#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 3.67 -0.12 1.61 0.15 -1.26 -5.06 113.70 112.69 1x4h s SER 2 Ca 0.00 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.63 1x4h s SER 2 Cb 0.00 -0.34 -0.07 0.00 -1.71 0.00 0.00 66.02 63.90 1x4h s SER 2 CO 0.00 0.03 -0.12 -1.54 1.20 0.00 0.00 173.24 172.81 1x4h n SER 3 N -0.65 2.44 0.00 5.45 3.41 -1.26 -5.07 113.62 117.94 1x4h n SER 3 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1x4h n SER 3 Cb 0.60 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1x4h n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4h n GLY 4 N 2.75 0.44 3.72 5.00 0.00 -1.26 -5.11 105.19 110.72 1x4h n GLY 4 Ca -0.21 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1x4h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4h s SER 5 N -0.17 7.23 -0.84 1.61 1.04 -1.26 -5.00 113.70 116.32 1x4h s SER 5 Ca 0.00 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.76 1x4h s SER 5 Cb 0.00 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.79 1x4h s SER 5 CO 0.00 -0.17 0.89 -0.44 0.98 0.00 0.00 173.24 174.50 1x4h s SER 6 N 0.78 6.65 -0.21 7.02 0.01 -1.26 -5.02 113.70 121.67 1x4h s SER 6 Ca 0.46 -2.31 -0.29 0.00 1.31 0.00 0.00 55.95 55.11 1x4h s SER 6 Cb -0.20 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1x4h s SER 6 CO 0.24 -0.81 1.58 -0.83 0.41 0.00 0.00 173.24 173.82 1x4h s GLY 7 N 2.88 1.28 0.20 3.44 0.00 -1.26 -4.99 107.32 108.88 1x4h s GLY 7 Ca 0.23 0.48 -0.27 0.00 0.00 0.00 0.00 44.72 45.16 1x4h s GLY 7 CO -0.07 2.95 0.84 0.48 0.00 0.00 0.00 173.10 177.30 1x4h s LEU 8 N 4.94 4.60 0.31 0.66 0.05 -1.26 -4.97 118.68 123.00 1x4h s LEU 8 Ca 0.69 1.76 0.09 0.00 0.05 0.00 0.00 54.13 56.73 1x4h s LEU 8 Cb -0.25 -3.46 0.48 0.00 -2.05 0.00 0.00 46.19 40.92 1x4h s LEU 8 CO 0.28 0.17 1.70 1.55 -0.55 0.00 0.00 176.35 179.50 1x4h h PRO 9 N 4.17 0.10 -7.26 1.48 0.13 -2.07 -3.45 132.00 125.10 1x4h h PRO 9 Ca -0.46 -0.05 -0.51 0.00 -0.87 0.00 0.00 66.00 64.10 1x4h h PRO 9 Cb 1.20 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.53 1x4h h PRO 9 CO 0.67 0.56 0.21 0.45 -0.23 0.00 0.00 178.00 179.66 1x4h s SER 10 N -6.89 2.83 0.40 1.44 0.15 -1.26 -5.05 113.70 105.33 1x4h s SER 10 Ca -0.03 2.11 0.07 0.00 0.70 0.00 0.00 55.95 58.81 1x4h s SER 10 Cb 0.13 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 1x4h s SER 10 CO 0.76 -3.15 0.13 -0.62 1.20 0.00 0.00 173.24 171.56 1x4h s ASP 11 N -2.70 4.30 -0.01 5.45 2.15 -1.26 -5.15 116.67 119.45 1x4h s ASP 11 Ca 0.67 -1.11 0.02 0.00 0.43 0.00 0.00 52.55 52.55 1x4h s ASP 11 Cb -0.23 -0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 41.91 1x4h s ASP 11 CO 0.58 -0.48 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.36 1x4h s VAL 12 N -2.60 0.41 -0.01 1.11 1.01 -1.26 -5.15 120.40 113.90 1x4h s VAL 12 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1x4h s VAL 12 Cb 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1x4h s VAL 12 CO 0.21 0.12 -0.01 -0.89 0.00 0.00 0.00 175.10 174.53 1x4h s THR 13 N -0.08 0.12 -1.70 3.92 2.01 -1.26 -4.85 115.64 113.81 1x4h s THR 13 Ca 0.01 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1x4h s THR 13 Cb -0.03 -0.14 0.13 0.00 0.01 0.00 0.00 72.50 72.47 1x4h s THR 13 CO -0.00 0.06 0.52 -0.62 -0.69 0.00 0.00 174.62 173.89 1x4h n GLU 14 N 3.37 -1.93 -2.48 4.92 4.71 -1.26 -4.85 120.64 123.12 1x4h n GLU 14 Ca -0.17 0.24 -0.33 0.00 -0.01 0.00 0.00 57.16 56.89 1x4h n GLU 14 Cb 0.57 -4.59 0.01 0.00 -1.01 0.00 0.00 31.44 26.41 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x4h n GLY 15 N -1.60 5.82 2.89 0.62 0.00 -1.26 -4.96 105.19 106.70 1x4h n GLY 15 Ca -0.04 -2.