#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n LEU 3 N 0.00 0.00 0.00 2.45 4.77 -1.26 -3.93 117.00 119.03 3i8i n LEU 3 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3i8i n LEU 3 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3i8i n LEU 3 CO 0.00 -0.23 0.00 -0.67 -1.33 0.00 0.00 177.39 175.16 3i8i n ASP 4 N -1.22 0.00 0.00 -1.43 -0.08 -1.26 -5.03 116.55 107.53 3i8i n ASP 4 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3i8i n ASP 4 Cb 0.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.71 3i8i n ASP 4 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3i8i n VAL 5 N 0.00 -0.79 0.00 5.18 0.31 -1.25 -4.70 118.33 117.07 3i8i n VAL 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 5 Cb 0.00 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3i8i n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8i n ALA 6 N -0.23 -0.13 -0.37 3.52 0.00 -1.26 -2.76 120.51 119.28 3i8i n ALA 6 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 3i8i n ALA 6 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 3i8i n ALA 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i8i h LEU 7 N 0.00 0.07 0.31 0.00 6.46 -1.94 0.27 115.31 120.48 3i8i h LEU 7 Ca 0.00 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 3i8i h LEU 7 Cb 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3i8i h LEU 7 CO 0.00 0.00 -0.15 0.50 -0.62 0.00 0.00 178.44 178.17 3i8i h LYS 8 N 0.06 -0.40 0.11 1.25 3.64 -1.86 -1.38 116.57 117.99 3i8i h LYS 8 Ca 0.62 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 60.05 3i8i h LYS 8 Cb 2.35 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 34.22 3i8i h LYS 8 CO -0.07 -0.19 -0.33 -0.09 -2.27 0.00 0.00 179.45 176.50 3i8i h ARG 9 N -0.52 -0.53 -0.33 1.90 2.43 -0.37 0.28 114.38 117.24 3i8i h ARG 9 Ca -0.04 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3i8i h ARG 9 Cb 0.39 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3i8i h ARG 9 CO 0.07 -0.35 0.83 -0.22 -1.51 0.00 0.00 179.97 178.78 3i8i h LYS 10 N -0.55 0.00 0.15 0.20 3.11 -0.77 0.11 116.57 118.82 3i8i h LYS 10 Ca 0.03 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 3i8i h LYS 10 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 3i8i h LYS 10 CO -0.20 0.00 -0.07 -0.92 -2.81 0.00 0.00 179.45 175.45 3i8i h TYR 11 N 0.00 -0.19 0.34 1.91 3.20 0.71 -2.50 116.97 120.44 3i8i h TYR 11 Ca 0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3i8i h TYR 11 Cb 1.81 0.06 0.00 0.00 1.54 0.00 0.00 36.73 40.15 3i8i h TYR 11 CO 0.00 -0.12 -0.16 1.88 -1.64 0.00 0.00 178.16 178.12 3i8i h TYR 12 N -1.02 -0.42 -2.00 -3.82 0.05 -0.62 0.43 116.97 109.57 3i8i h TYR 12 Ca -0.02 -0.01 -0.77 0.00 0.05 0.00 0.00 58.73 57.98 3i8i h TYR 12 Cb 0.15 0.14 -0.19 0.00 1.01 0.00 0.00 36.73 37.84 3i8i h TYR 12 CO 0.00 -0.15 1.54 -0.85 -1.05 0.00 0.00 178.16 177.65 3i8i n GLU 13 N -5.21 3.73 0.00 4.88 0.28 -0.37 -4.07 120.64 119.89 3i8i n GLU 13 Ca -0.10 -3.86 0.00 0.00 -0.16 0.00 0.00 57.16 53.04 3i8i n GLU 13 Cb 0.25 -2.84 0.00 0.00 1.43 0.00 0.00 31.44 30.28 3i8i n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3i8i n GLU 14 N 3.67 0.00 -0.15 3.44 2.13 -1.25 -4.67 120.64 123.81 3i8i n GLU 14 Ca 0.35 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.15 3i8i n GLU 14 Cb 0.37 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.13 3i8i n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i8i h VAL 15 N 0.00 0.61 0.00 6.31 2.07 -1.20 -2.68 116.25 121.36 3i8i h VAL 15 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i8i h VAL 15 Cb 0.00 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3i8i h VAL 15 CO 0.00 0.02 0.00 -1.14 0.02 0.00 0.00 177.57 176.47 3i8i n ARG 16 N -5.24 0.00 -0.22 1.57 3.00 0.15 -2.43 116.66 113.48 3i8i n ARG 16 Ca 0.05 0.66 0.02 0.00 -0.00 0.00 0.00 57.85 58.58 3i8i n ARG 16 Cb 0.26 -1.35 0.11 0.00 0.00 0.00 0.00 32.46 31.48 3i8i n ARG 16 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3i8i h PRO 17 N 0.00 0.10 -0.97 -0.14 0.13 -1.73 -0.53 132.00 128.87 3i8i h PRO 17 Ca 0.00 -0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.38 3i8i h PRO 17 Cb 0.00 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 30.97 3i8i h PRO 17 CO 0.00 0.07 0.51 1.49 -0.23 0.00 0.00 178.00 179.84 3i8i h GLU 18 N 0.11 0.43 -0.20 0.86 4.57 -1.32 0.78 114.58 119.81 3i8i h GLU 18 Ca 0.35 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.44 3i8i h GLU 18 Cb 0.58 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3i8i h GLU 18 CO -0.58 0.28 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.33 3i8i h LEU 19 N 0.44 0.46 -1.20 1.64 3.38 -0.77 0.73 115.31 120.00 3i8i h LEU 19 Ca 0.64 -0.44 0.15 0.00 0.09 0.00 0.00 57.88 58.32 3i8i h LEU 19 Cb 1.29 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 3i8i h LEU 19 CO -0.54 0.80 0.60 0.40 0.09 0.00 0.00 178.44 179.79 3i8i h ILE 20 N 0.13 0.81 0.22 1.22 1.08 0.86 0.55 117.51 122.38 3i8i h ILE 20 Ca 0.04 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3i8i h ILE 20 Cb 0.65 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3i8i h ILE 20 CO 0.04 0.13 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.44 3i8i h ARG 21 N 0.74 -0.28 -0.77 2.37 2.43 0.62 0.28 114.38 119.77 3i8i h ARG 21 Ca 0.48 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.85 3i8i h ARG 21 Cb 0.75 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.25 3i8i h ARG 21 CO -0.25 -0.19 0.16 0.00 -1.51 0.00 0.00 179.97 178.18 3i8i h ARG 22 N -0.69 0.22 0.00 0.20 2.47 0.92 -2.98 114.38 114.51 3i8i h ARG 22 Ca -0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3i8i h ARG 22 Cb 0.23 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3i8i h ARG 22 CO 0.05 0.14 -0.67 1.19 0.56 0.00 0.00 179.97 181.25 3i8i n PHE 23 N -5.21 0.00 -2.85 3.04 3.01 0.19 -5.06 117.46 110.58 3i8i n PHE 23 Ca 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.60 3i8i n PHE 23 Cb 0.50 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.94 3i8i n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i8i n GLY 24 N 1.33 -2.90 3.47 1.37 0.00 0.98 -4.99 105.19 104.46 3i8i n GLY 24 Ca 0.02 0.72 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 3i8i n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8i s TYR 25 N -0.86 2.83 -2.26 1.61 2.02 -1.24 -5.00 117.35 114.45 3i8i s TYR 25 Ca -0.09 -0.27 0.26 0.00 -0.37 0.00 0.00 57.07 56.59 3i8i s TYR 25 Cb 0.01 -1.75 1.20 0.00 -0.40 0.00 0.00 41.96 41.02 3i8i s TYR 25 CO 0.48 0.08 1.81 0.00 -1.57 0.00 0.00 175.55 176.35 3i8i n GLN 26 N 2.78 1.42 -3.72 -0.62 -0.00 -1.26 -4.81 117.38 111.18 3i8i n GLN 26 Ca -0.18 -0.62 -0.12 0.00 -0.00 0.00 0.00 57.00 56.08 3i8i n GLN 26 Cb 0.53 -1.44 -0.13 0.00 -0.00 0.00 0.00 30.24 29.20 3i8i n GLN 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3i8i s ASN 27 N -1.84 -0.24 0.62 2.61 3.84 -1.26 -5.03 114.94 113.63 3i8i s ASN 27 Ca 0.38 0.58 0.13 0.00 0.21 0.00 0.00 52.86 54.15 3i8i s ASN 27 Cb 0.19 0.48 0.70 0.00 -0.55 0.00 0.00 41.25 42.07 3i8i s ASN 27 CO 0.31 -0.18 1.37 -0.37 -2.79 0.00 0.00 177.10 175.44 3i8i h VAL 28 N 5.87 0.00 0.05 -5.21 -1.51 -1.97 -1.79 116.25 111.69 3i8i h VAL 28 Ca -0.38 0.00 -0.31 0.00 -1.23 0.00 0.00 66.70 64.78 3i8i h VAL 28 Cb 1.16 0.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.57 3i8i h VAL 28 CO 0.34 0.00 -1.70 0.79 -1.23 0.00 0.00 177.57 175.77 3i8i n TRP 29 N -2.58 1.01 -0.42 5.19 7.02 -1.26 -4.11 117.44 122.30 3i8i n TRP 29 Ca -0.01 0.32 0.34 0.00 -1.02 0.00 0.00 57.50 57.14 3i8i n TRP 29 Cb 0.69 -1.12 0.62 0.00 -2.42 0.00 0.00 31.31 29.09 3i8i n TRP 29 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3i8i h GLU 30 N -0.52 0.13 -6.24 -0.99 5.08 -1.75 -3.37 114.58 106.92 3i8i h GLU 30 Ca -0.41 -0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.39 3i8i h GLU 30 Cb 1.65 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3i8i h GLU 30 CO -0.10 0.08 1.26 0.54 -1.00 0.00 0.00 179.01 179.80 3i8i s VAL 31 N -5.35 3.19 -0.05 3.13 0.11 -1.23 -4.84 120.40 115.35 3i8i s VAL 31 Ca -0.08 0.22 -0.40 0.00 -2.93 0.00 0.00 61.98 58.79 3i8i s VAL 31 Cb 0.29 -3.18 -0.19 0.00 -1.53 0.00 0.00 36.38 31.78 3i8i s VAL 31 CO 0.81 -0.06 1.20 -2.65 -3.33 0.00 0.00 175.10 171.07 3i8i n PRO 32 N 7.81 0.24 -3.86 1.54 -0.02 -1.26 -4.98 135.00 134.48 3i8i n PRO 32 Ca 0.22 0.09 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 3i8i n PRO 32 Cb 0.43 -1.62 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 3i8i n PRO 32 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i8i s ARG 33 N 0.52 2.16 0.05 -0.52 3.00 -1.26 -4.95 118.95 117.96 3i8i s ARG 33 Ca 0.92 -1.56 -0.30 0.00 0.00 0.00 0.00 55.73 54.78 3i8i s ARG 33 Cb -1.23 -3.37 -0.09 0.00 0.00 0.00 0.00 34.95 30.26 3i8i s ARG 33 CO 0.58 -0.85 1.88 -1.17 0.00 0.00 0.00 175.30 175.74 3i8i s LEU 34 N 1.18 4.41 -0.09 2.53 1.98 -1.26 -2.90 118.68 124.52 3i8i s LEU 34 Ca 0.02 2.63 -0.04 0.00 -2.89 0.00 0.00 54.13 53.85 3i8i s LEU 34 Cb -0.21 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.14 3i8i s LEU 34 CO -0.03 -1.02 0.21 -1.83 -1.89 0.00 0.00 176.35 171.79 3i8i s GLU 35 N 3.87 0.17 0.12 1.98 4.04 -0.70 -4.98 118.70 123.20 3i8i s GLU 35 Ca 0.84 0.46 0.00 0.00 0.04 0.00 0.00 54.97 56.31 3i8i s GLU 35 Cb -0.42 -0.13 0.00 0.00 0.02 0.00 0.00 34.13 33.59 3i8i s GLU 35 CO 0.38 -0.16 0.00 1.17 -1.84 0.00 0.00 175.26 174.81 3i8i n LYS 36 N 4.17 -2.76 -3.74 -4.83 4.81 -1.26 -4.24 118.16 110.31 3i8i n LYS 36 Ca -0.25 2.17 -0.19 0.00 -0.87 0.00 0.00 58.31 59.17 3i8i n LYS 36 Cb 0.53 -2.12 -0.17 0.00 0.02 0.00 0.00 35.03 33.29 3i8i n LYS 36 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3i8i s VAL 37 N -0.47 -0.01 -0.23 3.15 1.01 0.02 -1.64 120.40 122.22 3i8i s VAL 37 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3i8i s VAL 37 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 3i8i s VAL 37 CO 0.00 0.16 0.05 -0.69 0.00 0.00 0.00 175.10 174.62 3i8i s VAL 38 N 1.75 4.27 -0.28 2.92 1.01 -0.54 -2.67 120.40 126.86 3i8i s VAL 38 Ca -0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 3i8i s VAL 38 Cb -0.12 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3i8i s VAL 38 CO -0.03 0.38 0.61 -0.63 0.00 0.00 0.00 175.10 175.43 3i8i s ILE 39 N 1.30 4.97 0.09 2.22 1.01 -0.61 -1.64 121.20 128.55 3i8i s ILE 39 Ca 0.05 0.93 0.10 0.00 0.00 0.00 0.00 60.65 61.73 3i8i s ILE 39 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3i8i s ILE 39 CO 0.03 -0.06 -0.26 0.21 0.00 0.00 0.00 174.94 174.85 3i8i s ASN 40 N 1.58 3.20 -0.22 3.58 3.84 -0.04 -1.92 114.94 124.97 3i8i s ASN 40 Ca 0.25 -0.68 -0.02 0.00 0.21 0.00 0.00 52.86 52.61 3i8i s ASN 40 Cb -0.15 -0.24 0.07 0.00 -0.55 0.00 0.00 41.25 40.37 3i8i s ASN 40 CO 0.10 0.20 0.04 -1.10 -2.79 0.00 0.00 177.10 173.56 3i8i s GLN 41 N -1.72 0.73 -0.67 0.43 -0.21 0.44 -0.68 119.66 117.98 3i8i s GLN 41 Ca 0.13 -0.56 -0.27 0.00 0.02 0.00 0.00 55.36 54.68 3i8i s GLN 41 Cb -0.10 -2.11 0.04 0.00 1.00 0.00 0.00 33.01 31.83 3i8i s GLN 41 CO 0.04 -0.70 1.19 0.20 -2.12 0.00 0.00 175.29 173.91 3i8i s GLY 42 N 1.79 1.05 -0.88 3.09 0.00 -1.26 -1.15 107.32 109.96 3i8i s GLY 42 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.48 3i8i s GLY 42 CO -0.11 2.50 1.36 1.04 0.00 0.00 0.00 173.10 177.89 3i8i n LEU 43 N 8.78 5.89 0.32 0.66 4.32 -1.26 -4.73 117.00 130.97 3i8i n LEU 43 Ca 0.04 -5.42 0.20 0.00 -0.02 0.00 0.00 56.01 50.81 3i8i n LEU 43 Cb 0.48 -0.98 1.08 0.00 -1.62 0.00 0.00 43.42 42.39 3i8i n LEU 43 CO 0.70 2.03 1.14 1.23 -1.22 0.00 0.00 177.39 181.27 3i8i h GLY 44 N 4.24 0.00 1.74 -0.72 0.00 -1.91 0.47 103.07 106.89 3i8i h GLY 44 Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.64 3i8i h GLY 44 CO 1.08 0.00 0.13 0.83 0.00 0.00 0.00 176.54 178.58 3i8i h GLU 45 N 0.00 0.00 -0.76 4.80 4.39 -1.97 0.16 114.58 121.20 3i8i h GLU 45 Ca -0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 3i8i h GLU 45 Cb 0.10 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.50 3i8i h GLU 45 CO 0.00 0.00 0.34 0.00 -1.16 0.00 0.00 179.01 178.19 3i8i n ALA 46 N -2.06 5.23 0.82 3.43 0.00 0.16 -4.65 120.51 123.45 3i8i n ALA 46 Ca -0.02 -3.12 0.04 0.00 0.00 0.00 0.00 53.44 50.34 3i8i n ALA 46 Cb 0.19 -1.18 0.26 0.00 0.00 0.00 0.00 19.45 18.73 3i8i n ALA 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 47 N -1.09 0.41 -0.80 0.00 4.81 0.55 -3.27 118.16 118.78 3i8i n LYS 47 Ca 0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.91 3i8i n LYS 47 Cb 1.27 -1.34 -0.03 0.00 0.02 0.00 0.00 35.03 34.96 3i8i n LYS 47 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i8i n