#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 -0.07 0.55 1.61 1.04 -1.26 -5.15 113.70 110.42 1x4h s SER 2 Ca 0.00 -0.52 -0.20 0.00 0.48 0.00 0.00 55.95 55.71 1x4h s SER 2 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1x4h s SER 2 CO 0.00 -0.83 1.18 -0.44 0.98 0.00 0.00 173.24 174.13 1x4h s SER 3 N -2.85 5.53 -0.62 7.02 0.01 -1.26 -4.09 113.70 117.44 1x4h s SER 3 Ca 0.06 2.31 -0.14 0.00 1.31 0.00 0.00 55.95 59.49 1x4h s SER 3 Cb 0.03 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1x4h s SER 3 CO -0.10 -1.36 0.64 0.61 0.41 0.00 0.00 173.24 173.45 1x4h n GLY 4 N 0.37 -0.91 0.18 3.44 0.00 -1.26 -4.86 105.19 102.15 1x4h n GLY 4 Ca 0.12 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.96 1x4h n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x4h h SER 5 N 1.03 -0.42 0.18 1.61 0.02 -2.04 -2.44 113.55 111.49 1x4h h SER 5 Ca -0.32 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1x4h h SER 5 Cb 1.22 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 1x4h h SER 5 CO 0.28 -0.15 -0.22 0.77 -1.14 0.00 0.00 176.83 176.37 1x4h h SER 6 N -0.03 -0.60 -4.28 3.07 4.64 -1.95 -3.49 113.55 110.90 1x4h h SER 6 Ca 0.18 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1x4h h SER 6 Cb 0.31 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1x4h h SER 6 CO -0.40 -0.32 0.00 0.61 -0.87 0.00 0.00 176.83 175.85 1x4h n GLY 7 N -1.34 0.04 3.54 -0.77 0.00 -0.92 -4.97 105.19 100.76 1x4h n GLY 7 Ca -0.08 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.62 1.32 -4.72 0.99 -0.00 -1.26 -4.89 117.00 107.82 1x4h n LEU 8 Ca 0.00 1.00 -0.42 0.00 -0.00 0.00 0.00 56.01 56.59 1x4h n LEU 8 Cb 0.00 -1.23 -0.03 0.00 -0.00 0.00 0.00 43.42 42.16 1x4h n LEU 8 CO 0.00 -2.10 1.01 -2.16 -0.00 0.00 0.00 177.39 174.14 1x4h s PRO 9 N -1.76 4.36 0.02 1.47 0.04 -1.26 -5.00 135.00 132.87 1x4h s PRO 9 Ca 0.63 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 1x4h s PRO 9 Cb -0.61 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 1x4h s PRO 9 CO 0.57 -0.34 0.88 -1.12 0.04 0.00 0.00 177.00 177.04 1x4h s SER 10 N 0.76 7.29 0.20 6.66 0.01 -1.26 -5.04 113.70 122.32 1x4h s SER 10 Ca 0.61 1.55 -0.22 0.00 1.31 0.00 0.00 55.95 59.20 1x4h s SER 10 Cb -0.36 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.40 1x4h s SER 10 CO 0.34 -0.14 0.63 -0.62 0.41 0.00 0.00 173.24 173.85 1x4h s ASP 11 N 0.57 -0.46 -0.18 2.44 2.15 -1.26 -5.13 116.67 114.80 1x4h s ASP 11 Ca 0.46 -0.20 -0.29 0.00 0.43 0.00 0.00 52.55 52.94 1x4h s ASP 11 Cb -0.21 0.63 -0.01 0.00 -0.30 0.00 0.00 42.92 43.03 1x4h s ASP 11 CO 0.25 -1.08 1.29 0.68 -0.17 0.00 0.00 175.17 176.15 1x4h s VAL 12 N -3.81 4.22 -0.00 1.11 -7.23 -1.26 -5.01 120.40 108.42 1x4h s VAL 12 Ca 0.04 1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 61.67 1x4h s VAL 12 Cb -0.02 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1x4h s VAL 12 CO -0.07 -0.19 0.01 -0.89 -0.31 0.00 0.00 175.10 173.65 1x4h s THR 13 N 3.69 0.00 -0.24 5.32 2.01 -1.26 -5.04 115.64 120.13 1x4h s THR 13 Ca 0.56 -0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 1x4h s THR 13 Cb -0.22 -0.02 -0.21 0.00 0.01 0.00 0.00 72.50 72.07 1x4h s THR 13 CO 0.17 -0.00 3.11 -0.62 -0.69 0.00 0.00 174.62 176.59 1x4h n GLU 14 N 3.07 1.98 -2.21 4.92 1.02 -1.26 -4.47 120.64 123.69 1x4h n GLU 14 Ca -0.12 -1.05 -0.31 0.00 -0.02 0.00 0.00 57.16 55.66 1x4h n GLU 14 Cb 0.60 -2.06 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4h n GLY 15 N 2.75 5.90 3.06 0.62 0.00 -1.26 -4.97 105.19 111.29 1x4h n GLY 15 Ca 0.42 -2.