 Ca 0.13 0.12 -0.12 0.00 -2.87 0.00 0.00 58.31 55.57 3isy n LYS 42 Cb 0.37 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 3isy n LYS 42 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3isy s PHE 43 N -2.52 1.02 0.04 2.13 -0.71 -1.26 -0.44 117.98 116.24 3isy s PHE 43 Ca -0.26 -1.26 0.07 0.00 -1.04 0.00 0.00 56.93 54.44 3isy s PHE 43 Cb 0.08 -0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 41.47 3isy s PHE 43 CO 0.69 -0.74 -0.19 -2.00 -1.34 0.00 0.00 175.22 171.63 3isy s GLU 44 N -4.06 1.29 -0.02 1.99 2.56 0.15 -4.87 118.70 115.74 3isy s GLU 44 Ca 0.35 -0.91 0.00 0.00 0.00 0.00 0.00 54.97 54.42 3isy s GLU 44 Cb 0.05 -1.39 0.02 0.00 2.00 0.00 0.00 34.13 34.81 3isy s GLU 44 CO 0.12 0.35 -0.00 -1.17 -0.56 0.00 0.00 175.26 174.00 3isy s LEU 45 N -1.19 1.42 -0.02 2.70 0.20 -1.26 -0.62 118.68 119.91 3isy s LEU 45 Ca 0.06 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.87 3isy s LEU 45 Cb -0.09 -0.17 0.02 0.00 -0.43 0.00 0.00 46.19 45.52 3isy s LEU 45 CO 0.02 -0.06 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.31 3isy s VAL 46 N 0.69 0.24 -0.29 1.68 1.01 -0.52 -1.45 120.40 121.77 3isy s VAL 46 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 3isy s VAL 46 Cb -0.10 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3isy s VAL 46 CO -0.01 0.14 0.08 -0.69 0.00 0.00 0.00 175.10 174.61 3isy s VAL 47 N 0.73 3.96 -0.02 2.92 1.01 0.73 -1.44 120.40 128.30 3isy s VAL 47 Ca -0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3isy s VAL 47 Cb -0.11 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3isy s VAL 47 CO -0.01 0.10 0.20 -0.31 0.00 0.00 0.00 175.10 175.08 3isy s TYR 48 N 1.50 3.56 0.45 5.22 2.02 0.83 0.92 117.35 131.86 3isy s TYR 48 Ca 0.03 0.42 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 3isy s TYR 48 Cb -0.17 -1.88 0.08 0.00 -0.40 0.00 0.00 41.96 39.60 3isy s TYR 48 CO 0.02 0.65 0.62 -0.40 -1.57 0.00 0.00 175.55 174.87 3isy n ASP 49 N 1.08 1.10 0.01 2.29 5.68 -0.69 -1.30 116.55 124.72 3isy n ASP 49 Ca -0.12 -1.86 0.04 0.00 -0.50 0.00 0.00 54.79 52.35 3isy n ASP 49 Cb 0.53 -0.38 0.17 0.00 -1.14 0.00 0.00 41.12 40.30 3isy n ASP 49 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3isy n SER 50 N -2.79 0.06 -1.03 -1.12 3.41 -1.26 -0.19 113.62 110.69 3isy n SER 50 Ca 0.11 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3isy n SER 50 Cb 0.40 -0.53 0.26 0.00 -0.26 0.00 0.00 64.21 64.08 3isy n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3isy n GLU 51 N -1.57 3.21 -1.90 4.33 1.02 -1.26 -4.95 120.64 119.51 3isy n GLU 51 Ca 0.01 -2.62 -0.20 0.00 -0.02 0.00 0.00 57.16 54.33 3isy n GLU 51 Cb 0.08 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.74 3isy n GLU 51 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3isy n HIS 52 N 0.28 -0.43 -2.79 -0.32 8.25 0.73 -4.98 115.22 115.97 3isy n HIS 52 Ca 0.20 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.28 3isy n HIS 52 Cb 0.76 -3.59 -0.06 0.00 1.12 0.00 0.00 29.99 28.22 3isy n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3isy s LYS 53 N -4.23 