GLU 48 N -0.84 0.03 -3.25 1.64 4.07 -1.26 -4.95 120.64 116.09 3i8i n GLU 48 Ca 0.07 -0.49 -0.04 0.00 -0.06 0.00 0.00 57.16 56.64 3i8i n GLU 48 Cb 0.03 0.49 -0.04 0.00 -0.06 0.00 0.00 31.44 31.86 3i8i n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3i8i s ASP 49 N -0.49 -0.43 0.17 4.31 1.01 -1.20 -4.98 116.67 115.07 3i8i s ASP 49 Ca 0.00 -0.40 -0.11 0.00 0.71 0.00 0.00 52.55 52.75 3i8i s ASP 49 Cb 0.01 1.46 0.07 0.00 1.01 0.00 0.00 42.92 45.47 3i8i s ASP 49 CO -0.00 -0.30 1.69 0.00 0.21 0.00 0.00 175.17 176.77 3i8i h ALA 50 N 7.82 0.79 -0.56 5.23 0.00 -1.96 -0.75 119.26 129.84 3i8i h ALA 50 Ca -0.03 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3i8i h ALA 50 Cb 1.14 -0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 3i8i h ALA 50 CO 0.20 0.49 -0.22 0.00 0.00 0.00 0.00 179.25 179.72 3i8i h ARG 51 N 0.87 -0.08 -0.34 0.00 3.08 -1.98 0.87 114.38 116.80 3i8i h ARG 51 Ca 0.19 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3i8i h ARG 51 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3i8i h ARG 51 CO -0.00 -0.05 0.20 0.82 -1.07 0.00 0.00 179.97 179.87 3i8i h ILE 52 N -0.08 1.11 0.00 2.04 1.08 -1.84 -2.78 117.51 117.04 3i8i h ILE 52 Ca 0.26 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3i8i h ILE 52 Cb 0.48 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3i8i h ILE 52 CO -0.62 0.11 0.00 -0.11 -0.69 0.00 0.00 178.15 176.85 3i8i n LEU 53 N -4.82 0.19 -0.38 1.44 0.00 0.64 -3.18 117.00 110.89 3i8i n LEU 53 Ca -0.01 0.75 0.38 0.00 0.00 0.00 0.00 56.01 57.13 3i8i n LEU 53 Cb 0.05 -0.39 0.70 0.00 0.00 0.00 0.00 43.42 43.79 3i8i n LEU 53 CO 0.35 -0.39 1.35 1.05 0.00 0.00 0.00 177.39 179.75 3i8i h GLU 54 N 0.00 0.00 -0.37 1.96 4.11 0.45 0.84 114.58 121.57 3i8i h GLU 54 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3i8i h GLU 54 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i8i h GLU 54 CO 0.00 0.00 0.14 -0.22 0.07 0.00 0.00 179.01 179.00 3i8i h LYS 55 N 0.00 0.56 0.00 1.06 1.63 -1.50 -2.33 116.57 115.99 3i8i h LYS 55 Ca 0.64 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 3i8i h LYS 55 Cb 2.81 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 34.36 3i8i h LYS 55 CO -0.01 0.55 -0.51 0.00 -3.45 0.00 0.00 179.45 176.03 3i8i h ALA 56 N 0.98 0.72 0.00 5.00 0.00 0.57 -2.87 119.26 123.67 3i8i h ALA 56 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i8i h ALA 56 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i8i h ALA 56 CO -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.21 3i8i h ALA 57 N 2.14 1.00 0.00 0.00 0.00 -0.38 -0.86 119.26 121.16 3i8i h ALA 57 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 3i8i h ALA 57 Cb 0.93 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3i8i h ALA 57 CO 0.00 0.04 -2.31 0.00 0.00 0.00 0.00 179.25 176.98 3i8i n GLN 58 N -3.12 0.68 -0.34 0.00 -0.00 -0.90 -3.74 117.38 109.96 3i8i n GLN 58 Ca 0.01 0.04 0.03 0.00 -0.00 0.00 0.00 57.00 57.08 3i8i n GLN 58 Cb 0.38 -1.56 0.17 0.00 -0.00 0.00 0.00 30.24 29.24 3i8i n GLN 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3i8i h GLU 59 N 0.00 1.00 0.40 2.61 4.81 -1.26 -0.70 114.58 121.45 3i8i h GLU 59 Ca -0.52 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 3i8i h GLU 59 Cb 2.20 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.35 3i8i h GLU 59 CO 0.03 0.66 -0.19 1.25 -0.73 0.00 0.00 179.01 180.03 3i8i h LEU 60 N 1.04 -0.45 -1.55 1.64 6.46 -1.32 -2.18 115.31 118.95 3i8i h LEU 60 Ca 0.42 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 3i8i h LEU 60 Cb 0.23 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 3i8i h LEU 60 CO -0.19 -0.19 0.31 0.00 -0.62 0.00 0.00 178.44 177.74 3i8i h ALA 61 N -0.18 1.27 0.12 1.25 0.00 -1.41 0.26 119.26 120.56 3i8i h ALA 61 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 3i8i h ALA 61 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i8i h ALA 61 CO 0.09 -0.27 -1.23 1.25 0.00 0.00 0.00 179.25 179.09 3i8i h LEU 62 N 0.00 0.78 0.00 0.00 5.85 -0.49 -0.29 115.31 121.16 3i8i h LEU 62 Ca 0.00 -0.73 -0.19 0.00 0.84 0.00 0.00 57.88 57.80 3i8i h LEU 62 Cb 0.61 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3i8i h LEU 62 CO 0.00 1.54 -1.10 0.16 -0.34 0.00 0.00 178.44 178.70 3i8i h ILE 63 N 0.24 1.08 0.00 4.05 3.07 -0.47 -3.34 117.51 122.14 3i8i h ILE 63 Ca -0.17 -2.69 0.00 0.00 1.55 0.00 0.00 64.86 63.55 3i8i h ILE 63 Cb 1.90 2.49 0.00 0.00 -0.27 0.00 0.00 36.82 40.94 3i8i h ILE 63 CO 0.23 0.62 -1.08 1.07 -1.05 0.00 0.00 178.15 177.94 3i8i n THR 64 N -3.16 0.05 -1.06 0.16 5.66 -0.47 -4.91 114.28 110.55 3i8i n THR 64 Ca -0.05 -0.14 -0.02 0.00 -3.05 0.00 0.00 64.05 60.79 3i8i n THR 64 Cb 0.89 0.53 -0.01 0.00 -1.55 0.00 0.00 70.33 70.19 3i8i n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i8i n GLY 65 N 1.43 0.36 2.91 1.09 0.00 -0.12 -4.96 105.19 105.90 3i8i n GLY 65 Ca 0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 3i8i n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i8i s GLN 66 N -1.55 0.28 0.18 1.61 0.74 -1.20 -5.03 119.66 114.70 3i8i s GLN 66 Ca 0.00 -0.09 -0.30 0.00 0.05 0.00 0.00 55.36 55.02 3i8i s GLN 66 Cb 0.00 -0.30 -0.08 0.00 1.10 0.00 0.00 33.01 33.73 3i8i s GLN 66 CO 0.00 0.04 1.08 -1.59 -0.55 0.00 0.00 175.29 174.27 3i8i s LYS 67 N 0.10 4.62 0.48 1.67 0.00 -1.26 -3.93 119.74 121.42 3i8i s LYS 67 Ca -0.01 1.69 0.02 0.00 0.00 0.00 0.00 55.97 57.67 3i8i s LYS 67 Cb -0.03 -3.28 0.01 0.00 0.00 0.00 0.00 37.83 34.53 3i8i s LYS 67 CO -0.00 0.13 0.68 -1.25 0.00 0.00 0.00 175.35 174.91 3i8i s PRO 68 N -0.48 2.84 0.05 1.78 0.04 -1.26 -4.93 135.00 133.04 3i8i s PRO 68 Ca 0.48 -0.73 0.06 0.00 0.04 0.00 0.00 61.00 60.85 3i8i s PRO 68 Cb -0.29 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3i8i s PRO 68 CO 0.35 -0.41 -0.10 0.00 0.04 0.00 0.00 177.00 176.87 3i8i s ALA 69 N -2.58 2.92 0.57 8.56 0.00 -0.20 -4.93 121.76 126.10 3i8i s ALA 69 Ca 0.52 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 3i8i s ALA 69 Cb -0.10 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 3i8i s ALA 69 CO 0.37 0.62 1.02 0.14 0.00 0.00 0.00 175.76 177.91 3i8i s VAL 70 N -1.08 4.31 -0.10 0.00 -7.23 -1.26 -0.78 120.40 114.26 3i8i s VAL 70 Ca 0.19 1.02 -0.00 0.00 -1.81 0.00 0.00 61.98 61.38 3i8i s VAL 70 Cb -0.11 