#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s ARG 3 N 0.00 1.41 -0.07 0.00 3.52 -1.26 -4.95 118.95 117.60 3i8f s ARG 3 Ca 0.00 -1.54 -0.04 0.00 -0.13 0.00 0.00 55.73 54.02 3i8f s ARG 3 Cb 0.00 -1.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.94 3i8f s ARG 3 CO 0.00 0.29 0.08 -0.11 -0.81 0.00 0.00 175.30 174.75 3i8f n LEU 4 N -0.04 -5.21 -4.72 -0.88 7.94 -1.26 -4.90 117.00 107.94 3i8f n LEU 4 Ca -0.10 1.36 -0.32 0.00 -1.11 0.00 0.00 56.01 55.84 3i8f n LEU 4 Cb 0.58 -2.19 0.13 0.00 0.53 0.00 0.00 43.42 42.47 3i8f n LEU 4 CO 0.32 -3.10 0.71 0.42 -1.11 0.00 0.00 177.39 174.62 3i8f s THR 5 N -0.39 2.58 0.45 1.96 -4.23 -1.26 -4.85 115.64 109.90 3i8f s THR 5 Ca -0.09 0.20 0.12 0.00 -1.18 0.00 0.00 61.69 60.75 3i8f s THR 5 Cb 0.01 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.58 3i8f s THR 5 CO 0.29 -0.23 2.03 0.00 -0.54 0.00 0.00 174.62 176.17 3i8f h ALA 6 N -1.32 1.75 0.01 3.99 0.00 -2.00 -1.27 119.26 120.43 3i8f h ALA 6 Ca -0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i8f h ALA 6 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i8f h ALA 6 CO 0.47 0.19 -0.01 -0.92 0.00 0.00 0.00 179.25 178.98 3i8f h TYR 7 N 0.15 -0.02 -0.61 0.00 5.03 -2.00 -2.51 116.97 117.00 3i8f h TYR 7 Ca 0.03 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.41 3i8f h TYR 7 Cb 0.17 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 3i8f h TYR 7 CO 0.00 0.12 0.41 0.93 -1.32 0.00 0.00 178.16 178.30 3i8f h GLU 8 N -0.16 0.57 0.00 1.82 5.08 -1.59 -3.19 114.58 117.12 3i8f h GLU 8 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i8f h GLU 8 Cb 0.15 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3i8f h GLU 8 CO 0.00 0.38 0.00 -2.13 -1.00 0.00 0.00 179.01 176.26 3i8f n ARG 9 N -4.48 0.00 -0.26 2.33 0.63 -0.71 -3.75 116.66 110.43 3i8f n ARG 9 Ca 0.09 0.44 -0.08 0.00 -0.92 0.00 0.00 57.85 57.38 3i8f n ARG 9 Cb 0.24 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.67 3i8f n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8f h ARG 10 N 0.00 -0.04 -5.23 -0.14 3.08 -1.54 -2.43 114.38 108.07 3i8f h ARG 10 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8f h ARG 10 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3i8f h ARG 10 CO 0.00 -0.03 0.02 1.17 -1.07 0.00 0.00 179.97 180.07 3i8f n LYS 11 N -4.54 0.37 0.00 0.04 4.81 -1.21 0.26 118.16 117.89 3i8f n LYS 11 Ca 0.01 -1.19 0.00 0.00 -0.87 0.00 0.00 58.31 56.26 3i8f n LYS 11 Cb 0.19 -3.77 0.00 0.00 0.02 0.00 0.00 35.03 31.46 3i8f n LYS 11 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i8f n PHE 12 N 19.16 0.00 -0.59 5.64 0.99 -1.11 -4.85 117.46 136.71 3i8f n PHE 12 Ca 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.78 3i8f n PHE 12 Cb 0.44 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.86 3i8f n PHE 12 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i8f n ARG 13 N 0.00 1.41 0.00 -1.08 0.00 0.14 0.98 116.66 118.11 3i8f n ARG 13 Ca 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 57.85 56.99 3i8f n ARG 13 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 30.44 3i8f n ARG 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i8f n VAL 14 N 3.31 0.00 -0.04 5.15 3.14 -1.22 -4.87 118.33 123.80 3i8f n VAL 14 Ca 0.30 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.59 3i8f n VAL 14 Cb 0.35 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.05 3i8f n VAL 14 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3i8f h ARG 15 N 0.00 -0.04 0.72 1.45 9.65 0.43 -1.32 114.38 125.27 3i8f h ARG 15 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 3i8f h ARG 15 Cb 0.00 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.60 3i8f h ARG 15 CO 0.00 0.55 -0.35 -0.91 2.80 0.00 0.00 179.97 182.07 3i8f h ASN 16 N -0.96 -0.83 -0.81 -3.80 2.35 0.28 -0.96 115.58 110.85 3i8f h ASN 16 Ca -0.00 0.03 0.13 0.00 -0.55 0.00 0.00 56.30 55.91 3i8f h ASN 16 Cb 0.61 0.21 -0.14 0.00 0.05 0.00 0.00 38.32 39.05 3i8f h ASN 16 CO 0.01 -0.59 -0.36 -0.09 -1.65 0.00 0.00 177.43 174.75 3i8f h ARG 17 N -0.97 -0.07 0.81 0.81 9.65 -1.69 -2.29 114.38 120.61 3i8f h ARG 17 Ca -0.10 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 3i8f h ARG 17 Cb 0.75 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3i8f h ARG 17 CO 0.16 -0.05 -0.43 0.82 2.80 0.00 0.00 179.97 183.27 3i8f h ILE 18 N -0.07 0.12 -3.30 1.20 2.04 -0.96 -3.39 117.51 113.16 3i8f h ILE 18 Ca 0.30 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.70 3i8f h ILE 18 Cb 0.58 0.12 0.22 0.00 -0.74 0.00 0.00 36.82 37.00 3i8f h ILE 18 CO -0.85 0.00 -0.09 0.29 0.00 0.00 0.00 178.15 177.51 3i8f n LYS 19 N -5.59 -2.07 0.00 2.37 4.01 -0.39 -2.27 118.16 114.22 3i8f n LYS 19 Ca -0.15 -0.57 0.00 0.00 -0.51 0.00 0.00 58.31 57.08 3i8f n LYS 19 Cb 0.47 -2.15 0.00 0.00 -0.51 0.00 0.00 35.03 32.83 3i8f n LYS 19 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3i8f n ARG 20 N -4.55 0.00 0.00 1.97 0.00 -1.26 -4.74 116.66 108.08 3i8f n ARG 20 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.96 3i8f n ARG 20 Cb 0.54 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.33 3i8f n ARG 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3i8f n THR 21 N 0.00 0.69 0.00 5.15 -2.24 -0.96 -4.89 114.28 112.03 3i8f n THR 21 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3i8f n THR 21 Cb 0.00 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 3i8f n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8f n GLY 22 N -0.19 2.93 3.39 3.38 0.00 -1.26 -5.07 105.19 108.38 3i8f n GLY 22 Ca 0.06 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3i8f n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 23 N 0.00 -2.47 -2.84 1.61 3.00 -1.26 -4.99 116.66 109.71 3i8f n ARG 23 Ca 0.00 -0.70 -0.40 0.00 -0.01 0.00 0.00 57.85 56.74 3i8f n ARG 23 Cb 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 32.46 30.39 3i8f n ARG 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3i8f s LEU 24 N -5.67 4.57 0.15 0.55 2.01 -1.26 -4.69 118.68 114.34 3i8f s LEU 24 Ca 0.65 1.76 -0.30 0.00 0.01 0.00 0.00 54.13 56.26 3i8f s LEU 24 Cb -0.22 -3.47 -0.07 0.00 0.01 0.00 0.00 46.19 42.45 3i8f s LEU 24 CO 0.66 0.10 0.99 -0.60 1.01 0.00 0.00 176.35 178.51 3i8f s ARG 25 N -0.73 4.70 -0.78 1.70 3.52 0.32 0.68 118.95 128.36 3i8f s ARG 25 Ca 0.41 1.53 0.02 0.00 -0.13 0.00 0.00 55.73 57.56 3i8f s ARG 25 Cb -0.24 -3.33 0.31 0.00 -1.56 0.00 0.00 34.95 30.13 3i8f s ARG 25 CO 0.29 0.23 1.23 -0.11 -0.81 0.00 0.00 175.30 176.13 3i8f n LEU 26 N 2.44 5.41 -4.73 -0.88 0.00 -1.26 -0.45 117.00 117.54 3i8f n LEU 26 Ca 0.02 -5.50 -0.40 0.00 0.00 0.00 0.00 56.01 50.13 3i8f n LEU 26 Cb 0.48 -0.84 0.02 0.00 0.00 0.00 0.00 43.42 43.08 3i8f n LEU 26 CO 0.52 2.13 0.95 -1.20 0.00 0.00 0.00 177.39 179.79 3i8f n SER 27 N 0.21 2.77 -3.65 1.96 7.64 -0.82 -2.80 113.62 118.92 3i8f n SER 27 Ca 0.35 1.07 -0.26 0.00 1.01 0.00 0.00 58.87 61.04 3i8f n SER 27 Cb 0.35 -1.55 -0.17 0.00 -1.01 0.00 0.00 64.21 61.83 3i8f n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i8f s VAL 28 N -1.23 0.09 -0.04 0.44 1.01 -1.26 -1.16 120.40 118.25 3i8f s VAL 28 Ca 0.64 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 3i8f s VAL 28 Cb -0.47 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3i8f s VAL 28 CO 0.56 -0.22 0.46 0.12 0.00 0.00 0.00 175.10 176.02 3i8f s PHE 29 N 2.06 3.64 -0.29 5.22 5.99 0.12 -4.60 117.98 130.13 3i8f s PHE 29 Ca 0.01 0.98 -0.00 0.00 0.00 0.00 0.00 56.93 57.92 3i8f s PHE 29 Cb -0.16 -2.43 0.09 0.00 0.00 0.00 0.00 43.02 40.52 3i8f s PHE 29 CO -0.08 0.43 0.06 