#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 0.20 -0.29 1.61 0.01 -1.26 -5.18 113.70 108.80 1x4h s SER 2 Ca 0.00 -1.11 -0.16 0.00 1.31 0.00 0.00 55.95 56.00 1x4h s SER 2 Cb 0.00 0.70 0.11 0.00 0.21 0.00 0.00 66.02 67.04 1x4h s SER 2 CO 0.00 -1.36 0.81 -0.55 0.41 0.00 0.00 173.24 172.55 1x4h s SER 3 N -3.08 -0.77 0.00 2.44 0.15 -1.26 -5.12 113.70 106.05 1x4h s SER 3 Ca 0.21 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1x4h s SER 3 Cb -0.02 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1x4h s SER 3 CO 0.13 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x4h n GLY 4 N 4.18 -0.85 3.91 9.45 0.00 -1.26 -5.03 105.19 115.59 1x4h n GLY 4 Ca -0.18 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.46 -4.94 1.61 3.41 -1.26 -4.96 113.62 103.02 1x4h n SER 5 Ca 0.00 -0.79 -0.24 0.00 -0.26 0.00 0.00 58.87 57.58 1x4h n SER 5 Cb 0.00 -3.86 0.03 0.00 -0.26 0.00 0.00 64.21 60.12 1x4h n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4h s SER 6 N -3.40 5.54 -0.29 4.04 0.01 -1.26 -5.11 113.70 113.23 1x4h s SER 6 Ca 0.61 0.36 -0.26 0.00 1.31 0.00 0.00 55.95 57.97 1x4h s SER 6 Cb -0.31 -1.39 0.18 0.00 0.21 0.00 0.00 66.02 64.70 1x4h s SER 6 CO 0.83 -0.99 1.34 -0.83 0.41 0.00 0.00 173.24 174.00 1x4h s GLY 7 N -4.32 0.21 0.29 3.44 0.00 -1.26 -5.17 107.32 100.52 1x4h s GLY 7 Ca 0.53 3.25 -0.11 0.00 0.00 0.00 0.00 44.72 48.39 1x4h s GLY 7 CO 0.41 1.81 0.64 0.48 0.00 0.00 0.00 173.10 176.44 1x4h s LEU 8 N -0.07 4.08 0.02 0.66 2.34 -1.26 -5.03 118.68 119.42 1x4h s LEU 8 Ca 0.06 1.06 -0.30 0.00 0.06 0.00 0.00 54.13 55.01 1x4h s LEU 8 Cb -0.04 -3.85 -0.06 0.00 -0.56 0.00 0.00 46.19 41.67 1x4h s LEU 8 CO -0.13 -0.17 1.43 -2.16 -1.06 0.00 0.00 176.35 174.27 1x4h s PRO 9 N -3.05 4.28 -0.35 1.48 0.04 -1.26 -5.00 135.00 131.13 1x4h s PRO 9 Ca 0.50 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.50 1x4h s PRO 9 Cb -0.11 -3.54 0.05 0.00 0.04 0.00 0.00 34.50 30.95 1x4h s PRO 9 CO 0.22 -0.58 0.12 0.45 0.04 0.00 0.00 177.00 177.25 1x4h s SER 10 N 1.85 5.32 0.40 6.66 0.15 -1.26 -5.08 113.70 121.73 1x4h s SER 10 Ca 0.65 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 56.10 1x4h s SER 10 Cb -0.33 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.04 1x4h s SER 10 CO 0.28 -0.36 0.02 -1.81 1.20 0.00 0.00 173.24 172.57 1x4h s ASP 11 N 1.51 3.49 -0.17 5.45 1.11 -1.26 -5.14 116.67 121.66 1x4h s ASP 11 Ca -0.01 -1.40 -0.08 0.00 0.18 0.00 0.00 52.55 51.24 1x4h s ASP 11 Cb -0.20 -0.23 -0.04 0.00 1.07 0.00 0.00 42.92 43.52 1x4h s ASP 11 CO 0.02 -0.53 0.09 0.54 1.18 0.00 0.00 175.17 176.47 1x4h s VAL 12 N -2.88 5.05 0.18 -1.27 0.11 -1.26 -5.10 120.40 115.23 1x4h s VAL 12 Ca 0.33 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.44 1x4h s VAL 12 Cb 0.09 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1x4h s VAL 12 CO 0.16 0.48 0.04 0.42 -3.33 0.00 0.00 175.10 172.88 1x4h s THR 13 N 0.10 0.43 -0.92 5.04 -4.23 -1.26 -5.09 115.64 109.72 1x4h s THR 13 Ca 0.07 -1.97 -0.24 0.00 -1.18 0.00 0.00 61.69 58.37 1x4h s THR 13 Cb -0.12 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.54 1x4h s THR 13 CO 0.00 -0.35 1.43 -1.83 -0.54 0.00 0.00 174.62 173.33 1x4h s GLU 14 N -3.99 3.40 -0.31 3.99 -1.05 -1.26 -4.77 118.70 114.70 1x4h s GLU 14 Ca 0.28 -0.77 0.17 0.00 -0.15 0.00 0.00 54.97 54.49 1x4h s GLU 14 Cb 0.07 -4.96 0.47 0.00 -0.44 0.00 0.00 34.13 29.27 1x4h s GLU 14 CO 0.06 -2.26 1.05 0.41 0.95 0.00 0.00 175.26 175.47 1x4h n GLY 15 N 6.40 2.70 3.07 -3.83 0.00 -1.26 -5.05 105.19 107.22 1x4h n GLY 15 Ca 0.24 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.47 2.64 0.09 1.61 1.02 -1.26 -4.93 119.74 115.44 1x4h s LYS 16 Ca 0.32 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 1x4h s LYS 16 Cb 0.40 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1x4h s LYS 16 CO -0.02 -0.25 0.00 0.99 -0.92 0.00 0.00 175.35 175.15 1x4h s THR 17 N 1.36 0.23 -0.25 2.17 2.01 -1.26 -3.97 115.64 115.92 1x4h s THR 17 Ca 0.04 -1.