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 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 -3.72 2.57 0.09 1.61 1.02 -1.26 -4.95 119.74 115.10 1x4h s LYS 16 Ca 0.50 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1x4h s LYS 16 Cb 0.42 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1x4h s LYS 16 CO -0.23 -0.26 0.01 0.99 -0.92 0.00 0.00 175.35 174.94 1x4h s THR 17 N 1.37 0.22 -0.26 2.17 2.01 -1.26 -3.99 115.64 115.90 1x4h s THR 17 Ca 0.04 -1.87 -0.08 0.00 0.31 0.00 0.00 61.69 60.09 1x4h s THR 17 Cb -0.14 -1.78 0.12 0.00 0.01 0.00 0.00 72.50 70.72 1x4h s THR 17 CO -0.11 -0.74 0.54 0.68 -0.69 0.00 0.00 174.62 174.29 1x4h s VAL 18 N -3.94 -0.84 -0.19 3.82 -7.23 -0.50 -4.05 120.40 107.47 1x4h s VAL 18 Ca 0.15 0.06 -0.03 0.00 -1.81 0.00 0.00 61.98 60.36 1x4h s VAL 18 Cb 0.08 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 1x4h s VAL 18 CO -0.04 0.02 -0.07 0.12 -0.31 0.00 0.00 175.10 174.82 1x4h s PHE 19 N 2.76 2.92 -0.00 2.82 5.36 0.85 -0.43 117.98 132.26 1x4h s PHE 19 Ca -0.01 -0.84 -0.11 0.00 -0.96 0.00 0.00 56.93 55.01 1x4h s PHE 19 Cb -0.12 -2.02 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 1x4h s PHE 19 CO -0.16 -0.43 0.33 0.42 -1.46 0.00 0.00 175.22 173.92 1x4h s ILE 20 N 1.08 5.18 0.15 3.12 1.09 0.10 -1.10 121.20 130.82 1x4h s ILE 20 Ca 0.01 0.53 0.07 0.00 -1.10 0.00 0.00 60.65 60.15 1x4h s ILE 20 Cb -0.15 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1x4h s ILE 20 CO -0.01 0.49 -0.15 -0.13 -0.10 0.00 0.00 174.94 175.04 1x4h s ARG 21 N -1.37 1.13 -0.90 2.79 0.52 0.14 -2.33 118.95 118.92 1x4h s ARG 21 Ca 0.25 -1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 54.08 1x4h s ARG 21 Cb -0.15 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.33 1x4h s ARG 21 CO 0.13 0.19 0.77 -1.71 0.02 0.00 0.00 175.30 174.69 1x4h n ASN 22 N 0.27 -3.30 -4.84 0.23 5.15 -0.78 -1.79 115.26 110.19 1x4h n ASN 22 Ca -0.13 -0.42 -0.32 0.00 -0.60 0.00 0.00 54.58 53.11 1x4h n ASN 22 Cb 0.58 -3.77 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 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 -5.27 3.40 -0.08 1.20 1.43 -0.53 -4.61 118.68 114.23 1x4h s LEU 23 Ca 0.17 1.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.81 1x4h s LEU 23 Cb -0.08 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 1x4h s LEU 23 CO 0.52 -0.92 0.13 -0.55 0.23 0.00 0.00 176.35 175.76 1x4h s SER 24 N -3.46 6.19 0.37 2.29 0.15 -1.26 -4.69 113.70 113.28 1x4h s SER 24 Ca 0.58 0.37 0.15 0.00 0.70 0.00 0.00 55.95 57.75 1x4h s SER 24 Cb -0.12 -1.94 1.00 0.00 -1.71 0.00 0.00 66.02 63.25 1x4h s SER 24 CO 0.43 0.35 1.77 -0.26 1.20 0.00 0.00 173.24 176.73 1x4h h PHE 25 N 4.60 0.79 -0.07 3.44 0.04 -1.96 0.60 116.94 124.38 1x4h h PHE 25 Ca -0.52 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.26 1x4h h PHE 25 Cb 1.21 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1x4h h PHE 25 CO 0.71 0.09 -0.03 0.22 -0.60 0.00 0.00 178.31 178.70 1x4h h ASP 26 N 0.49 0.08 -3.59 2.17 1.82 -1.95 -3.44 116.42 112.00 1x4h h ASP 26 Ca 0.60 -0.01 -0.55 0.00 -0.39 0.00 0.00 57.03 56.68 1x4h h ASP 26 Cb 1.34 -0.02 0.19 0.00 0.68 0.00 0.00 39.33 41.52 1x4h h ASP 26 CO -0.34 0.13 -0.16 -0.24 -1.61 0.00 0.00 179.24 177.03 1x4h n SER 27 N -4.44 -0.49 -3.70 2.28 2.88 0.21 -5.03 113.62 105.33 1x4h n SER 27 Ca -0.02 0.56 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 1x4h n SER 27 Cb 0.15 -1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 62.20 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 -3.33 0.61 0.26 -1.46 2.02 -1.26 -4.97 118.70 110.56 1x4h s GLU 28 Ca 0.67 0.73 0.11 0.00 0.02 0.00 0.00 54.97 56.50 1x4h s GLU 28 Cb -0.31 0.30 0.85 0.00 0.10 0.00 0.00 34.13 35.06 1x4h s GLU 28 