#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 -0.15 0.05 1.61 0.15 -1.26 -5.19 113.70 108.91 1x4h s SER 2 Ca 0.00 -0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.36 1x4h s SER 2 Cb 0.00 0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 1x4h s SER 2 CO 0.00 -0.27 1.02 -0.94 1.20 0.00 0.00 173.24 174.25 1x4h s SER 3 N -2.25 -0.20 0.00 5.45 1.04 -1.26 -5.14 113.70 111.33 1x4h s SER 3 Ca 0.09 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1x4h s SER 3 Cb -0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x4h s SER 3 CO -0.05 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1x4h n GLY 4 N -0.38 0.61 3.23 7.32 0.00 -1.26 -5.12 105.19 109.60 1x4h n GLY 4 Ca -0.07 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1x4h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4h s SER 5 N 0.00 5.77 -0.01 1.61 0.01 -1.26 -5.05 113.70 114.77 1x4h s SER 5 Ca 0.00 -1.85 -0.01 0.00 1.31 0.00 0.00 55.95 55.40 1x4h s SER 5 Cb 0.00 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.20 1x4h s SER 5 CO 0.00 -0.70 0.03 -0.94 0.41 0.00 0.00 173.24 172.04 1x4h s SER 6 N 2.75 -0.01 0.00 2.44 1.04 -1.26 -5.14 113.70 113.53 1x4h s SER 6 Ca 0.05 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1x4h s SER 6 Cb -0.26 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1x4h s SER 6 CO 0.00 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1x4h n GLY 7 N 3.31 2.09 3.89 7.32 0.00 -1.26 -5.17 105.19 115.36 1x4h n GLY 7 Ca -0.15 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1x4h n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4h s LEU 8 N 0.00 4.06 0.33 0.99 1.43 -1.26 -4.98 118.68 119.25 1x4h s LEU 8 Ca 0.00 0.88 0.26 0.00 -1.03 0.00 0.00 54.13 54.24 1x4h s LEU 8 Cb 0.00 -3.68 1.09 0.00 0.03 0.00 0.00 46.19 43.62 1x4h s LEU 8 CO 0.00 -0.19 1.78 1.55 0.23 0.00 0.00 176.35 179.72 1x4h h PRO 9 N 1.92 0.00 -6.35 1.29 0.13 -2.08 -3.46 132.00 123.45 1x4h h PRO 9 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1x4h h PRO 9 Cb 1.18 0.00 0.25 0.00 0.13 0.00 0.00 31.00 32.56 1x4h h PRO 9 CO 0.67 0.00 -1.82 0.43 -0.23 0.00 0.00 178.00 177.05 1x4h n SER 10 N -2.44 -2.84 -4.36 1.44 7.64 -1.26 -4.96 113.62 106.84 1x4h n SER 10 Ca 0.02 -0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.51 1x4h n SER 10 Cb 0.24 -0.76 -0.13 0.00 -1.01 0.00 0.00 64.21 62.54 1x4h n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x4h s ASP 11 N -1.44 4.51 -0.61 6.43 -1.08 -1.26 -5.07 116.67 118.16 1x4h s ASP 11 Ca 0.47 -0.32 -0.26 0.00 -0.52 0.00 0.00 52.55 51.91 1x4h s ASP 11 Cb -0.03 -1.78 0.04 0.00 -1.46 0.00 0.00 42.92 39.69 1x4h s ASP 11 CO 0.67 0.01 1.10 -0.69 0.52 0.00 0.00 175.17 176.78 1x4h s VAL 12 N 1.32 4.12 0.02 1.11 1.01 -1.26 -5.01 120.40 121.71 1x4h s VAL 12 Ca 0.04 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.58 1x4h s VAL 12 Cb -0.14 -4.70 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 1x4h s VAL 12 CO -0.01 -1.37 -0.20 0.42 0.00 0.00 0.00 175.10 173.95 1x4h s THR 13 N 4.68 1.57 -1.05 3.92 -4.23 -1.26 -5.07 115.64 114.20 1x4h s THR 13 Ca 0.35 -1.02 -0.23 0.00 -1.18 0.00 0.00 61.69 59.62 1x4h s THR 13 Cb -0.10 -1.34 0.03 0.00 1.34 0.00 0.00 72.50 72.43 1x4h s THR 13 CO 0.20 0.29 1.58 -1.61 -0.54 0.00 0.00 174.62 174.55 1x4h s GLU 14 N -0.86 3.45 -0.31 3.99 0.41 -1.26 -4.70 118.70 119.43 1x4h s GLU 14 Ca 0.07 -1.12 0.19 0.00 -0.41 0.00 0.00 54.97 53.70 1x4h s GLU 14 Cb -0.08 -5.34 0.47 0.00 -1.78 0.00 0.00 34.13 27.40 1x4h s GLU 14 CO 0.01 -2.46 1.06 0.41 -0.49 0.00 0.00 175.26 173.80 1x4h n GLY 15 N 6.63 1.61 3.12 -1.39 0.00 -1.26 -5.07 105.19 108.83 1x4h n GLY 15 Ca 0.37 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.89 