#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4y s PHE 3 N 0.00 -0.01 -0.08 0.00 -0.71 -1.26 -0.85 117.98 115.07 1h4y s PHE 3 Ca 0.00 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 55.58 1h4y s PHE 3 Cb 0.00 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.90 1h4y s PHE 3 CO 0.00 -0.59 -0.14 -0.65 -1.34 0.00 0.00 175.22 172.49 1h4y s GLN 4 N -3.64 1.98 -0.17 1.99 -0.21 -0.31 -4.97 119.66 114.33 1h4y s GLN 4 Ca 0.03 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.86 1h4y s GLN 4 Cb 0.03 -1.62 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 1h4y s GLN 4 CO -0.10 0.03 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.58 1h4y s LEU 5 N 0.68 3.35 -0.04 2.90 1.43 -1.26 -0.67 118.68 125.07 1h4y s LEU 5 Ca -0.14 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1h4y s LEU 5 Cb -0.16 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.26 1h4y s LEU 5 CO 0.04 0.14 0.06 -0.70 0.23 0.00 0.00 176.35 176.11 1h4y s GLU 6 N 0.55 -0.04 -0.32 1.70 2.12 -0.27 -5.00 118.70 117.44 1h4y s GLU 6 Ca -0.01 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 1h4y s GLU 6 Cb -0.14 -0.53 -0.00 0.00 0.26 0.00 0.00 34.13 33.72 1h4y s GLU 6 CO 0.02 -0.32 1.43 -1.64 -0.54 0.00 0.00 175.26 174.21 1h4y s MET 7 N 2.12 3.75 -0.03 4.30 -1.94 -1.26 -0.14 119.30 126.10 1h4y s MET 7 Ca 0.04 1.25 -0.18 0.00 -1.71 0.00 0.00 55.69 55.09 1h4y s MET 7 Cb -0.12 -3.97 -0.32 0.00 2.01 0.00 0.00 34.83 32.42 1h4y s MET 7 CO -0.03 -1.33 0.86 0.28 -0.01 0.00 0.00 175.02 174.78 1h4y h VAL 8 N 6.20 1.32 -2.64 -6.03 2.07 -1.51 -3.48 116.25 112.18 1h4y h VAL 8 Ca -0.29 -2.57 -0.54 0.00 0.82 0.00 0.00 66.70 64.13 1h4y h VAL 8 Cb 1.12 3.05 -0.13 0.00 -1.52 0.00 0.00 31.29 33.80 1h4y h VAL 8 CO 1.04 0.76 -0.54 0.42 0.02 0.00 0.00 177.57 179.27 1h4y s THR 9 N -2.50 0.73 0.39 2.57 -4.23 -1.15 -4.99 115.64 106.47 1h4y s THR 9 Ca -0.13 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 58.76 1h4y s THR 9 Cb 0.03 -2.44 0.39 0.00 1.34 0.00 0.00 72.50 71.82 1h4y s THR 9 CO 0.86 0.00 2.17 0.03 -0.54 0.00 0.00 174.62 177.15 1h4y h ARG 10 N 1.86 0.00 -0.00 3.99 2.47 -1.95 -2.92 114.38 117.83 1h4y h ARG 10 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1h4y h ARG 10 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1h4y h ARG 10 CO 0.60 0.00 -0.09 -0.85 0.56 0.00 0.00 179.97 180.19 1h4y n GLU 11 N -2.91 4.21 -4.48 0.04 0.28 -1.26 -3.91 120.64 112.61 1h4y n GLU 11 Ca -0.02 -0.19 -0.30 0.00 -0.16 0.00 0.00 57.16 56.49 1h4y n GLU 11 Cb 0.11 -0.75 -0.17 0.00 1.43 0.00 0.00 31.44 32.06 1h4y n GLU 11 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1h4y s THR 12 N -0.95 1.70 -0.05 3.84 2.01 -1.10 -0.61 115.64 120.47 1h4y s THR 12 Ca 0.02 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1h4y s THR 12 Cb 0.02 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1h4y s THR 12 CO 0.09 0.48 -0.19 0.54 -0.69 0.00 0.00 174.62 174.84 1h4y s VAL 13 N 0.99 2.58 -0.19 3.82 0.11 -0.51 -1.16 120.40 126.04 1h4y s VAL 13 Ca -0.05 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.00 1h4y s VAL 13 Cb -0.15 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 1h4y s VAL 13 CO -0.03 0.58 0.17 -0.69 -3.33 0.00 0.00 175.10 171.80 1h4y s VAL 14 N -0.44 5.38 -0.33 2.04 1.01 0.80 -1.46 120.40 127.40 1h4y s VAL 14 Ca 0.05 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1h4y s VAL 14 Cb -0.12 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.81 1h4y s VAL 14 CO 0.01 0.43 0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1h4y s ILE 15 N 0.39 3.15 -0.19 2.22 1.01 -0.28 -1.11 121.20 126.39 1h4y s ILE 15 Ca 0.10 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.07 1h4y s ILE 15 Cb -0.12 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1h4y s ILE 15 CO -0.00 -0.27 0.33 -0.13 0.00 0.00 0.00 174.94 174.86 1h4y s ARG 16 N 1.24 4.20 -0.02 2.79 0.52 0.15 -0.24 118.95 127.60 1h4y s ARG 16 Ca -0.01 0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1h4y