CO 0.56 -0.07 1.15 -1.91 0.02 0.00 0.00 175.26 175.01 1x4h n GLU 29 N 2.81 -0.05 0.26 1.61 2.13 -1.26 0.11 120.64 126.25 1x4h n GLU 29 Ca -0.14 1.03 -0.15 0.00 0.66 0.00 0.00 57.16 58.56 1x4h n GLU 29 Cb 0.56 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 30.41 1x4h n GLU 29 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1x4h h GLU 30 N 0.00 -0.61 0.42 5.31 4.11 -1.95 -1.80 114.58 120.06 1x4h h GLU 30 Ca 0.56 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 60.01 1x4h h GLU 30 Cb 1.41 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1x4h h GLU 30 CO -0.60 -0.34 -0.20 0.00 0.07 0.00 0.00 179.01 177.94 1x4h h ALA 31 N -0.32 -0.57 -0.81 1.06 0.00 0.34 -1.81 119.26 117.15 1x4h h ALA 31 Ca -0.06 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1x4h h ALA 31 Cb 0.55 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 1x4h h ALA 31 CO 0.11 -0.65 -0.26 1.25 0.00 0.00 0.00 179.25 179.70 1x4h h LEU 32 N -0.91 -0.96 0.63 0.00 6.46 -0.05 -1.41 115.31 119.06 1x4h h LEU 32 Ca -0.06 0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1x4h h LEU 32 Cb 0.56 0.57 0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1x4h h LEU 32 CO 0.09 -0.28 -0.30 1.23 -0.62 0.00 0.00 178.44 178.56 1x4h h GLY 33 N -0.03 -0.88 -0.07 3.75 0.00 -1.35 -2.58 103.07 101.91 1x4h h GLY 33 Ca 0.36 0.33 0.15 0.00 0.00 0.00 0.00 47.33 48.17 1x4h h GLY 33 CO -0.84 -0.32 0.89 0.83 0.00 0.00 0.00 176.54 177.10 1x4h h GLU 34 N -1.00 0.00 0.02 4.80 4.39 -0.44 0.42 114.58 122.77 1x4h h GLU 34 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1x4h h GLU 34 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1x4h h GLU 34 CO 0.14 0.00 -0.01 0.28 -1.16 0.00 0.00 179.01 178.26 1x4h h VAL 35 N 0.00 1.47 -0.16 3.13 2.07 -0.89 -3.33 116.25 118.55 1x4h h VAL 35 Ca 0.25 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 1x4h h VAL 35 Cb 2.02 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 34.42 1x4h h VAL 35 CO -0.00 0.45 -0.39 -0.07 0.02 0.00 0.00 177.57 177.58 1x4h h LEU 36 N -0.85 0.37 -1.97 2.57 3.38 -0.16 -2.87 115.31 115.79 1x4h h LEU 36 Ca -0.00 -0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.07 1x4h h LEU 36 Cb 0.75 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1x4h h LEU 36 CO 0.00 0.73 0.69 1.56 0.09 0.00 0.00 178.44 181.51 1x4h h GLN 37 N 0.30 0.00 -0.59 1.13 4.20 -0.90 -0.37 115.11 118.88 1x4h h GLN 37 Ca 0.03 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.86 1x4h h GLN 37 Cb 0.82 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.51 1x4h h GLN 37 CO 0.07 0.00 0.09 -0.56 -0.67 0.00 0.00 178.83 177.75 1x4h h GLN 38 N 0.00 0.20 0.05 1.46 3.07 -1.61 -2.31 115.11 115.97 1x4h h GLN 38 Ca 0.43 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 59.15 1x4h h GLN 38 Cb 1.80 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.31 1x4h h GLN 38 CO -0.00 0.13 -0.02 0.74 0.09 0.00 0.00 178.83 179.77 1x4h h PHE 39 N 0.21 -0.06 -2.71 0.06 0.04 -1.27 -3.48 116.94 109.72 1x4h h PHE 39 Ca 0.31 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.18 1x4h h PHE 39 Cb 0.48 0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 1x4h h PHE 39 CO -0.28 0.27 0.37 0.20 -0.60 0.00 0.00 178.31 178.28 1x4h s GLY 40 N -2.85 -0.02 0.24 -1.45 0.00 -0.87 -4.94 107.32 97.43 1x4h s GLY 40 Ca -0.15 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 1x4h s GLY 40 CO 0.65 0.24 1.58 0.99 0.00 0.00 0.00 173.10 176.56 1x4h s ASP 41 N -3.02 6.48 -0.25 1.64 1.11 -1.26 -4.02 116.67 117.34 1x4h s ASP 41 Ca 0.14 2.81 -0.14 0.00 0.18 0.00 0.00 52.55 55.54 1x4h s ASP 41 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1x4h