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.84 1.46 0.07 1.61 1.02 -1.26 -4.89 119.74 113.90 1x4h s LYS 16 Ca 0.47 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 1x4h s LYS 16 Cb 0.33 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 1x4h s LYS 16 CO -0.22 -0.31 -0.01 0.99 -0.92 0.00 0.00 175.35 174.87 1x4h s THR 17 N 1.70 0.21 -0.24 2.17 2.01 -1.26 -4.14 115.64 116.10 1x4h s THR 17 Ca 0.04 -1.83 -0.07 0.00 0.31 0.00 0.00 61.69 60.13 1x4h s THR 17 Cb -0.13 -1.63 0.11 0.00 0.01 0.00 0.00 72.50 70.85 1x4h s THR 17 CO -0.08 -0.89 0.49 0.68 -0.69 0.00 0.00 174.62 174.13 1x4h s VAL 18 N -3.94 -0.76 -0.19 3.82 -7.23 -0.66 -3.91 120.40 107.53 1x4h s VAL 18 Ca 0.11 0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1x4h s VAL 18 Cb 0.08 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1x4h s VAL 18 CO -0.07 0.03 -0.04 0.12 -0.31 0.00 0.00 175.10 174.83 1x4h s PHE 19 N 2.70 2.97 -0.19 2.82 5.36 0.10 -0.62 117.98 131.12 1x4h s PHE 19 Ca -0.00 -0.64 -0.11 0.00 -0.96 0.00 0.00 56.93 55.22 1x4h s PHE 19 Cb -0.12 -2.04 -0.05 0.00 -0.34 0.00 0.00 43.02 40.46 1x4h s PHE 19 CO -0.15 -0.33 0.16 0.42 -1.46 0.00 0.00 175.22 173.86 1x4h s ILE 20 N 1.01 5.39 0.09 3.12 1.09 -0.08 -1.09 121.20 130.73 1x4h s ILE 20 Ca 0.01 0.26 0.08 0.00 -1.10 0.00 0.00 60.65 59.90 1x4h s ILE 20 Cb -0.15 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 1x4h s ILE 20 CO 0.01 0.43 -0.19 -0.13 -0.10 0.00 0.00 174.94 174.96 1x4h s ARG 21 N 0.40 1.86 -0.43 2.79 0.52 0.63 -2.09 118.95 122.62 1x4h s ARG 21 Ca 0.10 -1.12 -0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1x4h s ARG 21 Cb -0.11 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1x4h s ARG 21 CO -0.01 0.50 0.36 -1.71 0.02 0.00 0.00 175.30 174.46 1x4h n ASN 22 N 1.05 -2.06 -4.90 0.23 5.15 -0.77 -1.38 115.26 112.58 1x4h n ASN 22 Ca -0.16 -0.22 -0.28 0.00 -0.60 0.00 0.00 54.58 53.32 1x4h n ASN 22 Cb 0.52 -2.16 0.01 0.00 -0.53 0.00 0.00 39.78 37.62 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 -3.56 3.46 -0.15 1.20 1.43 0.62 -4.52 118.68 117.17 1x4h s LEU 23 Ca 0.01 1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 54.04 1x4h s LEU 23 Cb -0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1x4h s LEU 23 CO 0.26 -0.74 0.13 -0.94 0.23 0.00 0.00 176.35 175.30 1x4h s SER 24 N -4.16 6.30 0.27 2.29 1.04 -1.26 -4.73 113.70 113.45 1x4h s SER 24 Ca 0.50 0.37 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 1x4h s SER 24 Cb -0.10 -2.07 0.58 0.00 0.10 0.00 0.00 66.02 64.52 1x4h s SER 24 CO 0.47 0.32 1.65 -0.26 0.98 0.00 0.00 173.24 176.41 1x4h h PHE 25 N 5.65 0.24 -0.83 5.02 0.04 -1.97 0.49 116.94 125.57 1x4h h PHE 25 Ca -0.49 0.05 0.12 0.00 2.80 0.00 0.00 57.97 60.45 1x4h h PHE 25 Cb 1.20 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.31 1x4h h PHE 25 CO 0.69 -0.18 0.54 -0.44 -0.60 0.00 0.00 178.31 178.32 1x4h h ASP 26 N 0.20 0.62 -2.35 2.17 5.19 -1.98 -3.44 116.42 116.83 1x4h h ASP 26 Ca 0.48 0.03 -0.59 0.00 -0.62 0.00 0.00 57.03 56.33 1x4h h ASP 26 Cb 0.91 -0.10 0.19 0.00 0.18 0.00 0.00 39.33 40.51 1x4h h ASP 26 CO -0.62 0.34 -0.99 -1.54 -3.12 0.00 0.00 179.24 173.31 1x4h n SER 27 N -4.53 -3.09 -3.88 6.45 3.41 0.17 -5.00 113.62 107.16 1x4h n SER 27 Ca 0.15 0.61 -0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1x4h n SER 27 Cb 0.42 -0.95 -0.14 0.00 -0.26 0.00 0.00 64.21 63.27 1x4h n SER 27 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4h s GLU 28 N -1.57 0.11 0.42 4.33 2.02 -1.26 -4.99 118.70 117.75 1x4h s GLU 28 Ca 0.58 -0.02 0.31 0.00 0.02 0.00 0.00 54.97 55.87 1x4h s GLU 28 Cb -0.43 -0.14 