#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4h s SER 2 N 0.00 6.64 0.03 1.61 0.01 -1.26 -4.91 113.70 115.82 1x4h s SER 2 Ca 0.00 -2.40 -0.29 0.00 1.31 0.00 0.00 55.95 54.58 1x4h s SER 2 Cb 0.00 -2.25 -0.16 0.00 0.21 0.00 0.00 66.02 63.82 1x4h s SER 2 CO 0.00 -0.73 1.25 -1.28 0.41 0.00 0.00 173.24 172.89 1x4h h SER 3 N 8.18 -0.78 0.00 2.44 0.87 -2.12 -3.49 113.55 118.64 1x4h h SER 3 Ca 0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1x4h h SER 3 Cb 1.05 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1x4h h SER 3 CO 0.87 -0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1x4h n GLY 4 N -0.84 2.56 3.81 5.77 0.00 -1.26 -4.99 105.19 110.24 1x4h n GLY 4 Ca -0.12 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1x4h n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4h n SER 5 N 0.00 -0.83 -0.07 1.61 3.41 -1.26 -4.79 113.62 111.69 1x4h n SER 5 Ca 0.00 -0.94 -0.08 0.00 -0.26 0.00 0.00 58.87 57.59 1x4h n SER 5 Cb 0.00 -1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 62.71 1x4h n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x4h h SER 6 N -0.77 0.00 -1.98 4.04 0.02 -1.98 -3.50 113.55 109.39 1x4h h SER 6 Ca -0.46 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1x4h h SER 6 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1x4h h SER 6 CO 0.64 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 1x4h n GLY 7 N 1.62 0.52 3.48 -3.77 0.00 -1.26 -5.00 105.19 100.78 1x4h n GLY 7 Ca -0.10 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1x4h n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x4h n LEU 8 N -0.83 0.37 -4.64 0.99 -0.00 -1.26 -4.83 117.00 106.80 1x4h n LEU 8 Ca 0.00 0.98 -0.43 0.00 -0.00 0.00 0.00 56.01 56.57 1x4h n LEU 8 Cb 0.33 -1.15 -0.03 0.00 -0.00 0.00 0.00 43.42 42.58 1x4h n LEU 8 CO 0.00 -2.54 1.35 -2.16 -0.00 0.00 0.00 177.39 174.04 1x4h s PRO 9 N -1.56 3.87 -0.20 1.47 0.04 -1.26 -4.90 135.00 132.46 1x4h s PRO 9 Ca 0.63 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 63.21 1x4h s PRO 9 Cb -0.65 -4.01 -0.15 0.00 0.04 0.00 0.00 34.50 29.73 1x4h s PRO 9 CO 0.58 -1.20 0.07 0.45 0.04 0.00 0.00 177.00 176.95 1x4h n SER 10 N 8.16 1.86 -4.26 6.66 2.88 -1.26 -4.96 113.62 122.70 1x4h n SER 10 Ca 0.18 0.45 -0.28 0.00 -1.33 0.00 0.00 58.87 57.89 1x4h n SER 10 Cb 0.45 -0.93 -0.15 0.00 -0.75 0.00 0.00 64.21 62.83 1x4h n SER 10 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1x4h s ASP 11 N -6.72 2.64 -0.07 -3.46 1.47 -1.26 -5.03 116.67 104.25 1x4h s ASP 11 Ca -0.28 -0.45 -0.01 0.00 1.18 0.00 0.00 52.55 53.00 1x4h s ASP 11 Cb 0.06 -0.27 -0.04 0.00 -0.34 0.00 0.00 42.92 42.33 1x4h s ASP 11 CO 0.51 0.24 -0.07 1.33 0.68 0.00 0.00 175.17 177.87 1x4h n VAL 12 N 2.28 0.37 -1.23 2.11 0.24 -1.26 -5.00 118.33 115.84 1x4h n VAL 12 Ca -0.16 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.61 1x4h n VAL 12 Cb 0.53 -0.96 -0.01 0.00 -1.47 0.00 0.00 33.84 31.93 1x4h n VAL 12 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1x4h n THR 13 N -2.85 1.00 -3.06 3.34 -1.04 -1.26 -4.83 114.28 105.57 1x4h n THR 13 Ca -0.12 -0.46 -0.45 0.00 -2.04 0.00 0.00 64.05 60.98 1x4h n THR 13 Cb 0.61 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.11 1x4h n THR 13 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x4h s GLU 14 N -0.93 3.79 -0.31 -2.82 2.02 -1.26 -4.79 118.70 114.40 1x4h s GLU 14 Ca 0.56 -2.28 0.16 0.00 0.02 0.00 0.00 54.97 53.44 1x4h s GLU 14 Cb -0.68 -4.81 0.47 0.00 0.10 0.00 0.00 34.13 29.22 1x4h s GLU 14 CO 0.56 -1.61 1.07 0.41 0.02 0.00 0.00 175.26 175.71 1x4h n GLY 15 N 4.52 3.05 3.12 -1.39 0.00 -1.26 -5.05 105.19 108.18 1x4h n GLY 15 Ca 0.25 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1x4h