4.63 -0.07 -0.41 1.02 -1.26 -4.78 119.74 114.64 3isy s LYS 53 Ca 0.00 1.34 -0.30 0.00 0.02 0.00 0.00 55.97 57.03 3isy s LYS 53 Cb 0.00 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3isy s LYS 53 CO 0.00 0.34 1.27 -1.21 -0.92 0.00 0.00 175.35 174.83 3isy s GLU 54 N -1.84 4.31 -0.08 1.68 2.02 -1.26 -1.71 118.70 121.81 3isy s GLU 54 Ca 0.48 1.75 0.18 0.00 0.02 0.00 0.00 54.97 57.39 3isy s GLU 54 Cb -0.20 -3.61 -0.24 0.00 0.10 0.00 0.00 34.13 30.17 3isy s GLU 54 CO 0.25 -0.54 0.40 0.54 0.02 0.00 0.00 175.26 175.93 3isy n ARG 55 N 5.57 0.66 -3.75 1.61 5.12 0.26 -4.96 116.66 121.18 3isy n ARG 55 Ca 0.12 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.94 3isy n ARG 55 Cb 0.45 -1.61 -0.10 0.00 -1.16 0.00 0.00 32.46 30.04 3isy n ARG 55 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3isy s TYR 56 N -2.84 -0.39 -0.08 -1.55 5.04 -1.18 -4.95 117.35 111.40 3isy s TYR 56 Ca -0.07 0.95 -0.03 0.00 -2.44 0.00 0.00 57.07 55.48 3isy s TYR 56 Cb 0.09 0.14 0.04 0.00 0.35 0.00 0.00 41.96 42.57 3isy s TYR 56 CO 0.84 -0.21 0.05 0.50 -1.34 0.00 0.00 175.55 175.39 3isy s ARG 57 N 0.08 0.11 0.27 4.97 3.52 -1.26 -0.19 118.95 126.45 3isy s ARG 57 Ca -0.01 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 3isy s ARG 57 Cb -0.03 -0.95 0.58 0.00 -1.56 0.00 0.00 34.95 32.99 3isy s ARG 57 CO 0.01 -0.41 1.76 -0.92 -0.81 0.00 0.00 175.30 174.92 3isy h TYR 58 N 8.41 0.79 -0.01 5.12 3.20 -1.65 -1.65 116.97 131.16 3isy h TYR 58 Ca -0.14 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 3isy h TYR 58 Cb 1.13 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3isy h TYR 58 CO 0.40 0.16 -0.26 1.03 -1.64 0.00 0.00 178.16 177.84 3isy h SER 59 N 0.61 0.02 -3.73 -2.11 0.87 -1.90 -3.44 113.55 103.88 3isy h SER 59 Ca 0.49 -0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 60.51 3isy h SER 59 Cb 0.73 -0.01 0.09 0.00 -0.44 0.00 0.00 62.40 62.78 3isy h SER 59 CO -0.39 0.29 0.78 -0.54 -0.53 0.00 0.00 176.83 176.44 3isy s LYS 60 N -4.44 4.17 -0.10 2.24 3.01 -0.62 -2.46 119.74 121.53 3isy s LYS 60 Ca -0.04 2.48 0.00 0.00 -1.01 0.00 0.00 55.97 57.40 3isy s LYS 60 Cb 0.15 -3.02 0.00 0.00 -1.01 0.00 0.00 37.83 33.96 3isy s LYS 60 CO 0.71 -0.48 0.00 0.39 0.51 0.00 0.00 175.35 176.48 3isy n GLU 61 N 1.13 -0.25 -0.35 1.68 1.02 -1.26 -5.00 120.64 117.60 3isy n GLU 61 Ca 0.03 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3isy n GLU 61 Cb 0.39 -3.59 0.00 0.00 -0.02 0.00 0.00 31.44 28.23 3isy n GLU 61 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3isy n LYS 62 N -2.60 2.71 -3.63 3.49 5.02 -1.03 -5.23 118.16 116.88 3isy n LYS 62 Ca -0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 3isy n LYS 62 Cb 0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.03 3isy n LYS 62 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3isy s PHE 64 N 0.18 -0.14 0.41 2.13 0.08 -1.26 -5.05 117.98 114.32 3isy s PHE 64 Ca 0.00 0.29 -0.25 0.00 0.12 0.00 0.00 56.93 57.09 3isy s PHE 64 Cb 0.00 0.47 -0.08 0.00 -0.57 0.00 0.00 43.02 42.84 3isy s PHE 64 CO 0.00 -0.10 1.16 0.99 -0.10 0.00 0.00 175.22 