#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n LYS 2 N 0.00 1.11 -3.83 2.12 4.76 -1.26 -2.47 118.16 118.58 3i8f n LYS 2 Ca 0.00 0.40 -0.09 0.00 -2.87 0.00 0.00 58.31 55.74 3i8f n LYS 2 Cb 0.00 -2.00 -0.07 0.00 -1.84 0.00 0.00 35.03 31.11 3i8f n LYS 2 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3i8f s VAL 3 N 0.32 0.13 -0.17 -0.18 -7.23 0.44 -2.40 120.40 111.31 3i8f s VAL 3 Ca 0.82 -1.05 -0.04 0.00 -1.81 0.00 0.00 61.98 59.90 3i8f s VAL 3 Cb -0.94 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 3i8f s VAL 3 CO 0.48 -0.58 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.04 3i8f s ILE 4 N -3.51 3.93 -0.03 -0.62 1.01 0.19 -0.51 121.20 121.67 3i8f s ILE 4 Ca 0.02 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 3i8f s ILE 4 Cb 0.03 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3i8f s ILE 4 CO -0.09 0.48 0.89 -0.76 0.00 0.00 0.00 174.94 175.46 3i8f s LEU 5 N 0.52 4.35 0.00 2.97 1.02 -1.04 -0.28 118.68 126.21 3i8f s LEU 5 Ca -0.02 1.50 0.24 0.00 0.02 0.00 0.00 54.13 55.87 3i8f s LEU 5 Cb -0.14 -3.42 0.40 0.00 0.02 0.00 0.00 46.19 43.05 3i8f s LEU 5 CO 0.03 -0.23 1.38 0.18 0.02 0.00 0.00 176.35 177.73 3i8f n LEU 6 N 3.93 2.75 -3.83 1.79 4.32 -1.16 -0.06 117.00 124.74 3i8f n LEU 6 Ca 0.04 -0.97 -0.13 0.00 -0.02 0.00 0.00 56.01 54.93 3i8f n LEU 6 Cb 0.51 -0.04 -0.15 0.00 -1.62 0.00 0.00 43.42 42.12 3i8f n LEU 6 CO 0.50 0.48 -0.36 -0.70 -1.22 0.00 0.00 177.39 176.10 3i8f s GLU 7 N -1.92 -0.01 0.00 3.23 2.56 -1.25 -4.88 118.70 116.43 3i8f s GLU 7 Ca 0.31 0.08 -0.05 0.00 0.00 0.00 0.00 54.97 55.31 3i8f s GLU 7 Cb 0.20 -0.12 -0.23 0.00 2.00 0.00 0.00 34.13 35.99 3i8f s GLU 7 CO 0.31 -0.07 3.30 -0.35 -0.56 0.00 0.00 175.26 177.89 3i8f n PRO 8 N 3.56 1.80 -1.35 4.30 -0.04 -1.26 -4.38 135.00 137.62 3i8f n PRO 8 Ca -0.19 -0.86 -0.35 0.00 -0.04 0.00 0.00 63.50 62.06 3i8f n PRO 8 Cb 0.56 -1.89 0.11 0.00 -0.04 0.00 0.00 33.50 32.23 3i8f n PRO 8 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3i8f n LEU 9 N 2.45 5.10 -4.28 1.53 -0.00 -1.25 -4.79 117.00 115.75 3i8f n LEU 9 Ca 0.37 0.68 -0.36 0.00 -0.00 0.00 0.00 56.01 56.70 3i8f n LEU 9 Cb 0.83 -1.53 0.06 0.00 -0.00 0.00 0.00 43.42 42.78 3i8f n LEU 9 CO 0.12 -1.41 -0.50 1.21 -0.00 0.00 0.00 177.39 176.81 3i8f n GLU 10 N -2.75 0.05 -2.95 1.47 0.00 -1.26 -3.68 120.64 111.51 3i8f n GLU 10 Ca 0.15 0.04 -0.09 0.00 0.00 0.00 0.00 57.16 57.26 3i8f n GLU 10 Cb 0.49 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.49 3i8f n GLU 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3i8f n ASN 11 N 1.12 -1.62 0.00 4.31 5.15 -1.26 -4.55 115.26 118.41 3i8f n ASN 11 Ca 0.05 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 3i8f n ASN 11 Cb 0.52 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 3i8f n ASN 11 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3i8f n LEU 12 N -1.24 0.00 0.00 1.20 7.94 -1.24 -5.17 117.00 118.49 3i8f n LEU 12 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 3i8f n LEU 12 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 3i8f n LEU 12 CO 0.22 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 3i8f n GLY 13 N 0.00 1.70 3.78 -3.96 0.00 -1.24 -4.72 105.19 100.75 3i8f n GLY 13 Ca 0.00 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 3i8f n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8f s ASP 14 N 0.00 5.25 -0.10 1.61 1.01 -1.26 -3.94 116.67 119.24 3i8f s ASP 14 Ca 0.00 1.94 -0.36 0.00 0.71 0.00 0.00 52.55 54.83 3i8f s ASP 14 Cb 0.00 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 41.25 3i8f s ASP 14 CO 0.00 -1.53 1.73 0.52 0.21 0.00 0.00 175.17 176.10 3i8f n VAL 15 N -2.40 0.34 0.00 -1.27 0.31 -1.26 -0.87 118.33 113.19 3i8f n VAL 15 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3i8f n VAL 15 Cb 0.52 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 3i8f n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8f n GLY 16 N 3.98 1.72 3.77 2.92 0.00 0.92 -4.99 105.19 113.50 3i8f n GLY 16 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3i8f n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i8f s GLN 17 N -0.58 4.00 -0.91 1.61 0.74 -0.05 -4.79 119.66 119.68 3i8f s GLN 17 Ca 0.00 1.87 -0.10 0.00 0.05 0.00 0.00 55.36 57.18 3i8f s GLN 17 Cb 0.00 -2.65 0.23 0.00 1.10 0.00 0.00 33.01 31.70 3i8f s GLN 17 CO 0.00 -0.37 0.85 0.08 -0.55 0.00 0.00 175.29 175.30 3i8f s VAL 18 N -1.41 5.42 0.10 1.34 1.01 -1.26 -2.51 120.40 123.08 3i8f s VAL 18 Ca 0.58 -3.01 -0.01 0.00 0.00 0.00 0.00 61.98 59.54 3i8f s VAL 18 Cb -0.31 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 3i8f s VAL 18 CO 0.39 -1.07 0.28 0.54 0.00 0.00 0.00 175.10 175.23 3i8f s VAL 19 N -0.52 5.31 -0.04 2.92 0.11 0.33 -4.73 120.40 123.77 3i8f s VAL 19 Ca 0.23 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3i8f s VAL 19 Cb -0.11 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 3i8f s VAL 19 CO -0.08 0.08 -0.03 1.51 -3.33 0.00 0.00 175.10 173.24 3i8f s ASP 20 N -2.56 4.94 0.00 3.54 3.84 -1.26 0.17 116.67 125.33 3i8f s ASP 20 