1.41 0.00 0.10 0.00 0.00 34.13 35.07 1x4h s GLU 28 CO 0.65 -0.00 1.47 -1.91 0.02 0.00 0.00 175.26 175.48 1x4h n GLU 29 N 3.23 -0.03 0.26 1.61 2.13 -1.26 -0.13 120.64 126.45 1x4h n GLU 29 Ca -0.15 1.17 -0.11 0.00 0.66 0.00 0.00 57.16 58.73 1x4h n GLU 29 Cb 0.58 -2.32 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 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 -0.70 0.05 5.31 4.81 -1.95 -2.78 114.58 119.32 1x4h h GLU 30 Ca 0.83 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 60.12 1x4h h GLU 30 Cb 2.71 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 32.23 1x4h h GLU 30 CO -0.42 -0.46 -0.15 0.00 -0.73 0.00 0.00 179.01 177.25 1x4h h ALA 31 N -1.23 -0.21 -0.65 2.92 0.00 -0.96 -1.39 119.26 117.74 1x4h h ALA 31 Ca -0.07 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1x4h h ALA 31 Cb 0.55 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 1x4h h ALA 31 CO 0.12 -0.65 -0.30 1.25 0.00 0.00 0.00 179.25 179.67 1x4h h LEU 32 N -0.27 -1.06 0.86 0.00 6.46 -0.64 -2.11 115.31 118.54 1x4h h LEU 32 Ca 0.03 0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1x4h h LEU 32 Cb 0.30 0.56 0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1x4h h LEU 32 CO -0.11 -0.29 -0.41 1.23 -0.62 0.00 0.00 178.44 178.24 1x4h h GLY 33 N -0.11 -1.20 -0.90 3.75 0.00 -1.22 -2.46 103.07 100.92 1x4h h GLY 33 Ca 0.27 0.45 0.28 0.00 0.00 0.00 0.00 47.33 48.32 1x4h h GLY 33 CO -0.72 -0.44 1.18 0.83 0.00 0.00 0.00 176.54 177.40 1x4h h GLU 34 N -1.22 0.00 0.03 4.80 4.39 -0.71 0.76 114.58 122.63 1x4h h GLU 34 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1x4h h GLU 34 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1x4h h GLU 34 CO 0.19 0.00 -0.01 0.28 -1.16 0.00 0.00 179.01 178.31 1x4h h VAL 35 N 0.00 1.39 0.00 3.13 2.07 -0.92 -3.32 116.25 118.61 1x4h h VAL 35 Ca 0.46 -1.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1x4h h VAL 35 Cb 2.82 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 35.09 1x4h h VAL 35 CO -0.00 0.43 -0.38 -0.07 0.02 0.00 0.00 177.57 177.57 1x4h h LEU 36 N -0.89 0.00 -0.90 2.57 3.38 0.50 -3.03 115.31 116.94 1x4h h LEU 36 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1x4h h LEU 36 Cb 0.73 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 1x4h h LEU 36 CO 0.01 0.38 0.53 1.56 0.09 0.00 0.00 178.44 181.00 1x4h h GLN 37 N 0.00 0.78 -0.92 1.13 4.20 -0.70 -1.70 115.11 117.91 1x4h h GLN 37 Ca -0.00 -0.05 0.34 0.00 0.06 0.00 0.00 58.65 59.00 1x4h h GLN 37 Cb 0.76 -0.18 -0.17 0.00 0.30 0.00 0.00 27.48 28.20 1x4h h GLN 37 CO 0.05 0.52 0.33 0.00 -0.67 0.00 0.00 178.83 179.05 1x4h n GLN 38 N -4.74 -0.06 -0.04 1.46 10.64 -1.14 0.33 117.38 123.83 1x4h n GLN 38 Ca 0.17 1.30 -0.14 0.00 -1.83 0.00 0.00 57.00 56.50 1x4h n GLN 38 Cb 0.37 -2.24 -0.12 0.00 -0.86 0.00 0.00 30.24 27.40 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 0.12 -2.29 2.61 0.04 -1.53 -3.48 116.94 112.40 1x4h h PHE 39 Ca 0.70 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 61.41 1x4h h PHE 39 Cb 1.74 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 39.71 1x4h h PHE 39 CO -0.17 0.85 0.29 0.20 -0.60 0.00 0.00 178.31 178.88 1x4h s GLY 40 N -3.83 -0.53 -0.01 -1.45 0.00 0.15 -4.92 107.32 96.73 1x4h s GLY 40 Ca -0.17 1.12 -0.33 0.00 0.00 0.00 0.00 44.72 45.33 1x4h s GLY 40 CO 0.71 0.62 1.83 1.22 0.00 0.00 0.00 173.10 177.48 1x4h n ASP 41 N 0.30 3.50 -4.68 1.64 9.92 -1.26 -3.98 116.55 122.00 1x4h n ASP 41 Ca -0.16 0.99 -0.42 0.00 -0.53 0.00 0.00 54.79 54.67 1x4h n ASP 41 Cb 0.60 -1.41 -0.03 0.00 -0.64 0.00 0.00 41.12 39.64 1x4h n ASP 41 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1x4h