177.17 3isy s THR 65 N -0.52 3.20 -1.26 0.64 2.01 -1.26 -4.84 115.64 113.61 3isy s THR 65 Ca 0.06 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 62.98 3isy s THR 65 Cb -0.03 -3.54 0.18 0.00 0.01 0.00 0.00 72.50 69.12 3isy s THR 65 CO -0.09 0.07 1.97 0.00 -0.69 0.00 0.00 174.62 175.88 3isy n GLN 66 N 0.01 4.10 -4.68 4.92 1.13 -1.26 -1.08 117.38 120.52 3isy n GLN 66 Ca 0.05 -3.69 -0.33 0.00 -1.94 0.00 0.00 57.00 51.08 3isy n GLN 66 Cb 0.47 -2.77 -0.13 0.00 0.11 0.00 0.00 30.24 27.92 3isy n GLN 66 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3isy s ALA 67 N -0.69 2.80 0.52 -1.58 0.00 -1.23 -4.91 121.76 116.66 3isy s ALA 67 Ca 0.42 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 3isy s ALA 67 Cb 0.12 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 3isy s ALA 67 CO -0.02 0.38 1.11 -0.06 0.00 0.00 0.00 175.76 177.17 3isy s PHE 68 N -0.13 2.79 0.06 0.00 0.08 -1.25 -2.51 117.98 117.02 3isy s PHE 68 Ca 0.00 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.63 3isy s PHE 68 Cb -0.13 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 3isy s PHE 68 CO 0.03 -1.34 -0.08 -0.65 -0.10 0.00 0.00 175.22 173.08 3isy s GLN 69 N -3.19 0.63 -0.16 0.44 -0.21 0.93 -4.95 119.66 113.15 3isy s GLN 69 Ca 0.70 -0.91 -0.02 0.00 0.02 0.00 0.00 55.36 55.15 3isy s GLN 69 Cb -0.22 -0.33 0.05 0.00 1.00 0.00 0.00 33.01 33.51 3isy s GLN 69 CO 0.26 0.05 0.02 -0.80 -2.12 0.00 0.00 175.29 172.70 3isy s ASN 70 N -1.93 2.58 -0.05 5.90 0.01 -1.26 -1.72 114.94 118.46 3isy s ASN 70 Ca -0.04 -0.63 0.06 0.00 -0.71 0.00 0.00 52.86 51.54 3isy s ASN 70 Cb -0.07 -0.57 -0.01 0.00 0.41 0.00 0.00 41.25 41.01 3isy s ASN 70 CO -0.01 -0.27 -0.24 -0.22 -1.51 0.00 0.00 177.10 174.85 3isy s LEU 71 N 1.88 2.06 -0.21 0.60 2.96 0.14 -5.00 118.68 121.11 3isy s LEU 71 Ca 0.01 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3isy s LEU 71 Cb -0.16 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 3isy s LEU 71 CO -0.07 0.24 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.24 3isy s THR 72 N -0.17 3.19 -0.37 3.68 2.01 -1.26 -0.12 115.64 122.60 3isy s THR 72 Ca -0.03 -0.56 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 3isy s THR 72 Cb -0.13 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 69.95 3isy s THR 72 CO 0.03 0.45 0.54 -0.76 -0.69 0.00 0.00 174.62 174.20 3isy s LEU 73 N 1.33 4.40 0.81 4.42 1.43 0.03 -4.94 118.68 126.16 3isy s LEU 73 Ca 0.04 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3isy s LEU 73 Cb -0.14 -2.62 0.08 0.00 0.03 0.00 0.00 46.19 43.54 3isy s LEU 73 CO -0.04 -0.55 1.11 -1.61 0.23 0.00 0.00 176.35 175.50 3isy s GLU 74 N 2.48 1.86 -0.33 1.70 0.41 -1.26 -0.98 118.70 122.58 3isy s GLU 74 Ca 0.20 1.32 -0.40 0.00 -0.41 0.00 0.00 54.97 55.68 3isy s GLU 74 Cb -0.15 -1.84 -0.15 0.00 -1.78 0.00 0.00 34.13 30.21 3isy s GLU 74 CO 0.14 -1.97 1.90 0.45 -0.49 0.00 0.00 175.26 175.30 3isy n SER 75 N -3.70 2.11 0.00 -0.19 2.88 -1.24 -1.35 113.62 112.13 3isy n SER 75 Ca 0.10 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3isy n SER 75 Cb 0.53 