n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4h s LYS 16 N -3.50 2.88 0.08 1.61 1.02 -1.26 -4.91 119.74 115.66 1x4h s LYS 16 Ca 0.34 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 1x4h s LYS 16 Cb 0.39 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1x4h s LYS 16 CO -0.02 -0.27 0.01 0.99 -0.92 0.00 0.00 175.35 175.14 1x4h s THR 17 N 1.27 0.17 -0.27 2.17 2.01 -1.26 -3.98 115.64 115.74 1x4h s THR 17 Ca 0.03 -1.84 -0.08 0.00 0.31 0.00 0.00 61.69 60.10 1x4h s THR 17 Cb -0.14 -1.74 0.13 0.00 0.01 0.00 0.00 72.50 70.76 1x4h s THR 17 CO -0.11 -0.77 0.58 0.68 -0.69 0.00 0.00 174.62 174.31 1x4h s VAL 18 N -3.97 -0.90 -0.19 3.82 -7.23 -0.27 -4.10 120.40 107.55 1x4h s VAL 18 Ca 0.14 0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1x4h s VAL 18 Cb 0.08 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 1x4h s VAL 18 CO -0.05 0.01 -0.06 0.12 -0.31 0.00 0.00 175.10 174.81 1x4h s PHE 19 N 2.82 2.94 -0.14 2.82 5.36 0.85 -0.04 117.98 132.59 1x4h s PHE 19 Ca -0.01 -0.79 -0.10 0.00 -0.96 0.00 0.00 56.93 55.06 1x4h s PHE 19 Cb -0.12 -2.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.48 1x4h s PHE 19 CO -0.18 -0.41 0.20 0.42 -1.46 0.00 0.00 175.22 173.79 1x4h s ILE 20 N 1.09 5.38 0.12 3.12 1.09 -0.09 -1.05 121.20 130.87 1x4h s ILE 20 Ca 0.01 0.35 0.10 0.00 -1.10 0.00 0.00 60.65 60.01 1x4h s ILE 20 Cb -0.15 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 1x4h s ILE 20 CO -0.01 0.51 -0.25 -0.13 -0.10 0.00 0.00 174.94 174.97 1x4h s ARG 21 N -0.30 1.33 -0.53 2.79 0.52 0.89 -2.20 118.95 121.45 1x4h s ARG 21 Ca 0.14 -1.28 -0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1x4h s ARG 21 Cb -0.12 -1.74 -0.00 0.00 0.52 0.00 0.00 34.95 33.61 1x4h s ARG 21 CO 0.03 0.41 0.44 -1.71 0.02 0.00 0.00 175.30 174.49 1x4h n ASN 22 N 1.01 -2.05 -4.84 0.23 5.15 -0.32 -1.16 115.26 113.29 1x4h n ASN 22 Ca -0.18 -0.27 -0.30 0.00 -0.60 0.00 0.00 54.58 53.22 1x4h n ASN 22 Cb 0.53 -2.54 0.08 0.00 -0.53 0.00 0.00 39.78 37.33 1x4h n ASN 22 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4h s LEU 23 N -3.92 2.63 -0.03 1.20 1.43 0.06 -4.54 118.68 115.51 1x4h s LEU 23 Ca 0.00 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.23 1x4h s LEU 23 Cb -0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1x4h s LEU 23 CO 0.32 -1.82 0.19 -0.44 0.23 0.00 0.00 176.35 174.83 1x4h s SER 24 N -4.12 6.41 0.44 2.29 0.01 -1.26 -4.75 113.70 112.71 1x4h s SER 24 Ca 0.60 0.43 0.30 0.00 1.31 0.00 0.00 55.95 58.59 1x4h s SER 24 Cb -0.13 -2.04 1.56 0.00 0.21 0.00 0.00 66.02 65.62 1x4h s SER 24 CO 0.53 0.30 1.91 -0.26 0.41 0.00 0.00 173.24 176.12 1x4h h PHE 25 N 4.14 0.00 0.00 2.43 0.04 -1.96 -0.49 116.94 121.10 1x4h h PHE 25 Ca -0.51 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.09 1x4h h PHE 25 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1x4h h PHE 25 CO 0.69 0.00 -1.38 0.22 -0.60 0.00 0.00 178.31 177.24 1x4h h ASP 26 N 0.00 0.00 -4.13 2.17 1.82 -1.96 -3.44 116.42 110.88 1x4h h ASP 26 Ca 0.00 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.09 1x4h h ASP 26 Cb 0.07 0.00 0.15 0.00 0.68 0.00 0.00 39.33 40.23 1x4h h ASP 26 CO 0.00 0.60 0.46 -0.44 -1.61 0.00 0.00 179.24 178.25 1x4h s SER 27 N -5.83 4.52 0.01 2.28 0.01 -0.19 -5.04 113.70 109.45 1x4h s SER 27 Ca -0.03 2.50 -0.02 0.00 1.31 0.00 0.00 55.95 59.71 1x4h s SER 27 Cb 0.09 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1x4h s SER 27 CO 0.81 -2.05 0.03 -1.61 0.41 0.00 0.00 173.24 170.83 1x4h s GLU 28 N -3.56 0.29 0.27 12.44 2.02 -1.26 -4.92 118.70 123.98 1x4h s GLU 28 Ca 0.79 -0.38 0.15 0.00 0.02 0.00 0.00 54.97 55.55 1x4h s GLU 28 Cb -0.34 0.11 0.98 0.00 0.10 0.00 0.00 34.13 34.99 1x4h s GLU 28 CO 0.41 -0.06 1.14 -1.91 0.02 0.00 0.00 175.26 174.86 1x4h n GLU 29 N 1.92 -0.04 0.23 1.61 2.13 -1.26 -0.01 120.64 125.22 1x4h n GLU 29 Ca -0.21 1.