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.10 1x4h s THR 17 Cb -0.14 -1.76 0.12 0.00 0.01 0.00 0.00 72.50 70.73 1x4h s THR 17 CO -0.11 -0.76 0.53 0.68 -0.69 0.00 0.00 174.62 174.27 1x4h s VAL 18 N -3.94 -0.83 -0.17 3.82 -7.23 -0.52 -4.01 120.40 107.52 1x4h s VAL 18 Ca 0.15 0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.35 1x4h s VAL 18 Cb 0.08 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 1x4h s VAL 18 CO -0.04 0.02 -0.05 0.12 -0.31 0.00 0.00 175.10 174.83 1x4h s PHE 19 N 2.75 2.96 -0.17 2.82 5.36 0.83 -0.24 117.98 132.29 1x4h s PHE 19 Ca -0.01 -0.57 -0.10 0.00 -0.96 0.00 0.00 56.93 55.30 1x4h s PHE 19 Cb -0.12 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.52 1x4h s PHE 19 CO -0.16 -0.24 0.15 0.42 -1.46 0.00 0.00 175.22 173.93 1x4h s ILE 20 N 0.75 5.42 0.25 3.12 1.09 0.16 -1.20 121.20 130.78 1x4h s ILE 20 Ca -0.02 0.24 0.11 0.00 -1.10 0.00 0.00 60.65 59.88 1x4h s ILE 20 Cb -0.15 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 37.73 1x4h s ILE 20 CO 0.02 0.48 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.03 1x4h s ARG 21 N 0.02 1.74 -1.06 2.79 0.52 0.40 -2.02 118.95 121.34 1x4h s ARG 21 Ca 0.11 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 53.63 1x4h s ARG 21 Cb -0.11 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.49 1x4h s ARG 21 CO 0.00 0.36 0.88 -1.71 0.02 0.00 0.00 175.30 174.86 1x4h n ASN 22 N -0.37 -5.38 -4.79 0.23 5.15 -0.94 -1.99 115.26 107.18 1x4h n ASN 22 Ca -0.08 -0.40 -0.34 0.00 -0.60 0.00 0.00 54.58 53.16 1x4h n ASN 22 Cb 0.58 -4.00 -0.02 0.00 -0.53 0.00 0.00 39.78 35.81 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 -5.83 3.79 0.00 1.20 1.43 -1.06 -4.55 118.68 113.66 1x4h s LEU 23 Ca 0.44 2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 55.51 1x4h s LEU 23 Cb -0.19 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 1x4h s LEU 23 CO 0.54 -0.99 0.25 -0.55 0.23 0.00 0.00 176.35 175.84 1x4h s SER 24 N -1.92 6.47 0.53 2.29 0.15 -1.26 -4.48 113.70 115.48 1x4h s SER 24 Ca 0.69 0.53 0.34 0.00 0.70 0.00 0.00 55.95 58.21 1x4h s SER 24 Cb -0.20 -2.08 1.49 0.00 -1.71 0.00 0.00 66.02 63.53 1x4h s SER 24 CO 0.24 0.26 1.82 0.15 1.20 0.00 0.00 173.24 176.90 1x4h h PHE 25 N 3.98 0.06 -0.11 3.44 3.57 -1.93 0.76 116.94 126.71 1x4h h PHE 25 Ca -0.50 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.91 1x4h h PHE 25 Cb 1.20 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1x4h h PHE 25 CO 0.68 0.01 -0.34 0.22 -2.23 0.00 0.00 178.31 176.65 1x4h h ASP 26 N 0.04 0.22 -3.48 0.41 3.58 -1.93 -3.44 116.42 111.81 1x4h h ASP 26 Ca 0.53 -0.08 -0.56 0.00 0.42 0.00 0.00 57.03 57.34 1x4h h ASP 26 Cb 2.06 -0.06 0.12 0.00 1.72 0.00 0.00 39.33 43.18 1x4h h ASP 26 CO -0.03 0.55 0.49 -0.24 -2.88 0.00 0.00 179.24 177.13 1x4h n SER 27 N -4.09 2.58 -3.98 2.28 2.88 0.27 -5.01 113.62 108.55 1x4h n SER 27 Ca -0.01 1.13 -0.09 0.00 -1.33 0.00 0.00 58.87 58.57 1x4h n SER 27 Cb 0.42 -1.