s ARG 16 Cb -0.20 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1h4y s ARG 16 CO -0.01 0.09 -0.08 -0.51 0.02 0.00 0.00 175.30 174.81 1h4y s LEU 17 N 0.91 3.09 -0.06 2.53 1.43 -0.83 -1.16 118.68 124.59 1h4y s LEU 17 Ca 0.17 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1h4y s LEU 17 Cb -0.14 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1h4y s LEU 17 CO 0.06 0.31 -0.04 -0.36 0.23 0.00 0.00 176.35 176.55 1h4y s PHE 18 N -0.92 0.85 0.00 0.29 0.08 -0.03 -2.98 117.98 115.27 1h4y s PHE 18 Ca 0.15 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1h4y s PHE 18 Cb -0.11 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1h4y s PHE 18 CO 0.05 -0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 1h4y n GLY 19 N 4.50 1.99 3.06 4.36 0.00 -0.50 -0.71 105.19 117.90 1h4y n GLY 19 Ca -0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1h4y n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4y s GLU 20 N 0.00 0.52 -0.04 1.61 2.02 -1.26 -0.77 118.70 120.78 1h4y s GLU 20 Ca 0.00 -0.76 -0.17 0.00 0.02 0.00 0.00 54.97 54.06 1h4y s GLU 20 Cb 0.00 -0.27 -0.05 0.00 0.10 0.00 0.00 34.13 33.91 1h4y s GLU 20 CO 0.00 0.04 0.45 -0.51 0.02 0.00 0.00 175.26 175.26 1h4y s LEU 21 N -1.60 4.40 0.55 1.80 1.43 -1.26 -3.90 118.68 120.10 1h4y s LEU 21 Ca -0.10 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 1h4y s LEU 21 Cb -0.10 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.51 1h4y s LEU 21 CO 0.00 0.19 0.50 1.51 0.23 0.00 0.00 176.35 178.78 1h4y s ASP 22 N -0.39 4.74 0.45 2.29 1.47 -1.26 -4.95 116.67 119.02 1h4y s ASP 22 Ca 0.25 -1.16 0.14 0.00 1.18 0.00 0.00 52.55 52.96 1h4y s ASP 22 Cb -0.16 0.40 1.03 0.00 -0.34 0.00 0.00 42.92 43.85 1h4y s ASP 22 CO 0.13 -1.17 2.02 1.12 0.68 0.00 0.00 175.17 177.95 1h4y h HIS 23 N 0.61 0.05 -0.34 2.11 2.07 -1.99 -1.39 115.15 116.27 1h4y h HIS 23 Ca -0.35 -0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.07 1h4y h HIS 23 Cb 1.30 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 1h4y h HIS 23 CO 0.85 0.17 -0.15 0.45 -3.07 0.00 0.00 177.93 176.18 1h4y h HIS 24 N 0.05 0.80 -0.37 6.12 3.86 -1.99 -1.29 115.15 122.33 1h4y h HIS 24 Ca 0.01 -0.20 -0.14 0.00 -1.16 0.00 0.00 60.37 58.88 1h4y h HIS 24 Cb 0.24 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1h4y h HIS 24 CO 0.00 0.90 -0.32 0.00 0.86 0.00 0.00 177.93 179.38 1h4y h ALA 25 N 0.78 0.54 -0.60 2.45 0.00 -1.84 -1.37 119.26 119.22 1h4y h ALA 25 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1h4y h ALA 25 Cb 0.69 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1h4y h ALA 25 CO 0.05 0.59 0.38 0.28 0.00 0.00 0.00 179.25 180.54 1h4y h VAL 26 N 0.68 1.10 -0.38 0.00 2.07 -1.14 -1.52 116.25 117.05 1h4y h VAL 26 Ca 0.07 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1h4y h VAL 26 Cb 0.90 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1h4y h VAL 26 CO 0.08 0.14 -0.31 -0.08 0.02 0.00 0.00 177.57 177.42 1h4y h GLU 27 N 0.75 0.84 -0.67 1.57 4.57 -1.00 -0.82 114.58 119.82 1h4y h GLU 27 Ca 0.23 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1h4y h GLU 27 Cb -0.01 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1h4y h GLU 27 CO -0.08 1.03 0.26 1.96 -1.18 0.00 0.00 179.01 181.00 1h4y h GLN 28 N 0.71 1.01 -0.18 1.92 4.20 -0.95 -0.19 115.11 121.63 1h4y h GLN 28 Ca 0.08 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1h4y h GLN 28 Cb 0.87 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1h4y h GLN 28 CO 0.08 0.84 0.03 0.82 -0.67 0.00 0.00 178.83 179.92 1h4y h ILE 29 N 0.95 1.23 -0.39 2.54 2.04 -1.19 -1.10 117.51 121.60 1h4y h ILE 29 Ca 0.22 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1h4y h ILE 29 Cb 0.21 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1h4y h ILE 29 CO -0.02 0.22 0.22 -0.09 0.00 0.00 0.00 178.15 178.49 1h4y h ARG 30 N 0.08 0.43 0.24 2.37 2.43 -0.96 -0.70 114.38 118.26 1h4y h ARG 30 Ca 0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1h4y h ARG 30 Cb 