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.52 1x4h n GLU 29 Cb 0.56 -1.80 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 1x4h n GLU 29 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x4h h GLU 30 N 0.00 -0.58 -0.51 5.31 4.81 -1.95 -2.44 114.58 119.23 1x4h h GLU 30 Ca 0.62 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.97 1x4h h GLU 30 Cb 1.63 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 31.07 1x4h h GLU 30 CO -0.56 -0.38 0.08 0.00 -0.73 0.00 0.00 179.01 177.42 1x4h h ALA 31 N -1.56 0.55 -0.30 2.92 0.00 -0.83 -0.34 119.26 119.71 1x4h h ALA 31 Ca -0.06 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1x4h h ALA 31 Cb 0.46 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1x4h h ALA 31 CO 0.10 -0.33 -0.33 1.25 0.00 0.00 0.00 179.25 179.94 1x4h h LEU 32 N 0.21 -1.09 0.46 0.00 6.46 -0.62 -2.21 115.31 118.51 1x4h h LEU 32 Ca 0.26 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 1x4h h LEU 32 Cb 0.36 0.49 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1x4h h LEU 32 CO -0.35 -0.34 -0.22 1.23 -0.62 0.00 0.00 178.44 178.14 1x4h h GLY 33 N -0.31 -0.64 -0.59 3.75 0.00 -0.91 -2.52 103.07 101.86 1x4h h GLY 33 Ca 0.14 0.24 0.25 0.00 0.00 0.00 0.00 47.33 47.96 1x4h h GLY 33 CO -0.47 -0.23 1.05 0.83 0.00 0.00 0.00 176.54 177.72 1x4h h GLU 34 N -0.75 0.00 0.07 4.80 4.39 -0.78 0.28 114.58 122.59 1x4h h GLU 34 Ca -0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1x4h h GLU 34 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1x4h h GLU 34 CO 0.10 0.00 -0.03 0.28 -1.16 0.00 0.00 179.01 178.20 1x4h h VAL 35 N 0.00 0.39 -0.18 3.13 2.07 -0.96 -3.34 116.25 117.36 1x4h h VAL 35 Ca 0.40 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1x4h h VAL 35 Cb 2.51 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1x4h h VAL 35 CO -0.00 0.13 0.05 -0.07 0.02 0.00 0.00 177.57 177.69 1x4h h LEU 36 N -1.01 0.22 -1.03 2.57 3.38 -0.55 -1.42 115.31 117.48 1x4h h LEU 36 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x4h h LEU 36 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1x4h h LEU 36 CO 0.01 0.23 0.17 0.00 0.09 0.00 0.00 178.44 178.95 1x4h n GLN 37 N -4.44 0.10 -0.13 1.13 6.02 0.69 -1.29 117.38 119.45 1x4h n GLN 37 Ca -0.00 0.58 -0.09 0.00 -0.01 0.00 0.00 57.00 57.47 1x4h n GLN 37 Cb 0.14 -2.01 -0.01 0.00 1.02 0.00 0.00 30.24 29.38 1x4h n GLN 37 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 1x4h h GLN 38 N 0.00 0.62 -0.04 -1.09 3.07 -1.40 -3.09 115.11 113.18 1x4h h GLN 38 Ca 0.00 -0.14 -0.23 0.00 0.09 0.00 0.00 58.65 58.37 1x4h h GLN 38 Cb 0.35 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 27.83 1x4h h GLN 38 CO 0.00 0.63 -0.91 0.74 0.09 0.00 0.00 178.83 179.38 1x4h h PHE 39 N 0.49 0.83 -1.19 0.06 -1.00 -1.40 -3.48 116.94 111.25 1x4h h PHE 39 Ca 0.13 -0.42 0.25 0.00 2.81 0.00 0.00 57.97 60.73 1x4h h PHE 39 Cb 0.27 -0.11 -0.24 0.00 3.61 0.00 0.00 35.95 39.49 1x4h h PHE 39 CO 0.01 1.24 0.89 0.20 -1.61 0.00 0.00 178.31 179.04 1x4h s GLY 40 N -4.30 -0.09 0.92 -1.45 0.00 -1.17 -4.89 107.32 96.35 1x4h s GLY 40 Ca -0.08 2.30 -0.17 0.00 0.00 0.00 0.00 44.72 46.78 1x4h s GLY 40 CO 0.89 0.88 -0.58 1.22 0.00 0.00 0.00 173.10 175.51 1x4h n ASP 41 N 0.29 -5.27 -4.02 1.64 8.00 -1.26 -4.05 116.55 111.88 1x4h n ASP 41 Ca 0.00 0.27 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 1x4h n ASP 41 Cb 0.58 -0.82 -0.16 0.00 -0.02 0.00 0.00 41.12 40.70 1x4h n ASP 41 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x4h s LEU 42 N 6.63 2.55 0.15 0.64 1.43 -1.26 -3.17 118.68 125.65 1x4h s LEU 42 Ca 0.44 -1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 1x4h s LEU 42 Cb -0.23 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.70 1x4h s LEU 42 CO 0.79 -0.15 1.68 0.50 0.23 0.00 0.00 176.35 179.40 1x4h h LYS 43 N 7.92 -0.03 -2.12 1.70 1.63 0.18 -3.44 116.57 122.40 1x4h h LYS 43 Ca -0.27 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.48 1x4h h LYS 43 Cb 1.09 0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 32.51 1x4h h LYS 43 CO 0.49 -0.02 0.08 1.52 -3.45 0.00 0.00 179.45 178.06 1x4h s TYR 44 N -6.20 -0.72 -0.27 1.91 -0.85 -1.17 -4.99 117.35 105.05 1x4h s TYR 44 Ca -0.14 1.71 0.01 0.00 -0.52 0.00 0.00 57.07 58.14 1x4h s TYR 44 Cb 0.13 0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.81 1x4h s TYR 44 CO 0.70 -0.38 0.01 0.54 -1.52 0.00 0.00 175.55 174.90 1x4h s VAL 45 N 0.19 1.49 -0.05 -3.49 0.11 -1.26 -1.62 120.40 115.77 1x4h s VAL 45 Ca -0.01 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 57.62 1x4h s VAL 45 Cb -0.04 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1x4h s VAL 45 CO 0.02 -0.35 -0.22 -0.60 -3.33 0.00 0.00 175.10 170.62 1x4h s ARG 46 N 1.36 2.53 -0.19 1.54 3.52 -0.63 -4.95 118.95 122.13 1x4h s ARG 46 Ca 0.02 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 1x4h s ARG 46 Cb -0.18 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 1x4h s ARG 46 CO -0.11 0.45 -0.15 0.54 -0.81 0.00 0.00 175.30 175.22 1x4h s VAL 47 N -0.32 2.51 -0.05 7.11 0.11 -1.26 -0.90 120.40 127.60 1x4h s VAL 47 Ca 0.01 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 57.98 1x4h s VAL 47 Cb -0.13 -2.09 -0.07 0.00 -1.53 0.00 0.00 36.38 32.57 1x4h s VAL 47 CO 0.02 0.50 1.93 0.54 -3.33 0.00 0.00 175.10 174.76 1x4h s VAL 48 N 1.33 3.18 0.29 2.04 0.11 -1.23 -4.98 120.40 121.14 1x4h s VAL 48 Ca 0.05 0.21 0.10 0.00 -2.93 0.00 0.00 61.98 59.41 1x4h s VAL 48 Cb -0.14 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 1x4h s VAL 48 CO -0.09 -0.04 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.73 1x4h s LEU 49 N 5.21 2.61 0.35 2.54 1.43 -1.26 -3.41 118.68 126.15 1x4h s LEU 49 Ca 0.86 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 1x4h s LEU 49 Cb -0.37 -0.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.77 1x4h s LEU 49 CO 0.37 -0.10 1.39 1.57 0.23 0.00 0.00 176.35 179.81 1x4h n HIS 50 N -0.63 2.59 0.98 0.29 -0.00 -1.22 -4.84 115.22 112.39 1x4h n HIS 50 Ca -0.05 0.48 0.06 0.00 0.46 0.00 0.00 57.72 58.66 1x4h n HIS 50 Cb 0.61 -2.48 0.33 0.00 -0.12 0.00 0.00 29.99 28.34 1x4h n HIS 50 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1x4h n PRO 51 N 0.71 0.49 0.04 1.57 -0.04 -1.26 -3.73 135.00 132.78 1x4h n PRO 51 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1x4h n PRO 51 Cb 0.37 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1x4h n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x4h n ASP 52 N -0.85 0.16 -4.87 3.54 2.03 -1.26 -5.12 116.55 110.18 1x4h n ASP 52 Ca 0.08 0.14 -0.21 0.00 0.52 0.00 0.00 54.79 55.32 1x4h n ASP 52 Cb 0.04 0.03 0.07 0.00 -0.72 0.00 0.00 41.12 40.55 1x4h n ASP 52 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1x4h s THR 53 N -2.00 2.26 -0.50 5.18 -4.23 -1.24 -5.03 115.64 110.08 1x4h s THR 53 Ca 0.00 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1x4h s THR 53 Cb 0.00 -2.47 0.45 0.00 1.34 0.00 0.00 72.50 71.82 1x4h s THR 53 CO 0.00 0.00 1.60 1.21 -0.54 0.00 0.00 174.62 176.89 1x4h n GLU 54 N -2.47 3.16 -3.60 3.99 0.00 -1.26 -3.74 120.64 116.71 1x4h n GLU 54 Ca 0.14 -3.78 -0.35 0.00 0.00 0.00 0.00 57.16 53.17 1x4h n GLU 54 Cb 0.61 -2.28 -0.05 0.00 0.00 0.00 0.00 31.44 29.71 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1x4h s HIS 55 N -3.72 3.60 -0.46 4.31 3.76 -1.26 -4.97 115.29 116.54 1x4h s HIS 55 Ca 