0.50 -0.00 0.00 0.00 175.22 176.13 3i8f s ARG 30 N -0.34 0.96 0.32 10.12 3.52 -1.26 0.64 118.95 132.91 3i8f s ARG 30 Ca 0.25 -1.10 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 3i8f s ARG 30 Cb -0.16 -2.28 0.07 0.00 -1.56 0.00 0.00 34.95 31.02 3i8f s ARG 30 CO 0.13 -0.88 0.43 -1.13 -0.81 0.00 0.00 175.30 173.04 3i8f n SER 31 N 4.76 0.24 -0.11 -2.12 3.41 0.17 -4.96 113.62 115.00 3i8f n SER 31 Ca -0.04 -1.28 -0.11 0.00 -0.26 0.00 0.00 58.87 57.18 3i8f n SER 31 Cb 0.43 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3i8f n SER 31 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i8f h LEU 32 N 0.00 0.54 0.00 1.04 3.38 -2.05 -3.31 115.31 114.91 3i8f h LEU 32 Ca -0.14 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i8f h LEU 32 Cb 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i8f h LEU 32 CO 0.12 0.72 -1.12 0.29 0.09 0.00 0.00 178.44 178.54 3i8f n LYS 33 N -4.55 0.90 -4.29 1.13 5.02 -1.26 -5.04 118.16 110.08 3i8f n LYS 33 Ca -0.02 -0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 3i8f n LYS 33 Cb 0.27 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3i8f n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i8f s HIS 34 N -2.86 1.58 -0.13 2.13 3.76 -1.25 -4.98 115.29 113.54 3i8f s HIS 34 Ca 0.03 -1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 53.39 3i8f s HIS 34 Cb 0.13 -0.73 0.07 0.00 1.11 0.00 0.00 32.58 33.15 3i8f s HIS 34 CO 0.75 -0.70 0.22 -1.50 -0.85 0.00 0.00 174.74 172.66 3i8f s ILE 35 N -3.64 -0.35 -0.12 0.60 2.07 -1.26 0.43 121.20 118.92 3i8f s ILE 35 Ca 0.38 0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 3i8f s ILE 35 Cb 0.04 -0.45 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 3i8f s ILE 35 CO 0.21 0.06 -0.16 -0.31 -1.91 0.00 0.00 174.94 172.83 3i8f s TYR 36 N 2.36 2.74 0.21 3.50 1.51 0.21 -1.09 117.35 126.79 3i8f s TYR 36 Ca 0.03 -0.79 0.06 0.00 -1.01 0.00 0.00 57.07 55.37 3i8f s TYR 36 Cb -0.13 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3i8f s TYR 36 CO -0.08 -0.29 0.15 0.00 -1.11 0.00 0.00 175.55 174.21 3i8f s ALA 37 N 0.39 3.53 -0.28 3.71 0.00 -0.36 0.12 121.76 128.87 3i8f s ALA 37 Ca -0.13 -1.35 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 3i8f s ALA 37 Cb -0.16 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 21.77 3i8f s ALA 37 CO 0.06 0.37 0.73 -1.14 0.00 0.00 0.00 175.76 175.78 3i8f s GLN 38 N -3.47 0.67 -0.57 0.00 0.74 -0.31 -3.04 119.66 113.68 3i8f s GLN 38 Ca 0.32 1.15 -0.19 0.00 0.05 0.00 0.00 55.36 56.69 3i8f s GLN 38 Cb -0.09 0.13 0.09 0.00 1.10 0.00 0.00 33.01 34.25 3i8f s GLN 38 CO 0.24 -0.14 0.69 0.42 -0.55 0.00 0.00 175.29 175.94 3i8f s ILE 39 N 1.59 4.83 -0.11 -2.34 -1.09 0.11 -1.95 121.20 122.24 3i8f s ILE 39 Ca -0.10 -0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 57.42 3i8f s ILE 39 Cb -0.05 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 3i8f s ILE 39 CO -0.19 -1.04 0.14 -0.63 -1.23 0.00 0.00 174.94 171.98 3i8f s ILE 40 N 2.70 5.44 -0.47 2.92 1.01 0.41 0.43 121.20 133.64 3i8f s ILE 40 Ca 0.13 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.97 3i8f s ILE 40 Cb -0.23 -3.38 0.12 0.00 0.01 0.00 0.00 42.46 38.98 3i8f s ILE 40 CO 0.08 0.59 0.20 -0.62 0.00 0.00 0.00 174.94 175.20 3i8f s ASP 41 N -1.10 4.42 1.14 3.58 2.15 -0.48 -0.53 116.67 125.85 3i8f s ASP 41 Ca 0.16 -2.79 -0.08 0.00 0.43 0.00 0.00 52.55 50.27 3i8f s ASP 41 Cb -0.12 -1.63 0.12 0.00 -0.30 0.00 0.00 42.92 40.99 3i8f s ASP 41 CO 0.05 -0.27 0.32 0.47 -0.17 0.00 0.00 175.17 175.57 3i8f n ASP 42 N 3.41 -2.30 0.00 -0.34 9.92 -1.26 -1.38 116.55 124.60 3i8f n ASP 42 Ca 0.05 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 3i8f n ASP 42 Cb 0.35 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 3i8f