2.86 0.03 1.61 1.02 -1.26 -4.91 119.74 116.20 1x4h s LYS 16 Ca 0.26 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 1x4h s LYS 16 Cb 0.41 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1x4h s LYS 16 CO -0.00 -0.29 -0.02 0.99 -0.92 0.00 0.00 175.35 175.11 1x4h s THR 17 N 1.26 0.14 -0.16 2.17 2.01 -1.26 -4.17 115.64 115.63 1x4h s THR 17 Ca 0.02 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.83 1x4h s THR 17 Cb -0.15 -0.62 0.08 0.00 0.01 0.00 0.00 72.50 71.83 1x4h s THR 17 CO -0.11 -0.63 0.31 0.68 -0.69 0.00 0.00 174.62 174.19 1x4h s VAL 18 N -2.14 -0.49 -0.18 3.82 -7.23 -0.58 -3.75 120.40 109.85 1x4h s VAL 18 Ca -0.10 0.20 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 1x4h s VAL 18 Cb -0.05 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1x4h s VAL 18 CO -0.03 0.07 -0.04 0.12 -0.31 0.00 0.00 175.10 174.90 1x4h s PHE 19 N 2.48 2.98 -0.14 2.82 5.36 0.86 -0.04 117.98 132.30 1x4h s PHE 19 Ca 0.02 -0.55 -0.08 0.00 -0.96 0.00 0.00 56.93 55.36 1x4h s PHE 19 Cb -0.12 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1x4h s PHE 19 CO -0.10 -0.25 0.13 0.42 -1.46 0.00 0.00 175.22 173.96 1x4h s ILE 20 N 0.82 5.45 0.37 3.12 1.09 0.40 -1.09 121.20 131.37 1x4h s ILE 20 Ca -0.01 0.19 0.05 0.00 -1.10 0.00 0.00 60.65 59.79 1x4h s ILE 20 Cb -0.15 -3.40 -0.07 0.00 -1.06 0.00 0.00 42.46 37.78 1x4h s ILE 20 CO 0.02 0.57 0.03 -0.13 -0.10 0.00 0.00 174.94 175.33 1x4h s ARG 21 N -0.65 1.81 -1.44 2.79 0.52 0.71 -1.56 118.95 121.13 1x4h s ARG 21 Ca 0.13 -2.01 -0.09 0.00 -0.52 0.00 0.00 55.73 53.24 1x4h s ARG 21 Cb -0.12 -1.26 0.05 0.00 0.52 0.00 0.00 34.95 34.14 1x4h s ARG 21 CO 0.02 -0.11 0.95 -1.71 0.02 0.00 0.00 175.30 174.47 1x4h n ASN 22 N -0.83 -4.07 -4.83 0.23 5.15 -0.75 -2.34 115.26 107.83 1x4h n ASN 22 Ca -0.04 -0.74 -0.32 0.00 -0.60 0.00 0.00 54.58 52.88 1x4h n ASN 22 Cb 0.67 -4.17 -0.01 0.00 -0.53 0.00 0.00 39.78 35.74 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 -7.10 3.49 -0.16 1.20 1.43 -0.97 -4.63 118.68 111.93 1x4h s LEU 23 Ca 0.46 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1x4h s LEU 23 Cb -0.23 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 1x4h s LEU 23 CO 0.81 -0.91 0.20 -0.94 0.23 0.00 0.00 176.35 175.74 1x4h s SER 24 N -3.14 6.35 0.51 2.29 1.04 -1.26 -4.45 113.70 115.05 1x4h s SER 24 Ca 0.60 0.41 0.37 0.00 0.48 0.00 0.00 55.95 57.81 1x4h s SER 24 Cb -0.13 -2.12 1.53 0.00 0.10 0.00 0.00 66.02 65.40 1x4h s SER 24 CO 0.38 0.21 1.71 -0.26 0.98 0.00 0.00 173.24 176.26 1x4h h PHE 25 N 6.20 0.16 -0.41 5.02 0.04 -1.97 1.01 116.94 127.00 1x4h h PHE 25 Ca -0.45 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.21 1x4h h PHE 25 Cb 1.18 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1x4h h PHE 25 CO 0.63 -0.03 -0.22 0.22 -0.60 0.00 0.00 178.31 178.31 1x4h h ASP 26 N 0.06 0.83 -2.37 2.17 3.58 -1.98 -3.45 116.42 115.26 1x4h h ASP 26 Ca 0.71 -0.30 -0.52 0.00 0.42 0.00 0.00 57.03 57.34 1x4h h ASP 26 Cb 2.64 -0.23 0.23 0.00 1.72 0.00 0.00 39.33 43.70 1x4h h ASP 26 CO -0.11 1.02 -1.45 -0.24 -2.88 0.00 0.00 179.24 175.58 1x4h n SER 27 N -4.11 -3.74 -3.97 2.28 2.88 0.35 -5.02 113.62 102.29 1x4h n SER 27 Ca 0.00 0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.60 1x4h n SER 27 Cb 0.44 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 1x4h n SER 27 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x4h s GLU 28 N -2.76 1.15 0.33 -1.46 2.02 -1.26 -4.98 118.70 111.74 1x4h s GLU 28 Ca 0.47 -1.18 0.02 0.00 0.02 0.00 0.00 54.97 54.30 1x4h s GLU 28 Cb -0.14 0.37 0.59 0.00 0.10 0.00 0.00 34.13 35.05 1x4h s GLU 28 CO 0.73 -0.42 1.93 1.49 0.02 0.00 0.00 175.26 179.01 1x4h h GLU 29 N 2.55 