0.32 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1h4y h ARG 30 CO 0.00 0.29 -0.11 0.00 -1.51 0.00 0.00 179.97 178.64 1h4y h ALA 31 N 1.18 -0.32 -0.44 2.80 0.00 -0.90 -0.78 119.26 120.80 1h4y h ALA 31 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1h4y h ALA 31 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h4y h ALA 31 CO -0.08 -0.64 -0.10 0.87 0.00 0.00 0.00 179.25 179.31 1h4y h LYS 32 N -0.41 0.85 0.17 0.00 1.57 -1.13 -2.61 116.57 115.00 1h4y h LYS 32 Ca -0.03 -0.32 -0.31 0.00 -1.87 0.00 0.00 60.65 58.12 1h4y h LYS 32 Cb 0.31 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 32.60 1h4y h LYS 32 CO 0.05 0.95 -1.33 0.82 -0.57 0.00 0.00 179.45 179.38 1h4y h ILE 33 N 0.68 1.29 -0.88 1.86 1.08 -1.15 -1.88 117.51 118.52 1h4y h ILE 33 Ca 0.11 -2.57 0.06 0.00 -0.39 0.00 0.00 64.86 62.08 1h4y h ILE 33 Cb 0.63 2.82 -0.06 0.00 -3.07 0.00 0.00 36.82 37.14 1h4y h ILE 33 CO 0.04 0.78 0.55 0.77 -0.69 0.00 0.00 178.15 179.60 1h4y h SER 34 N 0.23 0.87 -0.41 1.72 4.64 -1.18 -1.01 113.55 118.40 1h4y h SER 34 Ca -0.21 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1h4y h SER 34 Cb 2.01 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.91 1h4y h SER 34 CO 0.25 0.55 0.17 0.74 -0.87 0.00 0.00 176.83 177.67 1h4y h THR 35 N 1.00 1.20 -0.61 2.95 2.02 -1.43 -0.49 112.91 117.54 1h4y h THR 35 Ca 0.38 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1h4y h THR 35 Cb 0.17 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1h4y h THR 35 CO -0.17 0.22 0.41 0.00 0.37 0.00 0.00 175.52 176.34 1h4y h ALA 36 N 1.01 1.80 -0.02 6.16 0.00 -0.62 0.17 119.26 127.77 1h4y h ALA 36 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1h4y h ALA 36 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1h4y h ALA 36 CO -0.01 0.10 -0.12 0.82 0.00 0.00 0.00 179.25 180.04 1h4y h ILE 37 N 0.60 1.51 0.00 0.00 2.04 -0.62 -2.25 117.51 118.79 1h4y h ILE 37 Ca 0.26 -1.66 -0.17 0.00 1.00 0.00 0.00 64.86 64.30 1h4y h ILE 37 Cb 0.28 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1h4y h ILE 37 CO -0.08 0.45 -0.79 -0.26 0.00 0.00 0.00 178.15 177.47 1h4y h PHE 38 N -0.51 0.00 -0.78 1.37 0.04 -0.84 -3.35 116.94 112.88 1h4y h PHE 38 Ca -0.01 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.43 1h4y h PHE 38 Cb 0.79 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.54 1h4y h PHE 38 CO 0.15 0.79 -1.11 0.94 -0.60 0.00 0.00 178.31 178.48 1h4y n GLN 39 N -3.40 1.67 0.00 1.51 -0.06 0.58 -4.97 117.38 112.72 1h4y n GLN 39 Ca 0.00 -3.49 0.00 0.00 -2.00 0.00 0.00 57.00 51.51 1h4y n GLN 39 Cb 0.82 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 1h4y n GLN 39 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1h4y n GLY 40 N -0.35 2.65 0.16 1.69 0.00 -1.11 -4.72 105.19 103.52 1h4y n GLY 40 Ca 0.12 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.56 1h4y n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4y n ALA 41 N -3.00 1.62 -1.85 4.61 0.00 -0.88 -4.76 120.51 116.25 1h4y n ALA 41 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1h4y n ALA 41 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 1h4y n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1h4y s VAL 42 N -0.52 2.91 0.00 0.00 1.01 -0.98 -4.41 120.40 118.41 1h4y s VAL 42 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1h4y s VAL 42 Cb 0.03 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1h4y s VAL 42 CO 0.00 -0.00 0.27 0.35 0.00 0.00 0.00 175.10 175.72 1h4y n THR 43 N 4.83 0.00 -3.73 3.92 -2.24 0.22 -4.46 114.28 112.83 1h4y n THR 43 Ca 0.17 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1h4y n THR 43 Cb 0.40 1.44 -0.15 0.00 -2.10 0.00 0.00 70.33 69.92 1h4y n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h4y s THR 44 N -0.01 -0.09 -0.17 4.28 2.01 -0.93 -1.31 115.64 119.43 1h4y s THR 44 Ca 0.00 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1h4y s THR 44 Cb 0.00 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1h4y s THR 44 CO 0.00 