n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3i8f n GLU 43 N -3.08 0.00 -0.09 -1.24 1.02 -1.26 -3.85 120.64 112.14 3i8f n GLU 43 Ca 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 3i8f n GLU 43 Cb 0.20 -0.07 -0.14 0.00 -0.02 0.00 0.00 31.44 31.41 3i8f n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i8f n LYS 44 N 0.00 0.98 -2.81 3.49 4.81 -1.21 -5.04 118.16 118.39 3i8f n LYS 44 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3i8f n LYS 44 Cb 0.00 -1.47 0.03 0.00 0.02 0.00 0.00 35.03 33.61 3i8f n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8f n GLY 45 N 1.93 0.45 2.95 3.14 0.00 -0.48 -5.06 105.19 108.11 3i8f n GLY 45 Ca -0.31 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 3i8f n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 46 N -3.10 0.02 0.31 1.61 1.01 -1.13 -5.00 120.40 114.12 3i8f s VAL 46 Ca 0.17 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 3i8f s VAL 46 Cb -0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 36.08 3i8f s VAL 46 CO 0.23 -0.09 0.81 -0.89 0.00 0.00 0.00 175.10 175.17 3i8f s THR 47 N -0.27 4.49 -0.11 3.92 2.01 -1.26 -1.39 115.64 123.04 3i8f s THR 47 Ca -0.03 1.34 0.03 0.00 0.31 0.00 0.00 61.69 63.34 3i8f s THR 47 Cb -0.02 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 3i8f s THR 47 CO 0.00 -0.01 -0.07 0.18 -0.69 0.00 0.00 174.62 174.04 3i8f n LEU 48 N 0.15 2.19 -4.11 4.42 4.32 0.17 -4.93 117.00 119.21 3i8f n LEU 48 Ca 0.02 -0.05 -0.16 0.00 -0.02 0.00 0.00 56.01 55.80 3i8f n LEU 48 Cb 0.52 -0.24 -0.12 0.00 -1.62 0.00 0.00 43.42 41.96 3i8f n LEU 48 CO 0.42 0.57 -0.43 -0.69 -1.22 0.00 0.00 177.39 176.04 3i8f s VAL 49 N -2.23 0.82 0.14 4.08 1.01 -1.22 -5.00 120.40 118.00 3i8f s VAL 49 Ca -0.13 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 3i8f s VAL 49 Cb 0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3i8f s VAL 49 CO 0.30 -0.24 0.15 -0.94 0.00 0.00 0.00 175.10 174.37 3i8f s SER 50 N -1.48 0.20 0.00 3.32 1.04 -1.26 0.09 113.70 115.61 3i8f s SER 50 Ca -0.05 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.34 3i8f s SER 50 Cb -0.09 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3i8f s SER 50 CO 0.01 -0.79 0.00 0.00 0.98 0.00 0.00 173.24 173.44 3i8f n ALA 51 N -0.14 0.00 -2.68 5.32 0.00 -1.17 -4.68 120.51 117.16 3i8f n ALA 51 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 3i8f n ALA 51 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 3i8f n ALA 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i8f s SER 52 N 0.00 4.01 -0.02 0.00 0.01 -1.26 -1.22 113.70 115.22 3i8f s SER 52 Ca 0.00 -1.50 -0.21 0.00 1.31 0.00 0.00 55.95 55.55 3i8f s SER 52 Cb 0.00 0.04 -0.24 0.00 0.21 0.00 0.00 66.02 66.03 3i8f s SER 52 CO 0.00 -0.64 1.07 -1.28 0.41 0.00 0.00 173.24 172.79 3i8f h SER 53 N 1.56 0.43 -0.02 2.44 0.87 -1.50 -3.34 113.55 113.98 3i8f h SER 53 Ca -0.44 -0.77 -0.03 0.00 -1.23 0.00 0.00 61.79 59.32 3i8f h SER 53 Cb 1.28 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3i8f h SER 53 CO 0.78 1.15 -0.11 0.25 -0.53 0.00 0.00 176.83 178.36 3i8f h LEU 54 N -0.24 0.14 -1.86 2.23 5.85 -1.93 -3.27 115.31 116.23 3i8f h LEU 54 Ca -0.06 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.00 3i8f h LEU 54 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3i8f h LEU 54 CO 0.10 0.77 0.00 0.00 -0.34 0.00 0.00 178.44 178.97 3i8f n ALA 55 N -2.46 1.07 0.00 1.25 0.00 -1.25 0.58 120.51 119.70 3i8f n ALA 55 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i8f n ALA 55 Cb 0.39 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3i8f n ALA 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i8f n LEU 56 N 0.75 0.00 0.00 0.00 -0.00 -1.26 -4.72 117.00 111.77 3i8f n LEU 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8f n LEU 56 