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 3isy n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3isy n GLY 76 N 5.16 3.01 3.79 0.46 0.00 -0.45 -5.02 105.19 112.13 3isy n GLY 76 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 3isy n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3isy s GLU 77 N -0.77 3.59 0.08 1.61 2.12 -0.46 -4.67 118.70 120.21 3isy s GLU 77 Ca 0.00 1.37 0.10 0.00 0.36 0.00 0.00 54.97 56.80 3isy s GLU 77 Cb 0.00 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 3isy s GLU 77 CO 0.00 -0.61 -0.25 0.95 -0.54 0.00 0.00 175.26 174.81 3isy s THR 78 N -2.06 2.30 -0.32 -1.70 -4.23 -1.26 -1.08 115.64 107.30 3isy s THR 78 Ca 0.67 -1.52 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 3isy s THR 78 Cb -0.18 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3isy s THR 78 CO 0.25 0.24 0.14 -0.47 -0.54 0.00 0.00 174.62 174.24 3isy s TYR 79 N -0.94 3.19 -0.11 3.99 5.04 0.12 -4.94 117.35 123.69 3isy s TYR 79 Ca 0.13 -0.85 -0.06 0.00 -2.44 0.00 0.00 57.07 53.85 3isy s TYR 79 Cb -0.10 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 3isy s TYR 79 CO 0.04 -0.56 0.12 -0.51 -1.34 0.00 0.00 175.55 173.31 3isy s ASP 80 N 1.55 6.21 0.01 4.32 1.01 -1.26 -0.81 116.67 127.70 3isy s ASP 80 Ca 0.03 0.42 -0.27 0.00 0.71 0.00 0.00 52.55 53.43 3isy s ASP 80 Cb -0.18 -1.97 0.07 0.00 1.01 0.00 0.00 42.92 41.84 3isy s ASP 80 CO 0.05 0.40 0.62 0.72 0.21 0.00 0.00 175.17 177.18 3isy s PHE 81 N -1.01 -0.58 0.25 4.23 -0.71 -1.26 -5.02 117.98 113.88 3isy s PHE 81 Ca 0.15 0.82 -0.03 0.00 -1.04 0.00 0.00 56.93 56.83 3isy s PHE 81 Cb -0.12 0.42 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 3isy s PHE 81 CO 0.04 -0.66 0.28 -1.54 -1.34 0.00 0.00 175.22 172.00 3isy s SER 82 N -1.65 0.43 0.03 1.98 1.04 -1.26 -4.54 113.70 109.73 3isy s SER 82 Ca -0.08 -1.35 -0.19 0.00 0.48 0.00 0.00 55.95 54.81 3isy s SER 82 Cb -0.01 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.65 3isy s SER 82 CO 0.03 -1.01 0.43 -0.62 0.98 0.00 0.00 173.24 173.06 3isy s ASP 83 N -3.17 -0.32 -0.12 7.02 2.15 0.07 -4.99 116.67 117.31 3isy s ASP 83 Ca 0.34 0.09 0.01 0.00 0.43 0.00 0.00 52.55 53.42 3isy s ASP 83 Cb 0.04 0.43 -0.01 0.00 -0.30 0.00 0.00 42.92 43.07 3isy s ASP 83 CO 0.15 -0.64 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.66 3isy s VAL 84 N -2.21 2.73 -0.32 1.11 1.01 -1.26 -0.27 120.40 121.19 3isy s VAL 84 Ca -0.07 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 3isy s VAL 84 Cb -0.01 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3isy s VAL 84 CO -0.00 0.54 0.35 0.86 0.00 0.00 0.00 175.10 176.84 3isy s TRP 85 N 0.34 3.22 -0.34 5.22 -0.00 0.36 -4.97 118.94 122.76 3isy s TRP 85 Ca -0.13 0.11 -0.00 0.00 -0.00 0.00 0.00 56.10 56.08 3isy s TRP 85 Cb -0.17 -2.61 0.27 0.00 -0.00 0.00 0.00 33.47 30.96 3isy s TRP 85 CO 0.07 -0.35 1.90 1.17 -0.00 0.00 0.00 176.95 179.74 3isy n LYS 86 N 5.34 1.87 -3.51 5.86 3.00 -1.26 -0.84 118.16 128.62 3isy n LYS 86 Ca -0.09 -1.77 0.00 0.00 -0.00 0.00 0.00 58.31 56.45 3isy n LYS 86 Cb 0.50 