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 52.55 52.92 3i8f s ASP 20 Cb -0.12 -1.28 0.00 0.00 -1.38 0.00 0.00 42.92 40.13 3i8f s ASP 20 CO 0.27 0.33 0.00 1.33 -0.00 0.00 0.00 175.17 177.10 3i8f n VAL 21 N 1.82 0.00 -3.33 2.11 0.24 -1.03 -4.78 118.33 113.36 3i8f n VAL 21 Ca -0.17 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.76 3i8f n VAL 21 Cb 0.53 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 3i8f n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3i8f s LYS 22 N -0.45 4.11 0.34 7.34 1.02 -1.26 -2.10 119.74 128.73 3i8f s LYS 22 Ca 0.00 0.63 0.13 0.00 0.02 0.00 0.00 55.97 56.76 3i8f s LYS 22 Cb 0.00 -3.16 1.07 0.00 -0.52 0.00 0.00 37.83 35.23 3i8f s LYS 22 CO 0.00 0.61 1.64 -1.35 -0.92 0.00 0.00 175.35 175.32 3i8f h PRO 23 N 4.31 0.21 0.59 -1.68 0.11 -1.99 -0.21 132.00 133.35 3i8f h PRO 23 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3i8f h PRO 23 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i8f h PRO 23 CO 0.64 0.14 -0.30 0.78 -0.21 0.00 0.00 178.00 179.05 3i8f h GLY 24 N 0.22 -0.88 0.58 -0.55 0.00 -1.99 -0.18 103.07 100.28 3i8f h GLY 24 Ca 0.73 0.33 0.12 0.00 0.00 0.00 0.00 47.33 48.51 3i8f h GLY 24 CO -0.67 -0.32 0.58 -1.82 0.00 0.00 0.00 176.54 174.32 3i8f h TYR 25 N -0.81 0.91 0.15 5.60 5.03 -1.74 -0.56 116.97 125.56 3i8f h TYR 25 Ca -0.08 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 3i8f h TYR 25 Cb 0.63 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.62 3i8f h TYR 25 CO 0.07 0.37 -0.07 0.00 -1.32 0.00 0.00 178.16 177.20 3i8f h ALA 26 N 1.58 -0.92 -0.39 1.82 0.00 -0.94 -0.23 119.26 120.18 3i8f h ALA 26 Ca 0.44 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.37 3i8f h ALA 26 Cb 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3i8f h ALA 26 CO -0.21 -0.91 0.26 0.00 0.00 0.00 0.00 179.25 178.40 3i8f h ARG 27 N -0.23 0.23 0.00 0.00 3.08 -0.93 -1.65 114.38 114.89 3i8f h ARG 27 Ca -0.02 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 3i8f h ARG 27 Cb 0.16 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3i8f h ARG 27 CO 0.03 0.15 -2.19 0.09 -1.07 0.00 0.00 179.97 176.99 3i8f n ASN 28 N -4.47 0.28 0.00 7.04 3.02 -0.23 -4.24 115.26 116.66 3i8f n ASN 28 Ca 0.05 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3i8f n ASN 28 Cb 0.29 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 3i8f n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8f n TYR 29 N -2.84 0.00 0.00 3.10 9.36 -0.14 -4.71 117.16 121.93 3i8f n TYR 29 Ca -0.28 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.94 3i8f n TYR 29 Cb 1.13 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.84 3i8f n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i8f n LEU 30 N -2.14 0.00 -0.15 2.98 4.77 -0.92 -2.79 117.00 118.74 3i8f n LEU 30 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3i8f n LEU 30 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 3i8f n LEU 30 CO 0.00 0.00 0.35 0.18 -1.33 0.00 0.00 177.39 176.59 3i8f n LEU 31 N 0.00 -0.06 -0.16 2.23 4.32 -0.64 0.71 117.00 123.41 3i8f n LEU 31 Ca 0.00 0.75 -0.01 0.00 -0.02 0.00 0.00 56.01 56.73 3i8f n LEU 31 Cb 0.00 -0.27 0.22 0.00 -1.62 0.00 0.00 43.42 41.75 3i8f n LEU 31 CO 0.00 -0.76 1.09 -0.65 -1.22 0.00 0.00 177.39 175.85 3i8f h PRO 32 N 0.00 0.88 -0.25 3.23 0.11 -1.74 -2.16 132.00 132.07 3i8f h PRO 32 Ca 0.26 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i8f h PRO 32 Cb 0.53 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3i8f h PRO 32 CO -0.42 0.70 0.00 0.54 -0.21 0.00 0.00 178.00 178.61 3i8f n ARG 33 N -4.34 1.89 -1.91 1.05 1.74 0.22 -4.94 116.66 110.38 3i8f n ARG 33 Ca 0.05 -1.35 -0.17 0.00 -0.77 0.00 0.00 57.85 55.62 3i8f n ARG 33 Cb 0.14 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 3i8f n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8f n GLY 34 N 1.19 0.66 0.73 -0.13 0.00 -0.81 -4.87 105.19 101.96 3i8f n GLY 34 Ca 0.16 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3i8f n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8f n LEU 35 N -2.16 2.08 0.00 0.99 4.77 -1.22 -4.73 117.00 116.73 3i8f n LEU 35 Ca -0.18 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3i8f n LEU 35 Cb 0.60 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3i8f n LEU 35 CO 0.24 0.42 0.00 0.00 -1.33 0.00 0.00 177.39 176.72 3i8f n ALA 36 N 0.38 0.00 -2.24 -1.18 0.00 -1.26 -2.97 120.51 113.24 3i8f n ALA 36 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 3i8f n ALA 36 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 3i8f n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8f s VAL 37 N -2.00 0.30 0.57 0.00 1.01 0.62 -4.25 120.40 116.65 3i8f s VAL 37 Ca 0.00 -1.70 -0.20 0.00 0.00 0.00 0.00 61.98 60.08 3i8f s VAL 37 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3i8f s VAL 37 CO 0.00 -0.90 1.23 -0.76 0.00 0.00 0.00 175.10 174.67 3i8f s LEU 38 N -2.72 3.72 -0.04 3.92 1.02 -1.26 0.55 118.68 123.87 3i8f s LEU 38 Ca 0.05 2.44 -0.02 0.00 0.02 0.00 0.00 54.13 56.61 3i8f s LEU 38 Cb 0.05 -4.52 -0.06 0.00 0.02 0.00 0.00 46.19 41.68 3i8f s LEU 38 CO -0.08 -1.53 2.49 0.00 0.02 0.00 0.00 176.35 177.25 3i8f n ALA 39 N -1.41 4.85 -1.85 4.21 0.00 -1.01 -4.60 120.51 120.70 3i8f n ALA 39 Ca 0.13 -0.76 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 3i8f n ALA 39 Cb 0.49 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3i8f n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i8f s THR 40 N 0.02 4.28 0.27 0.00 -4.23 -1.26 -4.76 115.64 109.96 3i8f s THR 40 Ca 0.24 1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 62.47 3i8f s THR 40 Cb 0.12 -4.01 0.28 0.00 1.34 0.00 0.00 72.50 70.24 3i8f s THR 40 CO -0.01 0.20 1.66 -0.33 -0.54 0.00 0.00 174.62 175.60 3i8f h GLU 41 N 3.35 0.23 -1.55 3.99 5.08 -1.96 1.05 114.58 124.77 3i8f h GLU 41 Ca -0.47 -0.01 0.47 0.00 -1.00 0.00 0.00 59.36 58.34 3i8f h GLU 41 Cb 1.19 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 3i8f h GLU 41 CO 0.65 0.15 1.08 1.03 -1.00 0.00 0.00 179.01 180.92 3i8f h SER 42 N 0.24 0.10 0.00 1.42 0.87 -1.95 0.56 113.55 114.79 3i8f h SER 42 Ca 0.50 0.05 -0.34 0.00 -1.23 0.00 0.00 61.79 60.77 3i8f h SER 42 Cb 0.95 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 3i8f h SER 42 CO -0.60 -0.06 -2.28 0.59 -0.53 0.00 0.00 176.83 173.95 3i8f n ASN 43 N -4.27 1.63 0.12 6.23 3.02 0.30 -3.86 115.26 118.43 3i8f n ASN 43 Ca 0.37 -0.08 -0.06 0.00 -0.03 0.00 0.00 54.58 54.78 3i8f n ASN 43 Cb 1.61 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 40.85 3i8f n ASN 43 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3i8f h LEU 44 N 0.00 -0.44 -1.08 3.41 3.38 0.41 0.69 115.31 121.68 3i8f h LEU 44 Ca -0.50 0.03 0.16 0.00 0.09 0.00 0.00 57.88 57.65 3i8f h LEU 44 Cb 1.91 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 42.70 3i8f h LEU 44 CO -0.04 -0.24 0.62 0.07 0.09 0.00 0.00 178.44 178.94 3i8f h LYS 45 N -0.37 0.80 -0.08 1.13 2.10 -0.33 0.46 116.57 120.28 3i8f h LYS 45 Ca -0.03 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 3i8f h LYS 45 Cb 0.31 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 3i8f h LYS 45 CO 0.01 0.53 -0.06 0.00 -2.00 0.00 0.00 179.45 177.93 3i8f h ALA 46 N 1.59 0.00 0.29 0.07 0.00 -1.55 0.24 119.26 119.91 3i8f h ALA 46 Ca 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 3i8f h ALA 46 Cb 0.72 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3i8f h ALA 46 CO -0.30 -0.53 -0.25 1.25 0.00 0.00 0.00 179.25 179.43 3i8f h LEU 47 N -0.07 -0.65 -0.65 0.00 5.85 0.35 -1.04 115.31 119.10 3i8f h LEU 47 Ca 0.05 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.96 3i8f h LEU 47 Cb 0.15 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 3i8f h LEU 47 CO -0.12 -0.37 0.01 -0.08 -0.34 0.00 0.00 178.44 177.54 3i8f h GLU 48 N -0.55 0.12 0.25 1.25 4.57 0.17 -0.99 114.58 119.40 3i8f h GLU 48 Ca -0.02 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3i8f h GLU 48 Cb 0.49 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3i8f h GLU 48 CO -0.03 0.08 -0.12 0.00 -1.18 0.00 0.00 179.01 177.76 3i8f h ALA 49 N 1.59 -0.97 0.00 2.92 0.00 -0.15 -2.51 119.26 120.14 3i8f h ALA 49 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3i8f h ALA 49 Cb 0.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i8f h ALA 49 CO -0.55 -0.95 0.02 2.89 0.00 0.00 0.00 179.25 180.66 3i8f n ARG 50 N -2.98 0.00 0.00 0.00 1.85 -0.43 -1.53 116.66 113.57 3i8f n ARG 50 Ca -0.04 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3i8f n ARG 50 Cb 0.13 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 3i8f n ARG 50 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3i8f n ILE 51 N -0.97 0.00 0.00 8.89 5.41 -0.39 -3.98 119.36 128.32 3i8f n ILE 51 Ca 0.00 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3i8f n ILE 51 Cb 0.02 -0.99 0.01 0.00 -0.71 0.00 0.00 39.64 37.97 3i8f n ILE 51 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3i8f n ARG 52 N -1.57 0.00 0.10 0.38 -4.01 -0.97 -0.66 116.66 109.93 3i8f n ARG 52 Ca 0.00 0.34 -0.04 0.00 -1.04 0.00 0.00 57.85 57.11 3i8f n ARG 52 Cb 0.00 -1.68 -0.02 0.00 -3.04 0.00 0.00 32.46 27.72 3i8f n ARG 52 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3i8f h ALA 53 N 1.33 -0.60 -0.92 2.89 0.00 -1.48 -2.64 119.26 117.85 3i8f h ALA 53 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i8f h ALA 53 Cb 0.34 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3i8f h ALA 53 CO 0.00 -0.58 0.54 -0.56 0.00 0.00 0.00 179.25 178.65 3i8f h GLN 54 N -0.45 1.25 -0.14 0.00 3.07 -1.02 0.42 115.11 118.25 3i8f h GLN 54 Ca -0.03 -0.12 0.04 0.00 0.09 0.00 0.00 58.65 58.63 3i8f h GLN 54 Cb 0.21 -0.26 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 3i8f h GLN 54 CO 0.05 0.89 0.45 0.00 0.09 0.00 0.00 178.83 180.30 3i8f h ALA 55 N 1.29 1.65 0.00 0.06 0.00 -1.15 0.23 119.26 121.34 3i8f h ALA 55 Ca 0.33 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3i8f h ALA 55 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i8f h ALA 55 CO -0.06 -0.52 -0.36 1.57 0.00 0.00 0.00 179.25 179.88 3i8f h LYS 56 N 0.00 0.00 -0.13 0.00 5.09 -0.53 -3.27 116.57 117.73 3i8f h LYS 56 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 