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.28 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 -2.11 0.34 0.39 -1.46 2.02 -1.26 -4.93 118.70 111.68 1x4h s GLU 28 Ca 0.59 -0.63 0.21 0.00 0.02 0.00 0.00 54.97 55.17 1x4h s GLU 28 Cb -0.52 0.12 1.22 0.00 0.10 0.00 0.00 34.13 35.05 1x4h s GLU 28 CO 0.59 -0.06 1.67 1.49 0.02 0.00 0.00 175.26 178.97 1x4h h GLU 29 N 4.54 0.23 0.66 1.61 4.81 -1.95 0.44 114.58 124.92 1x4h h GLU 29 Ca -0.32 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1x4h h GLU 29 Cb 1.21 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1x4h h GLU 29 CO 0.42 0.15 -0.32 1.49 -0.73 0.00 0.00 179.01 180.03 1x4h h GLU 30 N 0.24 -0.85 0.72 1.92 4.57 -1.95 -2.75 114.58 116.48 1x4h h GLU 30 Ca 0.74 0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.94 1x4h h GLU 30 Cb 1.98 0.19 0.01 0.00 -0.16 0.00 0.00 28.75 30.77 1x4h h GLU 30 CO -0.48 -0.54 -0.35 0.00 -1.18 0.00 0.00 179.01 176.47 1x4h h ALA 31 N -1.08 -0.96 -0.96 2.92 0.00 -1.51 -2.33 119.26 115.34 1x4h h ALA 31 Ca -0.09 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.71 1x4h h ALA 31 Cb 0.70 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 1x4h h ALA 31 CO 0.15 -1.04 -0.51 -0.11 0.00 0.00 0.00 179.25 177.73 1x4h n LEU 32 N -5.51 -0.91 -0.08 0.00 0.00 0.14 -0.37 117.00 110.28 1x4h n LEU 32 Ca -0.14 1.70 -0.07 0.00 0.00 0.00 0.00 56.01 57.50 1x4h n LEU 32 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 43.42 43.54 1x4h n LEU 32 CO 0.39 -1.42 0.85 1.23 0.00 0.00 0.00 177.39 178.44 1x4h h GLY 33 N 0.00 0.28 1.85 -3.96 0.00 -1.43 0.49 103.07 100.29 1x4h h GLY 33 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1x4h h GLY 33 CO -0.91 -0.06 0.07 0.83 0.00 0.00 0.00 176.54 176.46 1x4h h GLU 34 N 0.08 0.00 0.03 4.80 4.39 -0.13 0.40 114.58 124.15 1x4h h GLU 34 Ca 0.14 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.57 1x4h h GLU 34 Cb 0.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1x4h h GLU 34 CO -0.24 0.00 -1.47 0.28 -1.16 0.00 0.00 179.01 176.42 1x4h h VAL 35 N 0.00 1.16 -0.00 3.13 2.07 0.10 -3.33 116.25 119.38 1x4h h VAL 35 Ca 0.00 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.59 1x4h h VAL 35 Cb 0.13 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1x4h h VAL 35 CO 0.00 0.71 -0.70 0.18 0.02 0.00 0.00 177.57 177.79 1x4h n LEU 36 N -3.23 1.03 0.06 2.57 4.77 0.04 -4.15 117.00 118.09 1x4h n LEU 36 Ca -0.12 -0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 55.40 1x4h n LEU 36 Cb 1.02 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 42.08 1x4h n LEU 36 CO 0.47 0.23 0.39 1.56 -1.33 0.00 0.00 177.39 178.70 1x4h h GLN 37 N 0.53 0.34 -0.80 3.23 4.20 -0.43 -3.22 115.11 118.95 1x4h h GLN 37 Ca 0.00 -0.27 0.19 0.00 0.06 0.00 0.00 58.65 58.64 1x4h h GLN 37 Cb 0.54 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.25 1x4h h GLN 37 CO 0.00 0.90 0.19 -0.56 -0.67 0.00 0.00 178.83 178.69 1x4h h GLN 38 N 0.23 0.23 -0.45 1.46 3.07 -1.72 0.70 115.11 118.63 1x4h h GLN 38 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.65 1x4h h GLN 38 Cb 1.25 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.74 1x4h h GLN 38 CO 0.11 0.15 0.08 0.74 0.09 0.00 0.00 178.83 180.00 1x4h h PHE 39 N 0.24 0.80 -2.08 0.06 0.04 -1.83 -3.48 116.94 110.69 1x4h h PHE 39 Ca 0.47 -0.11 0.27 0.00 2.80 0.00 0.00 57.97 61.40 1x4h h PHE 39 Cb 0.87 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.73 1x4h h PHE 39 CO -0.28 0.75 0.74 0.20 -0.60 0.00 0.00 178.31 179.12 1x4h s GLY 40 N -3.24 -0.15 0.20 -1.45 0.00 0.24 -4.89 107.32 98.03 1x4h s GLY 40 Ca -0.13 0.12 -0.31 0.00 0.00 0.00 0.00 44.72 44.40 1x4h s GLY 40 CO 0.79 2.44 1.53 0.99 0.00 0.00 0.00 173.10 178.86 1x4h s ASP 41 N -3.35 6.59 -0.20 1.64 1.01 -1.26 -4.10 116.67 117.00 1x4h s ASP 41 Ca 0.21 2.65 -0.14 0.00 0.71 0.00 0.00 52.55 55.98 1x4h s ASP 41 