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 3i8i s VAL 70 CO 0.10 -0.72 -0.09 0.42 -0.31 0.00 0.00 175.10 174.50 3i8i s THR 71 N -2.69 3.50 -0.12 5.32 -4.23 0.54 -4.82 115.64 113.14 3i8i s THR 71 Ca 0.60 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 3i8i s THR 71 Cb -0.12 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 3i8i s THR 71 CO 0.38 0.56 0.02 -0.13 -0.54 0.00 0.00 174.62 174.90 3i8i s ARG 72 N -0.25 3.31 0.20 3.99 1.81 -1.26 -1.81 118.95 124.93 3i8i s ARG 72 Ca 0.03 -0.39 -0.32 0.00 -1.72 0.00 0.00 55.73 53.32 3i8i s ARG 72 Cb -0.13 -2.92 -0.14 0.00 -0.45 0.00 0.00 34.95 31.31 3i8i s ARG 72 CO 0.03 0.56 1.39 0.00 -0.68 0.00 0.00 175.30 176.60 3i8i n ALA 73 N 2.60 0.66 -0.04 2.13 0.00 -1.18 -4.91 120.51 119.77 3i8i n ALA 73 Ca -0.18 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 3i8i n ALA 73 Cb 0.53 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.64 3i8i n ALA 73 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i8i h LYS 74 N 4.42 0.06 0.00 0.00 1.57 -1.87 -3.39 116.57 117.37 3i8i h LYS 74 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3i8i h LYS 74 Cb 1.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3i8i h LYS 74 CO 0.77 0.83 0.00 0.36 -0.57 0.00 0.00 179.45 180.85 3i8i n LYS 75 N -4.64 3.42 -4.35 3.15 2.85 -1.26 -4.78 118.16 112.55 3i8i n LYS 75 Ca -0.09 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.98 3i8i n LYS 75 Cb 0.43 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.67 3i8i n LYS 75 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3i8i s SER 76 N 1.00 1.24 -0.35 -5.58 0.01 -1.26 -3.40 113.70 105.35 3i8i s SER 76 Ca 0.00 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.98 3i8i s SER 76 Cb 0.00 -0.10 0.11 0.00 0.21 0.00 0.00 66.02 66.24 3i8i s SER 76 CO 0.00 0.06 0.12 -0.63 0.41 0.00 0.00 173.24 173.21 3i8i s ILE 77 N -0.51 1.26 0.16 1.44 1.09 -0.38 -4.97 121.20 119.28 3i8i s ILE 77 Ca 0.02 -1.86 -0.21 0.00 -1.10 0.00 0.00 60.65 57.50 3i8i s ILE 77 Cb -0.05 -1.93 0.05 0.00 -1.06 0.00 0.00 42.46 39.47 3i8i s ILE 77 CO 0.00 -0.72 1.64 -1.28 -0.10 0.00 0.00 174.94 174.48 3i8i h SER 78 N 7.67 -0.68 -1.77 3.58 0.87 -1.85 1.10 113.55 122.48 3i8i h SER 78 Ca -0.09 0.14 0.53 0.00 -1.23 0.00 0.00 61.79 61.14 3i8i h SER 78 Cb 0.99 0.34 -0.09 0.00 -0.44 0.00 0.00 62.40 63.20 3i8i h SER 78 CO 0.49 -0.24 1.25 0.78 -0.53 0.00 0.00 176.83 178.58 3i8i h ASN 79 N -0.18 0.05 -0.41 6.23 4.21 -1.99 -1.71 115.58 121.79 3i8i h ASN 79 Ca 0.16 0.03 -0.25 0.00 1.21 0.00 0.00 56.30 57.45 3i8i h ASN 79 Cb 0.42 0.03 -0.31 0.00 -1.12 0.00 0.00 38.32 37.34 3i8i h ASN 79 CO -0.41 -0.05 -0.85 0.49 -1.29 0.00 0.00 177.43 175.32 3i8i n PHE 80 N -4.14 0.01 -4.98 1.19 3.72 0.23 -5.14 117.46 108.36 3i8i n PHE 80 Ca 0.42 -2.16 0.00 0.00 -0.05 0.00 0.00 57.45 55.66 3i8i n PHE 80 Cb 1.84 0.38 0.00 0.00 -0.94 0.00 0.00 39.48 40.76 3i8i n PHE 80 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3i8i n LYS 81 N -0.70 0.00 -0.32 -1.08 4.76 0.36 -4.84 118.16 116.33 3i8i n LYS 81 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i8i n LYS 81 Cb 0.83 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.02 3i8i n LYS 81 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i8i n LEU 82 N 0.00 -2.58 -4.78 -0.35 4.77 -1.26 -1.25 117.00 111.55 3i8i n LEU 82 Ca 0.00 0.43 -0.31 0.00 -0.03 0.00 0.00 56.01 56.10 3i8i n LEU 82 Cb 0.00 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3i8i n LEU 82 CO 0.00 -0.11 -0.21 -0.13 -1.33 0.00 0.00 177.39 175.62 3i8i s ARG 83 N -3.59 2.19 0.00 3.23 0.52 -1.26 -2.41 118.95 117.63 3i8i s ARG 83 Ca 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 55.73 52.90 3i8i s ARG 83 Cb 0.00 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.83 3i8i s ARG 83 CO 0.00 -0.38 0.82 1.63 0.02 0.00 0.00 175.30 177.39 3i8i n LYS 84 N -1.33 0.00 0.00 3.54 4.76 -1.22 -4.43 118.16 119.49 3i8i n LYS 84 Ca -0.15 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 3i8i n LYS 84 Cb 0.66 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3i8i n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8i n GLY 85 N -1.00 -1.43 1.41 0.72 0.00 -1.26 -3.56 105.19 100.07 3i8i n GLY 85 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3i8i n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i8i n MET 86 N 0.00 -1.64 -2.08 1.61 0.00 -1.26 -3.61 117.12 110.15 3i8i n MET 86 Ca 0.00 1.53 -0.40 0.00 0.00 0.00 0.00 57.70 58.83 3i8i n MET 86 Cb 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 33.22 31.38 3i8i n MET 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3i8i s PRO 87 N -1.59 2.89 -0.39 2.12 0.04 -1.26 -3.11 135.00 133.70 3i8i s PRO 87 Ca 0.00 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.86 3i8i s PRO 87 Cb 0.00 -4.31 0.11 0.00 0.04 0.00 0.00 34.50 30.35 3i8i s PRO 87 CO 0.00 -2.41 0.13 -1.50 0.04 0.00 0.00 177.00 173.25 3i8i s ILE 88 N 8.16 2.05 0.00 0.56 -1.16 -0.75 -4.53 121.20 125.52 3i8i s ILE 88 Ca 0.68 -2.47 0.00 0.00 -0.51 0.00 0.00 60.65 58.36 3i8i s ILE 88 Cb -0.15 -2.49 0.00 0.00 0.61 0.00 0.00 42.46 40.44 3i8i s ILE 88 CO 0.24 -0.69 0.00 0.61 -2.81 0.00 0.00 174.94 172.29 3i8i n GLY 89 N 3.98 2.91 3.07 1.50 0.00 -1.26 -4.50 105.19 110.90 3i8i n GLY 89 Ca 0.04 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 3i8i n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8i s LEU 90 N 0.00 1.96 0.02 0.99 2.01 -0.30 -0.34 118.68 123.01 3i8i s LEU 90 Ca 0.00 -0.23 0.01 0.00 0.01 0.00 0.00 54.13 53.91 3i8i s LEU 90 Cb 0.00 -0.67 -0.01 0.00 0.01 0.00 0.00 46.19 45.52 3i8i s LEU 90 CO 0.00 0.13 -0.03 -0.60 1.01 0.00 0.00 176.35 176.86 3i8i s ARG 91 N -0.15 0.29 -0.14 1.70 3.52 0.04 -0.42 118.95 123.79 3i8i s ARG 91 Ca 0.02 -0.45 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 3i8i s ARG 91 Cb -0.06 -0.04 0.07 0.00 -1.56 0.00 0.00 34.95 33.35 3i8i s ARG 91 CO 0.00 -0.01 0.17 0.54 -0.81 0.00 0.00 175.30 175.20 3i8i s VAL 92 N -0.98 -0.26 -0.57 7.11 0.11 -0.81 -1.03 120.40 123.97 3i8i s VAL 92 Ca -0.09 0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 3i8i s VAL 92 Cb -0.07 -0.47 0.12 0.00 -1.53 0.00 0.00 36.38 34.43 3i8i s VAL 92 CO -0.00 -0.04 0.61 -0.89 -3.33 0.00 0.00 175.10 171.45 3i8i s THR 93 N 2.29 5.02 0.06 5.04 2.01 -1.26 -1.57 115.64 127.22 