0.72 0.35 1.61 4.81 -1.95 0.27 114.58 122.94 1x4h h GLU 29 Ca -0.32 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1x4h h GLU 29 Cb 1.23 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1x4h h GLU 29 CO 0.49 0.58 -0.17 1.49 -0.73 0.00 0.00 179.01 180.67 1x4h h GLU 30 N 0.72 -0.45 0.37 1.92 4.81 -1.96 -2.92 114.58 117.07 1x4h h GLU 30 Ca 0.18 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1x4h h GLU 30 Cb 0.12 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1x4h h GLU 30 CO -0.02 -0.14 -0.18 0.00 -0.73 0.00 0.00 179.01 177.94 1x4h h ALA 31 N -0.66 -0.49 -0.80 2.92 0.00 -1.95 -1.75 119.26 116.53 1x4h h ALA 31 Ca -0.05 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1x4h h ALA 31 Cb 0.51 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 1x4h h ALA 31 CO 0.08 -0.76 -0.36 1.25 0.00 0.00 0.00 179.25 179.46 1x4h h LEU 32 N -0.54 -1.30 0.44 0.00 6.46 -0.59 -1.24 115.31 118.54 1x4h h LEU 32 Ca -0.05 0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1x4h h LEU 32 Cb 0.40 0.67 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1x4h h LEU 32 CO 0.08 -0.30 -0.21 1.23 -0.62 0.00 0.00 178.44 178.63 1x4h h GLY 33 N -0.08 -0.62 0.38 3.75 0.00 -1.42 -2.21 103.07 102.88 1x4h h GLY 33 Ca 0.29 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1x4h h GLY 33 CO -0.84 -0.22 0.74 0.83 0.00 0.00 0.00 176.54 177.05 1x4h h GLU 34 N -0.65 0.00 0.12 4.80 4.39 -0.33 0.68 114.58 123.59 1x4h h GLU 34 Ca -0.06 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 1x4h h GLU 34 Cb 0.49 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1x4h h GLU 34 CO 0.10 0.00 -0.83 0.28 -1.16 0.00 0.00 179.01 177.39 1x4h h VAL 35 N 0.00 1.47 0.02 3.13 2.07 -0.68 -3.33 116.25 118.93 1x4h h VAL 35 Ca 0.11 -2.45 -0.25 0.00 0.82 0.00 0.00 66.70 64.93 1x4h h VAL 35 Cb 1.60 3.05 0.01 0.00 -1.52 0.00 0.00 31.29 34.43 1x4h h VAL 35 CO -0.00 0.70 -1.02 -0.07 0.02 0.00 0.00 177.57 177.20 1x4h h LEU 36 N -0.26 0.69 -0.93 2.57 3.38 0.31 -3.27 115.31 117.80 1x4h h LEU 36 Ca -0.14 -0.56 0.26 0.00 0.09 0.00 0.00 57.88 57.52 1x4h h LEU 36 Cb 1.62 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 42.03 1x4h h LEU 36 CO 0.16 1.37 0.41 1.56 0.09 0.00 0.00 178.44 182.02 1x4h h GLN 37 N 0.28 0.32 -0.94 1.13 4.20 -0.82 0.95 115.11 120.23 1x4h h GLN 37 Ca -0.11 -0.02 0.38 0.00 0.06 0.00 0.00 58.65 58.97 1x4h h GLN 37 Cb 1.67 -0.07 -0.16 0.00 0.30 0.00 0.00 27.48 29.22 1x4h h GLN 37 CO 0.19 0.21 0.52 0.00 -0.67 0.00 0.00 178.83 179.08 1x4h n GLN 38 N -5.10 -0.05 -0.03 1.46 10.64 -1.23 0.44 117.38 123.51 1x4h n GLN 38 Ca 0.25 1.23 -0.16 0.00 -1.83 0.00 0.00 57.00 56.49 1x4h n GLN 38 Cb 0.77 -2.23 -0.13 0.00 -0.86 0.00 0.00 30.24 27.78 1x4h n GLN 38 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1x4h h PHE 39 N 0.00 0.17 -1.93 2.61 -1.00 -1.04 -3.49 116.94 112.26 1x4h h PHE 39 Ca 0.77 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 61.45 1x4h h PHE 39 Cb 2.09 -0.01 -0.20 0.00 3.61 0.00 0.00 35.95 41.45 1x4h h PHE 39 CO -0.01 1.10 0.38 0.20 -1.61 0.00 0.00 178.31 178.37 1x4h s GLY 40 N -4.29 -0.44 0.05 -1.45 0.00 0.17 -4.92 107.32 96.44 1x4h s GLY 40 Ca -0.17 1.50 -0.37 0.00 0.00 0.00 0.00 44.72 45.68 1x4h s GLY 40 CO 0.73 0.85 1.41 1.22 0.00 0.00 0.00 173.10 177.31 1x4h n ASP 41 N 0.59 1.87 -4.57 1.64 8.00 -1.26 -3.96 116.55 118.86 1x4h n ASP 41 Ca -0.14 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.05 1x4h n ASP 41 Cb 0.59 -1.