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8f n LEU 56 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 177.39 179.68 3i8f n LYS 57 N 0.00 0.00 -4.14 1.47 2.85 0.20 -4.96 118.16 113.59 3i8f n LYS 57 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 3i8f n LYS 57 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 3i8f n LYS 57 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 3i8f s LEU 58 N 0.00 1.00 0.00 -5.58 2.34 -1.25 -5.08 118.68 110.12 3i8f s LEU 58 Ca 0.00 -1.24 -0.14 0.00 0.06 0.00 0.00 54.13 52.81 3i8f s LEU 58 Cb 0.00 0.74 0.05 0.00 -0.56 0.00 0.00 46.19 46.42 3i8f s LEU 58 CO 0.00 -0.90 0.69 1.17 -1.06 0.00 0.00 176.35 176.25 3i8f n LYS 59 N -0.28 0.56 0.00 1.48 4.81 -1.26 -4.95 118.16 118.53 3i8f n LYS 59 Ca -0.00 -1.21 0.00 0.00 -0.87 0.00 0.00 58.31 56.23 3i8f n LYS 59 Cb 0.65 1.59 0.00 0.00 0.02 0.00 0.00 35.03 37.29 3i8f n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8f n GLY 60 N -0.48 3.04 0.00 3.14 0.00 -1.26 -4.92 105.19 104.71 3i8f n GLY 60 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i8f n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i8f n ASN 61 N 0.00 0.00 -0.02 1.61 2.85 -1.26 -5.01 115.26 113.43 3i8f n ASN 61 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3i8f n ASN 61 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 3i8f n ASN 61 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i8f n LYS 62 N 0.00 -0.02 0.10 1.20 4.76 -1.26 -0.05 118.16 122.89 3i8f n LYS 62 Ca 0.00 0.24 -0.13 0.00 -2.87 0.00 0.00 58.31 55.55 3i8f n LYS 62 Cb 0.00 -0.36 -0.06 0.00 -1.84 0.00 0.00 35.03 32.77 3i8f n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3i8f h THR 63 N 0.00 0.32 -0.46 -0.18 1.35 -1.93 0.12 112.91 112.13 3i8f h THR 63 Ca 0.01 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 3i8f h THR 63 Cb 0.02 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 66.73 3i8f h THR 63 CO -0.04 0.00 0.31 -0.33 -0.25 0.00 0.00 175.52 175.21 3i8f h GLU 64 N -0.52 0.33 -0.32 4.72 5.08 -1.24 0.12 114.58 122.74 3i8f h GLU 64 Ca 0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3i8f h GLU 64 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3i8f h GLU 64 CO -0.21 0.22 0.14 0.28 -1.00 0.00 0.00 179.01 178.44 3i8f h VAL 65 N 0.34 1.17 0.55 3.13 2.07 0.49 -2.98 116.25 121.02 3i8f h VAL 65 Ca 0.20 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3i8f h VAL 65 Cb 0.37 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3i8f h VAL 65 CO -0.05 0.18 -0.48 0.00 0.02 0.00 0.00 177.57 177.25 3i8f h ALA 66 N 0.99 -1.17 -0.90 1.67 0.00 0.12 -1.68 119.26 118.28 3i8f h ALA 66 Ca 0.11 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.06 3i8f h ALA 66 Cb 0.16 0.68 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 3i8f h ALA 66 CO -0.01 -1.18 0.08 -0.09 0.00 0.00 0.00 179.25 178.06 3i8f h ARG 67 N -1.00 0.08 0.57 0.00 2.43 -1.27 -0.39 114.38 114.80 3i8f h ARG 67 Ca -0.07 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3i8f h ARG 67 Cb 0.85 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3i8f h ARG 67 CO -0.02 0.05 -0.27 1.96 -1.51 0.00 0.00 179.97 180.18 3i8f h GLN 68 N 0.08 -0.74 -0.21 0.20 4.20 -1.32 -1.25 115.11 116.07 3i8f h GLN 68 Ca 0.55 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.37 3i8f h GLN 68 Cb 1.10 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 3i8f h GLN 68 CO -0.79 -0.45 0.50 -0.24 -0.67 0.00 0.00 178.83 177.18 3i8f h VAL 69 N -0.88 0.12 0.17 -0.54 3.04 -0.18 0.36 116.25 118.35 3i8f h VAL 69 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 3i8f h VAL 69 Cb 0.63 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 3i8f h VAL 69 CO 0.13 0.00 -0.08 1.23 -1.01 0.00 0.00 177.57 177.84 3i8f h GLY 70 N 0.00 -0.24 -0.18 