0.09 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.23 1h4y s ILE 45 N 1.38 2.52 -0.40 1.82 1.01 -0.62 -1.43 121.20 125.48 1h4y s ILE 45 Ca -0.07 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1h4y s ILE 45 Cb -0.12 -2.07 0.07 0.00 0.01 0.00 0.00 42.46 40.36 1h4y s ILE 45 CO -0.06 0.51 0.22 -0.63 0.00 0.00 0.00 174.94 174.99 1h4y s ILE 46 N 1.00 4.10 -0.39 2.92 1.01 -0.54 -1.43 121.20 127.87 1h4y s ILE 46 Ca -0.02 -1.36 -0.22 0.00 0.00 0.00 0.00 60.65 59.04 1h4y s ILE 46 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.86 1h4y s ILE 46 CO -0.04 -0.44 0.74 0.26 0.00 0.00 0.00 174.94 175.46 1h4y s TRP 47 N 1.41 3.08 -0.54 3.97 0.52 -0.26 -1.13 118.94 125.99 1h4y s TRP 47 Ca 0.02 0.35 -0.19 0.00 0.02 0.00 0.00 56.10 56.31 1h4y s TRP 47 Cb -0.22 -3.41 0.08 0.00 -1.15 0.00 0.00 33.47 28.76 1h4y s TRP 47 CO 0.02 -0.79 0.65 1.21 0.02 0.00 0.00 176.95 178.06 1h4y s ASN 48 N 1.93 6.20 0.00 2.95 3.84 0.67 -0.66 114.94 129.87 1h4y s ASN 48 Ca 0.29 -1.13 0.18 0.00 0.21 0.00 0.00 52.86 52.41 1h4y s ASN 48 Cb -0.13 -2.29 0.58 0.00 -0.55 0.00 0.00 41.25 38.85 1h4y s ASN 48 CO 0.18 -0.97 1.44 0.49 -2.79 0.00 0.00 177.10 175.46 1h4y n PHE 49 N 6.19 0.35 -0.31 0.43 3.01 0.00 -1.96 117.46 125.18 1h4y n PHE 49 Ca -0.08 -0.18 0.04 0.00 1.01 0.00 0.00 57.45 58.24 1h4y n PHE 49 Cb 0.44 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.02 1h4y n PHE 49 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1h4y h GLU 50 N 2.43 0.00 -0.65 -1.08 4.57 -1.64 -1.30 114.58 116.91 1h4y h GLU 50 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1h4y h GLU 50 Cb 0.54 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1h4y h GLU 50 CO 0.00 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.37 1h4y n ARG 51 N -5.56 2.60 -2.75 1.92 5.12 -1.24 -4.73 116.66 112.02 1h4y n ARG 51 Ca 0.13 -2.48 -0.42 0.00 -1.93 0.00 0.00 57.85 53.15 1h4y n ARG 51 Cb 0.44 -1.54 -0.03 0.00 -1.16 0.00 0.00 32.46 30.17 1h4y n ARG 51 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1h4y s LEU 52 N -1.09 4.27 0.02 0.55 2.96 -0.49 -1.40 118.68 123.50 1h4y s LEU 52 Ca 0.46 1.48 0.19 0.00 -0.22 0.00 0.00 54.13 56.03 1h4y s LEU 52 Cb 0.24 -3.47 -0.18 0.00 0.50 0.00 0.00 46.19 43.29 1h4y s LEU 52 CO 0.32 -0.36 0.66 -1.54 -1.32 0.00 0.00 176.35 174.11 1h4y n SER 53 N 4.66 0.57 -3.75 3.68 3.41 0.05 -4.67 113.62 117.56 1h4y n SER 53 Ca 0.07 0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1h4y n SER 53 Cb 0.50 0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 64.98 1h4y n SER 53 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1h4y s PHE 54 N -3.01 -0.36 -0.03 7.33 5.36 -1.21 -4.78 117.98 121.28 1h4y s PHE 54 Ca -0.05 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 56.80 1h4y s PHE 54 Cb 0.09 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1h4y s PHE 54 CO 0.83 -0.19 -0.08 1.41 -1.46 0.00 0.00 175.22 175.72 1h4y s MET 55 N 0.50 0.89 0.20 10.12 -2.45 -1.26 -4.57 119.30 122.73 1h4y s MET 55 Ca -0.03 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1h4y s MET 55 Cb -0.04 -0.84 -0.00 0.00 1.25 0.00 0.00 34.83 35.20 1h4y s MET 55 CO -0.03 0.10 0.01 -0.40 1.05 0.00 0.00 175.02 175.74 1h4y n ASP 56 N 3.32 2.44 0.22 1.11 5.68 -1.26 -4.98 116.55 123.10 1h4y n ASP 56 Ca -0.18 -1.91 0.11 0.00 -0.50 0.00 0.00 54.79 52.31 1h4y n ASP 56 Cb 0.54 0.17 0.69 0.00 -1.14 0.00 0.00 41.12 41.38 1h4y n ASP 56 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1h4y h SER 57 N 0.51 0.00 -0.23 -1.12 4.64 -2.01 -1.30 113.55 114.04 1h4y h SER 57 Ca -0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1h4y h SER 57 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1h4y h SER 57 CO 0.28 0.00 -0.22 0.77 -0.87 0.00 0.00 176.83 176.79 1h4y h SER 58 N 0.00 0.70 -0.11 4.97 4.64 -1.98 -0.36 113.55 121.41 1h4y h SER 58 Ca 0.04 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1h4y h SER 58 Cb 0.17 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1h4y h SER 58 