s ASP 41 CO 0.06 -0.86 0.31 -0.76 1.18 0.00 0.00 175.17 175.09 1x4h s LEU 42 N 0.21 4.08 0.08 1.23 1.43 -1.26 -1.62 118.68 122.82 1x4h s LEU 42 Ca 0.66 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.82 1x4h s LEU 42 Cb -0.46 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.33 1x4h s LEU 42 CO 0.40 -0.09 1.53 0.50 0.23 0.00 0.00 176.35 178.93 1x4h h LYS 43 N 7.89 0.36 -1.94 1.70 1.63 0.16 -3.46 116.57 122.91 1x4h h LYS 43 Ca -0.34 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.37 1x4h h LYS 43 Cb 1.17 -0.04 -0.22 0.00 -0.60 0.00 0.00 32.23 32.54 1x4h h LYS 43 CO 0.65 0.53 0.09 1.52 -3.45 0.00 0.00 179.45 178.79 1x4h s TYR 44 N -5.10 -0.95 -0.26 1.91 -0.85 -1.22 -4.99 117.35 105.89 1x4h s TYR 44 Ca -0.14 1.97 0.03 0.00 -0.52 0.00 0.00 57.07 58.41 1x4h s TYR 44 Cb 0.07 0.53 0.06 0.00 0.38 0.00 0.00 41.96 43.00 1x4h s TYR 44 CO 0.73 -0.47 -0.10 0.54 -1.52 0.00 0.00 175.55 174.74 1x4h s VAL 45 N 1.33 2.12 -0.05 -3.49 0.11 -1.26 -1.72 120.40 117.44 1x4h s VAL 45 Ca -0.08 -1.64 0.06 0.00 -2.93 0.00 0.00 61.98 57.39 1x4h s VAL 45 Cb -0.05 -2.26 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1x4h s VAL 45 CO -0.15 -0.07 -0.23 -0.60 -3.33 0.00 0.00 175.10 170.73 1x4h s ARG 46 N 1.12 2.30 -0.24 1.54 6.06 -0.52 -4.96 118.95 124.24 1x4h s ARG 46 Ca -0.08 -0.81 0.00 0.00 -2.50 0.00 0.00 55.73 52.34 1x4h s ARG 46 Cb -0.20 -1.96 0.03 0.00 0.06 0.00 0.00 34.95 32.88 1x4h s ARG 46 CO -0.05 0.34 -0.10 0.54 -2.50 0.00 0.00 175.30 173.53 1x4h s VAL 47 N -0.11 2.53 0.23 7.11 0.11 -1.26 -0.90 120.40 128.11 1x4h s VAL 47 Ca -0.03 -1.16 -0.31 0.00 -2.93 0.00 0.00 61.98 57.54 1x4h s VAL 47 Cb -0.13 -2.29 -0.12 0.00 -1.53 0.00 0.00 36.38 32.31 1x4h s VAL 47 CO 0.03 0.21 1.68 0.54 -3.33 0.00 0.00 175.10 174.23 1x4h s VAL 48 N 1.26 2.07 0.26 2.04 0.11 -1.24 -5.00 120.40 119.90 1x4h s VAL 48 Ca -0.01 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1x4h s VAL 48 Cb -0.17 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.60 1x4h s VAL 48 CO -0.06 0.01 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.90 1x4h s LEU 49 N 0.75 2.42 0.28 2.54 1.43 -1.26 -3.24 118.68 121.59 1x4h s LEU 49 Ca 0.72 -1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 1x4h s LEU 49 Cb -0.49 -0.54 -0.12 0.00 0.03 0.00 0.00 46.19 45.07 1x4h s LEU 49 CO 0.36 -0.37 1.58 1.57 0.23 0.00 0.00 176.35 179.72 1x4h n HIS 50 N -0.51 2.74 0.98 0.29 -0.00 -0.90 -4.85 115.22 112.97 1x4h n HIS 50 Ca -0.06 0.26 0.06 0.00 0.46 0.00 0.00 57.72 58.44 1x4h n HIS 50 Cb 0.63 -2.58 0.33 0.00 -0.12 0.00 0.00 29.99 28.25 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 2.31 0.49 -0.00 1.57 -0.04 -1.26 -3.16 135.00 134.91 1x4h n PRO 51 Ca 0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1x4h n PRO 51 Cb 0.36 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.86 1.96 -4.41 3.54 2.03 -1.26 -5.10 116.55 112.45 1x4h n ASP 52 Ca 0.08 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.14 1x4h n ASP 52 Cb 0.04 -0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 1x4h n ASP 52 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1x4h s THR 53 N -2.02 1.06 -0.42 5.18 -1.32 -1.19 -5.04 115.64 111.89 1x4h s THR 53 Ca -0.01 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.45 1x4h s THR 53 Cb 0.00 -2.52 0.19 0.00 -1.51 0.00 0.00 72.50 68.67 1x4h s THR 53 CO 0.02 0.00 2.29 1.21 -2.21 0.00 0.00 174.62 175.93 1x4h n GLU 54 N -0.93 2.15 -3.44 7.08 4.07 -1.26 -3.32 120.64 124.99 1x4h n GLU 54 Ca -0.08 -2.10 -0.37 0.00 -0.06 0.00 0.00 57.16 54.55 1x4h n GLU 54 Cb 0.66 -1.90 -0.07 0.00 -0.06 0.00 0.00 31.44 30.07 