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1x4h s ASP 41 CO 0.01 -0.79 0.32 -0.76 0.21 0.00 0.00 175.17 174.15 1x4h s LEU 42 N 0.59 4.17 -0.01 1.23 1.43 -1.26 -0.91 118.68 123.92 1x4h s LEU 42 Ca 0.66 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.93 1x4h s LEU 42 Cb -0.43 -2.39 -0.19 0.00 0.03 0.00 0.00 46.19 43.21 1x4h s LEU 42 CO 0.36 -0.00 1.30 0.50 0.23 0.00 0.00 176.35 178.74 1x4h h LYS 43 N 7.25 0.06 -2.06 1.70 1.63 -0.30 -3.47 116.57 121.38 1x4h h LYS 43 Ca -0.38 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.37 1x4h h LYS 43 Cb 1.16 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.58 1x4h h LYS 43 CO 0.71 0.50 0.06 1.52 -3.45 0.00 0.00 179.45 178.80 1x4h s TYR 44 N -4.36 -0.85 -0.22 1.91 -0.85 -1.22 -4.99 117.35 106.76 1x4h s TYR 44 Ca -0.16 1.93 0.01 0.00 -0.52 0.00 0.00 57.07 58.33 1x4h s TYR 44 Cb 0.02 0.37 0.05 0.00 0.38 0.00 0.00 41.96 42.79 1x4h s TYR 44 CO 0.69 -0.41 -0.09 0.54 -1.52 0.00 0.00 175.55 174.75 1x4h s VAL 45 N 0.78 1.69 -0.04 -3.49 0.11 -1.26 -1.01 120.40 117.17 1x4h s VAL 45 Ca -0.03 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 57.87 1x4h s VAL 45 Cb -0.05 -1.84 -0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1x4h s VAL 45 CO -0.06 0.04 -0.16 -0.60 -3.33 0.00 0.00 175.10 170.99 1x4h s ARG 46 N 1.35 1.67 -0.27 1.54 6.06 -0.20 -4.96 118.95 124.14 1x4h s ARG 46 Ca -0.04 -0.56 -0.04 0.00 -2.50 0.00 0.00 55.73 52.58 1x4h s ARG 46 Cb -0.18 -1.46 0.02 0.00 0.06 0.00 0.00 34.95 33.39 1x4h s ARG 46 CO -0.07 0.22 0.01 0.54 -2.50 0.00 0.00 175.30 173.50 1x4h s VAL 47 N 0.07 3.42 0.46 7.11 0.11 -1.26 -0.52 120.40 129.79 1x4h s VAL 47 Ca -0.04 -0.87 -0.25 0.00 -2.93 0.00 0.00 61.98 57.90 1x4h s VAL 47 Cb -0.11 -2.76 -0.08 0.00 -1.53 0.00 0.00 36.38 31.90 1x4h s VAL 47 CO 0.02 0.13 1.38 0.55 -3.33 0.00 0.00 175.10 173.85 1x4h n VAL 48 N 4.77 2.92 -4.46 2.04 3.14 -1.21 -4.95 118.33 120.58 1x4h n VAL 48 Ca -0.15 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.49 1x4h n VAL 48 Cb 0.47 -1.75 -0.10 0.00 -1.06 0.00 0.00 33.84 31.41 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 -2.56 2.58 0.37 6.55 1.43 -1.26 -3.27 118.68 122.51 1x4h s LEU 49 Ca 0.63 -1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.43 1x4h s LEU 49 Cb -0.46 -1.07 -0.12 0.00 0.03 0.00 0.00 46.19 44.58 1x4h s LEU 49 CO 0.56 0.03 1.30 1.57 0.23 0.00 0.00 176.35 180.04 1x4h n HIS 50 N -0.56 2.32 0.16 0.29 -0.00 -0.59 -4.85 115.22 111.99 1x4h n HIS 50 Ca -0.06 0.53 0.00 0.00 0.46 0.00 0.00 57.72 58.66 1x4h n HIS 50 Cb 0.60 -2.42 0.26 0.00 -0.12 0.00 0.00 29.99 28.31 1x4h n HIS 50 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x4h h PRO 51 N 2.47 0.01 0.00 1.57 0.13 -1.99 -3.33 132.00 130.86 1x4h h PRO 51 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x4h h PRO 51 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1x4h h PRO 51 CO 0.62 0.50 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.44 1x4h h ASP 52 N 0.01 0.00 -4.79 1.44 3.32 -1.99 -3.49 116.42 110.93 1x4h h ASP 52 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1x4h h ASP 52 Cb 0.87 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.33 1x4h h ASP 52 CO 0.06 0.42 -0.34 1.07 -1.72 0.00 0.00 179.24 178.73 1x4h n THR 53 N -4.31 0.00 -0.41 0.35 5.66 -1.25 -5.02 114.28 109.30 1x4h n THR 53 Ca -0.00 -1.86 -0.12 0.00 -3.05 0.00 0.00 64.05 59.01 1x4h n THR 53 Cb 0.00 0.26 0.05 0.00 -1.55 0.00 0.00 70.33 69.10 1x4h n THR 53 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1x4h n GLU 54 N -1.13 1.60 -2.44 1.09 1.02 -1.26 -3.63 120.64 