0.57 0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 55.96 1x4h s HIS 55 Cb 0.45 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 32.03 1x4h s HIS 55 CO -0.02 0.55 1.11 -1.12 -0.85 0.00 0.00 174.74 174.40 1x4h s SER 56 N -1.68 6.64 0.36 1.40 0.01 -1.26 -3.39 113.70 115.79 1x4h s SER 56 Ca 0.31 0.48 0.14 0.00 1.31 0.00 0.00 55.95 58.18 1x4h s SER 56 Cb -0.14 -2.54 0.98 0.00 0.21 0.00 0.00 66.02 64.53 1x4h s SER 56 CO 0.17 -1.20 1.76 0.11 0.41 0.00 0.00 173.24 174.49 1x4h h LYS 57 N 9.12 0.49 0.00 12.44 1.79 -1.94 -3.45 116.57 135.02 1x4h h LYS 57 Ca -0.23 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1x4h h LYS 57 Cb 1.06 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1x4h h LYS 57 CO 1.11 0.33 0.00 0.41 -1.08 0.00 0.00 179.45 180.22 1x4h n GLY 58 N -1.41 1.14 3.39 3.86 0.00 -1.26 -4.96 105.19 105.95 1x4h n GLY 58 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1x4h n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4h s ALA 60 N -3.60 -1.17 -0.09 0.00 0.00 -0.93 -3.47 121.76 112.48 1x4h s ALA 60 Ca 0.01 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1x4h s ALA 60 Cb -0.00 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1x4h s ALA 60 CO -0.11 -0.49 -0.15 -0.06 0.00 0.00 0.00 175.76 174.95 1x4h s PHE 61 N -2.53 2.74 0.24 0.00 0.40 -0.08 -0.91 117.98 117.84 1x4h s PHE 61 Ca -0.05 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1x4h s PHE 61 Cb -0.01 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 1x4h s PHE 61 CO -0.03 -0.07 0.01 0.00 0.70 0.00 0.00 175.22 175.84 1x4h s ALA 62 N -0.10 1.82 -0.04 5.36 0.00 0.95 -1.60 121.76 128.14 1x4h s ALA 62 Ca -0.02 -1.79 -0.02 0.00 0.00 0.00 0.00 51.96 50.13 1x4h s ALA 62 Cb -0.14 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1x4h s ALA 62 CO 0.04 -0.28 0.06 -1.14 0.00 0.00 0.00 175.76 174.43 1x4h s GLN 63 N -3.89 -0.05 0.69 0.00 0.74 -0.64 -1.11 119.66 115.41 1x4h s GLN 63 Ca 0.30 0.36 -0.11 0.00 0.05 0.00 0.00 55.36 55.95 1x4h s GLN 63 Cb 0.06 -0.52 0.01 0.00 1.10 0.00 0.00 33.01 33.66 1x4h s GLN 63 CO 0.09 -0.32 1.09 -0.06 -0.55 0.00 0.00 175.29 175.54 1x4h s PHE 64 N 2.11 3.37 -0.49 1.67 0.40 -1.26 0.19 117.98 123.97 1x4h s PHE 64 Ca 0.04 1.08 0.24 0.00 -0.60 0.00 0.00 56.93 57.69 1x4h s PHE 64 Cb -0.12 -3.01 0.37 0.00 0.51 0.00 0.00 43.02 40.76 1x4h s PHE 64 CO -0.03 -1.10 1.47 0.52 0.70 0.00 0.00 175.22 176.78 1x4h h MET 65 N -0.60 0.00 -3.80 0.44 2.86 -1.87 -3.40 114.93 108.56 1x4h h MET 65 Ca -0.45 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.03 1x4h h MET 65 Cb 1.24 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.69 1x4h h MET 65 CO 0.63 0.00 -0.63 0.95 1.06 0.00 0.00 176.91 178.93 1x4h s THR 66 N -3.21 0.09 0.17 2.22 -4.23 -1.26 -5.05 115.64 104.37 1x4h s THR 66 Ca 0.06 -0.79 -0.14 0.00 -1.18 0.00 0.00 61.69 59.64 1x4h s THR 66 Cb 0.09 -0.31 0.06 0.00 1.34 0.00 0.00 72.50 73.68 1x4h s THR 66 CO 0.69 -0.43 1.81 1.56 -0.54 0.00 0.00 174.62 177.71 1x4h h GLN 67 N 4.60 0.57 -0.96 3.99 1.08 -1.91 -2.22 115.11 120.27 1x4h h GLN 67 Ca -0.31 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 56.95 1x4h h GLN 67 Cb 1.20 -0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.43 1x4h h GLN 67 CO 0.41 0.38 0.60 1.49 -0.95 0.00 0.00 178.83 180.76 1x4h h GLU 68 N 0.59 0.97 0.40 1.46 4.81 -1.99 -2.68 114.58 118.14 1x4h h GLU 68 Ca 0.20 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1x4h h GLU 68 Cb 0.02 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1x4h h GLU 68 CO -0.09 0.64 -0.33 0.00 -0.73 0.00 0.00 179.01 178.50 1x4h h ALA 69 N 1.49 -1.06 -0.85 2.92 0.00 -1.74 -1.21 119.26 118.81 1x4h h ALA 69 Ca 0.45 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.42 