3i8i s THR 93 Ca 0.04 -1.26 0.07 0.00 0.31 0.00 0.00 61.69 60.84 3i8i s THR 93 Cb -0.14 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 3i8i s THR 93 CO -0.08 -1.01 -0.13 -1.48 -0.69 0.00 0.00 174.62 171.22 3i8i s LEU 94 N 2.13 2.86 0.36 4.42 2.34 -1.09 -4.99 118.68 124.70 3i8i s LEU 94 Ca 0.08 -0.37 -0.05 0.00 0.06 0.00 0.00 54.13 53.84 3i8i s LEU 94 Cb -0.27 -1.67 0.02 0.00 -0.56 0.00 0.00 46.19 43.71 3i8i s LEU 94 CO 0.04 0.23 0.55 0.00 -1.06 0.00 0.00 176.35 176.12 3i8i s ARG 95 N -1.74 2.01 0.05 1.48 1.70 -1.26 -0.80 118.95 120.39 3i8i s ARG 95 Ca 0.17 -1.70 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 3i8i s ARG 95 Cb -0.11 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3i8i s ARG 95 CO 0.09 -0.86 0.00 0.54 -1.08 0.00 0.00 175.30 173.98 3i8i n ARG 96 N -0.57 -1.73 0.00 3.89 1.74 -1.26 -3.68 116.66 115.05 3i8i n ARG 96 Ca -0.01 1.23 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 3i8i n ARG 96 Cb 0.61 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3i8i n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i8i n ASP 97 N 1.73 0.00 -0.34 0.55 9.92 -1.26 -3.57 116.55 123.59 3i8i n ASP 97 Ca 0.00 0.00 0.32 0.00 -0.53 0.00 0.00 54.79 54.58 3i8i n ASP 97 Cb 0.00 0.00 0.57 0.00 -0.64 0.00 0.00 41.12 41.05 3i8i n ASP 97 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3i8i n ARG 98 N 0.00 -0.05 0.02 -1.24 1.74 -1.25 0.38 116.66 116.25 3i8i n ARG 98 Ca 0.00 1.25 -0.19 0.00 -0.77 0.00 0.00 57.85 58.14 3i8i n ARG 98 Cb 0.00 -2.31 -0.10 0.00 -1.02 0.00 0.00 32.46 29.04 3i8i n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8i h MET 99 N 0.00 0.69 0.21 5.56 -0.00 -1.63 -1.48 114.93 118.27 3i8i h MET 99 Ca 0.80 -0.68 -0.01 0.00 -0.00 0.00 0.00 59.70 59.81 3i8i h MET 99 Cb 2.25 0.18 0.00 0.00 -0.00 0.00 0.00 31.60 34.03 3i8i h MET 99 CO -0.64 1.27 -0.10 -1.49 -0.00 0.00 0.00 176.91 175.95 3i8i h TRP 100 N 0.36 -0.26 -0.99 -0.10 4.06 0.67 0.59 115.95 120.28 3i8i h TRP 100 Ca -0.10 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 60.97 3i8i h TRP 100 Cb 1.55 0.09 -0.09 0.00 -1.00 0.00 0.00 29.16 29.71 3i8i h TRP 100 CO 0.10 -0.14 0.62 -0.84 -3.56 0.00 0.00 178.44 174.63 3i8i h ILE 101 N -0.32 0.90 0.21 1.49 3.07 0.21 0.65 117.51 123.73 3i8i h ILE 101 Ca -0.03 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 66.04 3i8i h ILE 101 Cb 0.24 -0.15 0.00 0.00 -0.27 0.00 0.00 36.82 36.64 3i8i h ILE 101 CO 0.05 0.18 -0.10 0.15 -1.05 0.00 0.00 178.15 177.37 3i8i h PHE 102 N 0.97 -0.26 -0.81 0.16 3.04 -0.72 -1.91 116.94 117.42 3i8i h PHE 102 Ca 0.50 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.55 3i8i h PHE 102 Cb 0.51 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.05 3i8i h PHE 102 CO -0.01 0.14 0.53 -0.07 -2.02 0.00 0.00 178.31 176.88 3i8i h LEU 103 N -0.80 0.63 -0.42 0.59 3.38 0.58 0.68 115.31 119.96 3i8i h LEU 103 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i8i h LEU 103 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3i8i h LEU 103 CO 0.05 0.37 0.09 -0.08 0.09 0.00 0.00 178.44 178.96 3i8i h GLU 104 N 0.70 0.68 0.00 1.13 4.81 0.35 -0.52 114.58 121.73 3i8i h GLU 104 Ca 0.38 -0.17 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 3i8i h GLU 104 Cb 0.52 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3i8i h GLU 104 CO -0.15 0.70 -0.86 0.87 -0.73 0.00 0.00 179.01 178.84 3i8i h LYS 105 N 0.54 0.14 0.63 1.92 1.57 -0.37 -0.43 116.57 120.57 3i8i h LYS 105 Ca 0.13 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3i8i h LYS 105 Cb 0.33 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3i8i h LYS 105 CO 0.00 0.92 -0.30 1.25 -0.57 0.00 0.00 179.45 180.75 3i8i h LEU 106 N 0.08 -0.72 -0.97 2.94 5.85 0.51 0.23 115.31 123.24 3i8i h LEU 106 Ca -0.03 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3i8i h LEU 106 Cb 1.49 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 3i8i h LEU 106 CO 0.13 -0.47 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.50 3i8i h LEU 107 N -0.91 0.53 0.00 2.25 3.38 -1.14 -0.85 115.31 118.56 3i8i h LEU 107 Ca -0.09 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3i8i h LEU 107 Cb 0.67 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3i8i h LEU 107 CO 0.14 0.72 -1.04 0.78 0.09 0.00 0.00 178.44 179.13 3i8i h ASN 108 N 0.48 0.00 0.00 -0.43 4.21 -0.98 -3.44 115.58 115.42 3i8i h ASN 108 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 3i8i h ASN 108 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 3i8i h ASN 108 CO 0.04 0.50 -0.37 0.52 -1.29 0.00 0.00 177.43 176.83 3i8i n VAL 109 N -2.99 0.00 0.00 2.81 0.31 0.65 -4.86 118.33 114.24 3i8i n VAL 109 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3i8i n VAL 109 Cb 0.78 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3i8i n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8i n ALA 110 N -2.21 0.00 -0.20 3.52 0.00 -0.18 -2.66 120.51 118.79 3i8i n ALA 110 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3i8i n ALA 110 Cb 0.19 0.04 0.30 0.00 0.00 0.00 0.00 19.45 19.97 3i8i n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8i n LEU 111 N -0.31 0.12 0.00 0.00 4.77 -0.39 -0.78 117.00 120.41 3i8i n LEU 111 Ca 0.00 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 3i8i n LEU 111 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3i8i n LEU 111 CO 0.00 -1.09 0.47 -2.65 -1.33 0.00 0.00 177.39 172.79 3i8i n PRO 112 N -4.48 0.00 0.00 3.23 -0.02 -1.15 -2.26 135.00 130.32 3i8i n PRO 112 Ca 0.20 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3i8i n PRO 112 Cb 0.67 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3i8i n PRO 112 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i8i n ARG 113 N -2.29 0.00 -1.75 -0.52 1.74 0.04 -4.72 116.66 109.15 3i8i n ARG 113 Ca 0.00 0.16 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 3i8i n ARG 113 Cb 0.00 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 29.80 3i8i n ARG 113 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i8i n ILE 114 N -1.07 2.56 -1.51 0.55 2.08 -0.96 -4.73 119.36 116.28 3i8i n ILE 114 Ca 0.00 -0.50 -0.38 0.00 0.56 0.00 0.00 62.75 62.43 3i8i n ILE 114 Cb 0.16 -1.82 -0.13 0.00 -0.75 0.00 0.00 39.64 37.10 3i8i n ILE 114 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3i8i