s LEU 42 N 3.38 4.23 0.09 0.64 1.43 -1.26 -1.84 118.68 125.35 1x4h s LEU 42 Ca 0.89 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 55.27 1x4h s LEU 42 Cb -0.65 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 1x4h s LEU 42 CO 0.47 -0.43 1.47 0.50 0.23 0.00 0.00 176.35 178.58 1x4h h LYS 43 N 7.14 0.57 -2.03 1.70 1.63 0.14 -3.46 116.57 122.27 1x4h h LYS 43 Ca -0.31 -0.24 0.02 0.00 -0.85 0.00 0.00 60.65 59.27 1x4h h LYS 43 Cb 1.14 -0.02 -0.21 0.00 -0.60 0.00 0.00 32.23 32.54 1x4h h LYS 43 CO 0.85 0.80 -0.00 1.52 -3.45 0.00 0.00 179.45 179.17 1x4h s TYR 44 N -4.66 -1.06 -0.25 1.91 -0.85 -1.23 -4.99 117.35 106.21 1x4h s TYR 44 Ca -0.13 2.11 0.02 0.00 -0.52 0.00 0.00 57.07 58.55 1x4h s TYR 44 Cb 0.08 0.63 0.05 0.00 0.38 0.00 0.00 41.96 43.10 1x4h s TYR 44 CO 0.78 -0.53 -0.11 0.54 -1.52 0.00 0.00 175.55 174.71 1x4h s VAL 45 N 1.70 2.25 -0.03 -3.49 0.11 -1.26 -1.50 120.40 118.18 1x4h s VAL 45 Ca -0.10 -1.50 0.05 0.00 -2.93 0.00 0.00 61.98 57.51 1x4h s VAL 45 Cb -0.06 -2.27 -0.01 0.00 -1.53 0.00 0.00 36.38 32.52 1x4h s VAL 45 CO -0.20 0.05 -0.17 -0.60 -3.33 0.00 0.00 175.10 170.85 1x4h s ARG 46 N 1.15 1.59 -0.18 1.54 3.00 -0.54 -4.95 118.95 120.57 1x4h s ARG 46 Ca -0.06 -0.62 0.01 0.00 -1.00 0.00 0.00 55.73 54.05 1x4h s ARG 46 Cb -0.19 -1.46 0.01 0.00 0.00 0.00 0.00 34.95 33.31 1x4h s ARG 46 CO -0.06 0.31 -0.18 0.54 0.00 0.00 0.00 175.30 175.92 1x4h s VAL 47 N -0.20 2.27 0.38 7.11 0.11 -1.26 -0.86 120.40 127.95 1x4h s VAL 47 Ca 0.02 -0.88 -0.28 0.00 -2.93 0.00 0.00 61.98 57.91 1x4h s VAL 47 Cb -0.09 -1.96 -0.10 0.00 -1.53 0.00 0.00 36.38 32.70 1x4h s VAL 47 CO 0.01 0.53 1.44 0.54 -3.33 0.00 0.00 175.10 174.28 1x4h s VAL 48 N 1.19 2.21 0.08 2.04 0.11 -1.22 -5.02 120.40 119.78 1x4h s VAL 48 Ca 0.02 0.20 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1x4h s VAL 48 Cb -0.14 -3.13 -0.03 0.00 -1.53 0.00 0.00 36.38 31.55 1x4h s VAL 48 CO -0.09 0.05 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.83 1x4h s LEU 49 N -2.12 2.29 0.38 2.54 1.43 -1.26 -3.53 118.68 118.42 1x4h s LEU 49 Ca 0.53 -0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1x4h s LEU 49 Cb -0.45 -0.51 -0.10 0.00 0.03 0.00 0.00 46.19 45.16 1x4h s LEU 49 CO 0.60 -0.09 1.44 -2.28 0.23 0.00 0.00 176.35 176.25 1x4h s HIS 50 N -1.36 2.64 0.24 0.29 2.46 -1.16 -4.86 115.29 113.55 1x4h s HIS 50 Ca -0.01 1.23 0.21 0.00 0.47 0.00 0.00 55.06 56.96 1x4h s HIS 50 Cb -0.09 -3.94 0.92 0.00 -0.13 0.00 0.00 32.58 29.34 1x4h s HIS 50 CO 0.02 -2.77 1.85 -1.00 -2.47 0.00 0.00 174.74 170.37 1x4h h PRO 51 N 2.93 0.00 0.03 2.88 0.13 -2.00 -3.25 132.00 132.71 1x4h h PRO 51 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1x4h h PRO 51 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x4h h PRO 51 CO 0.64 0.28 -0.01 0.22 -0.23 0.00 0.00 178.00 178.89 1x4h h ASP 52 N 0.00 -0.03 -5.54 1.44 3.58 -1.99 -3.49 116.42 110.39 1x4h h ASP 52 Ca -0.00 -0.63 -0.43 0.00 0.42 0.00 0.00 57.03 56.39 1x4h h ASP 52 Cb 0.70 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 41.62 1x4h h ASP 52 CO 0.04 0.76 -0.52 0.28 -2.88 0.00 0.00 179.24 176.91 1x4h s THR 53 N -2.32 0.07 0.00 2.25 -1.32 -1.23 -5.03 115.64 108.06 1x4h s THR 53 Ca -0.13 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.30 1x4h s THR 53 Cb -0.02 -2.49 -0.23 0.00 -1.51 0.00 0.00 72.50 68.26 1x4h s THR 53 CO 0.48 0.00 3.33 -0.62 -2.21 0.00 0.00 174.62 175.60 1x4h n GLU 54 N -0.58 1.81 -3.34 7.08 1.02 -1.26 -3.42 120.64 121.96 1x4h n GLU 54 Ca 0.05 -0.84 -0.47 0.00 -0.02 0.00 0.00 57.16 55.89 1x4h n GLU 54 Cb 0.63 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.91 