#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 -0.06 -0.25 1.61 0.15 -1.26 -5.13 113.70 108.75 1x4h s SER 2 Ca 0.00 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 1x4h s SER 2 Cb 0.00 0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.53 1x4h s SER 2 CO 0.00 -0.04 0.02 -0.55 1.20 0.00 0.00 173.24 173.87 1x4h s SER 3 N -0.03 3.68 0.00 5.45 0.15 -1.26 -4.91 113.70 116.78 1x4h s SER 3 Ca -0.01 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.38 1x4h s SER 3 Cb -0.01 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1x4h s SER 3 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1x4h n GLY 4 N 4.81 0.15 3.00 9.45 0.00 -1.26 -5.08 105.19 116.26 1x4h n GLY 4 Ca -0.07 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1x4h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4h s SER 5 N -0.95 4.57 -0.30 1.61 0.15 -1.26 -5.05 113.70 112.47 1x4h s SER 5 Ca 0.00 -1.88 -0.09 0.00 0.70 0.00 0.00 55.95 54.68 1x4h s SER 5 Cb 0.00 -1.51 0.18 0.00 -1.71 0.00 0.00 66.02 62.98 1x4h s SER 5 CO 0.00 -0.33 0.86 -0.55 1.20 0.00 0.00 173.24 174.42 1x4h s SER 6 N 1.04 -0.84 -0.55 5.45 0.15 -1.26 -5.11 113.70 112.58 1x4h s SER 6 Ca 0.05 0.64 0.04 0.00 0.70 0.00 0.00 55.95 57.38 1x4h s SER 6 Cb -0.19 1.75 0.15 0.00 -1.71 0.00 0.00 66.02 66.02 1x4h s SER 6 CO -0.09 -0.16 0.35 -0.83 1.20 0.00 0.00 173.24 173.72 1x4h s GLY 7 N 2.84 2.28 0.48 9.45 0.00 -1.26 -5.10 107.32 116.02 1x4h s GLY 7 Ca 0.06 -3.21 -0.22 0.00 0.00 0.00 0.00 44.72 41.35 1x4h s GLY 7 CO -0.16 1.31 1.17 0.48 0.00 0.00 0.00 173.10 175.90 1x4h s LEU 8 N -0.52 3.94 0.52 0.66 0.05 -1.26 -5.00 118.68 117.08 1x4h s LEU 8 Ca 0.22 2.31 -0.20 0.00 0.05 0.00 0.00 54.13 56.51 1x4h s LEU 8 Cb -0.14 -4.32 -0.06 0.00 -2.05 0.00 0.00 46.19 39.62 1x4h s LEU 8 CO -0.08 -1.03 1.14 -2.16 -0.55 0.00 0.00 176.35 173.66 1x4h s PRO 9 N -2.84 3.47 0.03 1.48 0.04 -1.26 -5.01 135.00 130.91 1x4h s PRO 9 Ca 0.66 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 1x4h s PRO 9 Cb -0.28 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1x4h s PRO 9 CO 0.34 -0.76 0.69 -1.12 0.04 0.00 0.00 177.00 176.18 1x4h s SER 10 N -1.66 7.11 -0.25 6.66 0.01 -1.26 -5.05 113.70 119.27 1x4h s SER 10 Ca 0.70 1.33 -0.27 0.00 1.31 0.00 0.00 55.95 59.02 1x4h s SER 10 Cb -0.25 -2.42 0.15 0.00 0.21 0.00 0.00 66.02 63.70 1x4h s SER 10 CO 0.29 0.06 1.16 -0.62 0.41 0.00 0.00 173.24 174.54 1x4h s ASP 11 N -0.16 -0.28 -0.10 2.44 2.15 -1.26 -5.14 116.67 114.31 1x4h s ASP 11 Ca 0.35 0.46 -0.29 0.00 0.43 0.00 0.00 52.55 53.50 1x4h s ASP 11 Cb -0.20 0.43 -0.01 0.00 -0.30 0.00 0.00 