n ARG 115 N 0.01 0.24 0.00 0.38 1.74 -1.26 -3.77 116.66 113.99 3i8i n ARG 115 Ca 0.05 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3i8i n ARG 115 Cb 0.40 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3i8i n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i8i n ASP 116 N 11.53 0.00 -0.55 0.55 9.92 -1.26 -4.87 116.55 131.88 3i8i n ASP 116 Ca 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 3i8i n ASP 116 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3i8i n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3i8i n PHE 117 N 0.00 -0.84 -0.11 1.24 7.35 -1.25 -4.99 117.46 118.86 3i8i n PHE 117 Ca 0.00 0.47 -0.21 0.00 -0.76 0.00 0.00 57.45 56.95 3i8i n PHE 117 Cb 0.00 -2.09 -0.09 0.00 0.35 0.00 0.00 39.48 37.66 3i8i n PHE 117 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3i8i n ARG 118 N 0.00 0.50 0.00 -4.13 3.00 -1.26 -5.10 116.66 109.68 3i8i n ARG 118 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 3i8i n ARG 118 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.10 3i8i n ARG 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8i n GLY 119 N 1.90 0.22 3.77 5.14 0.00 -1.26 -4.61 105.19 110.34 3i8i n GLY 119 Ca -0.42 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3i8i n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8i s LEU 120 N 0.00 4.60 -0.27 0.99 1.43 0.20 -4.41 118.68 121.22 3i8i s LEU 120 Ca 0.00 1.77 -0.28 0.00 -1.03 0.00 0.00 54.13 54.59 3i8i s LEU 120 Cb 0.00 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3i8i s LEU 120 CO 0.00 0.18 1.87 0.21 0.23 0.00 0.00 176.35 178.83 3i8i s ASN 121 N -1.19 5.90 0.00 2.29 3.04 -1.26 -1.70 114.94 122.01 3i8i s ASN 121 Ca 0.39 1.53 0.00 0.00 0.04 0.00 0.00 52.86 54.81 3i8i s ASN 121 Cb -0.24 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 36.95 3i8i s ASN 121 CO 0.28 -1.67 0.73 -0.81 -3.04 0.00 0.00 177.10 172.60 3i8i n PRO 122 N 8.35 0.86 0.00 0.43 -0.04 -1.26 -2.77 135.00 140.57 3i8i n PRO 122 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3i8i n PRO 122 Cb 0.46 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3i8i n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i8i n ASN 123 N 0.42 4.96 0.00 3.54 5.03 -1.26 -4.71 115.26 123.24 3i8i n ASN 123 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i8i n ASN 123 Cb 0.37 0.73 0.00 0.00 -1.02 0.00 0.00 39.78 39.86 3i8i n ASN 123 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3i8i n SER 124 N -1.75 0.00 -4.71 6.41 7.64 -1.11 -4.70 113.62 115.40 3i8i n SER 124 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3i8i n SER 124 Cb 0.26 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 3i8i n SER 124 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i8i s PHE 125 N -1.80 3.50 -1.80 1.43 0.40 -1.26 -3.61 117.98 114.84 3i8i s PHE 125 Ca 0.00 1.47 0.07 0.00 -0.60 0.00 0.00 56.93 57.88 3i8i s PHE 125 Cb 0.00 -3.28 0.41 0.00 0.51 0.00 0.00 43.02 40.66 3i8i s PHE 125 CO 0.00 -0.68 0.96 -0.40 0.70 0.00 0.00 175.22 175.80 3i8i n ASP 126 N 4.19 0.00 0.00 1.36 5.75 -0.26 -4.80 116.55 122.79 3i8i n ASP 126 Ca 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3i8i n ASP 126 Cb 0.48 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3i8i n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i8i n GLY 127 N -0.60 0.50 2.72 6.12 0.00 -1.26 -4.88 105.19 107.79 3i8i n GLY 127 Ca 0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 3i8i n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 128 N -2.87 1.46 -3.42 1.61 1.74 -1.26 -4.56 116.66 109.37 3i8i n ARG 128 Ca 0.00 -1.90 -0.18 0.00 -0.77 0.00 0.00 57.85 55.00 3i8i n ARG 128 Cb 0.00 -0.18 0.07 0.00 -1.02 0.00 0.00 32.46 31.34 3i8i n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8i n GLY 129 N -1.25 -0.63 3.15 -0.13 0.00 -1.23 -4.58 105.19 100.52 3i8i n GLY 129 Ca -0.10 0.27 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3i8i n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8i s ASN 130 N -4.02 -0.31 0.10 1.61 0.01 -1.26 -3.16 114.94 107.90 3i8i s ASN 130 Ca 0.16 0.60 0.10 0.00 -0.71 0.00 0.00 52.86 53.01 3i8i s ASN 130 Cb -0.03 0.55 -0.04 0.00 0.41 0.00 0.00 41.25 42.15 3i8i s ASN 130 CO 0.75 -0.13 -0.25 -0.47 -1.51 0.00 0.00 177.10 175.49 3i8i s TYR 131 N 0.64 2.37 -0.02 2.20 5.04 -0.31 -1.10 117.35 126.18 3i8i s TYR 131 Ca -0.04 -0.36 -0.00 0.00 -2.44 0.00 0.00 57.07 54.23 3i8i s TYR 131 Cb -0.05 -1.32 0.03 0.00 0.35 0.00 0.00 41.96 40.96 3i8i s TYR 131 CO -0.04 0.29 0.04 -0.80 -1.34 0.00 0.00 175.55 173.70 3i8i s ASN 132 N -1.81 0.04 -0.02 4.32 0.01 -1.24 -0.27 114.94 115.98 3i8i s ASN 132 Ca 0.14 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 3i8i s ASN 132 Cb -0.10 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.55 3i8i s ASN 132 CO 0.06 -0.12 0.01 -1.48 -1.51 0.00 0.00 177.10 174.06 3i8i s LEU 133 N 1.02 1.25 -0.02 0.60 2.34 -0.54 -4.84 118.68 118.49 3i8i s LEU 133 Ca -0.08 0.01 -0.02 0.00 0.06 0.00 0.00 54.13 54.09 3i8i s LEU 133 Cb -0.12 -0.12 -0.04 0.00 -0.56 0.00 0.00 46.19 45.35 3i8i s LEU 133 CO -0.03 -0.10 0.14 -0.83 -1.06 0.00 0.00 176.35 174.47 3i8i s GLY 134 N 0.88 2.12 0.41 -3.48 0.00 -1.26 -0.39 107.32 105.60 3i8i s GLY 134 Ca -0.08 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 43.91 3i8i s GLY 134 CO -0.02 -0.66 0.02 1.08 0.00 0.00 0.00 173.10 173.52 3i8i s LEU 135 N -1.77 2.72 0.00 0.66 1.02 0.30 -4.97 118.68 116.64 3i8i s LEU 135 Ca 0.24 -1.40 0.00 0.00 0.02 0.00 0.00 54.13 52.99 3i8i s LEU 135 Cb -0.12 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.28 3i8i s LEU 135 CO 0.15 -0.52 0.00 0.54 0.02 0.00 0.00 176.35 176.55 3i8i n ARG 136 N -0.96 3.96 0.00 1.70 1.74 -1.26 -2.42 116.66 119.42 3i8i n ARG 136 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3i8i n ARG 136 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 3i8i n ARG 136 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3i8i n GLU 137 N 0.00 0.00 0.06 5.56 0.28 -1.26 -4.13 120.64 121.14 3i8i n GLU 137 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 3i8i n GLU 137 Cb 0.00 0.00 0.40 0.00 1.43 0.00 0.00 31.44 33.27 3i8i n GLU 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i8i n GLN 138 N 0.00 0.09 0.00 3.44 0.00 -1.24 -3.47 117.38 116.20 3i8i n GLN 138 