115.90 1x4h n GLU 54 Ca -0.13 -1.29 -0.43 0.00 -0.02 0.00 0.00 57.16 55.30 1x4h n GLU 54 Cb 0.51 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.46 2.93 -0.48 -0.32 3.76 -1.26 -4.84 115.29 113.63 1x4h s HIS 55 Ca 0.25 1.06 -0.26 0.00 -0.15 0.00 0.00 55.06 55.96 1x4h s HIS 55 Cb 0.20 -3.48 -0.07 0.00 1.11 0.00 0.00 32.58 30.34 1x4h s HIS 55 CO 0.02 -1.59 2.39 -1.12 -0.85 0.00 0.00 174.74 173.58 1x4h s SER 56 N 1.85 4.50 0.68 1.40 0.01 -1.26 -1.55 113.70 119.33 1x4h s SER 56 Ca 0.55 1.11 -0.17 0.00 1.31 0.00 0.00 55.95 58.75 1x4h s SER 56 Cb -0.22 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1x4h s SER 56 CO 0.16 -2.83 1.28 0.29 0.41 0.00 0.00 173.24 172.56 1x4h n LYS 57 N 9.00 0.95 -0.72 12.44 5.02 -1.20 -4.72 118.16 138.92 1x4h n LYS 57 Ca 0.36 0.38 -0.06 0.00 -2.02 0.00 0.00 58.31 56.97 1x4h n LYS 57 Cb 0.54 -2.52 -0.09 0.00 -0.02 0.00 0.00 35.03 32.94 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 0.85 2.62 3.59 0.72 0.00 -1.26 -4.74 105.19 106.96 1x4h n GLY 58 Ca 0.16 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.29 -0.59 -0.06 0.00 0.00 -0.86 -3.29 121.76 116.67 1x4h s ALA 60 Ca -0.04 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1x4h s ALA 60 Cb -0.03 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.48 1x4h s ALA 60 CO 0.03 -0.45 -0.21 -0.06 0.00 0.00 0.00 175.76 175.07 1x4h s PHE 61 N -2.95 2.11 0.28 0.00 0.40 0.32 -0.66 117.98 117.47 1x4h s PHE 61 Ca -0.02 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 1x4h s PHE 61 Cb 0.01 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 1x4h s PHE 61 CO -0.06 -0.23 0.11 0.00 0.70 0.00 0.00 175.22 175.74 1x4h s ALA 62 N 0.05 1.86 -0.01 5.36 0.00 0.67 -1.03 121.76 128.65 1x4h s ALA 62 Ca -0.07 -1.83 -0.02 0.00 0.00 0.00 0.00 51.96 50.04 1x4h s ALA 62 Cb -0.14 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1x4h s ALA 62 CO 0.04 -0.45 0.04 -1.14 0.00 0.00 0.00 175.76 174.25 1x4h s GLN 63 N -3.97 0.09 0.43 0.00 0.74 -0.18 -1.43 119.66 115.34 1x4h s GLN 63 Ca 0.37 -0.00 0.08 0.00 0.05 0.00 0.00 55.36 55.85 1x4h s GLN 63 Cb 0.07 0.04 0.01 0.00 1.10 0.00 0.00 33.01 34.23 1x4h s GLN 63 CO 0.15 -0.01 0.53 -0.06 -0.55 0.00 0.00 175.29 175.35 1x4h s PHE 64 N -0.14 2.70 -0.40 1.67 0.40 -1.25 0.35 117.98 121.31 1x4h s PHE 64 Ca -0.02 -0.44 0.23 0.00 -0.60 0.00 0.00 56.93 56.10 1x4h s PHE 64 Cb -0.01 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.22 1x4h s PHE 64 CO 0.00 -0.39 1.00 -1.33 0.70 0.00 0.00 175.22 175.20 1x4h n MET 65 N -1.80 0.45 -3.87 0.44 2.81 -0.09 -4.34 117.12 110.73 1x4h n MET 65 Ca 0.07 0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.87 1x4h n MET 65 Cb 0.60 -1.68 -0.14 0.00 -0.71 0.00 0.00 33.22 31.29 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 -3.30 0.00 0.19 2.03 -4.23 -1.26 -5.05 115.64 104.03 1x4h s THR 66 Ca 0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.39 1x4h s THR 66 Cb 0.12 -0.01 0.14 0.00 1.34 0.00 0.00 72.50 74.09 1x4h s THR 66 CO 0.80 0.00 1.69 1.56 -0.54 0.00 0.00 174.62 178.13 1x4h h GLN 67 N 6.17 0.15 -0.90 3.99 4.20 -1.91 0.36 115.11 127.17 1x4h h GLN 67 Ca -0.24 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.63 1x4h h GLN 67 Cb 1.21 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.88 1x4h h GLN 67 CO 0.51 0.10 0.58 1.49 -0.67 0.00 0.00 178.83 180.84 1x4h h GLU 68 N 0.15 0.56 0.39 1.46 4.81 -1.99 -2.54 114.58 117.42 1x4h h GLU 68 Ca 0.27 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1x4h h GLU 68 Cb 0.40 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1x4h h GLU 68 CO -0.41 0.37 -0.29 0.00 -0.73 0.00 0.00 179.01 177.95 1x4h h ALA 69 N 1.61 -1.06 -0.84 2.92 0.00 -1.26 0.24 119.26 120.86 1x4h h ALA 69 Ca 0.47 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1x4h h ALA 69 Cb 0.91 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1x4h h ALA 69 CO -0.21 -1.05 0.24 0.00 0.00 0.00 0.00 179.25 178.23 1x4h h ALA 70 N -1.40 1.21 -0.72 0.00 0.00 -1.38 0.36 119.26 117.33 1x4h h ALA 70 Ca -0.05 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1x4h h ALA 70 Cb 0.53 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1x4h h ALA 70 CO 0.02 -0.41 0.33 1.96 0.00 0.00 0.00 179.25 181.15 1x4h h GLN 71 N 0.25 1.04 0.00 0.00 1.08 -1.21 -1.87 115.11 114.40 1x4h h GLN 71 Ca 0.52 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.53 1x4h h GLN 71 Cb 0.99 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1x4h h GLN 71 CO -0.60 0.81 -0.17 0.87 -0.95 0.00 0.00 178.83 178.79 1x4h h LYS 72 N 1.03 0.00 -0.17 1.46 1.57 0.18 -2.51 116.57 118.13 1x4h h LYS 72 Ca 0.25 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.81 1x4h h LYS 72 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1x4h h LYS 72 CO -0.03 0.17 -0.75 0.00 -0.57 0.00 0.00 179.45 178.28 1x4h h LEU 74 N 0.55 -0.20 -1.04 0.00 3.38 -1.12 0.34 115.31 117.22 1x4h h LEU 74 Ca -0.04 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.14 1x4h h LEU 74 Cb 1.37 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1x4h h LEU 74 CO 0.15 -0.15 1.02 0.00 0.09 0.00 0.00 178.44 179.56 1x4h h ALA 75 N -1.89 2.59 0.09 1.53 0.00 -1.65 1.43 119.26 121.36 1x4h h ALA 75 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1x4h h ALA 75 Cb 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1x4h h ALA 75 CO 0.04 -1.39 -1.86 0.00 0.00 0.00 0.00 179.25 176.05 1x4h h ALA 76 N 0.61 0.53 0.00 0.00 0.00 -1.43 -3.34 119.26 115.63 1x4h h ALA 76 Ca 0.33 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1x4h h ALA 76 Cb 2.38 0.59 0.00 0.00 0.00 0.00 0.00 17.79 20.76 1x4h h ALA 76 CO -0.00 1.38 0.00 0.00 0.00 0.00 0.00 179.25 180.63 1x4h n ALA 77 N -2.82 2.04 -2.95 0.00 0.00 0.47 0.97 120.51 118.21 1x4h n ALA 77 Ca -0.25 -0.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.71 1x4h n ALA 77 Cb 1.05 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1x4h n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4h s SER 78 N -3.59 6.35 0.65 0.00 0.15 0.15 -4.01 113.70 113.40 1x4h s SER 78 Ca 0.10 -1.49 0.28 0.00 0.70 0.00 0.00 55.95 55.54 1x4h s SER 78 Cb 0.13 -2.38 1.50 0.00 -1.71 0.00 0.00 66.02 63.57 1x4h s SER 78 CO 0.46 -1.22 1.86 0.17 1.20 0.00 0.00 173.24 175.71 1x4h h LEU 79 N 10.64 0.00 -0.16 3.45 -0.00 -1.81 0.82 115.31 128.25 1x4h h LEU 79 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.65 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 1.13 0.00 -0.30 -0.08 -0.00 0.00 0.00 178.44 179.19 1x4h h GLU 80 N 0.00 0.48 -6.35 0.17 4.22 -1.91 -3.38 114.58 107.81 1x4h h GLU 80 Ca 0.06 -0.31 -0.41 0.00 0.08 0.00 0.00 59.36 58.78 1x4h h GLU 80 Cb 0.87 0.04 0.22 0.00 0.50 0.00 0.00 28.75 30.38 1x4h h GLU 80 CO -0.00 0.91 -1.38 0.00 -2.18 0.00 0.00 179.01 176.36 1x4h n ALA 81 N -2.49 -3.84 -1.62 2.92 0.00 0.28 -4.67 120.51 111.08 1x4h n ALA 81 Ca -0.06 -1.26 -0.37 0.00 0.00 0.00 0.00 53.44 51.75 1x4h n ALA 81 Cb 0.47 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.03 2.28 -0.71 0.00 2.02 -1.26 -3.46 118.70 114.54 1x4h s GLU 82 Ca 0.46 1.39 -0.05 0.00 0.02 0.00 0.00 54.97 56.79 1x4h s GLU 82 Cb -0.04 -4.53 0.01 0.00 0.10 0.00 0.00 34.13 29.66 1x4h s GLU 82 CO 0.59 -3.07 0.65 0.41 