60.65 60.85 3i8f h LYS 56 Cb 0.96 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.28 3i8f h LYS 56 CO -0.00 0.74 0.69 0.00 -2.09 0.00 0.00 179.45 178.79 3i8f h ARG 57 N -1.00 0.00 0.00 0.07 3.08 -0.25 1.13 114.38 117.40 3i8f h ARG 57 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3i8f h ARG 57 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3i8f h ARG 57 CO -0.05 0.00 0.00 -0.11 -1.07 0.00 0.00 179.97 178.74 3i8f n LEU 58 N -2.84 0.96 0.00 3.04 7.94 -0.76 -2.84 117.00 122.50 3i8f n LEU 58 Ca 0.02 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 3i8f n LEU 58 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 3i8f n LEU 58 CO 0.10 0.00 0.22 0.00 -1.11 0.00 0.00 177.39 176.60 3i8f n ALA 59 N -1.61 1.01 -1.25 1.96 0.00 -0.41 -0.98 120.51 119.21 3i8f n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8f n ALA 59 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3i8f n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i8f n GLU 60 N -0.92 0.00 0.18 0.00 4.07 0.38 -3.93 120.64 120.41 3i8f n GLU 60 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 3i8f n GLU 60 Cb 0.02 -0.03 0.63 0.00 -0.06 0.00 0.00 31.44 32.00 3i8f n GLU 60 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8f h ARG 61 N 0.00 0.00 -0.07 5.31 3.08 -1.47 0.16 114.38 121.39 3i8f h ARG 61 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3i8f h ARG 61 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i8f h ARG 61 CO 0.00 0.00 -0.50 1.57 -1.07 0.00 0.00 179.97 179.97 3i8f h LYS 62 N 0.00 0.17 0.00 0.04 5.09 -1.23 -1.07 116.57 119.58 3i8f h LYS 62 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 60.65 60.64 3i8f h LYS 62 Cb 0.11 0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.44 3i8f h LYS 62 CO 0.00 0.64 -0.02 0.00 -2.09 0.00 0.00 179.45 177.97 3i8f h ALA 63 N 1.35 1.47 -0.27 0.07 0.00 -0.79 0.17 119.26 121.25 3i8f h ALA 63 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3i8f h ALA 63 Cb 0.94 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i8f h ALA 63 CO 0.07 0.03 -0.50 0.93 0.00 0.00 0.00 179.25 179.78 3i8f h GLU 64 N 0.00 0.76 -0.70 0.00 4.39 -1.26 0.48 114.58 118.25 3i8f h GLU 64 Ca -0.00 -0.45 0.05 0.00 0.34 0.00 0.00 59.36 59.30 3i8f h GLU 64 Cb 0.06 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3i8f h GLU 64 CO 0.00 1.08 0.46 0.00 -1.16 0.00 0.00 179.01 179.39 3i8f h ALA 65 N 0.84 1.66 0.01 3.43 0.00 -0.55 0.39 119.26 125.05 3i8f h ALA 65 Ca 0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3i8f h ALA 65 Cb 1.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3i8f h ALA 65 CO 0.11 0.24 -0.97 0.93 0.00 0.00 0.00 179.25 179.57 3i8f h GLU 66 N 0.78 0.02 -0.14 0.00 4.39 -0.82 0.16 114.58 118.97 3i8f h GLU 66 Ca 0.29 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 3i8f h GLU 66 Cb 0.16 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3i8f h GLU 66 CO -0.09 0.97 0.08 -0.09 -1.16 0.00 0.00 179.01 178.72 3i8f h ARG 67 N 0.01 0.19 -0.01 2.33 2.43 0.24 -3.05 114.38 116.53 3i8f h ARG 67 Ca -0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i8f h ARG 67 Cb 1.69 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.20 3i8f h ARG 67 CO 0.13 0.18 -0.01 1.25 -1.51 0.00 0.00 179.97 180.01 3i8f h LEU 68 N 0.14 0.03 -0.57 3.80 5.85 -0.34 -3.17 115.31 121.04 3i8f h LEU 68 Ca 0.05 -0.53 0.11 0.00 0.84 0.00 0.00 57.88 58.36 3i8f h LEU 68 Cb 0.04 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 3i8f h LEU 68 CO -0.01 0.55 -0.14 1.17 -0.34 0.00 0.00 178.44 179.67 3i8f n LYS 69 N -4.82 -0.05 0.02 1.25 0.00 0.56 0.07 118.16 115.20 3i8f n LYS 69 Ca -0.08 0.89 -0.11 0.00 0.00 0.00 0.00 58.31 59.01 3i8f n LYS 69 Cb 0.28 -1.33 -0.13 0.00 0.00 0.00 0.00 35.03 33.84 3i8f n LYS 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i8f h GLU 70 N 0.00 0.08 0.00 1.64 5.08 -1.64 -2.17 114.58 117.57 3i8f h GLU 70 Ca 0.27 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3i8f h GLU 70 Cb 0.42 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3i8f h GLU 70 CO -0.59 0.83 0.00 0.97 -1.00 0.00 0.00 179.01 179.22 3i8f h ILE 71 N 0.02 0.00 0.00 3.13 2.10 -0.33 -3.28 117.51 119.14 3i8f h ILE 71 Ca -0.20 -0.24 -0.21 0.00 1.08 0.00 0.00 64.86 65.28 3i8f h ILE 71 Cb 1.95 1.00 -0.04 0.00 -1.09 0.00 0.00 36.82 38.64 3i8f h ILE 71 CO 0.11 0.00 -1.77 0.18 -1.08 0.00 0.00 178.15 175.60 3i8f n LEU 72 N -2.42 2.46 -1.64 2.19 4.77 -0.33 -4.70 117.00 117.32 3i8f n LEU 72 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i8f n LEU 72 Cb 0.21 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3i8f n LEU 72 CO 0.20 0.61 0.00 1.21 -1.33 0.00 0.00 177.39 178.08 3i8f n GLU 73 N -3.09 0.00 0.00 3.23 2.13 -0.82 -3.58 120.64 118.52 3i8f n GLU 73 Ca -0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.57 3i8f n GLU 73 Cb 0.74 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.97 3i8f n GLU 73 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3i8f n ASN 74 N 1.61 0.00 -4.29 4.31 0.23 -1.26 -5.01 115.26 110.84 3i8f n