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 57.00 57.35 3i8i n GLN 138 Cb 0.00 -1.66 0.27 0.00 0.00 0.00 0.00 30.24 28.84 3i8i n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3i8i n LEU 139 N -1.83 0.00 0.16 2.61 -0.00 -1.26 -2.97 117.00 113.71 3i8i n LEU 139 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.17 3i8i n LEU 139 Cb 0.21 0.00 0.42 0.00 -0.00 0.00 0.00 43.42 44.06 3i8i n LEU 139 CO 0.17 0.00 0.88 0.16 -0.00 0.00 0.00 177.39 178.60 3i8i h ILE 140 N 0.00 0.00 -3.85 1.47 3.07 -1.91 -3.44 117.51 112.85 3i8i h ILE 140 Ca 0.00 -0.53 -0.47 0.00 1.55 0.00 0.00 64.86 65.41 3i8i h ILE 140 Cb 0.00 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 37.99 3i8i h ILE 140 CO 0.00 0.00 0.34 -0.36 -1.05 0.00 0.00 178.15 177.08 3i8i s PHE 141 N -3.27 3.75 0.06 0.16 0.08 -1.16 -4.38 117.98 113.22 3i8i s PHE 141 Ca 0.07 1.80 -0.29 0.00 0.12 0.00 0.00 56.93 58.63 3i8i s PHE 141 Cb 0.09 -2.93 -0.15 0.00 -0.57 0.00 0.00 43.02 39.47 3i8i s PHE 141 CO 0.55 0.26 1.44 -1.00 -0.10 0.00 0.00 175.22 176.37 3i8i h PRO 142 N 3.36 -0.86 0.00 0.24 0.13 -1.92 -2.76 132.00 130.18 3i8i h PRO 142 Ca -0.46 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3i8i h PRO 142 Cb 1.19 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3i8i h PRO 142 CO 0.65 -0.58 0.32 0.39 -0.23 0.00 0.00 178.00 178.56 3i8i n GLU 143 N -4.87 0.00 -3.15 0.86 1.02 -1.26 -4.32 120.64 108.92 3i8i n GLU 143 Ca -0.11 0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 3i8i n GLU 143 Cb 0.39 -1.82 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 3i8i n GLU 143 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i8i s ILE 144 N -2.39 4.91 -0.76 -3.67 -1.09 -1.04 -4.95 121.20 112.21 3i8i s ILE 144 Ca -0.00 0.31 0.23 0.00 -2.23 0.00 0.00 60.65 58.96 3i8i s ILE 144 Cb 0.00 -4.09 0.22 0.00 -1.58 0.00 0.00 42.46 37.01 3i8i s ILE 144 CO 0.00 -0.39 1.70 0.35 -1.23 0.00 0.00 174.94 175.37 3i8i n THR 145 N 5.63 0.67 0.00 2.92 -2.24 -1.26 -4.89 114.28 115.11 3i8i n THR 145 Ca -0.03 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3i8i n THR 145 Cb 0.48 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3i8i n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8i n TYR 146 N -1.93 0.00 0.00 4.78 9.36 -1.26 -4.51 117.16 123.60 3i8i n TYR 146 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3i8i n TYR 146 Cb 0.28 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 3i8i n TYR 146 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3i8i n ASP 147 N 3.91 0.00 0.02 2.98 9.92 -1.26 0.18 116.55 132.30 3i8i n ASP 147 Ca 0.00 0.28 -0.18 0.00 -0.53 0.00 0.00 54.79 54.36 3i8i n ASP 147 Cb 0.00 -0.28 -0.14 0.00 -0.64 0.00 0.00 41.12 40.06 3i8i n ASP 147 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 3i8i h MET 148 N 0.00 0.23 -6.75 -1.24 1.85 -1.97 -3.48 114.93 103.58 3i8i h MET 148 Ca 0.00 -0.40 -0.39 0.00 -0.61 0.00 0.00 59.70 58.31 3i8i h MET 148 Cb 0.31 0.15 0.21 0.00 0.43 0.00 0.00 31.60 32.70 3i8i h MET 148 CO 0.00 1.08 -0.43 1.33 -0.40 0.00 0.00 176.91 178.49 3i8i n VAL 149 N -3.41 0.00 -0.84 -5.77 0.24 0.49 -4.95 118.33 104.08 3i8i n VAL 149 Ca -0.25 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3i8i n VAL 149 Cb 1.05 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 3i8i n VAL 149 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3i8i n ASP 150 N -3.55 0.00 -3.41 -1.34 5.75 -1.26 -5.04 116.55 107.70 3i8i n ASP 150 Ca 0.05 -0.42 0.03 0.00 -0.01 0.00 0.00 54.79 54.43 3i8i n ASP 150 Cb 0.55 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.59 3i8i n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i8i s ALA 151 N 0.00 -2.94 -1.20 2.12 0.00 -1.26 -5.08 121.76 113.40 3i8i s ALA 151 Ca 0.00 1.91 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 3i8i s ALA 151 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 21.01 3i8i s ALA 151 CO 0.00 -0.67 1.78 -0.51 0.00 0.00 0.00 175.76 176.35 3i8i s LEU 152 N 1.63 3.50 -0.30 0.00 1.43 -1.26 -4.86 118.68 118.83 3i8i s LEU 152 Ca -0.04 -1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 51.03 3i8i s LEU 152 Cb -0.02 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 3i8i s LEU 152 CO -0.14 -1.92 0.13 0.00 0.23 0.00 0.00 176.35 174.66 3i8i s ARG 153 N 5.23 3.41 0.00 1.70 1.70 -1.26 -4.41 118.95 125.32 3i8i s ARG 153 Ca 0.59 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 3i8i s ARG 153 Cb 0.01 -3.51 0.00 0.00 -0.57 0.00 0.00 34.95 30.88 3i8i s ARG 153 CO 0.07 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 3i8i n GLY 154 N 4.97 0.88 3.87 3.88 0.00 -1.26 -3.71 105.19 113.82 3i8i n GLY 154 Ca -0.14 -1.58 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 3i8i n GLY 154 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3i8i s MET 155 N 0.64 1.66 -0.06 1.61 0.23 -1.01 -4.78 119.30 117.58 3i8i s MET 155 Ca 0.00 -1.08 0.01 0.00 -1.03 0.00 0.00 55.69 53.58 3i8i s MET 155 Cb 0.00 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 3i8i s MET 155 CO 0.00 -0.78 -0.06 -0.51 -2.03 0.00 0.00 175.02 171.64 3i8i s ASP 156 N -3.33 1.37 -0.15 -1.18 1.01 0.14 0.11 116.67 114.64 3i8i s ASP 156 Ca 0.21 -0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.26 3i8i s ASP 156 Cb -0.04 -0.57 -0.03 0.00 1.01 0.00 0.00 42.92 43.30 3i8i s ASP 156 CO 0.08 -0.07 -0.05 -0.63 0.21 0.00 0.00 175.17 174.71 3i8i s ILE 157 N 1.14 3.76 -0.28 0.77 1.01 0.48 -0.86 121.20 127.22 3i8i s ILE 157 Ca -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 3i8i s ILE 157 Cb -0.14 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.73 3i8i s ILE 157 CO -0.01 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.43 3i8i s ALA 158 N 0.34 2.84 -0.27 9.38 0.00 -0.65 -1.47 121.76 131.93 3i8i s ALA 158 Ca -0.05 -1.59 -0.15 0.00 0.00 0.00 0.00 51.96 50.17 3i8i s ALA 158 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 3i8i s ALA 158 CO 0.03 -1.04 0.37 0.54 0.00 0.00 0.00 175.76 175.67 3i8i s VAL 159 N 1.34 5.18 -0.12 0.00 0.11 0.63 -1.46 120.40 126.07 3i8i s VAL 159 Ca -0.01 0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 3i8i s VAL 159 Cb -0.18 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 3i8i s VAL 159 CO -0.01 0.17 0.09 -0.69 -3.33 0.00 0.00 175.10 171.32 3i8i s VAL 160 N 2.02 5.06 0.15 