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1x4h s HIS 55 N -2.07 3.46 -0.33 4.31 3.76 -1.26 -4.92 115.29 118.23 1x4h s HIS 55 Ca 0.45 0.69 -0.28 0.00 -0.15 0.00 0.00 55.06 55.77 1x4h s HIS 55 Cb 0.33 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 1x4h s HIS 55 CO -0.10 0.17 1.93 0.45 -0.85 0.00 0.00 174.74 176.34 1x4h s SER 56 N 0.63 5.68 0.34 1.40 0.15 -1.26 -2.13 113.70 118.51 1x4h s SER 56 Ca 0.20 1.36 0.14 0.00 0.70 0.00 0.00 55.95 58.34 1x4h s SER 56 Cb -0.14 -2.52 1.03 0.00 -1.71 0.00 0.00 66.02 62.68 1x4h s SER 56 CO 0.07 -1.87 1.69 0.11 1.20 0.00 0.00 173.24 174.44 1x4h h LYS 57 N 13.82 0.40 0.00 5.44 1.79 -1.89 -3.45 116.57 132.68 1x4h h LYS 57 Ca -0.34 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1x4h h LYS 57 Cb 1.19 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1x4h h LYS 57 CO 1.03 0.27 0.00 0.41 -1.08 0.00 0.00 179.45 180.08 1x4h n GLY 58 N -1.32 0.85 3.70 3.86 0.00 -1.26 -5.00 105.19 106.02 1x4h n GLY 58 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.88 -1.58 -0.06 0.00 0.00 -0.98 -3.59 121.76 111.67 1x4h s ALA 60 Ca 0.09 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.79 1x4h s ALA 60 Cb -0.04 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1x4h s ALA 60 CO 0.01 -0.63 -0.25 -0.06 0.00 0.00 0.00 175.76 174.83 1x4h s PHE 61 N -2.95 2.45 0.22 0.00 0.40 -0.08 -0.72 117.98 117.29 1x4h s PHE 61 Ca -0.03 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 1x4h s PHE 61 Cb -0.01 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1x4h s PHE 61 CO -0.06 -0.24 0.07 0.00 0.70 0.00 0.00 175.22 175.69 1x4h s ALA 62 N -0.10 1.53 -0.01 5.36 0.00 0.43 -1.44 121.76 127.53 1x4h s ALA 62 Ca -0.06 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1x4h s ALA 62 Cb -0.14 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1x4h s ALA 62 CO 0.04 -0.43 -0.00 -1.14 0.00 0.00 0.00 175.76 174.23 1x4h s GLN 63 N -4.01 0.13 0.49 0.00 0.74 -0.70 -1.41 119.66 114.90 1x4h s GLN 63 Ca 0.33 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.80 1x4h s GLN 63 Cb 0.07 -0.21 0.02 0.00 1.10 0.00 0.00 33.01 33.99 1x4h s GLN 63 CO 0.10 -0.04 0.68 -0.06 -0.55 0.00 0.00 175.29 175.43 1x4h s PHE 64 N 0.37 2.84 -0.61 1.67 0.08 -1.26 0.79 117.98 121.87 1x4h s PHE 64 Ca -0.03 -0.19 0.23 0.00 0.12 0.00 0.00 56.93 57.06 1x4h s PHE 64 Cb -0.05 -2.58 0.06 0.00 -0.57 0.00 0.00 43.02 39.88 1x4h s PHE 64 CO -0.01 -0.66 1.04 -1.33 -0.10 0.00 0.00 175.22 174.16 1x4h n MET 65 N -2.12 0.29 -3.85 0.44 2.81 -0.64 -4.47 117.12 109.58 1x4h n MET 65 Ca 0.08 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.85 1x4h n MET 65 Cb 0.59 -1.60 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 1x4h n MET 65 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1x4h s THR 66 N -3.20 -0.01 0.21 2.03 -4.23 -1.26 -5.05 115.64 104.14 1x4h s THR 66 Ca 0.04 0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.47 1x4h s THR 66 Cb 0.14 -0.05 0.15 0.00 1.34 0.00 0.00 72.50 74.08 1x4h s THR 66 CO 0.80 0.01 1.73 1.56 -0.54 0.00 0.00 174.62 178.18 1x4h h GLN 67 N 6.24 0.34 -0.92 3.99 4.20 -1.90 -0.05 115.11 127.01 1x4h h GLN 67 Ca -0.27 -0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.62 1x4h h GLN 67 Cb 1.20 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 1x4h h GLN 67 CO 0.49 0.23 0.60 1.49 -0.67 0.00 0.00 178.83 180.97 1x4h h GLU 68 N 0.35 0.48 0.48 1.46 4.57 -1.99 -2.55 114.58 117.38 1x4h h GLU 68 Ca 0.31 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1x4h h GLU 68 Cb 0.41 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1x4h h GLU 68 CO -0.34 0.32 -0.24 0.00 -1.18 0.00 0.00 