3.70 -0.43 -0.32 3.76 -1.26 -4.90 115.29 116.75 1x4h s HIS 55 Ca 0.56 -1.95 -0.42 0.00 -0.15 0.00 0.00 55.06 53.11 1x4h s HIS 55 Cb 0.27 -3.80 -0.17 0.00 1.11 0.00 0.00 32.58 30.00 1x4h s HIS 55 CO 0.00 -0.99 2.02 0.45 -0.85 0.00 0.00 174.74 175.37 1x4h n SER 56 N 4.09 1.43 -0.47 1.40 2.88 -1.26 -3.01 113.62 118.68 1x4h n SER 56 Ca 0.11 0.74 0.40 0.00 -1.33 0.00 0.00 58.87 58.78 1x4h n SER 56 Cb 0.46 -1.03 0.67 0.00 -0.75 0.00 0.00 64.21 63.56 1x4h n SER 56 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x4h h LYS 57 N 9.07 0.02 0.00 -1.46 1.57 -1.89 -3.43 116.57 120.45 1x4h h LYS 57 Ca -0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1x4h h LYS 57 Cb 1.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1x4h h LYS 57 CO 1.04 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 1x4h n GLY 58 N -1.52 1.06 3.38 3.86 0.00 -1.26 -5.00 105.19 105.71 1x4h n GLY 58 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.01 -1.48 -0.08 0.00 0.00 -0.89 -3.46 121.76 111.85 1x4h s ALA 60 Ca 0.22 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1x4h s ALA 60 Cb 0.03 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1x4h s ALA 60 CO 0.04 -0.57 -0.24 -0.06 0.00 0.00 0.00 175.76 174.94 1x4h s PHE 61 N -2.69 2.51 0.30 0.00 0.40 -0.04 -0.91 117.98 117.56 1x4h s PHE 61 Ca -0.04 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.49 1x4h s PHE 61 Cb -0.00 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 1x4h s PHE 61 CO -0.04 -0.28 0.10 0.00 0.70 0.00 0.00 175.22 175.71 1x4h s ALA 62 N 0.03 2.05 0.00 5.36 0.00 0.21 -1.47 121.76 127.94 1x4h s ALA 62 Ca -0.09 -1.83 -0.00 0.00 0.00 0.00 0.00 51.96 50.04 1x4h s ALA 62 Cb -0.15 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1x4h s ALA 62 CO 0.06 -0.42 0.01 -1.14 0.00 0.00 0.00 175.76 174.26 1x4h s GLN 63 N -3.93 0.08 0.45 0.00 0.74 -0.56 -1.66 119.66 114.79 1x4h s GLN 63 Ca 0.36 -0.12 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1x4h s GLN 63 Cb 0.07 0.03 0.02 0.00 1.10 0.00 0.00 33.01 34.23 1x4h s GLN 63 CO 0.15 -0.01 0.54 -0.06 -0.55 0.00 0.00 175.29 175.36 1x4h s PHE 64 N -0.32 2.49 -0.13 1.67 0.40 -1.26 0.77 117.98 121.60 1x4h s PHE 64 Ca -0.04 -0.50 0.17 0.00 -0.60 0.00 0.00 56.93 55.96 1x4h s PHE 64 Cb -0.02 -2.27 -0.12 0.00 0.51 0.00 0.00 43.02 41.12 1x4h s PHE 64 CO -0.00 -0.46 0.87 0.52 0.70 0.00 0.00 175.22 176.84 1x4h h MET 65 N 0.68 0.00 -4.60 0.44 2.86 -1.69 -3.40 114.93 109.22 1x4h h MET 65 Ca -0.39 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 56.87 1x4h h MET 65 Cb 1.28 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.65 1x4h h MET 65 CO 0.48 0.29 -0.78 0.95 1.06 0.00 0.00 176.91 178.92 1x4h s THR 66 N -2.94 0.66 0.19 2.22 -4.23 -1.26 -5.05 115.64 105.24 1x4h s THR 66 Ca -0.02 -0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1x4h s THR 66 Cb 0.09 -0.57 0.18 0.00 1.34 0.00 0.00 72.50 73.54 1x4h s THR 66 CO 0.81 0.19 1.63 1.56 -0.54 0.00 0.00 174.62 178.28 1x4h h GLN 67 N 6.07 -0.03 -0.99 3.99 4.20 -1.90 0.16 115.11 126.62 1x4h h GLN 67 Ca -0.31 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.61 1x4h h GLN 67 Cb 1.18 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.87 1x4h h GLN 67 CO 0.49 -0.02 0.62 1.49 -0.67 0.00 0.00 178.83 180.75 1x4h h GLU 68 N -0.03 0.58 0.37 1.46 4.81 -1.98 -2.07 114.58 117.72 1x4h h GLU 68 Ca 0.26 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1x4h h GLU 68 Cb 0.43 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1x4h h GLU 68 CO -0.58 0.39 -0.50 0.00 -0.73 0.00 0.00 179.01 177.59 1x4h h ALA 69 N 1.64 -1.09 -0.78 2.92 