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.80 3isy n LYS 86 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3isy s GLU 87 N -2.03 0.49 0.21 1.64 -1.05 -1.25 -4.84 118.70 111.87 3isy s GLU 87 Ca 0.35 1.17 -0.31 0.00 -0.15 0.00 0.00 54.97 56.03 3isy s GLU 87 Cb 0.28 0.70 -0.10 0.00 -0.44 0.00 0.00 34.13 34.56 3isy s GLU 87 CO 0.01 -0.22 1.56 0.08 0.95 0.00 0.00 175.26 177.64 3isy s VAL 88 N 2.77 2.46 0.00 1.83 1.01 -1.26 -4.70 120.40 122.52 3isy s VAL 88 Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3isy s VAL 88 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3isy s VAL 88 CO -0.19 0.04 0.00 -0.81 0.00 0.00 0.00 175.10 174.15 3isy n PRO 89 N 3.23 0.92 -2.35 2.72 -0.04 -1.26 -5.05 135.00 133.17 3isy n PRO 89 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3isy n PRO 89 Cb 0.38 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.82 3isy n PRO 89 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3isy s GLU 90 N -1.56 3.66 0.45 0.54 1.03 -1.26 -4.94 118.70 116.62 3isy s GLU 90 Ca 0.00 1.23 -0.22 0.00 0.03 0.00 0.00 54.97 56.01 3isy s GLU 90 Cb 0.00 -2.08 -0.11 0.00 -0.80 0.00 0.00 34.13 31.13 3isy s GLU 90 CO 0.00 -0.53 0.62 -2.30 -1.33 0.00 0.00 175.26 171.72 3isy n PRO 91 N -1.44 0.69 0.00 -4.83 -0.02 -1.26 -4.75 135.00 123.40 3isy n PRO 91 Ca 0.09 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3isy n PRO 91 Cb 0.53 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3isy n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3isy n GLY 92 N 1.68 1.72 3.83 -1.23 0.00 -0.20 -4.94 105.19 106.05 3isy n GLY 92 Ca 0.11 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 3isy n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3isy s THR 93 N -1.75 5.18 0.24 2.61 2.01 -1.26 -0.04 115.64 122.63 3isy s THR 93 Ca 0.00 0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.68 3isy s THR 93 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3isy s THR 93 CO 0.00 0.56 0.07 -0.31 -0.69 0.00 0.00 174.62 174.25 3isy s TYR 94 N -0.85 1.47 -0.06 4.92 1.51 0.48 -4.03 117.35 120.79 3isy s TYR 94 Ca 0.21 -1.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.17 3isy s TYR 94 Cb -0.15 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 3isy s TYR 94 CO 0.10 -0.29 -0.13 -1.21 -1.11 0.00 0.00 175.55 172.91 3isy s GLU 95 N -4.00 1.65 -0.18 -0.62 2.02 -0.42 -0.75 118.70 116.41 3isy s GLU 95 Ca 0.34 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.83 3isy s GLU 95 Cb 0.07 -1.39 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 3isy s GLU 95 CO 0.11 0.09 0.01 0.54 0.02 0.00 0.00 175.26 176.03 3isy s VAL 96 N 0.46 4.24 -0.22 2.63 0.11 -0.48 -0.12 120.40 127.02 3isy s VAL 96 Ca -0.11 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3isy s VAL 96 Cb -0.14 -2.89 0.02 0.00 -1.53 0.00 0.00 36.38 31.84 3isy s VAL 96 CO 0.03 0.46 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.41 3isy s LYS 97 N 0.51 2.91 -0.14 1.54 2.20 -0.52 -0.97 119.74 125.28 3isy s LYS 97 Ca -0.00 -0.91 -0.05 0.00 -0.36 0.00 0.00 55.97 54.65 3isy s LYS 97 Cb -0.14 