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.42 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 0.88 4.22 0.25 0.64 1.43 -1.26 -1.29 118.68 123.56 1x4h s LEU 42 Ca 0.85 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1x4h s LEU 42 Cb -0.94 -2.86 0.43 0.00 0.03 0.00 0.00 46.19 42.86 1x4h s LEU 42 CO 0.48 -0.64 1.82 0.50 0.23 0.00 0.00 176.35 178.74 1x4h h LYS 43 N 8.47 0.85 -1.79 1.70 1.63 0.92 -3.45 116.57 124.90 1x4h h LYS 43 Ca -0.26 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1x4h h LYS 43 Cb 1.11 -0.19 -0.22 0.00 -0.60 0.00 0.00 32.23 32.33 1x4h h LYS 43 CO 0.86 0.56 0.34 1.52 -3.45 0.00 0.00 179.45 179.28 1x4h s TYR 44 N -6.02 -0.56 -0.18 1.91 -0.85 -1.15 -4.99 117.35 105.52 1x4h s TYR 44 Ca -0.12 1.10 -0.02 0.00 -0.52 0.00 0.00 57.07 57.51 1x4h s TYR 44 Cb 0.20 0.39 0.05 0.00 0.38 0.00 0.00 41.96 42.99 1x4h s TYR 44 CO 0.79 -0.42 0.00 0.54 -1.52 0.00 0.00 175.55 174.94 1x4h s VAL 45 N -0.67 0.75 -0.06 -3.49 0.11 -1.26 -1.31 120.40 114.46 1x4h s VAL 45 Ca -0.04 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1x4h s VAL 45 Cb -0.02 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1x4h s VAL 45 CO 0.03 -0.08 -0.16 -0.60 -3.33 0.00 0.00 175.10 170.96 1x4h s ARG 46 N 1.77 1.95 -0.28 1.54 3.52 -0.47 -4.98 118.95 122.01 1x4h s ARG 46 Ca -0.01 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1x4h s ARG 46 Cb -0.16 -1.61 0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1x4h s ARG 46 CO -0.07 0.14 -0.06 0.54 -0.81 0.00 0.00 175.30 175.03 1x4h s VAL 47 N 0.36 2.54 0.18 7.11 0.11 -1.26 -0.83 120.40 128.60 1x4h s VAL 47 Ca -0.11 -1.50 -0.32 0.00 -2.93 0.00 0.00 61.98 57.12 1x4h s VAL 47 Cb -0.14 -2.47 -0.12 0.00 -1.53 0.00 0.00 36.38 32.12 1x4h s VAL 47 CO 0.04 -0.05 1.75 0.55 -3.33 0.00 0.00 175.10 174.07 1x4h n VAL 48 N 4.52 0.10 -4.37 2.04 3.14 -1.25 -4.99 118.33 117.52 1x4h n VAL 48 Ca -0.14 -0.02 -0.24 0.00 -2.96 0.00 0.00 64.34 60.98 1x4h n VAL 48 Cb 0.43 -2.01 -0.09 0.00 -1.06 0.00 0.00 33.84 31.11 1x4h n VAL 48 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1x4h s LEU 49 N 1.61 2.93 0.34 6.55 1.43 -1.26 -3.01 118.68 127.26 1x4h s LEU 49 Ca 0.77 -0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 1x4h s LEU 49 Cb -0.50 -1.32 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 1x4h s LEU 49 CO 0.34 -0.17 1.22 -2.28 0.23 0.00 0.00 176.35 175.69 1x4h s HIS 50 N -2.50 3.18 0.10 0.29 2.46 0.07 -4.89 115.29 113.99 1x4h s HIS 50 Ca 0.33 1.52 -0.15 0.00 0.47 0.00 0.00 55.06 57.23 1x4h s HIS 50 Cb -0.01 -3.52 -0.09 0.00 -0.13 0.00 0.00 32.58 28.83 1x4h s HIS 50 CO 0.18 -1.41 1.42 -1.00 -2.47 0.00 0.00 174.74 171.46 1x4h h PRO 51 N 3.31 0.68 0.22 2.88 0.13 -2.00 -3.30 132.00 133.93 1x4h h PRO 51 Ca -0.48 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.28 1x4h h PRO 51 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x4h h PRO 51 CO 0.65 0.97 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.84 1x4h h ASP 52 N 0.42 -0.25 -3.59 1.44 3.32 -1.99 -3.46 116.42 112.30 1x4h h ASP 52 Ca 0.04 -0.16 -0.45 0.00 0.02 0.00 0.00 57.03 56.48 1x4h h ASP 52 Cb 0.84 0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 1x4h h ASP 52 CO 0.07 0.03 -0.60 0.28 -1.72 0.00 0.00 179.24 177.30 1x4h s THR 53 N -5.13 0.92 -1.06 0.35 -1.32 -1.24 -5.04 115.64 103.11 1x4h s THR 53 Ca -0.15 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.26 1x4h s THR 53 Cb 0.03 -2.69 -0.06 0.00 -1.51 0.00 0.00 72.50 68.27 1x4h s THR 53 CO 0.61 0.00 2.96 -0.62 -2.21 0.00 0.00 174.62 175.35 1x4h n GLU 54 N -0.66 3.39 -3.96 7.08 1.02 -1.26 -3.48 120.64 122.77 1x4h n GLU 54 Ca -0.02 -2.25 -0.35 0.00 -0.02 0.00 0.00 57.16 54.52 1x4h n GLU 54 Cb 0.66 -2.51 -0.13 0.00 -0.02 0.00 0.00 31.44 29.45 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1x4h s HIS 55 N 0.70 3.05 0.22 -0.32 3.76 -1.26 -4.90 115.29 116.54 1x4h s HIS 55 Ca 0.64 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.78 