3.17 0.00 -0.52 -2.34 103.07 102.95 3i8f h GLY 70 Ca 0.10 0.09 0.27 0.00 0.00 0.00 0.00 47.33 47.79 3i8f h GLY 70 CO -0.00 -0.09 0.67 3.21 0.00 0.00 0.00 176.54 180.33 3i8f h ARG 71 N -1.04 0.38 0.31 4.80 3.08 0.66 0.44 114.38 123.01 3i8f h ARG 71 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3i8f h ARG 71 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3i8f h ARG 71 CO 0.04 0.25 -0.15 0.00 -1.07 0.00 0.00 179.97 179.04 3i8f h ALA 72 N 1.63 -0.41 -0.88 0.04 0.00 -0.55 -0.87 119.26 118.21 3i8f h ALA 72 Ca 0.61 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.48 3i8f h ALA 72 Cb 1.54 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3i8f h ALA 72 CO -0.31 -0.67 0.57 1.25 0.00 0.00 0.00 179.25 180.09 3i8f h LEU 73 N -0.53 0.81 0.00 0.00 7.12 0.27 -2.85 115.31 120.12 3i8f h LEU 73 Ca -0.04 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3i8f h LEU 73 Cb 0.39 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 3i8f h LEU 73 CO 0.07 0.48 0.00 0.00 -0.13 0.00 0.00 178.44 178.86 3i8f n ALA 74 N -2.41 -0.25 -0.15 1.25 0.00 0.80 -1.83 120.51 117.92 3i8f n ALA 74 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 3i8f n ALA 74 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 3i8f n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8f n GLU 75 N -1.36 -0.16 0.22 0.00 1.02 -0.36 0.37 120.64 120.38 3i8f n GLU 75 Ca 0.00 0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 57.51 3i8f n GLU 75 Cb 0.00 -0.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.54 3i8f n GLU 75 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i8f h LYS 76 N 0.00 -0.82 -0.03 3.49 1.57 -1.57 -2.76 116.57 116.44 3i8f h LYS 76 Ca 0.06 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3i8f h LYS 76 Cb 0.15 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3i8f h LYS 76 CO -0.33 -0.55 -0.05 0.00 -0.57 0.00 0.00 179.45 177.95 3i8f h ALA 77 N -0.56 -0.33 -0.79 3.86 0.00 0.70 -1.45 119.26 120.68 3i8f h ALA 77 Ca -0.03 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.05 3i8f h ALA 77 Cb 0.78 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 19.17 3i8f h ALA 77 CO -0.13 -0.35 -0.16 1.28 0.00 0.00 0.00 179.25 179.88 3i8f n LEU 78 N -2.93 -0.25 -0.24 0.00 4.77 -0.80 0.13 117.00 117.68 3i8f n LEU 78 Ca -0.00 1.35 0.05 0.00 -0.03 0.00 0.00 56.01 57.37 3i8f n LEU 78 Cb 0.03 -0.42 0.16 0.00 -2.33 0.00 0.00 43.42 40.86 3i8f n LEU 78 CO 0.00 -1.31 0.90 0.00 -1.33 0.00 0.00 177.39 175.65 3i8f h ALA 79 N 1.57 0.86 0.00 -1.18 0.00 -0.96 0.13 119.26 119.68 3i8f h ALA 79 Ca 0.39 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3i8f h ALA 79 Cb 0.64 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i8f h ALA 79 CO -0.80 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 179.37 3i8f n LEU 80 N -5.20 0.00 0.00 0.00 4.77 0.36 -4.86 117.00 112.06 3i8f n LEU 80 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3i8f n LEU 80 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3i8f n LEU 80 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3i8f n GLY 81 N 0.50 3.19 3.64 -0.72 0.00 0.46 -5.00 105.19 107.25 3i8f n GLY 81 Ca 0.12 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 3i8f n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8f n ILE 82 N -1.30 0.42 0.00 -0.61 2.08 -1.22 -4.84 119.36 113.88 3i8f n ILE 82 Ca 0.00 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.17 3i8f n ILE 82 Cb 0.00 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.21 3i8f n ILE 82 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3i8f n LYS 83 N 6.76 0.00 -2.61 0.38 4.81 -1.26 -3.50 118.16 122.74 3i8f n LYS 83 Ca 0.28 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.31 3i8f n LYS 83 Cb 0.24 -0.02 -0.04 0.00 0.02 