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3isy s LYS 97 CO 0.02 -0.33 0.04 0.08 -0.36 0.00 0.00 175.35 174.80 3isy s VAL 98 N 1.32 4.63 -0.06 4.02 1.01 -0.39 -1.43 120.40 129.49 3isy s VAL 98 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3isy s VAL 98 Cb -0.15 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3isy s VAL 98 CO -0.07 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.47 3isy s THR 99 N -0.28 1.73 -0.04 3.92 2.01 0.21 -1.50 115.64 121.70 3isy s THR 99 Ca 0.08 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 3isy s THR 99 Cb -0.12 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 3isy s THR 99 CO 0.02 0.49 0.64 0.12 -0.69 0.00 0.00 174.62 175.20 3isy s PHE 100 N 0.14 3.63 -0.43 4.92 5.36 0.27 -0.68 117.98 131.20 3isy s PHE 100 Ca -0.09 1.21 0.23 0.00 -0.96 0.00 0.00 56.93 57.33 3isy s PHE 100 Cb -0.14 -2.70 0.28 0.00 -0.34 0.00 0.00 43.02 40.11 3isy s PHE 100 CO 0.05 0.22 1.42 0.87 -1.46 0.00 0.00 175.22 176.31 3isy h LYS 101 N 6.20 0.00 -6.96 10.12 1.79 -1.06 -3.40 116.57 123.26 3isy h LYS 101 Ca -0.43 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.53 3isy h LYS 101 Cb 1.20 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.91 3isy h LYS 101 CO 0.73 0.00 0.53 0.20 -1.08 0.00 0.00 179.45 179.82 3isy s GLY 102 N -4.14 2.87 -0.22 3.86 0.00 -1.26 -4.72 107.32 103.71 3isy s GLY 102 Ca 0.05 1.03 -0.00 0.00 0.00 0.00 0.00 44.72 45.80 3isy s GLY 102 CO 0.71 1.55 -0.12 0.50 0.00 0.00 0.00 173.10 175.74 3isy s ARG 103 N -2.37 2.90 -0.02 2.90 1.81 -0.05 -4.72 118.95 119.39 3isy s ARG 103 Ca 0.59 -0.91 -0.06 0.00 -1.72 0.00 0.00 55.73 53.62 3isy s ARG 103 Cb -0.32 -2.81 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 3isy s ARG 103 CO 0.40 -0.31 0.24 0.00 -0.68 0.00 0.00 175.30 174.95 3isy s ALA 104 N 1.30 3.86 0.19 2.13 0.00 -1.26 -2.06 121.76 125.93 3isy s ALA 104 Ca 0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 3isy s ALA 104 Cb -0.15 -2.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 3isy s ALA 104 CO -0.08 0.65 1.39 -2.00 0.00 0.00 0.00 175.76 175.72 3isy s GLU 105 N -1.61 4.32 -1.45 0.00 2.12 -1.26 -2.59 118.70 118.23 3isy s GLU 105 Ca 0.25 2.16 -0.08 0.00 0.36 0.00 0.00 54.97 57.66 3isy s GLU 105 Cb -0.13 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 31.10 3isy s GLU 105 CO 0.14 -0.38 0.95 0.09 -0.54 0.00 0.00 175.26 175.52 3isy n ASN 106 N 2.96 -6.09 -3.89 -1.70 4.13 -1.26 -5.02 115.26 104.39 3isy n ASN 106 Ca 0.08 -0.47 -0.19 0.00 1.68 0.00 0.00 54.58 55.68 3isy n ASN 106 Cb 0.41 -4.84 -0.16 0.00 -1.54 0.00 0.00 39.78 33.65 3isy n ASN 106 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3isy s LEU 107 N -7.07 1.35 0.43 3.41 1.02 -1.07 -5.13 118.68 111.62 3isy s LEU 107 Ca 0.49 -0.12 -0.23 0.00 0.02 0.00 0.00 54.13 54.29 3isy s LEU 107 Cb -0.22 -0.42 -0.11 0.00 0.02 0.00 0.00 46.19 45.46 3isy s LEU 107 CO 0.61 -0.05 0.88 0.29 0.02 0.00 0.00 176.35 178.09 3isy n LYS 108 N 4.00 1.09 -1.65 1.70 4.76 -1.26 -4.63 118.16 122.17 3isy n LYS 108 Ca -0.25 0.39 -0.42 0.00 -2.87 0.00 0.00 58.31 