0.02 0.00 0.00 175.26 173.86 1x4h n GLY 83 N 5.93 -1.16 0.00 -1.39 0.00 -1.26 -5.01 105.19 102.30 1x4h n GLY 83 Ca 0.34 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.43 5.00 1.31 -0.02 0.00 -1.22 -5.02 105.19 103.81 1x4h n GLY 84 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 2.26 -4.32 3.89 -0.02 0.00 0.27 -4.58 105.19 102.68 1x4h n GLY 85 Ca 0.00 -0.46 -0.26 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 -0.24 4.12 -0.07 0.99 1.02 -1.23 -4.83 118.68 118.44 1x4h s LEU 86 Ca 0.00 0.04 -0.07 0.00 0.02 0.00 0.00 54.13 54.12 1x4h s LEU 86 Cb 0.00 -2.71 0.02 0.00 0.02 0.00 0.00 46.19 43.52 1x4h s LEU 86 CO 0.00 0.05 0.19 -0.54 0.02 0.00 0.00 176.35 176.07 1x4h s LYS 87 N -3.22 0.24 -0.19 1.70 1.02 -1.26 -1.11 119.74 116.92 1x4h s LYS 87 Ca 0.33 0.23 -0.04 0.00 0.02 0.00 0.00 55.97 56.51 1x4h s LYS 87 Cb -0.11 0.12 0.06 0.00 -0.52 0.00 0.00 37.83 37.38 1x4h s LYS 87 CO 0.26 -0.03 0.07 -1.17 -0.92 0.00 0.00 175.35 173.56 1x4h s LEU 88 N 0.02 0.77 -0.71 3.17 2.96 0.63 -4.84 118.68 120.68 1x4h s LEU 88 Ca -0.01 -0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 1x4h s LEU 88 Cb -0.02 -0.42 0.00 0.00 0.50 0.00 0.00 46.19 46.26 1x4h s LEU 88 CO 0.00 -0.34 0.62 -0.67 -1.32 0.00 0.00 176.35 174.65 1x4h n ASP 89 N 5.17 -4.07 -1.38 3.68 2.03 -1.26 -3.02 116.55 117.70 1x4h n ASP 89 Ca -0.08 -0.29 -0.12 0.00 0.52 0.00 0.00 54.79 54.83 1x4h n ASP 89 Cb 0.48 -2.92 -0.00 0.00 -0.72 0.00 0.00 41.12 37.96 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 -1.28 -0.10 2.80 0.27 0.00 -1.26 -5.00 105.19 100.62 1x4h n GLY 90 Ca -0.01 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.65 0.01 0.63 1.61 0.52 -1.17 -5.12 118.95 110.78 1x4h s ARG 91 Ca 0.02 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.50 1x4h s ARG 91 Cb -0.01 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.12 1x4h s ARG 91 CO 0.03 -0.28 1.31 1.04 0.02 0.00 0.00 175.30 177.42 1x4h n GLN 92 N 5.06 1.25 -5.05 3.54 6.02 -1.26 -0.27 117.38 126.67 1x4h n GLN 92 Ca -0.09 0.48 -0.32 0.00 -0.01 0.00 0.00 57.00 57.05 1x4h n GLN 92 Cb 0.50 -2.55 -0.16 0.00 1.02 0.00 0.00 30.24 29.05 1x4h n GLN 92 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x4h s LEU 93 N -4.18 2.28 -0.42 1.08 1.43 -0.27 -4.58 118.68 114.02 1x4h s LEU 93 Ca 0.81 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 53.32 1x4h s LEU 93 Cb -0.39 -1.47 0.08 0.00 0.03 0.00 0.00 46.19 44.44 1x4h s LEU 93 CO 0.42 0.16 0.25 -0.54 0.23 0.00 0.00 176.35 176.87 1x4h s LYS 94 N 0.38 2.56 -0.25 1.70 1.02 -0.84 -4.39 119.74 119.92 1x4h s LYS 94 Ca -0.16 -1.48 -0.10 0.00 0.02 0.00 0.00 55.97 54.25 1x4h s LYS 94 Cb -0.17 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 1x4h s LYS 94 CO 0.07 -0.95 0.17 0.08 -0.92 0.00 0.00 175.35 173.80 1x4h s VAL 95 N 1.40 5.29 0.01 3.17 1.01 -1.25 -0.45 120.40 129.59 1x4h s VAL 95 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1x4h s VAL 95 Cb -0.23 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1x4h s VAL 95 CO 0.02 0.31 -0.04 -0.62 0.00 0.00 0.00 175.10 174.76 1x4h s ASP 96 N 1.32 0.49 -0.52 3.32 2.15 -0.34 -4.64 116.67 118.45 1x4h s ASP 96 Ca 0.07 -0.27 -0.26 0.00 0.43 0.00 0.00 52.55 52.53 1x4h s ASP 96 Cb -0.14 0.00 -0.06 0.00 -0.30 0.00 0.00 42.92 42.42 1x4h s ASP 96 CO 0.07 -0.08 2.30 -0.22 -0.17 0.00 0.00 175.17 177.07 1x4h s LEU 97 N -0.71 3.38 0.00 -1.34 1.98 -1.26 -0.12 118.68 120.61 1x4h s LEU 97 Ca -0.05 0.93 -0.12 0.00 -2.89 0.00 0.00 54.13 52.00 1x4h s LEU 97 Cb -0.05 -2.51 0.21 0.00 0.66 0.00 0.00 46.19 44.50 1x4h s LEU 97 CO -0.00 -2.79 1.26 0.00 -1.89 