1x4h h ALA 69 Cb 0.36 0.52 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 1x4h h ALA 69 CO -0.23 -1.06 -0.10 0.00 0.00 0.00 0.00 179.25 177.85 1x4h h ALA 70 N -1.29 0.75 -0.29 0.00 0.00 -1.34 0.21 119.26 117.29 1x4h h ALA 70 Ca -0.05 0.31 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1x4h h ALA 70 Cb 0.59 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1x4h h ALA 70 CO -0.00 -0.44 0.07 1.96 0.00 0.00 0.00 179.25 180.84 1x4h h GLN 71 N 0.03 0.18 -0.04 0.00 1.08 -1.23 -0.09 115.11 115.03 1x4h h GLN 71 Ca 0.45 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.65 1x4h h GLN 71 Cb 0.77 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1x4h h GLN 71 CO -0.83 0.12 0.13 0.87 -0.95 0.00 0.00 178.83 178.17 1x4h h LYS 72 N 0.18 0.00 0.00 1.46 1.57 0.63 0.17 116.57 120.58 1x4h h LYS 72 Ca 0.13 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1x4h h LYS 72 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1x4h h LYS 72 CO -0.16 0.00 -1.05 0.00 -0.57 0.00 0.00 179.45 177.67 1x4h h LEU 74 N 0.00 -0.08 -1.89 0.00 3.38 0.11 -2.18 115.31 114.65 1x4h h LEU 74 Ca -0.09 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.12 1x4h h LEU 74 Cb 1.45 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1x4h h LEU 74 CO 0.05 0.27 0.70 0.00 0.09 0.00 0.00 178.44 179.55 1x4h h ALA 75 N -1.31 2.70 0.00 1.53 0.00 -1.58 1.04 119.26 121.65 1x4h h ALA 75 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1x4h h ALA 75 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1x4h h ALA 75 CO 0.02 -1.13 -0.81 0.00 0.00 0.00 0.00 179.25 177.32 1x4h h ALA 76 N 1.38 0.66 0.15 0.00 0.00 -1.65 -3.34 119.26 116.47 1x4h h ALA 76 Ca 0.40 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 1x4h h ALA 76 Cb 1.80 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1x4h h ALA 76 CO -0.00 0.27 -1.58 0.00 0.00 0.00 0.00 179.25 177.94 1x4h h ALA 77 N 1.82 0.20 -1.67 0.00 0.00 0.17 -2.06 119.26 117.71 1x4h h ALA 77 Ca -0.03 -1.09 -0.56 0.00 0.00 0.00 0.00 54.91 53.23 1x4h h ALA 77 Cb 1.17 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1x4h h ALA 77 CO 0.02 1.06 0.95 0.45 0.00 0.00 0.00 179.25 181.74 1x4h s SER 78 N -7.12 6.55 0.54 0.00 0.15 0.34 -3.62 113.70 110.53 1x4h s SER 78 Ca -0.11 0.35 0.27 0.00 0.70 0.00 0.00 55.95 57.17 1x4h s SER 78 Cb 0.06 -2.55 1.44 0.00 -1.71 0.00 0.00 66.02 63.26 1x4h s SER 78 CO 0.86 -1.35 1.96 0.17 1.20 0.00 0.00 173.24 176.09 1x4h h LEU 79 N 11.54 0.00 -0.08 3.45 -0.00 -1.84 -0.90 115.31 127.49 1x4h h LEU 79 Ca -0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.58 1x4h h LEU 79 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1x4h h LEU 79 CO 1.15 0.00 -0.20 1.05 -0.00 0.00 0.00 178.44 180.44 1x4h h GLU 80 N 0.00 0.28 0.00 0.17 4.11 -1.90 -3.43 114.58 113.81 1x4h h GLU 80 Ca 0.28 -0.19 -0.25 0.00 0.07 0.00 0.00 59.36 59.27 1x4h h GLU 80 Cb 1.17 0.03 0.15 0.00 0.50 0.00 0.00 28.75 30.60 1x4h h GLU 80 CO -0.00 0.80 -0.12 0.00 0.07 0.00 0.00 179.01 179.76 1x4h n ALA 81 N -2.46 -3.64 -1.11 1.06 0.00 -0.34 -4.98 120.51 109.04 1x4h n ALA 81 Ca -0.08 -1.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.02 1x4h n ALA 81 Cb 0.42 -0.10 0.18 0.00 0.00 0.00 0.00 19.45 19.95 1x4h n ALA 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x4h s GLU 82 N -4.35 0.40 0.00 0.00 8.01 -1.25 -4.06 118.70 117.45 1x4h s GLU 82 Ca 0.46 0.60 0.00 0.00 0.01 0.00 0.00 54.97 56.04 1x4h s GLU 82 Cb -0.08 -1.73 0.00 0.00 -4.31 0.00 0.00 34.13 28.01 1x4h s GLU 82 CO 0.39 -2.77 0.00 0.41 0.01 0.00 0.00 175.26 173.30 1x4h n GLY 83 N -0.90 1.54 0.00 -1.39 0.00 -1.26 -4.21 105.19 98.97 1x4h n GLY 83 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1x4h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4h