1x4h s HIS 55 Cb 0.24 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.70 1x4h s HIS 55 CO -0.07 -0.29 1.46 -1.12 -0.85 0.00 0.00 174.74 173.87 1x4h s SER 56 N 1.19 6.66 -0.02 1.40 0.01 -1.26 -0.75 113.70 120.93 1x4h s SER 56 Ca 0.03 2.61 -0.02 0.00 1.31 0.00 0.00 55.95 59.89 1x4h s SER 56 Cb -0.14 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.41 1x4h s SER 56 CO 0.02 -0.72 2.46 0.29 0.41 0.00 0.00 173.24 175.70 1x4h n LYS 57 N 2.86 1.33 -3.37 12.44 5.02 -1.16 -4.75 118.16 130.53 1x4h n LYS 57 Ca 0.09 -0.37 -0.23 0.00 -2.02 0.00 0.00 58.31 55.78 1x4h n LYS 57 Cb 0.40 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4h n GLY 58 N 1.72 -0.37 3.51 0.72 0.00 -1.26 -4.82 105.19 104.67 1x4h n GLY 58 Ca 0.14 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.76 -1.46 -0.06 0.00 0.00 -0.60 -3.90 121.76 113.98 1x4h s ALA 60 Ca -0.07 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1x4h s ALA 60 Cb -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1x4h s ALA 60 CO 0.04 -0.57 -0.23 -0.06 0.00 0.00 0.00 175.76 174.94 1x4h s PHE 61 N -2.68 2.49 0.29 0.00 0.40 -0.01 -0.45 117.98 118.01 1x4h s PHE 61 Ca -0.04 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1x4h s PHE 61 Cb -0.00 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1x4h s PHE 61 CO -0.04 -0.20 0.13 0.00 0.70 0.00 0.00 175.22 175.81 1x4h s ALA 62 N -0.14 1.91 -0.08 5.36 0.00 0.94 -1.37 121.76 128.39 1x4h s ALA 62 Ca -0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 1x4h s ALA 62 Cb -0.14 1.07 0.04 0.00 0.00 0.00 0.00 23.12 24.09 1x4h s ALA 62 CO 0.04 -0.47 0.18 -1.14 0.00 0.00 0.00 175.76 174.37 1x4h s GLN 63 N -3.91 0.14 0.61 0.00 0.74 -0.43 -1.52 119.66 115.29 1x4h s GLN 63 Ca 0.36 0.39 -0.02 0.00 0.05 0.00 0.00 55.36 56.14 1x4h s GLN 63 Cb 0.06 -0.11 0.04 0.00 1.10 0.00 0.00 33.01 34.10 1x4h s GLN 63 CO 0.16 -0.14 0.87 -0.06 -0.55 0.00 0.00 175.29 175.57 1x4h s PHE 64 N 0.99 2.89 -0.17 1.67 0.08 -1.26 0.13 117.98 122.32 1x4h s PHE 64 Ca -0.07 0.18 0.17 0.00 0.12 0.00 0.00 56.93 57.32 1x4h s PHE 64 Cb -0.09 -2.93 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 1x4h s PHE 64 CO -0.06 -1.09 1.14 0.52 -0.10 0.00 0.00 175.22 175.64 1x4h h MET 65 N -0.20 0.00 -3.79 0.44 2.86 -1.50 -3.38 114.93 109.36 1x4h h MET 65 Ca -0.43 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.02 1x4h h MET 65 Cb 1.30 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.73 1x4h h MET 65 CO 0.56 0.33 -0.67 0.95 1.06 0.00 0.00 176.91 179.14 1x4h s THR 66 N -3.00 0.06 0.17 2.22 -4.23 -1.26 -5.05 115.64 104.55 1x4h s THR 66 Ca 0.01 -0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.85 1x4h s THR 66 Cb 0.08 -0.20 0.11 0.00 1.34 0.00 0.00 72.50 73.84 1x4h s THR 66 CO 0.78 -0.28 1.67 1.56 -0.54 0.00 0.00 174.62 177.80 1x4h h GLN 67 N 5.20 0.02 -0.92 3.99 1.08 -1.90 -0.69 115.11 121.89 1x4h h GLN 67 Ca -0.29 -0.00 0.25 0.00 -1.45 0.00 0.00 58.65 57.16 1x4h h GLN 67 Cb 1.21 -0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.50 1x4h h GLN 67 CO 0.44 0.01 0.39 1.49 -0.95 0.00 0.00 178.83 180.22 1x4h h GLU 68 N 0.02 0.32 0.22 1.46 4.57 -1.99 -1.98 114.58 117.20 1x4h h GLU 68 Ca 0.21 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1x4h h GLU 68 Cb 0.32 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1x4h h GLU 68 CO -0.44 0.21 -0.22 0.00 -1.18 0.00 0.00 179.01 177.39 1x4h h ALA 69 N 1.77 -0.93 -0.94 2.92 0.00 -1.48 0.73 119.26 121.33 1x4h h ALA 69 Ca 0.60 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.70 1x4h h ALA 69 Cb 1.22 0.45 -0.17 0.00 0.00 0.00 0.00 17.79 19.30 1x4h h ALA 69 CO -0.59 -0.94 0.17 0.00 0.00 0.00 0.00 179.25 177.89 