0.00 0.00 176.35 172.93 1x4h n ALA 98 N 15.32 -1.09 -3.63 5.97 0.00 -1.26 -4.92 120.51 130.90 1x4h n ALA 98 Ca 0.33 -1.82 -0.13 0.00 0.00 0.00 0.00 53.44 51.82 1x4h n ALA 98 Cb 0.54 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.74 0.00 -0.94 0.00 0.11 -1.26 -4.52 120.40 110.04 1x4h s VAL 99 Ca 0.74 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.62 1x4h s VAL 99 Cb -0.02 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.97 1x4h s VAL 99 CO 0.51 0.00 1.10 0.42 -3.33 0.00 0.00 175.10 173.81 1x4h s THR 100 N 0.39 4.88 0.17 5.04 -4.23 -1.26 -5.02 115.64 115.62 1x4h s THR 100 Ca 0.00 -1.80 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 1x4h s THR 100 Cb -0.05 -4.75 -0.06 0.00 1.34 0.00 0.00 72.50 68.98 1x4h s THR 100 CO -0.00 -1.45 0.43 0.00 -0.54 0.00 0.00 174.62 173.06 1x4h s ARG 101 N 2.23 3.67 -0.32 3.99 1.70 -1.26 -5.08 118.95 123.88 1x4h s ARG 101 Ca 0.32 0.02 0.03 0.00 -0.47 0.00 0.00 55.73 55.62 1x4h s ARG 101 Cb -0.05 -2.78 0.09 0.00 -0.57 0.00 0.00 34.95 31.64 1x4h s ARG 101 CO -0.09 0.41 0.04 -0.51 -1.08 0.00 0.00 175.30 174.08 1x4h s ASP 102 N -2.44 4.54 -0.65 -2.89 1.01 -1.26 -5.06 116.67 109.91 1x4h s ASP 102 Ca 0.43 -1.93 -0.27 0.00 0.71 0.00 0.00 52.55 51.49 1x4h s ASP 102 Cb -0.12 -1.44 -0.12 0.00 1.01 0.00 0.00 42.92 42.25 1x4h s ASP 102 CO 0.24 -0.36 2.49 -0.62 0.21 0.00 0.00 175.17 177.12 1x4h n GLU 103 N 4.41 0.72 -3.51 8.23 -0.58 -1.26 -4.82 120.64 123.83 1x4h n GLU 103 Ca 0.00 -0.05 0.01 0.00 -0.42 0.00 0.00 57.16 56.70 1x4h n GLU 103 Cb 0.42 -2.90 -0.05 0.00 -0.57 0.00 0.00 31.44 28.33 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4h s ALA 104 N 11.31 -2.63 -0.02 0.62 0.00 -1.26 -5.18 121.76 124.60 1x4h s ALA 104 Ca 1.08 2.05 -0.29 0.00 0.00 0.00 0.00 51.96 54.81 1x4h s ALA 104 Cb -0.47 -1.95 0.10 0.00 0.00 0.00 0.00 23.12 20.80 1x4h s ALA 104 CO 0.32 -0.59 0.87 0.00 0.00 0.00 0.00 175.76 176.36 1x4h s ALA 105 N 1.67 -1.82 -0.07 0.00 0.00 -1.26 -5.16 121.76 115.12 1x4h s ALA 105 Ca -0.06 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 1x4h s ALA 105 Cb -0.04 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1x4h s ALA 105 CO -0.15 -0.61 0.30 -1.54 0.00 0.00 0.00 175.76 173.76 1x4h s SER 106 N -2.18 6.59 0.02 0.00 1.04 -1.26 -5.09 113.70 112.83 1x4h s SER 106 Ca 0.03 0.71 -0.08 0.00 0.48 0.00 0.00 55.95 57.08 1x4h s SER 106 Cb -0.01 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1x4h s SER 106 CO -0.06 0.30 0.31 -0.83 0.98 0.00 0.00 173.24 173.93 1x4h s GLY 107 N -0.71 2.28 0.19 7.32 0.00 -1.26 -5.06 107.32 110.08 1x4h s GLY 107 Ca 0.19 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 1x4h s GLY 107 CO 0.08 -0.31 1.31 2.56 0.00 0.00 0.00 173.10 176.75 1x4h s PRO 108 N -1.76 4.39 1.17 2.90 0.04 -1.26 -5.02 135.00 135.46 1x4h s PRO 108 Ca 0.29 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.21 1x4h s PRO 108 Cb -0.13 -3.20 0.27 0.00 0.04 0.00 0.00 34.50 31.47 1x4h s PRO 108 CO 0.16 -0.27 1.06 -1.12 0.04 0.00 0.00 177.00 176.87 1x4h s SER 109 N 0.42 1.11 0.32 6.66 0.01 -1.26 -5.08 113.70 115.89 1x4h s SER 109 Ca 0.57 1.02 0.03 0.00 1.31 0.00 0.00 55.95 58.89 1x4h s SER 109 Cb -0.36 -1.54 -0.06 0.00 0.21 0.00 0.00 66.02 64.27 1x4h s SER 109 CO 0.37 -4.05 0.07 -0.94 0.41 0.00 0.00 173.24 169.10 1x4h s SER 110 N -3.34 2.23 0.00 2.44 1.04 -1.26 -5.35 113.70 109.47 1x4h s SER 110 Ca 0.68 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1x4h s SER 110 Cb -0.17 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1x4h s SER 110 CO 0.59 -0.64 0.23 0.61 0.98 0.00 0.00 173.24 175.01