CO -0.00 0.91 0.02 1.23 -0.87 0.00 0.00 176.83 178.11 1h4y h GLY 59 N 0.98 0.20 0.50 -0.77 0.00 -1.64 -1.62 103.07 100.72 1h4y h GLY 59 Ca 0.09 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1h4y h GLY 59 CO 0.05 0.12 0.14 -2.08 0.00 0.00 0.00 176.54 174.78 1h4y h VAL 60 N -0.05 0.81 -0.51 4.60 2.07 -1.33 -1.75 116.25 120.09 1h4y h VAL 60 Ca 0.03 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1h4y h VAL 60 Cb 0.30 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1h4y h VAL 60 CO 0.00 0.05 0.21 1.23 0.02 0.00 0.00 177.57 179.09 1h4y h GLY 61 N 0.30 0.77 0.96 2.17 0.00 -1.00 0.09 103.07 106.37 1h4y h GLY 61 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1h4y h GLY 61 CO -0.25 0.35 0.16 -2.00 0.00 0.00 0.00 176.54 174.80 1h4y h LEU 62 N 0.72 0.35 -0.16 3.11 5.85 -0.82 0.60 115.31 124.96 1h4y h LEU 62 Ca 0.17 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1h4y h LEU 62 Cb 0.13 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1h4y h LEU 62 CO -0.02 0.32 0.08 0.58 -0.34 0.00 0.00 178.44 179.06 1h4y h VAL 63 N 0.34 1.12 -0.13 1.05 2.07 -0.84 -2.70 116.25 117.17 1h4y h VAL 63 Ca 0.10 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1h4y h VAL 63 Cb 0.05 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1h4y h VAL 63 CO -0.02 0.11 -0.40 -0.07 0.02 0.00 0.00 177.57 177.22 1h4y h LEU 64 N 0.14 0.29 -0.79 2.57 3.38 -0.84 -1.30 115.31 118.76 1h4y h LEU 64 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1h4y h LEU 64 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1h4y h LEU 64 CO -0.01 0.66 0.18 1.23 0.09 0.00 0.00 178.44 180.59 1h4y h GLY 65 N 1.18 1.17 1.57 0.83 0.00 -0.77 -1.36 103.07 105.70 1h4y h GLY 65 Ca 0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1h4y h GLY 65 CO 0.06 0.67 -0.02 3.21 0.00 0.00 0.00 176.54 180.46 1h4y h ARG 66 N 1.04 0.53 -0.93 4.80 -0.00 -1.20 -2.44 114.38 116.17 1h4y h ARG 66 Ca 0.22 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.98 59.57 1h4y h ARG 66 Cb 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.20 1h4y h ARG 66 CO -0.00 0.57 0.54 0.52 0.00 0.00 0.00 179.97 181.60 1h4y h MET 67 N 0.51 1.28 -0.58 0.04 2.86 -0.39 0.21 114.93 118.86 1h4y h MET 67 Ca 0.11 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1h4y h MET 67 Cb 0.36 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1h4y h MET 67 CO 0.01 0.91 -0.01 -0.09 1.06 0.00 0.00 176.91 178.79 1h4y h ARG 68 N 1.29 1.02 -0.53 1.72 9.65 -0.96 -1.68 114.38 124.89 1h4y h ARG 68 Ca 0.33 -0.32 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1h4y h ARG 68 Cb -0.02 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1h4y h ARG 68 CO -0.06 1.00 0.20 0.93 2.80 0.00 0.00 179.97 184.85 1h4y h GLU 69 N 0.93 0.80 0.00 0.20 5.08 -0.97 -2.58 114.58 118.03 1h4y h GLU 69 Ca 0.16 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1h4y h GLU 69 Cb 0.56 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1h4y h GLU 69 CO 0.03 0.71 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.61 1h4y h LEU 70 N 0.72 0.00 -1.79 1.33 3.38 -0.69 -2.34 115.31 115.92 1h4y h LEU 70 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1h4y h LEU 70 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1h4y h LEU 70 CO -0.01 0.07 -0.16 -0.08 0.09 0.00 0.00 178.44 178.35 1h4y h GLU 71 N 0.00 0.00 -0.00 1.13 4.81 -0.89 0.11 114.58 119.75 1h4y h GLU 71 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h4y h GLU 71 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1h4y h GLU 71 CO 0.01 0.16 -0.04 0.00 -0.73 0.00 0.00 179.01 178.41 1h4y n ALA 72 N -2.36 2.50 -2.06 2.92 0.00 -0.88 -3.85 120.51 116.79 1h4y n ALA 72 Ca -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.32 1h4y n ALA 72 Cb 0.25 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.34 1h4y n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1h4y n VAL 73 N -1.37 0.80 -3.75 0.00 0.24 -0.77 -4.99 118.33 108.49 1h4y n VAL 73 Ca 0.10 -1.63 -0.24 0.00 -2.04 0.00 0.00 64.34 60.54 1h4y n VAL 73 Cb 0.29 0.47 0.04 0.00 -1.47 0.00 0.00 33.84 33.17 1h4y n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h4y n ALA 74 N -0.19 -1.75 -1.98 2.33 0.00 -1.10 -4.89 120.51 112.93 1h4y n ALA 74 Ca 0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1h4y n ALA 74 Cb 0.92 -2.97 0.06 0.00 0.00 0.00 0.00 19.45 17.45 1h4y n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1h4y s GLY 75 N -3.98 1.80 0.02 0.00 0.00 0.33 -4.96 107.32 100.52 1h4y s GLY 75 Ca 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1h4y s GLY 75 CO 0.81 -1.06 -0.03 0.50 0.00 0.00 0.00 173.10 173.31 1h4y s ARG 76 N -4.89 0.29 -0.03 2.90 1.81 -0.42 -4.84 118.95 113.76 1h4y s ARG 76 Ca 0.60 -0.49 0.04 0.00 -1.72 0.00 0.00 55.73 54.17 1h4y s ARG 76 Cb -0.09 -0.01 -0.00 0.00 -0.45 0.00 0.00 34.95 34.40 1h4y s ARG 76 CO 0.40 -0.01 -0.15 0.99 -0.68 0.00 0.00 175.30 175.85 1h4y s THR 77 N -1.07 1.20 -0.06 0.02 2.01 -1.26 -1.59 115.64 114.89 1h4y s THR 77 Ca -0.11 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1h4y s THR 77 Cb -0.07 -1.03 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1h4y s THR 77 CO -0.01 0.35 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.45 1h4y s ILE 78 N -0.05 1.60 -0.57 1.82 1.01 -0.52 -4.91 121.20 119.60 1h4y s ILE 78 Ca -0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 1h4y s ILE 78 Cb -0.09 -1.39 0.14 0.00 0.01 0.00 0.00 42.46 41.14 1h4y s ILE 78 CO 0.01 0.46 0.46 -0.76 0.00 0.00 0.00 174.94 175.10 1h4y s LEU 79 N 0.19 5.90 -0.04 2.97 1.43 -0.16 -1.11 118.68 127.85 1h4y s LEU 79 Ca -0.09 -2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 50.67 1h4y s LEU 79 Cb -0.14 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1h4y s LEU 79 CO 0.04 -0.65 0.48 -0.22 0.23 0.00 0.00 176.35 176.23 1h4y s LEU 80 N 0.98 4.39 -1.44 1.79 2.96 0.17 -1.17 118.68 126.35 1h4y s LEU 80 Ca 0.09 0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1h4y s LEU 80 Cb -0.23 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.77 1h4y s LEU 80 CO -0.02 0.15 0.44 0.59 -1.32 0.00 0.00 176.35 176.19 1h4y n ASN 81 N 2.73 -0.60 -4.77 3.68 3.02 -0.11 -0.82 115.26 118.39 1h4y n ASN 81 Ca -0.10 -1.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.03 1h4y n ASN 81 Cb 0.52 -2.98 -0.01 0.00 -0.61 0.00 0.00 39.78 36.70 1h4y n ASN 81 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1h4y s PRO 82 N -6.62 4.14 0.95 3.52 0.04 -1.26 -3.03 135.00 132.74 1h4y s PRO 82 Ca 0.08 2.53 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 1h4y s PRO 82 Cb -0.04 -2.99 0.16 0.00 0.04 0.00 0.00 34.50 31.67 1h4y s PRO 82 CO 0.90 -0.52 1.09 -1.54 0.04 0.00 0.00 177.00 176.97 1h4y s SER 83 N -0.05 2.97 0.27 6.66 1.04 -1.26 -4.62 113.70 118.70 1h4y s SER 83 Ca 0.54 1.46 -0.00 0.00 0.48 0.00 0.00 55.95 58.44 1h4y s SER 83 Cb -0.46 -2.14 0.57 0.00 0.10 0.00 0.00 66.02 64.10 1h4y s SER 83 CO 0.59 -2.95 1.75 -0.65 0.98 0.00 0.00 173.24 172.95 1h4y h PRO 84 N -1.77 0.55 -0.16 4.02 0.11 -1.96 0.37 132.00 133.16 1h4y h PRO 84 Ca -0.52 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.37 1h4y h PRO 84 Cb 1.30 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1h4y h PRO 84 CO 0.54 0.37 -0.66 1.79 -0.21 0.00 0.00 178.00 179.83 1h4y h THR 85 N 0.57 1.30 -0.40 -1.15 1.35 -1.92 -2.41 112.91 110.26 1h4y h THR 85 Ca 0.48 -1.89 -0.15 0.00 -0.55 0.00 0.00 66.41 64.31 1h4y h THR 85 Cb 0.74 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1h4y h THR 85 CO -0.40 0.59 -0.32 0.58 -0.25 0.00 0.00 175.52 175.72 1h4y h VAL 86 N 0.43 1.27 -0.88 6.82 2.07 -1.76 -2.50 116.25 121.70 1h4y h VAL 86 Ca -0.04 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.05 1h4y h VAL 86 Cb 1.29 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1h4y h VAL 86 CO 0.14 0.50 0.55 -0.09 0.02 0.00 0.00 177.57 178.69 1h4y h ARG 87 N 0.76 0.98 -0.53 1.57 2.43 -0.22 -1.08 114.38 118.29 1h4y h ARG 87 Ca 0.08 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1h4y