1x4h h ALA 70 N -1.40 1.33 -0.64 0.00 0.00 -1.31 0.72 119.26 117.96 1x4h h ALA 70 Ca -0.03 0.29 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1x4h h ALA 70 Cb 0.37 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1x4h h ALA 70 CO -0.03 -0.58 0.15 1.96 0.00 0.00 0.00 179.25 180.75 1x4h h GLN 71 N 0.08 1.03 0.00 0.00 1.08 -1.07 -2.07 115.11 114.16 1x4h h GLN 71 Ca 0.61 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.53 1x4h h GLN 71 Cb 1.31 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1x4h h GLN 71 CO -0.80 0.94 -0.13 0.87 -0.95 0.00 0.00 178.83 178.76 1x4h h LYS 72 N 0.96 0.00 0.15 1.46 1.57 0.28 -2.44 116.57 118.54 1x4h h LYS 72 Ca 0.20 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.69 1x4h h LYS 72 Cb 0.37 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.70 1x4h h LYS 72 CO 0.00 0.13 -1.28 0.00 -0.57 0.00 0.00 179.45 177.74 1x4h h LEU 74 N 0.14 -1.01 -1.50 0.00 3.38 -0.93 0.24 115.31 115.64 1x4h h LEU 74 Ca -0.17 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.06 1x4h h LEU 74 Cb 1.98 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 42.91 1x4h h LEU 74 CO 0.23 -0.67 0.62 0.00 0.09 0.00 0.00 178.44 178.71 1x4h h ALA 75 N -1.35 2.25 0.01 1.53 0.00 -1.64 0.37 119.26 120.42 1x4h h ALA 75 Ca -0.12 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1x4h h ALA 75 Cb 0.91 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1x4h h ALA 75 CO 0.20 -0.56 -0.89 0.00 0.00 0.00 0.00 179.25 178.00 1x4h h ALA 76 N 1.60 0.53 0.03 0.00 0.00 -1.45 -3.27 119.26 116.70 1x4h h ALA 76 Ca 0.50 -0.77 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 1x4h h ALA 76 Cb 1.28 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1x4h h ALA 76 CO -0.20 1.01 -1.03 0.00 0.00 0.00 0.00 179.25 179.03 1x4h h ALA 77 N 1.05 0.24 -1.46 0.00 0.00 0.30 -2.94 119.26 116.45 1x4h h ALA 77 Ca -0.03 -0.73 -0.53 0.00 0.00 0.00 0.00 54.91 53.62 1x4h h ALA 77 Cb 1.54 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1x4h h ALA 77 CO 0.12 0.79 1.14 0.45 0.00 0.00 0.00 179.25 181.76 1x4h s SER 78 N -7.17 5.95 0.65 0.00 0.15 0.92 -3.51 113.70 110.69 1x4h s SER 78 Ca -0.07 -0.04 0.19 0.00 0.70 0.00 0.00 55.95 56.74 1x4h s SER 78 Cb 0.08 -2.55 0.99 0.00 -1.71 0.00 0.00 66.02 62.83 1x4h s SER 78 CO 0.89 -1.92 1.54 0.17 1.20 0.00 0.00 173.24 175.12 1x4h h LEU 79 N 13.83 0.00 0.21 3.45 -0.00 -1.79 0.99 115.31 132.00 1x4h h LEU 79 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1x4h h LEU 79 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1x4h h LEU 79 CO 1.23 0.00 -0.10 -0.08 -0.00 0.00 0.00 178.44 179.49 1x4h h GLU 80 N 0.00 -0.27 -6.71 0.17 4.81 -1.88 -2.73 114.58 107.96 1x4h h GLU 80 Ca 0.08 0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.79 1x4h h GLU 80 Cb 1.42 0.06 0.08 0.00 0.63 0.00 0.00 28.75 30.94 1x4h h GLU 80 CO -0.00 0.08 0.86 0.00 -0.73 0.00 0.00 179.01 179.21 1x4h n ALA 81 N -2.43 2.29 -3.61 2.92 0.00 0.34 -2.32 120.51 117.70 1x4h n ALA 81 Ca -0.09 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.46 1x4h n ALA 81 Cb 0.25 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 1x4h n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x4h n GLU 82 N 2.59 -0.82 -3.92 0.00 1.02 -1.26 0.14 120.64 118.39 1x4h n GLU 82 Ca 0.11 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 57.08 1x4h n GLU 82 Cb 0.35 -3.14 -0.07 0.00 -0.02 0.00 0.00 31.44 28.55 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4h n GLY 83 N -1.02 -0.15 2.83 0.62 0.00 -0.98 -4.90 105.19 101.59 1x4h n GLY 83 Ca 0.05 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1x4h n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4h s GLY 84 N -3.74 0.33 0.04 -0.02 0.00 0.12 -4.97 107.32 99.09 1x4h s GLY 84 Ca 0.17 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.96 1x4h s GLY 84 CO 0.79 0.64 -0.05 -0.32 0.00 0.00 0.00 173.10 174.16 1x4h s GLY 85 N 1.15 0.42 0.26 0.20 0.00 -1.15 -2.95 107.32 105.26 1x4h s GLY 85 Ca -0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 1x4h s GLY 85 CO -0.02 -0.87 0.62 1.08 0.00 0.00 0.00 173.10 173.91 1x4h s LEU 86 N -1.82 4.15 -0.06 0.66 1.02 -1.12 -4.92 118.68 116.58 1x4h s LEU 86 Ca -0.08 1.07 -0.10 0.00 0.02 0.00 0.00 54.13 55.04 1x4h s LEU 86 Cb -0.07 -3.80 0.02 0.00 0.02 0.00 0.00 46.19 42.37 1x4h s LEU 86 CO -0.02 -0.11 0.26 -0.54 0.02 0.00 0.00 176.35 175.96 1x4h s LYS 87 N -2.79 0.44 -0.18 1.70 1.02 -1.26 -2.07 119.74 116.59 1x4h s LYS 87 Ca 0.49 0.08 -0.03 0.00 0.02 0.00 0.00 55.97 56.53 1x4h s LYS 87 Cb -0.11 0.20 0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1x4h s LYS 87 CO 0.20 -0.09 0.04 -1.17 -0.92 0.00 0.00 175.35 173.41 1x4h s LEU 88 N -0.54 0.99 -1.48 3.17 2.96 -0.04 -4.80 118.68 118.94 1x4h s LEU 88 Ca -0.06 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1x4h s LEU 88 Cb -0.04 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.13 1x4h s LEU 88 CO 0.02 -0.30 0.00 0.47 -1.32 0.00 0.00 176.35 175.21 1x4h n ASP 89 N 5.10 -5.06 0.00 3.68 8.00 -1.26 -2.12 116.55 124.88 1x4h n ASP 89 Ca -0.08 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1x4h n ASP 89 Cb 0.48 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 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 -1.01 0.61 2.97 0.44 0.00 -1.26 -5.06 105.19 101.87 1x4h n GLY 90 Ca -0.20 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.76 1.89 -0.40 1.61 1.81 -0.90 -5.09 118.95 115.11 1x4h s ARG 91 Ca 0.00 -0.40 -0.28 0.00 -1.72 0.00 0.00 55.73 53.33 1x4h s ARG 91 Cb 0.00 -1.80 -0.02 0.00 -0.45 0.00 0.00 34.95 32.68 1x4h s ARG 91 CO 0.00 -0.22 1.85 -1.14 -0.68 0.00 0.00 175.30 175.10 1x4h s GLN 92 N 1.51 3.12 0.14 3.54 -0.44 -1.26 -0.86 119.66 125.40 1x4h s GLN 92 Ca 0.03 1.25 -0.30 0.00 -2.50 0.00 0.00 55.36 53.84 1x4h s GLN 92 Cb -0.13 -4.26 -0.07 0.00 -1.64 0.00 0.00 33.01 26.91 1x4h s GLN 92 CO -0.08 -2.12 1.25 -0.51 0.50 0.00 0.00 175.29 174.33 1x4h s LEU 93 N 7.65 4.41 -0.43 3.68 1.43 -0.88 -4.73 118.68 129.81 1x4h s LEU 93 Ca 0.78 2.21 -0.07 0.00 -1.03 0.00 0.00 54.13 56.02 1x4h s LEU 93 Cb -0.20 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1x4h s LEU 93 CO 0.30 -0.48 0.26 -0.54 0.23 0.00 0.00 176.35 176.12 1x4h s LYS 94 N 0.43 2.41 -0.20 1.70 3.01 -0.99 -4.63 119.74 121.47 1x4h s LYS 94 Ca 0.57 -1.63 -0.10 0.00 -1.01 0.00 0.00 55.97 53.81 1x4h s LYS 94 Cb -0.33 -3.75 -0.05 0.00 -1.01 0.00 0.00 37.83 32.69 1x4h s LYS 94 CO 0.33 -1.04 0.12 0.08 0.51 0.00 0.00 175.35 175.35 1x4h s VAL 95 N 1.33 5.32 -0.04 3.17 1.01 -1.25 -0.21 120.40 129.73 1x4h s VAL 95 Ca 0.05 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1x4h s VAL 95 Cb -0.24 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1x4h s VAL 95 CO -0.00 0.44 0.16 -0.62 0.00 0.00 0.00 175.10 175.08 1x4h s ASP 96 N 0.38 -0.11 -0.52 3.32 2.15 -0.25 -4.75 116.67 116.90 1x4h s ASP 96 Ca 0.07 0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.94 1x4h s ASP 96 Cb -0.11 0.30 -0.06 0.00 -0.30 0.00 0.00 42.92 42.75 1x4h s ASP 96 CO -0.01 -0.17 2.32 -0.22 -0.17 0.00 0.00 175.17 176.91 1x4h s LEU 97 N -0.45 3.37 0.00 -1.34 1.98 -1.26 -0.10 118.68 120.89 1x4h s LEU 97 Ca -0.05 0.93 -0.08 0.00 -2.89 0.00 0.00 54.13 52.03 1x4h s LEU 97 Cb -0.04 -2.51 0.14 0.00 0.66 0.00 0.00 46.19 44.45 1x4h s LEU 97 CO 0.01 -2.83 0.89 0.00 -1.89 0.00 0.00 176.35 172.52 1x4h n ALA 98 N 15.51 -0.71 -3.76 5.97 0.00 -1.25 -4.92 120.51 131.35 1x4h n ALA 98 Ca 0.34 -1.