179.01 177.57 1x4h h ALA 69 N 1.61 -1.16 -0.94 2.92 0.00 -1.36 0.26 119.26 120.59 1x4h h ALA 69 Ca 0.49 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.53 1x4h h ALA 69 Cb 1.08 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 1x4h h ALA 69 CO -0.21 -1.12 0.22 0.00 0.00 0.00 0.00 179.25 178.14 1x4h h ALA 70 N -1.65 1.41 -0.52 0.00 0.00 -1.40 0.64 119.26 117.73 1x4h h ALA 70 Ca -0.07 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1x4h h ALA 70 Cb 0.51 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1x4h h ALA 70 CO 0.10 -0.59 0.01 1.96 0.00 0.00 0.00 179.25 180.73 1x4h h GLN 71 N 0.10 0.92 0.00 0.00 1.08 -1.32 -2.48 115.11 113.41 1x4h h GLN 71 Ca 0.62 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 1x4h h GLN 71 Cb 1.36 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1x4h h GLN 71 CO -0.77 0.94 -0.11 0.87 -0.95 0.00 0.00 178.83 178.80 1x4h h LYS 72 N 0.79 0.00 0.05 1.46 1.57 0.24 -2.24 116.57 118.44 1x4h h LYS 72 Ca 0.15 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 1x4h h LYS 72 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1x4h h LYS 72 CO 0.03 0.11 -1.05 0.00 -0.57 0.00 0.00 179.45 177.97 1x4h h LEU 74 N 0.14 -0.44 -1.56 0.00 3.38 -1.01 -0.10 115.31 115.71 1x4h h LEU 74 Ca -0.09 0.02 0.31 0.00 0.09 0.00 0.00 57.88 58.21 1x4h h LEU 74 Cb 1.72 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 1x4h h LEU 74 CO 0.17 -0.21 1.03 0.00 0.09 0.00 0.00 178.44 179.53 1x4h h ALA 75 N -1.54 2.96 0.01 1.53 0.00 -1.64 1.56 119.26 122.15 1x4h h ALA 75 Ca -0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1x4h h ALA 75 Cb 0.40 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1x4h h ALA 75 CO 0.09 -1.59 -1.58 0.00 0.00 0.00 0.00 179.25 176.17 1x4h h ALA 76 N 0.96 0.67 -0.01 0.00 0.00 -1.55 -3.36 119.26 115.96 1x4h h ALA 76 Ca 0.51 -1.35 -0.25 0.00 0.00 0.00 0.00 54.91 53.82 1x4h h ALA 76 Cb 2.57 0.37 0.01 0.00 0.00 0.00 0.00 17.79 20.75 1x4h h ALA 76 CO -0.01 1.50 -1.00 0.00 0.00 0.00 0.00 179.25 179.75 1x4h h ALA 77 N 0.95 0.21 -2.19 0.00 0.00 0.40 -3.07 119.26 115.57 1x4h h ALA 77 Ca -0.24 -0.70 -0.55 0.00 0.00 0.00 0.00 54.91 53.42 1x4h h ALA 77 Cb 1.97 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1x4h h ALA 77 CO 0.09 0.73 1.17 0.45 0.00 0.00 0.00 179.25 181.69 1x4h s SER 78 N -7.22 6.41 0.39 0.00 0.15 0.50 -3.49 113.70 110.45 1x4h s SER 78 Ca -0.09 2.11 0.28 0.00 0.70 0.00 0.00 55.95 58.96 1x4h s SER 78 Cb 0.08 -2.53 1.26 0.00 -1.71 0.00 0.00 66.02 63.11 1x4h s SER 78 CO 0.90 -1.15 1.84 0.17 1.20 0.00 0.00 173.24 176.20 1x4h h LEU 79 N 11.23 0.00 0.04 3.45 8.10 -1.88 -2.66 115.31 133.60 1x4h h LEU 79 Ca -0.40 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.26 1x4h h LEU 79 Cb 1.19 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.37 1x4h h LEU 79 CO 0.97 0.00 -1.90 -1.84 -4.11 0.00 0.00 178.44 171.55 1x4h n GLU 80 N -2.56 0.68 -2.24 0.17 -0.00 -1.26 -4.36 120.64 111.07 1x4h n GLU 80 Ca 0.01 0.25 -0.39 0.00 -0.00 0.00 0.00 57.16 57.03 1x4h n GLU 80 Cb 0.21 -1.73 -0.02 0.00 -0.00 0.00 0.00 31.44 29.90 1x4h n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x4h s ALA 81 N -2.57 3.25 0.28 -1.84 0.00 -1.00 -4.93 121.76 114.95 1x4h s ALA 81 Ca -0.12 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.63 1x4h s ALA 81 Cb 0.07 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.63 1x4h s ALA 81 CO 0.80 -0.57 0.67 0.39 0.00 0.00 0.00 175.76 177.04 1x4h n GLU 82 N 0.31 0.57 0.00 0.00 -0.58 -1.26 -3.30 120.64 116.37 1x4h n GLU 82 Ca 0.03 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1x4h n GLU 82 Cb 0.45 