55.16 3isy n LYS 108 Cb 0.51 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3isy n LYS 108 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3isy n GLN 109 N 0.20 1.65 -3.05 1.97 7.27 -1.26 -4.92 117.38 119.24 3isy n GLN 109 Ca 0.10 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.34 3isy n GLN 109 Cb 0.39 -2.16 -0.06 0.00 2.41 0.00 0.00 30.24 30.82 3isy n GLN 109 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3isy s VAL 110 N -1.19 4.82 0.05 1.69 1.01 -1.26 -5.00 120.40 120.52 3isy s VAL 110 Ca 0.60 0.65 0.01 0.00 0.00 0.00 0.00 61.98 63.24 3isy s VAL 110 Cb -0.57 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 3isy s VAL 110 CO 0.59 -0.39 -0.06 0.00 0.00 0.00 0.00 175.10 175.24 3isy s GLN 111 N 2.87 0.53 0.09 2.72 -2.07 -1.26 -0.57 119.66 121.97 3isy s GLN 111 Ca 0.27 -0.86 0.04 0.00 -1.82 0.00 0.00 55.36 52.99 3isy s GLN 111 Cb -0.14 -0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.63 3isy s GLN 111 CO 0.16 -0.01 -0.11 0.00 -1.32 0.00 0.00 175.29 174.01 3isy s ALA 112 N -2.04 1.13 0.21 2.60 0.00 -0.56 -4.91 121.76 118.19 3isy s ALA 112 Ca -0.06 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 50.89 3isy s ALA 112 Cb -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 3isy s ALA 112 CO -0.02 0.03 -0.20 0.14 0.00 0.00 0.00 175.76 175.71 3isy s VAL 113 N -2.01 2.17 -0.23 0.00 -7.23 -1.26 -1.26 120.40 110.58 3isy s VAL 113 Ca 0.03 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 3isy s VAL 113 Cb -0.06 -2.09 0.12 0.00 0.56 0.00 0.00 36.38 34.91 3isy s VAL 113 CO 0.01 -0.31 0.44 -1.58 -0.31 0.00 0.00 175.10 173.35 3isy s GLN 114 N -3.07 0.38 0.49 4.82 2.00 -0.14 -4.96 119.66 119.19 3isy s GLN 114 Ca 0.22 0.91 -0.22 0.00 -2.00 0.00 0.00 55.36 54.27 3isy s GLN 114 Cb -0.06 0.14 -0.07 0.00 0.80 0.00 0.00 33.01 33.83 3isy s GLN 114 CO 0.10 -0.41 1.17 -0.65 -0.50 0.00 0.00 175.29 175.00 3isy s GLN 115 N 2.64 3.58 -0.17 1.67 -0.21 -1.26 -1.38 119.66 124.54 3isy s GLN 115 Ca 0.05 1.76 -0.26 0.00 0.02 0.00 0.00 55.36 56.93 3isy s GLN 115 Cb -0.13 -2.27 0.07 0.00 1.00 0.00 0.00 33.01 31.67 3isy s GLN 115 CO -0.15 -0.69 0.66 -0.59 -2.12 0.00 0.00 175.29 172.40 3isy s PHE 116 N -1.59 -0.69 -0.16 0.91 -0.71 0.07 -4.94 117.98 110.87 3isy s PHE 116 Ca 0.67 1.50 -0.10 0.00 -1.04 0.00 0.00 56.93 57.96 3isy s PHE 116 Cb -0.28 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.79 3isy s PHE 116 CO 0.33 -0.45 0.19 -1.21 -1.34 0.00 0.00 175.22 172.74 3isy s GLU 117 N -0.28 3.97 -0.13 1.99 2.02 -1.26 -0.39 118.70 124.62 3isy s GLU 117 Ca -0.05 -0.08 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 3isy s GLU 117 Cb -0.03 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 3isy s GLU 117 CO 0.04 0.45 0.44 0.08 0.02 0.00 0.00 175.26 176.30 3isy s VAL 118 N -0.11 5.21 -0.70 2.63 1.01 0.94 -4.93 120.40 124.46 3isy s VAL 118 Ca 0.13 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.04 3isy s VAL 118 Cb -0.12 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.52 3isy s VAL 118 CO 0.02 0.33 0.68 0.29 0.00 0.00 0.00 175.10 176.42