ASN 74 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 3i8f n ASN 74 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 3i8f n ASN 74 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3i8f s LEU 75 N -1.09 2.30 0.00 -4.53 1.43 -1.23 -4.88 118.68 110.68 3i8f s LEU 75 Ca 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3i8f s LEU 75 Cb 0.00 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3i8f s LEU 75 CO 0.00 0.07 0.00 0.35 0.23 0.00 0.00 176.35 177.00 3i8f n THR 76 N 1.09 0.00 0.00 5.49 -2.24 -1.26 -4.95 114.28 112.41 3i8f n THR 76 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3i8f n THR 76 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3i8f n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8f n LEU 77 N -2.45 0.00 -1.93 3.22 -0.00 -1.26 -4.96 117.00 109.62 3i8f n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8f n LEU 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8f n LEU 77 CO 0.00 0.00 -0.02 0.41 -0.00 0.00 0.00 177.39 177.78 3i8f n THR 78 N 0.00 -0.54 -2.70 1.47 -1.04 -1.13 -4.77 114.28 105.57 3i8f n THR 78 Ca 0.00 0.13 -0.07 0.00 -2.04 0.00 0.00 64.05 62.07 3i8f n THR 78 Cb 0.00 -1.52 0.09 0.00 -1.82 0.00 0.00 70.33 67.09 3i8f n THR 78 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i8f n ILE 79 N 1.92 0.00 -1.67 12.58 5.41 -1.26 -4.94 119.36 131.39 3i8f n ILE 79 Ca 0.00 -1.31 -0.52 0.00 1.00 0.00 0.00 62.75 61.92 3i8f n ILE 79 Cb 0.00 1.21 -0.06 0.00 -0.71 0.00 0.00 39.64 40.08 3i8f n ILE 79 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3i8f n PRO 80 N 0.00 1.62 -4.17 0.38 -0.04 -1.26 -3.68 135.00 127.85 3i8f n PRO 80 Ca -0.01 0.59 -0.18 0.00 -0.04 0.00 0.00 63.50 63.86 3i8f n PRO 80 Cb 0.75 -2.33 -0.12 0.00 -0.04 0.00 0.00 33.50 31.76 3i8f n PRO 80 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i8f s VAL 81 N 2.65 1.03 0.21 0.52 1.01 -1.25 -4.67 120.40 119.91 3i8f s VAL 81 Ca 0.91 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3i8f s VAL 81 Cb -0.87 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 3i8f s VAL 81 CO 0.53 -0.23 1.42 -0.13 0.00 0.00 0.00 175.10 176.70 3i8f s ARG 82 N -1.66 4.29 0.00 2.72 0.52 -1.26 -2.50 118.95 121.06 3i8f s ARG 82 Ca -0.03 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 3i8f s ARG 82 Cb -0.10 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.22 3i8f s ARG 82 CO 0.02 -0.41 0.00 0.00 0.02 0.00 0.00 175.30 174.93 3i8f n ALA 83 N 2.76 0.00 0.00 2.13 0.00 -1.26 -3.97 120.51 120.17 3i8f n ALA 83 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i8f n ALA 83 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3i8f n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 84 N 0.00 0.52 5.60 0.00 0.00 -1.22 -4.98 105.19 105.11 3i8f n GLY 84 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3i8f n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8f n GLU 85 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -4.28 120.64 116.13 3i8f n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i8f n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i8f n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i8f n THR 86 N 0.00 0.00 -1.12 2.62 -1.04 -1.26 -4.56 114.28 108.92 3i8f n THR 86 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3i8f n THR 86 Cb 0.00 -0.32 0.10 0.00 -1.82 0.00 0.00 70.33 68.29 3i8f n THR 86 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i8f n LYS 87 N 0.00 0.15 0.00 -2.82 5.02 -1.25 -2.75 118.16 116.50 3i8f n LYS 87 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3i8f n LYS 87 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 3i8f n LYS 87 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i8f n ILE 88 N -2.94 0.00 0.04 -0.18 2.08 -0.55 -3.41 119.36 114.40 3i8f n ILE 88 Ca 0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.41 3i8f n ILE 88 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 3i8f n ILE 88 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3i8f n TYR 89 N 0.00 -2.04 -0.29 1.39 4.01 -1.25 -4.67 117.16 114.30 3i8f n TYR 89 Ca 0.00 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 3i8f n TYR 89 Cb 0.00 0.90 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 3i8f n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i8f n GLY 90 N -1.28 1.34 3.58 2.72 0.00 -1.26 -5.12 105.19 105.17 3i8f n GLY 90 Ca 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 3i8f n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8f s SER 91 N -1.00 -0.65 -0.36 1.61 0.15 -1.26 -4.74 113.70 107.45 3i8f s SER 91 Ca 0.00 0.97 -0.29 0.00 0.70 0.00 0.00 55.95 57.34 3i8f s SER 91 Cb 0.00 1.46 -0.00 0.00 -1.71 0.00 0.00 66.02 65.77 3i8f s SER 91 CO 0.00 -0.15 1.56 -0.69 1.20 0.00 0.00 173.24 175.16 3i8f s VAL 92 N 1.83 3.74 0.31 4.45 1.01 -1.26 -4.83 120.40 125.65 3i8f s VAL 92 Ca -0.07 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.76 3i8f s VAL 92 Cb -0.05 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3i8f s VAL 92 CO -0.17 -0.59 0.13 0.42 0.00 0.00 0.00 175.10 174.89 3i8f s THR 