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x4h n GLY 83 N 1.71 2.52 0.00 0.62 0.00 -1.26 -4.65 105.19 104.13 1x4h n GLY 83 Ca 0.13 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 3.90 3.59 -0.02 0.00 -1.21 -5.11 105.19 106.35 1x4h n GLY 84 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1x4h n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4h n GLY 85 N 0.00 -0.62 3.90 -0.02 0.00 -1.23 -4.56 105.19 102.65 1x4h n GLY 85 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1x4h n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4h s LEU 86 N -3.12 4.21 -0.01 0.99 1.02 -1.16 -4.92 118.68 115.69 1x4h s LEU 86 Ca 0.71 0.66 0.00 0.00 0.02 0.00 0.00 54.13 55.52 1x4h s LEU 86 Cb -0.32 -3.41 0.01 0.00 0.02 0.00 0.00 46.19 42.48 1x4h s LEU 86 CO 0.53 -0.02 -0.01 -0.54 0.02 0.00 0.00 176.35 176.33 1x4h s LYS 87 N -2.89 0.13 -0.19 1.70 1.02 -1.26 -1.45 119.74 116.79 1x4h s LYS 87 Ca 0.43 0.00 0.01 0.00 0.02 0.00 0.00 55.97 56.43 1x4h s LYS 87 Cb -0.12 -0.20 0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1x4h s LYS 87 CO 0.25 -0.03 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.36 1x4h s LEU 88 N 0.31 2.25 -1.54 3.17 2.96 -0.11 -4.70 118.68 121.01 1x4h s LEU 88 Ca -0.03 -0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 1x4h s LEU 88 Cb -0.05 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1x4h s LEU 88 CO -0.01 -0.10 0.25 0.47 -1.32 0.00 0.00 176.35 175.64 1x4h n ASP 89 N 4.66 -5.63 -1.01 3.68 8.00 -1.26 -2.45 116.55 122.54 1x4h n ASP 89 Ca -0.16 -0.13 -0.04 0.00 0.71 0.00 0.00 54.79 55.17 1x4h n ASP 89 Cb 0.47 -4.57 0.01 0.00 -0.02 0.00 0.00 41.12 37.02 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 -1.22 0.71 3.06 0.44 0.00 -1.26 -5.05 105.19 101.86 1x4h n GLY 90 Ca -0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -5.21 0.19 0.49 1.61 0.52 -1.03 -5.13 118.95 110.40 1x4h s ARG 91 Ca 0.10 0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 55.83 1x4h s ARG 91 Cb -0.04 -0.00 -0.08 0.00 0.52 0.00 0.00 34.95 35.35 1x4h s ARG 91 CO 0.12 -0.25 1.21 0.94 0.02 0.00 0.00 175.30 177.33 1x4h n GLN 92 N 5.12 1.61 -5.09 3.54 0.00 -1.26 -0.94 117.38 120.35 1x4h n GLN 92 Ca -0.10 0.58 -0.32 0.00 -0.00 0.00 0.00 57.00 57.16 1x4h n GLN 92 Cb 0.50 -2.36 -0.15 0.00 0.00 0.00 0.00 30.24 28.24 1x4h n GLN 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1x4h s LEU 93 N -2.10 2.36 -0.32 1.69 1.43 -0.53 -4.65 118.68 116.55 1x4h s LEU 93 Ca 0.67 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1x4h s LEU 93 Cb -0.47 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.36 1x4h s LEU 93 CO 0.53 0.28 0.04 -0.54 0.23 0.00 0.00 176.35 176.89 1x4h s LYS 94 N -0.34 2.27 -0.18 1.70 1.02 -0.74 -4.58 119.74 118.89 1x4h s LYS 94 Ca 0.02 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 54.52 1x4h s LYS 94 Cb -0.12 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1x4h s LYS 94 CO 0.02 -0.73 0.05 0.08 -0.92 0.00 0.00 175.35 173.86 1x4h s VAL 95 N 1.20 4.66 0.00 3.17 1.01 -1.25 0.24 120.40 129.42 1x4h s VAL 95 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1x4h s VAL 95 Cb -0.20 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1x4h s VAL 95 CO -0.02 0.45 0.02 -0.62 0.00 0.00 0.00 175.10 174.94 1x4h s ASP 96 N 0.46 0.08 -0.52 3.32 2.15 -0.26 -4.75 116.67 117.15 1x4h s ASP 96 Ca 0.02 -0.18 -0.26 0.00 0.43 0.00 0.00 52.55 52.56 1x4h s ASP 96 Cb -0.13 0.10 -0.06 0.00 -0.30 0.00 0.00 42.92 42.53 1x4h s ASP 96 CO 0.01 -0.17 2.30 -0.22 -0.17 0.00 0.00 175.17 176.92 1x4h s LEU 97 N -0.73 3.38 0.00 -1.34 1.98 -1.26 -0.11 118.68 120.60 1x4h s LEU 97 Ca -0.08 0.93 -0.05 0.00 -2.89 