0.00 0.00 35.03 35.24 3i8f n LYS 83 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3i8f s GLN 84 N -0.41 4.59 0.11 1.64 -0.21 -1.26 -2.51 119.66 121.60 3i8f s GLN 84 Ca 0.00 1.57 -0.05 0.00 0.02 0.00 0.00 55.36 56.90 3i8f s GLN 84 Cb 0.00 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.62 3i8f s GLN 84 CO 0.00 0.03 0.14 0.14 -2.12 0.00 0.00 175.29 173.48 3i8f s VAL 85 N 0.37 0.13 0.00 1.09 -7.23 -1.26 -4.33 120.40 109.17 3i8f s VAL 85 Ca 0.51 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3i8f s VAL 85 Cb -0.25 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.04 3i8f s VAL 85 CO 0.31 -0.60 0.00 0.00 -0.31 0.00 0.00 175.10 174.50 3i8f n ALA 86 N -0.07 0.00 0.00 1.32 0.00 0.22 -4.79 120.51 117.19 3i8f n ALA 86 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i8f n ALA 86 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3i8f n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i8f n PHE 87 N 0.00 0.00 0.00 0.00 7.35 -1.26 -4.74 117.46 118.80 3i8f n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3i8f n PHE 87 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3i8f n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3i8f n ASP 88 N 0.00 0.00 0.00 -2.13 4.64 -1.12 -4.87 116.55 113.07 3i8f n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i8f n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i8f n ASP 88 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3i8f n ARG 89 N 0.00 0.00 0.00 -0.67 1.85 -1.26 -4.89 116.66 111.68 3i8f n ARG 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i8f n ARG 89 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i8f n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i8f n GLY 90 N 0.00 0.74 0.00 2.89 0.00 -1.26 0.14 105.19 107.69 3i8f n GLY 90 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3i8f n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8f n PRO 91 N 6.23 0.28 -2.59 1.61 -0.04 -1.26 -4.48 135.00 134.75 3i8f n PRO 91 Ca 0.00 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 3i8f n PRO 91 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3i8f n PRO 91 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i8f s TYR 92 N -2.60 3.01 0.31 0.54 2.02 0.36 -4.94 117.35 116.06 3i8f s TYR 92 Ca 0.20 1.07 -0.29 0.00 -0.37 0.00 0.00 57.07 57.68 3i8f s TYR 92 Cb 0.14 -3.82 -0.10 0.00 -0.40 0.00 0.00 41.96 37.78 3i8f s TYR 92 CO 0.33 -1.03 1.35 0.21 -1.57 0.00 0.00 175.55 174.84 3i8f s LYS 93 N 3.85 4.31 -0.58 -0.62 2.20 -1.26 -4.72 119.74 122.93 3i8f s LYS 93 Ca 0.48 2.26 -0.27 0.00 -0.36 0.00 0.00 55.97 58.09 3i8f s LYS 93 Cb -0.13 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 3i8f s LYS 93 CO 0.19 -0.27 2.46 0.98 -0.36 0.00 0.00 175.35 178.34 3i8f n TYR 94 N 1.17 1.28 -3.57 4.03 9.36 -1.26 -4.81 117.16 123.38 3i8f n TYR 94 Ca 0.02 0.15 -0.10 0.00 3.32 0.00 0.00 57.90 61.29 3i8f n TYR 94 Cb 0.41 -2.59 -0.04 0.00 -0.63 0.00 0.00 39.34 36.49 3i8f n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3i8f s HIS 95 N 11.85 -0.35 0.00 2.98 2.46 -1.26 -4.88 115.29 126.09 3i8f s HIS 95 Ca 1.03 0.53 0.00 0.00 0.47 0.00 0.00 55.06 57.10 3i8f s HIS 95 Cb -0.33 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.59 3i8f s HIS 95 CO 0.29 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 172.60 3i8f n GLY 96 N 0.52 0.27 0.00 1.59 0.00 -1.26 -2.19 105.19 104.12 3i8f n GLY 96 Ca -0.09 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i8f n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 97 N 0.00 0.00 -0.16 1.61 5.12 -1.26 0.17 116.66 122.14 3i8f n ARG 97 Ca 0.00 0.61 -0.04 0.00 -1.93 0.00 0.00 57.85 56.49 3i8f n ARG 97 Cb 0.00 -1.20 0.05 0.00 -1.16 0.00 0.00 32.46 30.15 3i8f n ARG 97 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3i8f