0.00 -1.03 0.32 119.26 121.23 1x4h h ALA 69 Ca 0.56 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.49 1x4h h ALA 69 Cb 1.09 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 19.54 1x4h h ALA 69 CO -0.32 -1.16 0.19 0.00 0.00 0.00 0.00 179.25 177.97 1x4h h ALA 70 N -0.82 1.04 -0.33 0.00 0.00 -1.31 0.17 119.26 118.01 1x4h h ALA 70 Ca -0.04 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x4h h ALA 70 Cb 0.82 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1x4h h ALA 70 CO -0.13 -0.37 0.20 1.96 0.00 0.00 0.00 179.25 180.90 1x4h h GLN 71 N 0.25 0.45 -0.28 0.00 1.08 -1.19 -2.07 115.11 113.36 1x4h h GLN 71 Ca 0.46 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.65 1x4h h GLN 71 Cb 0.82 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1x4h h GLN 71 CO -0.56 0.36 0.19 0.87 -0.95 0.00 0.00 178.83 178.74 1x4h h LYS 72 N 0.42 0.19 -0.03 1.46 1.57 0.99 -0.70 116.57 120.47 1x4h h LYS 72 Ca 0.12 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 1x4h h LYS 72 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1x4h h LYS 72 CO -0.02 0.12 -0.66 0.00 -0.57 0.00 0.00 179.45 178.32 1x4h h LEU 74 N 0.10 -0.30 -1.50 0.00 3.38 -0.56 -0.61 115.31 115.83 1x4h h LEU 74 Ca -0.01 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1x4h h LEU 74 Cb 1.18 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1x4h h LEU 74 CO 0.10 -0.14 1.01 0.00 0.09 0.00 0.00 178.44 179.50 1x4h h ALA 75 N -1.69 2.88 0.08 1.53 0.00 -1.59 1.38 119.26 121.85 1x4h h ALA 75 Ca -0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1x4h h ALA 75 Cb 0.27 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x4h h ALA 75 CO 0.06 -1.53 -1.53 0.00 0.00 0.00 0.00 179.25 176.25 1x4h h ALA 76 N 0.92 0.38 -0.00 0.00 0.00 -1.50 -3.35 119.26 115.70 1x4h h ALA 76 Ca 0.48 -1.17 -0.24 0.00 0.00 0.00 0.00 54.91 53.98 1x4h h ALA 76 Cb 2.49 0.29 0.01 0.00 0.00 0.00 0.00 17.79 20.59 1x4h h ALA 76 CO -0.01 1.24 -0.97 0.00 0.00 0.00 0.00 179.25 179.51 1x4h h ALA 77 N 0.61 0.28 -2.29 0.00 0.00 0.33 -2.95 119.26 115.24 1x4h h ALA 77 Ca -0.23 -0.70 -0.55 0.00 0.00 0.00 0.00 54.91 53.43 1x4h h ALA 77 Cb 1.99 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1x4h h ALA 77 CO 0.14 0.77 1.03 0.45 0.00 0.00 0.00 179.25 181.64 1x4h s SER 78 N -7.16 6.70 0.36 0.00 0.15 0.72 -3.49 113.70 110.99 1x4h s SER 78 Ca -0.07 2.21 0.19 0.00 0.70 0.00 0.00 55.95 58.99 1x4h s SER 78 Cb 0.08 -2.54 0.40 0.00 -1.71 0.00 0.00 66.02 62.25 1x4h s SER 78 CO 0.89 -0.88 1.60 0.17 1.20 0.00 0.00 173.24 176.22 1x4h h LEU 79 N 9.72 0.00 -0.75 3.45 -0.00 -1.85 -2.98 115.31 122.91 1x4h h LEU 79 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1x4h h LEU 79 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1x4h h LEU 79 CO 0.95 0.32 0.00 -1.84 -0.00 0.00 0.00 178.44 177.86 1x4h n GLU 80 N -3.25 1.51 0.00 0.17 0.28 -1.26 -3.75 120.64 114.34 1x4h n GLU 80 Ca 0.02 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.27 1x4h n GLU 80 Cb 0.60 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1x4h n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4h n ALA 81 N -0.08 -0.05 -3.57 -1.84 0.00 -1.12 -4.97 120.51 108.87 1x4h n ALA 81 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 1x4h n ALA 81 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.70 0.50 0.00 0.00 2.02 -1.26 -4.95 118.70 114.31 1x4h s GLU 82 Ca 0.00 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1x4h s GLU 82 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 34.13 34.87 1x4h s GLU 82 CO 0.00 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1x4h n GLY 83 N 5.43 