0.00 0.00 54.13 52.04 1x4h s LEU 97 Cb -0.05 -2.51 0.10 0.00 0.66 0.00 0.00 46.19 44.39 1x4h s LEU 97 CO -0.00 -2.80 0.61 0.00 -1.89 0.00 0.00 176.35 172.27 1x4h n ALA 98 N 15.35 -0.41 -3.68 5.97 0.00 -1.26 -4.92 120.51 131.57 1x4h n ALA 98 Ca 0.34 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 1x4h n ALA 98 Cb 0.54 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.06 -0.23 -0.79 0.00 0.11 -1.26 -4.53 120.40 111.63 1x4h s VAL 99 Ca 0.37 0.11 -0.13 0.00 -2.93 0.00 0.00 61.98 59.40 1x4h s VAL 99 Cb -0.01 -0.67 0.21 0.00 -1.53 0.00 0.00 36.38 34.37 1x4h s VAL 99 CO 0.25 0.04 0.72 -0.89 -3.33 0.00 0.00 175.10 171.89 1x4h s THR 100 N 1.83 5.35 -0.09 5.04 2.01 -1.26 -5.00 115.64 123.51 1x4h s THR 100 Ca -0.07 -2.52 -0.04 0.00 0.31 0.00 0.00 61.69 59.37 1x4h s THR 100 Cb -0.09 -4.32 0.05 0.00 0.01 0.00 0.00 72.50 68.14 1x4h s THR 100 CO -0.14 -1.00 0.19 -0.60 -0.69 0.00 0.00 174.62 172.38 1x4h s ARG 101 N 0.16 0.11 0.21 4.92 3.52 -1.26 -5.14 118.95 121.48 1x4h s ARG 101 Ca 0.17 0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 1x4h s ARG 101 Cb -0.12 -0.17 -0.09 0.00 -1.56 0.00 0.00 34.95 33.01 1x4h s ARG 101 CO -0.08 -0.22 1.33 0.34 -0.81 0.00 0.00 175.30 175.86 1x4h s ASP 102 N 1.65 6.86 -0.58 -2.12 -1.08 -1.26 -4.94 116.67 115.19 1x4h s ASP 102 Ca -0.05 2.45 0.02 0.00 -0.52 0.00 0.00 52.55 54.45 1x4h s ASP 102 Cb -0.11 -2.61 0.41 0.00 -1.46 0.00 0.00 42.92 39.14 1x4h s ASP 102 CO -0.07 -0.55 1.57 -0.62 0.52 0.00 0.00 175.17 176.02 1x4h n GLU 103 N 2.55 3.13 -1.87 4.34 -0.58 -1.26 -4.67 120.64 122.27 1x4h n GLU 103 Ca 0.06 -3.94 -0.23 0.00 -0.42 0.00 0.00 57.16 52.64 1x4h n GLU 103 Cb 0.42 -2.27 0.04 0.00 -0.57 0.00 0.00 31.44 29.06 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4h n ALA 104 N -0.61 5.03 -0.01 0.62 0.00 -1.26 -4.84 120.51 119.44 1x4h n ALA 104 Ca 0.49 -3.73 -0.11 0.00 0.00 0.00 0.00 53.44 50.08 1x4h n ALA 104 Cb 0.58 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1x4h n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4h h ALA 105 N 2.08 -0.44 -0.39 0.00 0.00 -2.03 -3.31 119.26 115.18 1x4h h ALA 105 Ca 0.37 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 1x4h h ALA 105 Cb 1.46 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 1x4h h ALA 105 CO 0.77 -0.84 0.55 -1.54 0.00 0.00 0.00 179.25 178.19 1x4h s SER 106 N -4.91 4.40 0.00 0.00 1.04 -1.26 -4.84 113.70 108.13 1x4h s SER 106 Ca -0.15 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1x4h s SER 106 Cb 0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1x4h s SER 106 CO 0.65 -3.64 0.31 0.61 0.98 0.00 0.00 173.24 172.15 1x4h n GLY 107 N 6.27 -2.62 3.63 7.32 0.00 -1.25 -4.48 105.19 114.06 1x4h n GLY 107 Ca 0.43 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.63 3.77 -0.26 1.61 0.04 -1.26 -4.99 135.00 133.28 1x4h s PRO 108 Ca 0.00 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1x4h s PRO 108 Cb 0.00 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 1x4h s PRO 108 CO 0.00 -1.32 0.17 -1.54 0.04 0.00 0.00 177.00 174.34 1x4h s SER 109 N 4.29 5.99 1.06 6.66 1.04 -1.26 -5.09 113.70 126.39 1x4h s SER 109 Ca 0.71 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1x4h s SER 109 Cb -0.24 -2.10 0.22 0.00 0.10 0.00 0.00 66.02 64.00 1x4h s SER 109 CO 0.29 0.01 1.08 -0.44 0.98 0.00 0.00 173.24 175.16 1x4h s SER 110 N 1.41 2.05 0.00 7.02 0.01 -1.26 -5.28 113.70 117.64 1x4h s SER 110 Ca 0.07 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1x4h s SER 110 Cb -0.15 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.29 1x4h s SER 110 CO 0.07 -3.49 0.00 0.61 0.41 0.00 0.00 173.24 170.85