h VAL 98 N 0.00 0.92 -0.50 1.55 -1.51 -1.83 -0.13 116.25 114.76 3i8f h VAL 98 Ca 0.00 -0.15 0.09 0.00 -1.23 0.00 0.00 66.70 65.41 3i8f h VAL 98 Cb 0.00 0.44 -0.07 0.00 -2.13 0.00 0.00 31.29 29.53 3i8f h VAL 98 CO 0.00 0.08 0.08 0.50 -1.23 0.00 0.00 177.57 177.00 3i8f h LYS 99 N 0.44 0.20 -0.64 5.19 3.64 -1.16 0.23 116.57 124.47 3i8f h LYS 99 Ca 0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3i8f h LYS 99 Cb 0.16 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3i8f h LYS 99 CO -0.17 0.13 0.26 0.00 -2.27 0.00 0.00 179.45 177.40 3i8f h ALA 100 N 1.40 1.26 -0.65 5.00 0.00 0.23 -1.52 119.26 124.98 3i8f h ALA 100 Ca 0.25 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3i8f h ALA 100 Cb 0.35 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3i8f h ALA 100 CO -0.34 0.55 0.27 1.25 0.00 0.00 0.00 179.25 180.98 3i8f h LEU 101 N 0.92 0.31 -1.32 0.00 7.12 0.12 -0.45 115.31 122.02 3i8f h LEU 101 Ca 0.22 0.07 0.10 0.00 0.13 0.00 0.00 57.88 58.40 3i8f h LEU 101 Cb 0.17 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.27 3i8f h LEU 101 CO -0.02 0.18 0.53 0.00 -0.13 0.00 0.00 178.44 179.00 3i8f h ALA 102 N 1.43 1.74 0.00 1.25 0.00 -0.01 0.68 119.26 124.35 3i8f h ALA 102 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i8f h ALA 102 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i8f h ALA 102 CO -0.30 0.08 -0.00 0.93 0.00 0.00 0.00 179.25 179.97 3i8f h GLU 103 N 0.76 0.00 -0.57 0.00 4.39 -0.94 -1.01 114.58 117.20 3i8f h GLU 103 Ca 0.38 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 3i8f h GLU 103 Cb 0.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3i8f h GLU 103 CO -0.15 0.00 0.29 0.78 -1.16 0.00 0.00 179.01 178.77 3i8f h GLY 104 N 0.00 0.86 1.06 -3.84 0.00 0.60 -2.23 103.07 99.53 3i8f h GLY 104 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3i8f h GLY 104 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.93 3i8f n ALA 105 N -2.32 1.76 -1.77 3.60 0.00 -0.39 -2.77 120.51 118.63 3i8f n ALA 105 Ca 0.03 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 3i8f n ALA 105 Cb 0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3i8f n ALA 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i8f s ARG 106 N -2.06 4.19 0.00 0.00 0.52 -0.84 -4.45 118.95 116.31 3i8f s ARG 106 Ca 0.11 1.96 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 3i8f s ARG 106 Cb 0.05 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.68 3i8f s ARG 106 CO 0.09 -0.23 0.00 -1.91 0.02 0.00 0.00 175.30 173.27 3i8f n GLU 107 N 0.40 0.00 0.00 3.54 4.07 -1.26 -4.91 120.64 122.48 3i8f n GLU 107 Ca 0.02 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 3i8f n GLU 107 Cb 0.45 -0.33 0.00 0.00 -0.06 0.00 0.00 31.44 31.50 3i8f n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i8f n GLY 108 N -0.15 3.69 6.44 8.31 0.00 -1.26 -4.84 105.19 117.38 3i8f n GLY 108 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i8f n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 109 N 0.00 0.52 7.00 -0.02 0.00 -1.04 -4.72 105.19 106.92 3i8f n GLY 109 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3i8f n GLY 109 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8f n LEU 110 N 0.00 0.00 -2.59 0.99 0.00 -1.22 -4.86 117.00 109.31 3i8f n LEU 110 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 3i8f n LEU 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3i8f n LEU 110 CO 0.00 0.00 0.20 1.21 0.00 0.00 0.00 177.39 178.80 3i8f n GLU 111 N 13.28 -1.15 0.00 1.96 2.13 -1.26 -4.66 120.64 130.93 3i8f n GLU 111 Ca 0.00 1.34 0.00 0.00 0.66 0.00 0.00 57.16 59.16 3i8f n GLU 111 Cb 0.00 -4.59 0.00 0.00 0.27 0.00 0.00 31.44 27.12 3i8f n GLU 111 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69