h ARG 87 Cb 0.90 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1h4y h ARG 87 CO 0.08 0.65 0.35 -0.22 -1.51 0.00 0.00 179.97 179.32 1h4y h LYS 88 N 1.01 0.69 -0.64 0.20 3.64 -1.18 -0.13 116.57 120.15 1h4y h LYS 88 Ca 0.38 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1h4y h LYS 88 Cb 0.15 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1h4y h LYS 88 CO -0.17 0.45 0.32 0.28 -2.27 0.00 0.00 179.45 178.07 1h4y h VAL 89 N 0.71 1.22 -0.33 2.00 2.07 -0.96 -0.54 116.25 120.42 1h4y h VAL 89 Ca 0.20 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1h4y h VAL 89 Cb -0.07 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1h4y h VAL 89 CO -0.05 0.25 0.08 -0.26 0.02 0.00 0.00 177.57 177.61 1h4y h PHE 90 N 0.88 0.56 -0.38 1.57 0.04 -0.72 -1.56 116.94 117.32 1h4y h PHE 90 Ca 0.22 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.97 1h4y h PHE 90 Cb 0.10 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 1h4y h PHE 90 CO -0.00 0.57 0.15 1.96 -0.60 0.00 0.00 178.31 180.39 1h4y h GLN 91 N 0.38 0.31 -0.19 1.51 4.20 -0.81 0.12 115.11 120.63 1h4y h GLN 91 Ca 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1h4y h GLN 91 Cb 0.30 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1h4y h GLN 91 CO 0.00 0.20 -0.02 0.35 -0.67 0.00 0.00 178.83 178.69 1h4y h PHE 92 N 0.32 0.28 -0.00 2.96 3.04 -0.94 -2.22 116.94 120.38 1h4y h PHE 92 Ca 0.17 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1h4y h PHE 92 Cb 0.13 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1h4y h PHE 92 CO -0.13 0.31 -0.23 0.43 -2.02 0.00 0.00 178.31 176.68 1h4y n SER 93 N -4.36 0.24 0.00 0.41 7.64 -0.60 -4.91 113.62 112.04 1h4y n SER 93 Ca -0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1h4y n SER 93 Cb 0.20 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1h4y n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h4y n GLY 94 N 1.49 0.79 0.96 0.23 0.00 -0.71 -4.96 105.19 102.99 1h4y n GLY 94 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1h4y n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h4y n LEU 95 N 0.00 2.89 -0.32 0.99 7.99 0.33 -4.50 117.00 124.38 1h4y n LEU 95 Ca 0.00 -1.21 0.17 0.00 -0.01 0.00 0.00 56.01 54.96 1h4y n LEU 95 Cb 0.00 -0.18 0.37 0.00 -0.11 0.00 0.00 43.42 43.49 1h4y n LEU 95 CO 0.00 0.60 1.08 1.23 -1.51 0.00 0.00 177.39 178.79 1h4y h GLY 96 N 4.70 1.74 2.00 -0.72 0.00 -1.78 -1.56 103.07 107.46 1h4y h GLY 96 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1h4y h GLY 96 CO 0.00 -0.33 0.00 -1.05 0.00 0.00 0.00 176.54 175.16 1h4y n PRO 97 N -5.03 0.01 0.00 4.80 -0.02 -1.26 -1.70 135.00 131.81 1h4y n PRO 97 Ca 0.26 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1h4y n PRO 97 Cb 0.76 -1.54 0.11 0.00 -0.02 0.00 0.00 33.50 32.81 1h4y n PRO 97 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1h4y n TRP 98 N -1.56 0.00 -2.62 6.00 8.01 -0.58 -4.98 117.44 121.70 1h4y n TRP 98 Ca 0.00 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.83 1h4y n TRP 98 Cb 0.03 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.27 1h4y n TRP 98 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1h4y s MET 99 N -2.21 4.30 -0.07 -0.99 -1.94 -0.69 -0.99 119.30 116.71 1h4y s MET 99 Ca 0.25 1.45 -0.09 0.00 -1.71 0.00 0.00 55.69 55.59 1h4y s MET 99 Cb 0.19 -2.61 0.02 0.00 2.01 0.00 0.00 34.83 34.44 1h4y s MET 99 CO 0.42 -0.01 0.23 1.41 -0.01 0.00 0.00 175.02 177.06 1h4y s MET 100 N -2.38 0.34 -0.36 2.03 0.00 -0.32 -4.87 119.30 113.73 1h4y s MET 100 Ca 0.55 0.17 -0.05 0.00 0.00 0.00 0.00 55.69 56.37 1h4y s MET 100 Cb -0.21 0.16 0.07 0.00 0.00 0.00 0.00 34.83 34.85 1h4y s MET 100 CO 0.26 -0.06 0.14 -0.51 0.00 0.00 0.00 175.02 174.85 1h4y s ASP 101 N -0.23 5.26 0.15 1.11 1.01 -1.26 -0.93 116.67 121.77 1h4y s ASP 101 Ca -0.03 -1.48 -0.25 0.00 0.71 0.00 0.00 52.55 51.49 1h4y s ASP 101 Cb -0.03 -1.84 0.07 0.00 1.01 0.00 0.00 42.92 42.13 1h4y s ASP 101 CO 0.01 -0.41 0.97 0.00 0.21 0.00 0.00 175.17 