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.33 1x4h n ALA 98 Cb 0.54 0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.87 1x4h n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x4h s VAL 99 N -2.81 -0.06 0.20 0.00 0.11 -1.26 -4.54 120.40 112.04 1x4h s VAL 99 Ca 0.52 0.22 -0.32 0.00 -2.93 0.00 0.00 61.98 59.48 1x4h s VAL 99 Cb -0.02 -0.12 -0.15 0.00 -1.53 0.00 0.00 36.38 34.57 1x4h s VAL 99 CO 0.36 0.09 1.19 1.07 -3.33 0.00 0.00 175.10 174.48 1x4h n THR 100 N 4.24 1.08 -3.53 5.04 5.66 -1.26 -4.97 114.28 120.53 1x4h n THR 100 Ca -0.27 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1x4h n THR 100 Cb 0.50 -0.99 -0.05 0.00 -1.55 0.00 0.00 70.33 68.24 1x4h n THR 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4h s ARG 101 N -0.57 0.28 -0.35 1.09 1.70 -1.26 -5.13 118.95 114.71 1x4h s ARG 101 Ca 0.70 0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 56.22 1x4h s ARG 101 Cb -0.79 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 33.79 1x4h s ARG 101 CO 0.53 -0.07 1.11 0.16 -1.08 0.00 0.00 175.30 175.95 1x4h s ASP 102 N 1.71 6.84 -0.67 -2.89 1.47 -1.26 -4.98 116.67 116.89 1x4h s ASP 102 Ca -0.06 0.94 -0.06 0.00 1.18 0.00 0.00 52.55 54.55 1x4h s ASP 102 Cb -0.04 -2.54 0.17 0.00 -0.34 0.00 0.00 42.92 40.17 1x4h s ASP 102 CO -0.15 -0.98 0.52 -1.83 0.68 0.00 0.00 175.17 173.41 1x4h s GLU 103 N 3.88 2.83 -0.41 2.11 -1.05 -1.26 -5.00 118.70 119.80 1x4h s GLU 103 Ca 0.47 -2.45 0.02 0.00 -0.15 0.00 0.00 54.97 52.86 1x4h s GLU 103 Cb -0.12 -3.93 0.13 0.00 -0.44 0.00 0.00 34.13 29.77 1x4h s GLU 103 CO 0.20 -1.21 0.20 0.00 0.95 0.00 0.00 175.26 175.40 1x4h s ALA 104 N 0.11 2.11 0.27 -0.84 0.00 -1.26 -5.11 121.76 117.04 1x4h s ALA 104 Ca 0.16 -2.43 0.10 0.00 0.00 0.00 0.00 51.96 49.79 1x4h s ALA 104 Cb -0.18 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1x4h s ALA 104 CO -0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 175.76 173.71 1x4h s ALA 105 N 0.61 3.10 -0.28 0.00 0.00 -1.26 -5.14 121.76 118.79 1x4h s ALA 105 Ca 0.16 -1.70 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 1x4h s ALA 105 Cb -0.23 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.32 1x4h s ALA 105 CO -0.05 0.26 0.83 -1.12 0.00 0.00 0.00 175.76 175.68 1x4h s SER 106 N -3.65 -0.70 -0.32 0.00 0.01 -1.26 -5.12 113.70 102.66 1x4h s SER 106 Ca 0.31 1.21 -0.09 0.00 1.31 0.00 0.00 55.95 58.70 1x4h s SER 106 Cb -0.06 1.27 0.21 0.00 0.21 0.00 0.00 66.02 67.65 1x4h s SER 106 CO 0.19 -0.20 1.14 -0.83 0.41 0.00 0.00 173.24 173.96 1x4h s GLY 107 N 1.02 -1.97 1.23 3.44 0.00 -1.26 -5.17 107.32 104.61 1x4h s GLY 107 Ca -0.05 0.78 -0.20 0.00 0.00 0.00 0.00 44.72 45.24 1x4h s GLY 107 CO -0.12 4.39 1.11 2.56 0.00 0.00 0.00 173.10 181.05 1x4h s PRO 108 N 1.08 -1.46 0.20 2.90 0.04 -1.26 -5.08 135.00 131.42 1x4h s PRO 108 Ca 0.22 -0.15 0.11 0.00 0.04 0.00 0.00 61.00 61.22 1x4h s PRO 108 Cb 0.14 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 33.05 1x4h s PRO 108 CO -0.12 -3.85 -0.20 -1.12 0.04 0.00 0.00 177.00 171.75 1x4h s SER 109 N -3.96 3.66 0.50 6.66 0.01 -1.26 -5.15 113.70 114.16 1x4h s SER 109 Ca 0.72 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1x4h s SER 109 Cb -0.08 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.76 1x4h s SER 109 CO 0.56 0.10 0.04 -0.44 0.41 0.00 0.00 173.24 173.91 1x4h s SER 110 N -2.83 4.16 0.00 2.44 0.01 -1.26 -5.37 113.70 110.84 1x4h s SER 110 Ca 0.23 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.89 1x4h s SER 110 Cb -0.08 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1x4h s SER 110 CO 0.12 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.54