1.48 0.00 -1.39 0.00 -1.26 -4.82 105.19 104.63 1x4h n GLY 83 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.88 0.00 -0.02 0.00 -1.25 -5.05 105.19 97.00 1x4h n GLY 84 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.09 2.55 3.93 -0.02 0.00 -1.24 -4.38 105.19 104.94 1x4h n GLY 85 Ca 0.00 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 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 0.00 3.83 -0.12 0.99 1.02 -1.12 -4.92 118.68 118.37 1x4h s LEU 86 Ca 0.00 0.56 -0.07 0.00 0.02 0.00 0.00 54.13 54.64 1x4h s LEU 86 Cb 0.00 -3.45 0.04 0.00 0.02 0.00 0.00 46.19 42.80 1x4h s LEU 86 CO 0.00 -0.45 0.28 -0.54 0.02 0.00 0.00 176.35 175.66 1x4h s LYS 87 N -4.49 0.27 -0.39 1.70 1.02 -1.26 -2.29 119.74 114.30 1x4h s LYS 87 Ca 0.44 0.54 0.01 0.00 0.02 0.00 0.00 55.97 56.98 1x4h s LYS 87 Cb -0.10 -0.04 0.11 0.00 -0.52 0.00 0.00 37.83 37.28 1x4h s LYS 87 CO 0.39 -0.13 0.14 -1.17 -0.92 0.00 0.00 175.35 173.65 1x4h s LEU 88 N 1.04 4.97 -0.51 3.17 2.96 -0.54 -4.63 118.68 125.13 1x4h s LEU 88 Ca -0.07 -2.17 0.00 0.00 -0.22 0.00 0.00 54.13 51.67 1x4h s LEU 88 Cb -0.08 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1x4h s LEU 88 CO -0.07 -0.44 0.00 -0.67 -1.32 0.00 0.00 176.35 173.84 1x4h n ASP 89 N 4.32 -2.66 0.00 3.68 2.03 -1.26 -3.25 116.55 119.41 1x4h n ASP 89 Ca 0.02 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1x4h n ASP 89 Cb 0.41 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 1x4h n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4h n GLY 90 N -1.31 0.76 2.98 0.27 0.00 -1.26 -5.06 105.19 101.56 1x4h n GLY 90 Ca -0.06 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.35 2.00 -0.03 1.61 1.81 -1.20 -5.10 118.95 115.69 1x4h s ARG 91 Ca 0.00 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 1x4h s ARG 91 Cb 0.00 -1.88 -0.06 0.00 -0.45 0.00 0.00 34.95 32.55 1x4h s ARG 91 CO 0.00 -0.23 1.72 -1.14 -0.68 0.00 0.00 175.30 174.97 1x4h s GLN 92 N 1.51 4.17 -0.12 3.54 -0.44 -1.26 -1.47 119.66 125.60 1x4h s GLN 92 Ca 0.04 2.29 -0.15 0.00 -2.50 0.00 0.00 55.36 55.03 1x4h s GLN 92 Cb -0.13 -4.00 -0.05 0.00 -1.64 0.00 0.00 33.01 27.19 1x4h s GLN 92 CO -0.09 -0.86 0.37 -0.51 0.50 0.00 0.00 175.29 174.70 1x4h s LEU 93 N 4.05 4.30 -0.41 3.68 1.43 -0.97 -4.60 118.68 126.16 1x4h s LEU 93 Ca 0.77 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.50 1x4h s LEU 93 Cb -0.36 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.44 1x4h s LEU 93 CO 0.32 0.11 0.23 -0.54 0.23 0.00 0.00 176.35 176.70 1x4h s LYS 94 N 0.20 2.33 -0.20 1.70 1.02 -0.48 -4.54 119.74 119.76 1x4h s LYS 94 Ca 0.21 -1.64 -0.13 0.00 0.02 0.00 0.00 55.97 54.44 1x4h s LYS 94 Cb -0.14 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 1x4h s LYS 94 CO 0.08 -1.01 0.25 0.08 -0.92 0.00 0.00 175.35 173.83 1x4h s VAL 95 N 1.28 5.31 -0.01 3.17 1.01 -1.25 -0.27 120.40 129.65 1x4h s VAL 95 Ca 0.05 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1x4h s VAL 95 Cb -0.23 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1x4h s VAL 95 CO -0.01 0.35 0.05 -0.62 0.00 0.00 0.00 175.10 174.86 1x4h s ASP 96 N 0.79 0.01 -0.51 3.32 -1.08 -0.25 -4.73 116.67 114.22 1x4h s ASP 96 Ca 0.13 -0.04 -0.26 0.00 -0.52 0.00 0.00 52.55 51.86 1x4h s ASP 96 Cb -0.13 0.12 -0.06 0.00 -1.46 0.00 0.00 42.92 41.39 1x4h s ASP 96 CO 0.04 -0.11 2.32 -0.22 0.52 0.00 0.00 175.17 177.73 1x4h s LEU 97 N -0.40 3.39 0.00 -1.34 1.98 -1.26 0.01 118.68 121.06 1x4h s LEU 97 Ca -0.05 0.97 -0.08 0.00 -2.89 0.00 0.00 54.13 52.09 1x4h s LEU 97 Cb -0.03 -2.52 0.14 0.00 0.66 0.00 0.00 46.19 44.44 1x4h s LEU 97 CO 0.00 -2.80 0.85 0.00 -1.89 0.00 0.00 176.35 172.51 1x4h n ALA 98 N 15.42 -0.73 -3.93 5.97 0.00 -1.25 -4.92 120.51 131.05 1x4h n ALA 98 Ca 0.34 -1.