175.95 1h4y s ALA 102 N 1.30 -1.67 0.77 5.23 0.00 -1.26 -4.99 121.76 121.14 1h4y s ALA 102 Ca 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1h4y s ALA 102 Cb -0.21 0.63 0.05 0.00 0.00 0.00 0.00 23.12 23.59 1h4y s ALA 102 CO -0.00 -1.04 1.10 0.95 0.00 0.00 0.00 175.76 176.77 1h4y s THR 103 N -3.26 3.08 0.23 0.00 -4.23 -1.26 -4.74 115.64 105.47 1h4y s THR 103 Ca 0.12 0.35 -0.08 0.00 -1.18 0.00 0.00 61.69 60.91 1h4y s THR 103 Cb -0.01 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.84 1h4y s THR 103 CO 0.02 -0.46 1.89 -0.33 -0.54 0.00 0.00 174.62 175.20 1h4y h GLU 104 N -0.96 1.20 -0.59 3.99 5.08 -2.01 -1.41 114.58 119.87 1h4y h GLU 104 Ca -0.46 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1h4y h GLU 104 Cb 1.27 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1h4y h GLU 104 CO 0.61 0.83 0.31 1.49 -1.00 0.00 0.00 179.01 181.25 1h4y h GLU 105 N 1.23 0.84 -0.82 2.33 4.81 -2.00 -2.02 114.58 118.94 1h4y h GLU 105 Ca 0.32 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1h4y h GLU 105 Cb -0.09 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.10 1h4y h GLU 105 CO -0.06 0.65 0.45 0.93 -0.73 0.00 0.00 179.01 180.25 1h4y h GLU 106 N 0.80 1.15 -0.73 1.92 5.08 -1.86 -1.40 114.58 119.54 1h4y h GLU 106 Ca 0.21 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1h4y h GLU 106 Cb 0.07 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1h4y h GLU 106 CO -0.03 0.84 0.28 0.00 -1.00 0.00 0.00 179.01 179.11 1h4y h ALA 107 N 1.24 0.95 -0.08 3.43 0.00 -0.83 -1.36 119.26 122.61 1h4y h ALA 107 Ca 0.29 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1h4y h ALA 107 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1h4y h ALA 107 CO -0.05 0.59 -0.64 -0.84 0.00 0.00 0.00 179.25 178.30 1h4y h ILE 108 N 1.06 1.38 0.00 0.00 3.07 -1.14 -1.03 117.51 120.86 1h4y h ILE 108 Ca 0.24 -2.04 -0.07 0.00 1.55 0.00 0.00 64.86 64.55 1h4y h ILE 108 Cb 0.23 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 1h4y h ILE 108 CO -0.02 0.61 -0.33 0.44 -1.05 0.00 0.00 178.15 177.80 1h4y h ASP 109 N 0.22 0.00 -0.00 2.16 3.45 -0.67 -3.28 116.42 118.31 1h4y h ASP 109 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1h4y h ASP 109 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1h4y h ASP 109 CO 0.10 0.33 -0.63 0.54 -1.57 0.00 0.00 179.24 178.01 1h4y n ARG 110 N -3.75 1.73 -0.23 3.56 1.74 -0.57 -3.98 116.66 115.16 1h4y n ARG 110 Ca -0.01 -0.24 0.03 0.00 -0.77 0.00 0.00 57.85 56.86 1h4y n ARG 110 Cb 0.42 -1.26 0.13 0.00 -1.02 0.00 0.00 32.46 30.73 1h4y n ARG 110 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1h4y h VAL 111 N 0.54 0.41 -0.24 1.55 3.04 -1.26 -0.66 116.25 119.62 1h4y h VAL 111 Ca 0.00 -0.04 -0.09 0.00 -1.01 0.00 0.00 66.70 65.56 1h4y h VAL 111 Cb 0.43 0.29 -0.06 0.00 -2.01 0.00 0.00 31.29 29.95 1h4y h VAL 111 CO 0.00 0.02 -0.11 0.54 -1.01 0.00 0.00 177.57 177.01 1h4y n ARG 112 N -5.32 1.98 0.00 4.17 1.74 -1.26 -5.05 116.66 112.92 1h4y n ARG 112 Ca 0.11 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.14 1h4y n ARG 112 Cb 0.41 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1h4y n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h4y n GLY 113 N -1.03 1.57 3.68 -0.13 0.00 -0.26 -4.93 105.19 104.10 1h4y n GLY 113 Ca 0.27 -1.67 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 1h4y n GLY 113 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h4y n ILE 114 N 1.58 0.05 -2.69 -0.61 2.08 -1.26 -4.69 119.36 113.82 1h4y n ILE 114 Ca 0.00 -0.01 -0.42 0.00 0.56 0.00 0.00 62.75 62.88 1h4y n ILE 114 Cb 0.00 -1.68 -0.03 0.00 -0.75 0.00 0.00 39.64 37.18 1h4y n ILE 114 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1h4y s VAL 115 N 1.21 4.73 0.00 1.39 1.01 -1.26 -5.11 120.40 122.36 1h4y s VAL 115 Ca 0.79 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.78 1h4y s VAL 115 Cb -0.63 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1h4y s VAL 115 CO 0.37 0.19 0.00 -3.20 0.00 0.00 0.00 175.10 172.46