93 N 5.89 3.43 0.32 3.92 -4.23 -1.26 -2.00 115.64 121.71 3i8f s THR 93 Ca 0.68 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 59.60 3i8f s THR 93 Cb -0.18 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 70.99 3i8f s THR 93 CO 0.33 -0.26 1.60 0.00 -0.54 0.00 0.00 174.62 175.75 3i8f h ALA 94 N 1.59 1.46 0.79 3.99 0.00 -1.92 0.66 119.26 125.83 3i8f h ALA 94 Ca -0.45 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3i8f h ALA 94 Cb 1.25 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.47 3i8f h ALA 94 CO 0.61 -0.62 -0.38 0.87 0.00 0.00 0.00 179.25 179.73 3i8f h LYS 95 N 0.09 -1.03 -0.90 0.00 1.79 -1.94 -2.87 116.57 111.70 3i8f h LYS 95 Ca 0.65 0.07 0.24 0.00 -2.18 0.00 0.00 60.65 59.43 3i8f h LYS 95 Cb 1.44 0.23 -0.16 0.00 -1.58 0.00 0.00 32.23 32.16 3i8f h LYS 95 CO -0.79 -0.67 0.12 -0.44 -1.08 0.00 0.00 179.45 176.59 3i8f h ASP 96 N -1.20 -0.25 0.05 0.86 5.19 -0.18 1.10 116.42 121.99 3i8f h ASP 96 Ca -0.11 0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3i8f h ASP 96 Cb 0.83 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 3i8f h ASP 96 CO 0.18 -0.25 -0.06 0.40 -3.12 0.00 0.00 179.24 176.38 3i8f h ILE 97 N 0.10 0.85 0.71 0.35 5.03 -0.80 -0.52 117.51 123.23 3i8f h ILE 97 Ca 0.56 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 65.27 3i8f h ILE 97 Cb 1.13 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 35.76 3i8f h ILE 97 CO -0.77 0.00 -0.45 0.00 -0.68 0.00 0.00 178.15 176.25 3i8f h ALA 98 N 0.81 -1.15 -0.99 1.87 0.00 0.16 -1.61 119.26 118.36 3i8f h ALA 98 Ca 0.01 -0.23 0.35 0.00 0.00 0.00 0.00 54.91 55.04 3i8f h ALA 98 Cb 0.14 0.57 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 3i8f h ALA 98 CO -0.03 -1.16 0.33 1.49 0.00 0.00 0.00 179.25 179.87 3i8f h GLU 99 N -1.10 0.03 0.00 0.00 4.57 0.11 -3.17 114.58 115.01 3i8f h GLU 99 Ca -0.09 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3i8f h GLU 99 Cb 0.89 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3i8f h GLU 99 CO 0.08 0.02 0.00 0.00 -1.18 0.00 0.00 179.01 177.93 3i8f n ALA 100 N -2.62 0.00 -1.51 2.92 0.00 -0.21 -3.81 120.51 115.28 3i8f n ALA 100 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 3i8f n ALA 100 Cb 1.04 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.32 3i8f n ALA 100 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i8f n LEU 101 N 0.00 -0.27 0.00 0.00 -0.00 -0.99 0.43 117.00 116.17 3i8f n LEU 101 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.74 3i8f n LEU 101 Cb 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 42.59 3i8f n LEU 101 CO 0.00 -1.19 0.00 -1.54 -0.00 0.00 0.00 177.39 174.66 3i8f n SER 102 N 9.13 0.00 0.24 1.45 3.41 -1.25 -4.28 113.62 122.32 3i8f n SER 102 Ca 0.64 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3i8f n SER 102 Cb 0.13 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.56 3i8f n SER 102 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i8f h ARG 103 N 0.00 0.00 0.00 4.33 9.65 -0.13 -2.51 114.38 125.72 3i8f h ARG 103 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3i8f h ARG 103 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3i8f h ARG 103 CO 0.00 0.13 -1.19 0.94 2.80 0.00 0.00 179.97 182.65 3i8f n GLN 104 N -3.24 0.53 0.05 0.20 7.27 -1.18 -4.91 117.38 116.10 3i8f n GLN 104 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3i8f n GLN 104 Cb 0.42 -1.10 0.00 0.00 2.41 0.00 0.00 30.24 31.97 3i8f n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i8f n HIS 105 N -1.70 -0.58 0.00 3.69 8.25 -1.23 -5.02 115.22 118.63 3i8f n HIS 105 Ca -0.01 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3i8f n HIS 105 Cb 0.17 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3i8f n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8f n GLY 106 N 2.67 3.86 3.40 -1.41 0.00 -0.95 -4.75 105.19 108.01 3i8f n GLY 106 Ca 0.00 -0.83 -0.47 0.00 0.00 0.00 0.00 46.02 44.72 3i8f n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8f n VAL 107 N 0.00 1.78 -3.79 1.61 0.31 -1.26 -4.53 118.33 112.45 3i8f n VAL 107 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 3i8f n VAL 107 Cb 0.00 -0.08 -0.11 0.00 -0.91 0.00 0.00 33.84 32.74 3i8f n VAL 107 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i8f s THR 108 N -1.12 3.31 0.00 2.52 2.01 -1.26 -3.80 115.64 117.30 3i8f s THR 108 Ca 0.63 -2.72 0.00 0.00 0.31 0.00 0.00 61.69 59.91 3i8f s THR 108 Cb -0.86 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 68.42 3i8f s THR 108 CO 0.57 -0.79 0.00 2.30 -0.69 0.00 0.00 174.62 176.01 3i8f n ILE 109 N 3.79 0.00 -3.68 1.82 -0.00 -1.26 -5.08 119.36 114.95 3i8f n ILE 109 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.50 3i8f n ILE 109 Cb 0.38 -2.00 -0.14 0.00 -0.00 0.00 0.00 39.64 37.88 3i8f n ILE 109 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 3i8f s ASP 110 N -1.00 3.82 0.99 7.28 -4.77 -1.26 -5.08 116.67 116.65 3i8f s ASP 110 Ca 0.00 -1.76 -0.16 0.00 -3.30 0.00 0.00 52.55 47.33 3i8f s ASP 110 Cb 0.00 -0.77 -0.05 0.00 -1.09 0.00 0.00 42.92 41.01 3i8f s ASP 110 CO 0.00 -0.39 -0.26 -2.65 0.70 0.00 0.00 175.17 172.57 3i8f n PRO 111 N 4.67 -0.29 -4.11 2.11 -0.02 -1.26 -3.25 135.00 132.85 3i8f n PRO 111 Ca -0.00 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 3i8f n PRO 111 Cb 0.41 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 3i8f n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i8f n LYS 112 N 0.19 -0.58 -0.28 -0.52 5.02 -1.26 -4.73 118.16 116.00 3i8f n LYS 112 Ca 0.02 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3i8f n LYS 112 Cb 0.57 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 3i8f n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i8f n ARG 113 N -4.88 0.00 0.00 1.97 5.12 -1.20 -4.93 116.66 112.74 3i8f n ARG 113 Ca -0.17 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 55.86 3i8f n ARG 113 Cb 0.60 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.92 3i8f n ARG 113 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3i8f n LEU 114 N 0.00 1.24 -1.81 0.55 4.77 -1.26 -2.42 117.00 118.07 3i8f n LEU 114 Ca 0.00 -0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 55.39 3i8f n LEU 114 Cb 0.46 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3i8f n LEU 114 CO 0.00 0.26 0.06 0.00 -1.33 0.00 0.00 177.39 176.38 3i8f n ALA 115 N -0.97 -0.56 -3.94 -1.18 0.00 -1.25 -4.11 120.51 108.50 3i8f n ALA 115 Ca 0.07 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 3i8f n ALA 115 Cb 0.37 -2.57 -0.15 0.00 0.00 0.00 0.00 19.45 17.10 3i8f n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i8f s LEU 116 N -3.82 4.05 0.00 0.00 2.96 -1.26 -4.87 118.68 115.74 3i8f s LEU 116 Ca 0.22 -2.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.08 3i8f s LEU 116 Cb -0.10 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.18 3i8f s LEU 116 CO 0.27 -0.39 0.00 -0.62 -1.32 0.00 0.00 176.35 174.29 3i8f n GLU 117 N 4.38 0.00 -1.73 1.98 4.71 -1.26 -4.80 120.64 123.91 3i8f n GLU 117 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.79 3i8f n GLU 117 Cb 0.42 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.89 3i8f n GLU 117 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3i8f n LYS 118 N 0.00 1.71 0.00 3.49 2.85 -1.26 -4.94 118.16 120.01 3i8f n LYS 118 Ca 0.00 0.63 0.00 0.00 -1.05 0.00 0.00 58.31 57.89 3i8f n LYS 118 Cb 0.00 -2.54 0.00 0.00 -0.65 0.00 0.00 35.03 31.84 3i8f n LYS 118 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3i8f n PRO 119 N -0.86 -0.19 0.00 -1.58 -0.02 -1.26 -5.00 135.00 126.09 3i8f n PRO 119 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i8f n PRO 119 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3i8f n PRO 119 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i8f n ILE 120 N -2.38 0.00 0.00 4.25 2.08 -0.85 -4.97 119.36 117.49 3i8f n ILE 120 Ca 0.00 0.46 0.00 0.00 0.56 0.00 0.00 62.75 63.77 3i8f n ILE 120 Cb 0.00 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 3i8f n ILE 120 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3i8f n LYS 121 N -2.04 0.00 -4.42 0.38 4.76 -1.26 -4.98 118.16 110.60 3i8f n LYS 121 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3i8f n LYS 121 Cb 0.00 -1.88 -0.16 0.00 -1.84 0.00 0.00 35.03 31.15 3i8f n LYS 121 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i8f s GLU 122 N 0.00 1.26 0.69 1.97 8.01 -1.26 -1.48 118.70 127.89 3i8f s GLU 122 Ca 0.00 -0.30 -0.17 0.00 0.01 0.00 0.00 54.97 54.52 3i8f s GLU 122 Cb 0.00 -1.11 0.01 0.00 -4.31 0.00 0.00 34.13 28.72 3i8f s GLU 122 CO 0.00 0.02 1.26 -0.51 0.01 0.00 0.00 175.26 176.03 3i8f s LEU 123 N 0.62 3.45 0.00 1.80 1.43 -1.11 -4.93 118.68 119.94 3i8f s LEU 123 Ca -0.11 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 3i8f s LEU 123 Cb -0.14 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.48 3i8f s LEU 123 CO 0.02 -2.15 0.00 0.61 0.23 0.00 0.00 176.35 175.06 3i8f n GLY 124 N 0.71 2.36 3.39 -3.19 0.00 -1.26 -5.01 105.19 102.19 3i8f n GLY 124 Ca 0.15 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3i8f n GLY 124 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8f s GLU 125 N -1.95 2.86 0.33 1.61 2.56 -1.26 -3.31 118.70 119.54 3i8f s GLU 125 Ca 0.00 -1.06 0.09 0.00 0.00 0.00 0.00 54.97 54.00 3i8f s GLU 125 Cb 0.00 -3.78 -0.05 0.00 2.00 0.00 0.00 34.13 32.30 3i8f s GLU 125 CO 0.00 -0.71 -0.01 0.71 -0.56 0.00 0.00 175.26 174.70 3i8f s TYR 126 N 1.58 2.54 -0.40 5.30 1.51 0.17 -4.96 117.35 123.09 3i8f s TYR 126 Ca 0.03 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 3i8f s TYR 126 Cb -0.19 -1.44 0.22 0.00 -0.11 0.00 0.00 41.96 40.45 3i8f s TYR 126 CO 0.07 0.50 0.47 0.28 -1.11 0.00 0.00 175.55 175.77 3i8f n VAL 127 N -0.92 -0.80 -3.08 0.71 0.31 -1.26 -0.68 118.33 112.60 3i8f n VAL 127 Ca -0.04 -3.85 -0.40 0.00 -0.01 0.00 0.00 64.34 60.03 3i8f n VAL 127 Cb 0.62 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.63 3i8f n VAL 127 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i8f s LEU 128 N -0.82 4.12 0.37 7.52 1.02 -1.00 -4.67 118.68 125.22 3i8f s LEU 128 Ca 0.34 0.84 -0.26 0.00 0.02 0.00 0.00 54.13 55.07 3i8f s LEU 128 Cb 0.13 -2.93 -0.09 0.00 0.02 0.00 0.00 46.19 43.32 3i8f s LEU 128 CO -0.14 -0.33 1.16 0.42 0.02 0.00 0.00 176.35 177.49 3i8f s THR 129 N 2.15 3.21 -0.03 5.49 -4.23 -1.26 -3.05 115.64 117.92 3i8f s THR 129 Ca 0.29 1.