n GLY 84 N 0.00 0.06 3.09 -0.02 0.00 -1.26 -5.07 105.19 102.00 1x4h n GLY 84 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1x4h n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4h s GLY 85 N 0.00 0.64 0.34 -0.02 0.00 -1.06 -3.20 107.32 104.01 1x4h s GLY 85 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 1x4h s GLY 85 CO 0.00 -0.71 0.70 1.08 0.00 0.00 0.00 173.10 174.17 1x4h s LEU 86 N -1.10 3.99 -0.12 0.66 1.02 -0.80 -4.90 118.68 117.44 1x4h s LEU 86 Ca -0.01 1.12 -0.05 0.00 0.02 0.00 0.00 54.13 55.20 1x4h s LEU 86 Cb -0.07 -3.94 0.05 0.00 0.02 0.00 0.00 46.19 42.24 1x4h s LEU 86 CO 0.01 -0.26 0.26 -0.54 0.02 0.00 0.00 176.35 175.85 1x4h s LYS 87 N -3.33 0.21 -0.47 1.70 1.02 -1.26 -2.02 119.74 115.60 1x4h s LYS 87 Ca 0.51 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 57.01 1x4h s LYS 87 Cb -0.10 -0.09 0.12 0.00 -0.52 0.00 0.00 37.83 37.23 1x4h s LYS 87 CO 0.24 -0.19 0.33 -1.17 -0.92 0.00 0.00 175.35 173.65 1x4h s LEU 88 N 1.50 5.66 -0.32 3.17 2.96 0.03 -4.56 118.68 127.13 1x4h s LEU 88 Ca -0.07 -1.94 -0.01 0.00 -0.22 0.00 0.00 54.13 51.89 1x4h s LEU 88 Cb -0.11 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1x4h s LEU 88 CO -0.09 -0.68 0.27 0.47 -1.32 0.00 0.00 176.35 175.00 1x4h n ASP 89 N 4.86 -2.30 -0.54 3.68 8.00 -1.26 -3.26 116.55 125.73 1x4h n ASP 89 Ca -0.07 -0.15 -0.07 0.00 0.71 0.00 0.00 54.79 55.21 1x4h n ASP 89 Cb 0.41 -1.68 -0.03 0.00 -0.02 0.00 0.00 41.12 39.80 1x4h n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4h n GLY 90 N -1.00 0.82 3.27 0.44 0.00 -1.26 -4.98 105.19 102.49 1x4h n GLY 90 Ca -0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1x4h n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4h s ARG 91 N -2.26 3.24 0.23 1.61 1.81 -1.20 -5.09 118.95 117.29 1x4h s ARG 91 Ca 0.00 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 52.98 1x4h s ARG 91 Cb 0.00 -2.70 -0.10 0.00 -0.45 0.00 0.00 34.95 31.69 1x4h s ARG 91 CO 0.00 -0.04 1.48 -1.14 -0.68 0.00 0.00 175.30 174.92 1x4h s GLN 92 N 0.97 4.25 0.00 3.54 -0.44 -1.26 -0.79 119.66 125.92 1x4h s GLN 92 Ca -0.02 2.33 0.05 0.00 -2.50 0.00 0.00 55.36 55.22 1x4h s GLN 92 Cb -0.15 -3.11 -0.03 0.00 -1.64 0.00 0.00 33.01 28.08 1x4h s GLN 92 CO -0.02 -0.47 -0.15 -0.51 0.50 0.00 0.00 175.29 174.64 1x4h s LEU 93 N -0.06 2.73 -0.38 3.68 1.43 -0.86 -4.70 118.68 120.53 1x4h s LEU 93 Ca 0.62 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1x4h s LEU 93 Cb -0.43 -1.58 0.09 0.00 0.03 0.00 0.00 46.19 44.31 1x4h s LEU 93 CO 0.41 0.29 0.15 -0.54 0.23 0.00 0.00 176.35 176.89 1x4h s LYS 94 N -1.16 2.08 -0.21 1.70 1.02 -0.31 -4.57 119.74 118.29 1x4h s LYS 94 Ca 0.14 -1.68 -0.11 0.00 0.02 0.00 0.00 55.97 54.33 1x4h s LYS 94 Cb -0.11 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1x4h s LYS 94 CO 0.04 -0.95 0.19 0.08 -0.92 0.00 0.00 175.35 173.78 1x4h s VAL 95 N 1.16 5.36 -0.01 3.17 1.01 -1.25 -0.07 120.40 129.76 1x4h s VAL 95 Ca 0.05 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1x4h s VAL 95 Cb -0.22 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1x4h s VAL 95 CO -0.04 0.38 0.07 -0.62 0.00 0.00 0.00 175.10 174.89 1x4h s ASP 96 N 0.71 0.02 -0.51 3.32 2.15 -0.22 -4.73 116.67 117.40 1x4h s ASP 96 Ca 0.10 -0.07 -0.26 0.00 0.43 0.00 0.00 52.55 52.75 1x4h s ASP 96 Cb -0.13 0.16 -0.06 0.00 -0.30 0.00 0.00 42.92 42.59 1x4h s ASP 96 CO 0.02 -0.16 2.32 -0.22 -0.17 0.00 0.00 175.17 176.95 1x4h s LEU 97 N -0.61 3.39 0.91 -1.34 1.98 -1.26 -0.10 118.68 121.63 1x4h s LEU 97 Ca -0.07 0.95 -0.11 0.00 -2.89 0.00 0.00 54.13 52.00 1x4h s LEU 97 Cb -0.04 -2.51 0.19 0.00 0.66 0.00 0.00 46.19 44.50 1x4h s LEU 97 CO 0.00 -2.80 1.24 0.00 -1.89 0.00 0.00 176.35 172.90 1x4h s ALA 98 N 11.70 2.68 -0.27 5.97 0.00 -1.26 -4.92 121.76 135.66 1x4h s ALA 98 Ca 0.92 -1.