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 1x4h n ALA 98 Cb 0.54 0.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.85 1x4h n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x4h s VAL 99 N -2.74 1.49 -0.93 0.00 1.01 -1.26 -4.51 120.40 113.46 1x4h s VAL 99 Ca 0.50 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 1x4h s VAL 99 Cb -0.02 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.68 1x4h s VAL 99 CO 0.35 -0.08 1.30 -0.89 0.00 0.00 0.00 175.10 175.77 1x4h s THR 100 N 1.42 4.13 0.91 3.92 2.01 -1.26 -5.01 115.64 121.76 1x4h s THR 100 Ca -0.05 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1x4h s THR 100 Cb -0.19 -4.94 0.14 0.00 0.01 0.00 0.00 72.50 67.53 1x4h s THR 100 CO -0.06 -1.78 1.10 0.00 -0.69 0.00 0.00 174.62 173.18 1x4h s ARG 101 N 4.44 1.08 -0.02 4.92 1.04 -1.26 -5.06 118.95 124.10 1x4h s ARG 101 Ca 0.39 1.08 0.04 0.00 -1.04 0.00 0.00 55.73 56.20 1x4h s ARG 101 Cb -0.04 -1.77 -0.01 0.00 -2.04 0.00 0.00 34.95 31.09 1x4h s ARG 101 CO -0.05 -2.43 -0.14 -0.51 -0.04 0.00 0.00 175.30 172.13 1x4h s ASP 102 N -3.10 1.72 -0.53 -2.89 1.11 -1.26 -5.04 116.67 106.68 1x4h s ASP 102 Ca 0.64 -0.27 0.02 0.00 0.18 0.00 0.00 52.55 53.12 1x4h s ASP 102 Cb -0.20 -0.27 0.44 0.00 1.07 0.00 0.00 42.92 43.97 1x4h s ASP 102 CO 0.58 0.16 1.67 1.21 1.18 0.00 0.00 175.17 179.97 1x4h n GLU 103 N 2.85 3.08 -2.60 8.23 2.13 -1.26 -4.93 120.64 128.14 1x4h n GLU 103 Ca -0.15 -3.72 -0.43 0.00 0.66 0.00 0.00 57.16 53.52 1x4h n GLU 103 Cb 0.55 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 29.95 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x4h s ALA 104 N -3.75 3.22 -1.55 4.31 0.00 -1.26 -3.83 121.76 118.89 1x4h s ALA 104 Ca 0.58 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1x4h s ALA 104 Cb 0.46 -3.85 0.09 0.00 0.00 0.00 0.00 23.12 19.82 1x4h s ALA 104 CO -0.04 -2.11 0.83 0.00 0.00 0.00 0.00 175.76 174.44 1x4h n ALA 105 N 7.68 -1.43 -2.61 0.00 0.00 -1.26 -4.85 120.51 118.03 1x4h n ALA 105 Ca 0.12 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1x4h n ALA 105 Cb 0.49 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 16.35 1x4h n ALA 105 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x4h s SER 106 N -3.53 6.69 0.00 0.00 0.01 -1.25 -4.80 113.70 110.81 1x4h s SER 106 Ca 0.55 -2.01 0.00 0.00 1.31 0.00 0.00 55.95 55.79 1x4h s SER 106 Cb -0.28 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1x4h s SER 106 CO 0.87 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1x4h n GLY 107 N 6.00 4.38 3.59 3.44 0.00 -1.26 -5.13 105.19 116.21 1x4h n GLY 107 Ca 0.40 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.91 -1.27 -0.54 1.61 0.04 -1.26 -5.00 135.00 125.67 1x4h s PRO 108 Ca 0.00 -0.08 -0.12 0.00 0.04 0.00 0.00 61.00 60.84 1x4h s PRO 108 Cb 0.00 -1.59 0.14 0.00 0.04 0.00 0.00 34.50 33.08 1x4h s PRO 108 CO 0.00 -3.74 0.45 0.45 0.04 0.00 0.00 177.00 174.20 1x4h s SER 109 N -3.90 5.96 0.09 6.66 0.15 -1.26 -5.03 113.70 116.36 1x4h s SER 109 Ca 0.71 -2.00 -0.14 0.00 0.70 0.00 0.00 55.95 55.21 1x4h s SER 109 Cb -0.09 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1x4h s SER 109 CO 0.56 -0.72 0.34 -0.44 1.20 0.00 0.00 173.24 174.17 1x4h s SER 110 N 2.84 -0.14 0.00 5.45 0.01 -1.26 -5.36 113.70 115.24 1x4h s SER 110 Ca 0.07 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1x4h s SER 110 Cb -0.26 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1x4h s SER 110 CO -0.00 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.51