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.92 3i8f s THR 129 Cb -0.16 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 3i8f s THR 129 CO 0.10 0.15 -0.17 -0.47 -0.54 0.00 0.00 174.62 173.69 3i8f s TYR 130 N -1.35 1.62 0.00 3.99 5.04 -1.09 -3.89 117.35 121.68 3i8f s TYR 130 Ca 0.53 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 3i8f s TYR 130 Cb -0.31 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 40.92 3i8f s TYR 130 CO 0.40 -0.12 0.00 1.63 -1.34 0.00 0.00 175.55 176.12 3i8f n LYS 131 N 3.00 0.74 0.00 4.97 5.02 -1.01 -4.06 118.16 126.81 3i8f n LYS 131 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3i8f n LYS 131 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3i8f n LYS 131 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i8f n PRO 132 N -0.18 2.49 -0.30 1.97 -0.02 -1.26 -4.87 135.00 132.83 3i8f n PRO 132 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3i8f n PRO 132 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 33.78 3i8f n PRO 132 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i8f h HIS 133 N 0.00 0.35 -3.27 6.00 -0.00 -2.01 -3.39 115.15 112.84 3i8f h HIS 133 Ca 0.00 0.05 -0.57 0.00 -0.00 0.00 0.00 60.37 59.85 3i8f h HIS 133 Cb 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.34 3i8f h HIS 133 CO 0.00 -0.22 0.49 -1.25 -0.00 0.00 0.00 177.93 176.95 3i8f s PRO 134 N -5.93 4.37 1.06 5.26 0.04 -1.26 -5.03 135.00 133.52 3i8f s PRO 134 Ca -0.12 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 3i8f s PRO 134 Cb 0.26 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 31.28 3i8f s PRO 134 CO 0.77 -0.32 -0.20 0.39 0.04 0.00 0.00 177.00 177.68 3i8f n GLU 135 N 5.10 -1.04 0.00 4.56 1.02 -1.26 -4.79 120.64 124.24 3i8f n GLU 135 Ca 0.07 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3i8f n GLU 135 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3i8f n GLU 135 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3i8f n VAL 136 N -4.03 0.00 -2.43 2.62 3.14 -1.26 -4.97 118.33 111.40 3i8f n VAL 136 Ca 0.01 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.98 3i8f n VAL 136 Cb 0.62 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.37 3i8f n VAL 136 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3i8f s PRO 137 N 0.00 4.48 0.07 1.45 0.04 -1.26 -2.66 135.00 137.12 3i8f s PRO 137 Ca 0.00 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.86 3i8f s PRO 137 Cb 0.00 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3i8f s PRO 137 CO 0.00 -0.15 0.03 -1.50 0.04 0.00 0.00 177.00 175.42 3i8f s ILE 138 N 0.52 4.27 0.76 0.56 2.07 -1.17 -4.57 121.20 123.63 3i8f s ILE 138 Ca 0.55 -0.84 -0.06 0.00 -1.41 0.00 0.00 60.65 58.89 3i8f s ILE 138 Cb -0.30 -3.03 0.11 0.00 0.13 0.00 0.00 42.46 39.37 3i8f s ILE 138 CO 0.32 0.15 1.06 -1.10 -1.91 0.00 0.00 174.94 173.46 3i8f s GLN 139 N -2.25 1.68 0.00 3.50 -0.21 -1.26 -2.38 119.66 118.73 3i8f s GLN 139 Ca 0.27 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3i8f s GLN 139 Cb -0.12 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.71 3i8f s GLN 139 CO 0.19 -1.54 0.00 -0.11 -2.12 0.00 0.00 175.29 171.71 3i8f n LEU 140 N -3.04 0.00 -3.66 2.90 7.94 0.14 -4.57 117.00 116.72 3i8f n LEU 140 Ca 0.12 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.91 3i8f n LEU 140 Cb 0.60 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.50 3i8f n LEU 140 CO 0.47 0.00 0.14 -1.59 -1.11 0.00 0.00 177.39 175.30 3i8f s LYS 141 N 0.00 0.99 0.00 1.96 -2.85 -1.25 0.43 119.74 119.03 3i8f s LYS 141 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 3i8f s LYS 141 Cb 0.00 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3i8f s LYS 141 CO 0.00 -0.37 0.00 1.55 0.10 0.00 0.00 175.35 176.63 3i8f n VAL 142 N 0.09 0.00 0.00 1.79 3.14 -1.21 -2.84 118.33 119.30 3i8f n VAL 142 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3i8f n VAL 142 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 3i8f n VAL 142 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3i8f n SER 143 N 2.26 -0.16 0.00 6.55 7.64 -1.24 -4.09 113.62 124.57 3i8f n SER 143 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i8f n SER 143 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3i8f n SER 143 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i8f n VAL 144 N 2.66 0.00 -2.00 0.44 0.31 -1.04 -4.73 118.33 113.97 3i8f n VAL 144 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8f n VAL 144 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i8f n VAL 144 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3i8f n VAL 145 N 0.00 -9.64 0.00 2.52 0.24 -1.22 -4.51 118.33 105.72 3i8f n VAL 145 Ca 0.00 2.42 0.00 0.00 -2.04 0.00 0.00 64.34 64.72 3i8f n VAL 145 Cb 0.00 -4.20 0.00 0.00 -1.47 0.00 0.00 33.84 28.17 3i8f n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69