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1x4h s ALA 98 Cb -0.16 -2.49 0.09 0.00 0.00 0.00 0.00 23.12 20.55 1x4h s ALA 98 CO 0.25 -2.23 0.80 0.54 0.00 0.00 0.00 175.76 175.12 1x4h s VAL 99 N -3.69 0.00 -0.43 0.00 0.11 -1.26 -4.55 120.40 110.58 1x4h s VAL 99 Ca 0.73 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.52 1x4h s VAL 99 Cb -0.03 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.76 1x4h s VAL 99 CO 0.51 0.00 2.28 -0.89 -3.33 0.00 0.00 175.10 173.67 1x4h s THR 100 N 0.52 3.07 0.02 5.04 2.01 -1.26 -4.94 115.64 120.10 1x4h s THR 100 Ca -0.01 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1x4h s THR 100 Cb -0.05 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1x4h s THR 100 CO -0.04 -0.12 -0.23 -0.60 -0.69 0.00 0.00 174.62 172.94 1x4h s ARG 101 N 7.57 1.65 -0.30 4.92 3.52 -1.26 -5.12 118.95 129.94 1x4h s ARG 101 Ca 0.94 -0.95 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1x4h s ARG 101 Cb -0.21 -1.73 -0.00 0.00 -1.56 0.00 0.00 34.95 31.45 1x4h s ARG 101 CO 0.28 0.45 0.12 0.16 -0.81 0.00 0.00 175.30 175.50 1x4h s ASP 102 N -0.98 5.37 -0.75 -2.12 -4.77 -1.26 -5.02 116.67 107.15 1x4h s ASP 102 Ca 0.09 -0.54 -0.30 0.00 -3.30 0.00 0.00 52.55 48.49 1x4h s ASP 102 Cb -0.09 -1.96 -0.16 0.00 -1.09 0.00 0.00 42.92 39.62 1x4h s ASP 102 CO 0.01 -0.17 2.53 -0.62 0.70 0.00 0.00 175.17 177.62 1x4h n GLU 103 N 4.94 0.44 -3.79 2.11 4.71 -1.26 -4.87 120.64 122.91 1x4h n GLU 103 Ca -0.14 0.03 -0.13 0.00 -0.01 0.00 0.00 57.16 56.91 1x4h n GLU 103 Cb 0.49 -2.21 -0.10 0.00 -1.01 0.00 0.00 31.44 28.60 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x4h s ALA 104 N 9.72 -0.62 0.16 0.62 0.00 -1.26 -5.17 121.76 125.20 1x4h s ALA 104 Ca 1.21 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.62 1x4h s ALA 104 Cb -0.89 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1x4h s ALA 104 CO 0.43 -0.17 0.15 0.00 0.00 0.00 0.00 175.76 176.17 1x4h s ALA 105 N -0.47 0.62 0.08 0.00 0.00 -1.26 -5.18 121.76 115.56 1x4h s ALA 105 Ca -0.06 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1x4h s ALA 105 Cb -0.04 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1x4h s ALA 105 CO 0.01 -0.57 -0.16 0.45 0.00 0.00 0.00 175.76 175.50 1x4h s SER 106 N -3.04 1.92 0.00 0.00 0.15 -1.26 -5.13 113.70 106.33 1x4h s SER 106 Ca 0.25 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x4h s SER 106 Cb 0.06 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1x4h s SER 106 CO 0.03 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1x4h n GLY 107 N 1.23 -0.80 3.61 9.45 0.00 -1.26 -5.11 105.19 112.30 1x4h n GLY 107 Ca -0.21 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1x4h n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4h s PRO 108 N -0.20 3.50 -0.20 1.61 0.04 -1.26 -4.95 135.00 133.55 1x4h s PRO 108 Ca 0.00 1.39 -0.28 0.00 0.04 0.00 0.00 61.00 62.15 1x4h s PRO 108 Cb 0.00 -4.12 0.12 0.00 0.04 0.00 0.00 34.50 30.54 1x4h s PRO 108 CO 0.00 -1.65 0.96 -1.54 0.04 0.00 0.00 177.00 174.81 1x4h s SER 109 N 5.18 -0.45 -0.27 6.66 1.04 -1.26 -5.18 113.70 119.42 1x4h s SER 109 Ca 0.74 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 57.60 1x4h s SER 109 Cb -0.21 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.57 1x4h s SER 109 CO 0.32 -0.30 0.76 -0.44 0.98 0.00 0.00 173.24 174.56 1x4h s SER 110 N -0.58 -0.75 0.00 7.02 0.01 -1.26 -5.27 113.70 112.87 1x4h s SER 110 Ca -0.01 1.37 0.12 0.00 1.31 0.00 0.00 55.95 58.74 1x4h s SER 110 Cb -0.02 1.37 0.70 0.00 0.21 0.00 0.00 66.02 68.27 1x4h s SER 110 CO -0.00 -0.23 1.13 0.61 0.41 0.00 0.00 173.24 175.16