2.04 1.01 -0.65 -1.16 120.40 128.87 3i8i s VAL 160 Ca 0.15 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.20 3i8i s VAL 160 Cb -0.16 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3i8i s VAL 160 CO 0.10 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.85 3i8i s THR 161 N -0.70 0.81 -1.13 3.92 2.01 -1.19 -1.72 115.64 117.63 3i8i s THR 161 Ca 0.12 -1.99 0.28 0.00 0.31 0.00 0.00 61.69 60.41 3i8i s THR 161 Cb -0.12 -1.98 0.24 0.00 0.01 0.00 0.00 72.50 70.65 3i8i s THR 161 CO 0.03 -0.61 1.80 0.35 -0.69 0.00 0.00 174.62 175.49 3i8i n THR 162 N -0.20 0.00 -1.70 -0.82 -2.24 -1.14 -4.83 114.28 103.35 3i8i n THR 162 Ca -0.08 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3i8i n THR 162 Cb 0.62 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 3i8i n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8i n ALA 163 N -1.40 2.34 0.14 6.98 0.00 -1.26 -4.86 120.51 122.44 3i8i n ALA 163 Ca 0.08 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.91 3i8i n ALA 163 Cb 0.32 -2.50 0.16 0.00 0.00 0.00 0.00 19.45 17.44 3i8i n ALA 163 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i8i h GLU 164 N 6.93 0.00 -6.43 0.00 5.08 -1.89 -3.33 114.58 114.94 3i8i h GLU 164 Ca -0.44 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.31 3i8i h GLU 164 Cb 1.22 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 3i8i h GLU 164 CO 0.94 0.61 -0.84 0.95 -1.00 0.00 0.00 179.01 179.67 3i8i s THR 165 N -3.51 1.93 -1.56 1.13 -4.23 -1.26 -4.26 115.64 103.87 3i8i s THR 165 Ca -0.01 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3i8i s THR 165 Cb 0.12 -1.74 0.13 0.00 1.34 0.00 0.00 72.50 72.35 3i8i s THR 165 CO 0.76 -0.02 0.95 -0.90 -0.54 0.00 0.00 174.62 174.87 3i8i n ASP 166 N 0.98 1.14 -0.06 3.99 5.75 -1.26 -2.05 116.55 125.04 3i8i n ASP 166 Ca -0.19 -2.06 -0.22 0.00 -0.01 0.00 0.00 54.79 52.31 3i8i n ASP 166 Cb 0.53 -0.26 -0.12 0.00 -1.03 0.00 0.00 41.12 40.24 3i8i n ASP 166 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3i8i n GLU 167 N -0.03 0.66 0.24 0.11 0.00 -1.26 -2.17 120.64 118.18 3i8i n GLU 167 Ca 0.05 0.38 0.13 0.00 0.00 0.00 0.00 57.16 57.72 3i8i n GLU 167 Cb 0.23 -1.69 0.42 0.00 0.00 0.00 0.00 31.44 30.40 3i8i n GLU 167 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3i8i h GLU 168 N -0.47 0.00 0.03 5.31 5.08 -1.91 -2.87 114.58 119.75 3i8i h GLU 168 Ca -0.44 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.66 3i8i h GLU 168 Cb 1.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 3i8i h GLU 168 CO -0.10 0.08 -1.39 0.00 -1.00 0.00 0.00 179.01 176.60 3i8i h ALA 169 N 1.92 0.49 -0.65 3.43 0.00 -1.52 -2.98 119.26 119.95 3i8i h ALA 169 Ca -0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 54.91 53.70 3i8i h ALA 169 Cb 0.79 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3i8i h ALA 169 CO 0.01 1.35 0.25 -0.09 0.00 0.00 0.00 179.25 180.77 3i8i h ARG 170 N 0.02 0.96 -0.27 0.00 9.65 -1.22 -2.70 114.38 120.82 3i8i h ARG 170 Ca -0.17 -0.16 -0.09 0.00 -1.10 0.00 0.00 59.98 58.46 3i8i h ARG 170 Cb 1.92 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 30.33 3i8i h ARG 170 CO 0.12 0.79 -0.17 0.00 2.80 0.00 0.00 179.97 183.51 3i8i h ALA 171 N 1.33 0.39 0.85 2.80 0.00 -1.57 -2.62 119.26 120.44 3i8i h ALA 171 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3i8i h ALA 171 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i8i h ALA 171 CO -0.02 0.30 -0.45 1.25 0.00 0.00 0.00 179.25 180.33 3i8i h LEU 172 N 0.33 -1.09 -2.48 0.00 5.85 -1.35 -1.60 115.31 114.98 3i8i h LEU 172 Ca 0.06 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3i8i h LEU 172 Cb 0.70 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3i8i h LEU 172 CO 0.05 -0.73 0.02 -0.07 -0.34 0.00 0.00 178.44 177.37 3i8i h LEU 173 N -1.19 0.00 0.05 2.25 3.38 -1.60 -2.10 115.31 116.09 3i8i h LEU 173 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3i8i h LEU 173 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3i8i h LEU 173 CO 0.17 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.34 3i8i h GLU 174 N 0.00 -0.06 -0.18 1.13 4.39 -1.03 -1.41 114.58 117.42 3i8i h GLU 174 Ca 0.01 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.76 3i8i h GLU 174 Cb 0.06 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3i8i h GLU 174 CO -0.00 -0.04 0.49 -0.07 -1.16 0.00 0.00 179.01 178.23 3i8i h LEU 175 N -0.08 0.00 -0.23 1.33 3.38 -1.11 -0.51 115.31 118.07 3i8i h LEU 175 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3i8i h LEU 175 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3i8i h LEU 175 CO 0.01 0.00 -0.91 -0.07 0.09 0.00 0.00 178.44 177.56 3i8i h LEU 176 N 0.00 0.24 0.00 1.67 3.38 -1.36 -3.46 115.31 115.78 3i8i h LEU 176 Ca 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3i8i h LEU 176 Cb 1.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i8i h LEU 176 CO -0.00 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.17 3i8i n GLY 177 N 0.95 0.22 3.62 0.83 0.00 -0.20 -5.08 105.19 105.53 3i8i n GLY 177 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3i8i n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8i s PHE 178 N -0.16 1.41 -1.00 1.61 0.40 -0.54 -4.92 117.98 114.78 3i8i s PHE 178 Ca 0.00 0.26 -0.23 0.00 -0.60 0.00 0.00 56.93 56.36 3i8i s PHE 178 Cb 0.00 -4.04 0.05 0.00 0.51 0.00 0.00 43.02 39.54 3i8i s PHE 178 CO 0.00 -4.22 1.44 -1.25 0.70 0.00 0.00 175.22 171.89 3i8i s PRO 179 N 5.48 3.56 0.07 0.24 0.04 -1.26 -4.61 135.00 138.52 3i8i s PRO 179 Ca 0.90 -1.06 -0.28 0.00 0.04 0.00 0.00 61.00 60.60 3i8i s PRO 179 Cb -0.33 -5.28 -0.05 0.00 0.04 0.00 0.00 34.50 28.88 3i8i s PRO 179 CO 0.36 -2.20 0.90 -0.06 0.04 0.00 0.00 177.00 176.03 3i8i s PHE 180 N 5.02 3.76 -0.83 0.56 0.40 -1.26 0.59 117.98 126.21 3i8i s PHE 180 Ca 0.45 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 3i8i s PHE 180 Cb -0.01 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.53 3i8i s PHE 180 CO -0.08 0.19 0.29 -2.13 0.70 0.00 0.00 175.22 174.19 3i8i n ARG 181 N 2.97 0.49 -0.81 0.44 0.00 -0.69 -4.66 116.66 114.41 3i8i n ARG 181 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3i8i n ARG 181 Cb 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.71 3i8i n ARG 181 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26