42.92 42.84 1x4h s ASP 11 CO 0.20 -0.16 0.99 0.68 -0.17 0.00 0.00 175.17 176.71 1x4h s VAL 12 N -0.36 4.80 -0.23 1.11 -7.23 -1.26 -5.01 120.40 112.22 1x4h s VAL 12 Ca 0.03 2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 61.95 1x4h s VAL 12 Cb -0.03 -4.30 0.12 0.00 0.56 0.00 0.00 36.38 32.73 1x4h s VAL 12 CO -0.06 0.03 1.00 0.28 -0.31 0.00 0.00 175.10 176.03 1x4h s THR 13 N 1.88 0.00 -0.73 5.32 -1.32 -1.26 -5.09 115.64 114.44 1x4h s THR 13 Ca 0.48 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.70 1x4h s THR 13 Cb -0.18 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.69 1x4h s THR 13 CO 0.19 0.00 2.39 -1.61 -2.21 0.00 0.00 174.62 173.38 1x4h s GLU 14 N -0.24 1.73 -0.33 7.08 8.01 -1.26 -4.74 118.70 128.96 1x4h s GLU 14 Ca 0.01 0.66 0.09 0.00 0.01 0.00 0.00 54.97 55.73 1x4h s GLU 14 Cb -0.03 -4.75 0.45 0.00 -4.31 0.00 0.00 34.13 25.49 1x4h s GLU 14 CO -0.03 -4.17 1.14 0.41 0.01 0.00 0.00 175.26 172.62 1x4h n GLY 15 N 6.64 5.49 3.08 -1.39 0.00 -1.26 -5.01 105.19 112.75 1x4h n GLY 15 Ca 0.44 -2.44 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.58 2.68 0.09 1.61 1.02 -1.26 -4.91 119.74 115.40 1x4h s LYS 16 Ca 0.46 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 1x4h s LYS 16 Cb 0.40 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1x4h s LYS 16 CO -0.03 -0.28 0.02 0.99 -0.92 0.00 0.00 175.35 175.13 1x4h s THR 17 N 1.32 0.16 -0.28 2.17 2.01 -1.26 -4.03 115.64 115.72 1x4h s THR 17 Ca 0.03 -1.85 -0.08 0.00 0.31 0.00 0.00 61.69 60.10 1x4h s THR 17 Cb -0.14 -1.78 0.13 0.00 0.01 0.00 0.00 72.50 70.71 1x4h s THR 17 CO -0.11 -0.72 0.59 0.68 -0.69 0.00 0.00 174.62 174.37 1x4h s VAL 18 N -3.98 -0.92 -0.18 3.82 -7.23 -0.78 -4.08 120.40 107.05 1x4h s VAL 18 Ca 0.16 0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1x4h s VAL 18 Cb 0.08 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 1x4h s VAL 18 CO -0.04 0.01 -0.06 0.12 -0.31 0.00 0.00 175.10 174.82 1x4h s PHE 19 N 2.83 2.94 -0.15 2.82 5.36 0.92 -0.28 117.98 132.41 1x4h s PHE 19 Ca -0.01 -0.71 -0.10 0.00 -0.96 0.00 0.00 56.93 55.15 1x4h s PHE 19 Cb -0.12 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 1x4h s PHE 19 CO -0.18 -0.34 0.18 0.42 -1.46 0.00 0.00 175.22 173.84 1x4h s ILE 20 N 0.94 5.41 0.14 3.12 1.09 -0.04 -1.03 121.20 130.82 1x4h s ILE 20 Ca -0.01 0.30 0.11 0.00 -1.10 0.00 0.00 60.65 59.95 1x4h s ILE 20 Cb -0.15 -3.48 -0.04 0.00 -1.06 0.00 0.00 42.46 37.73 1x4h s ILE 20 CO 0.01 0.51 -0.26 -0.13 -0.10 0.00 0.00 174.94 174.96 1x4h s ARG 21 N -0.25 1.42 -0.42 2.79 0.52 0.64 -2.33 118.95 121.32 1x4h s ARG 21 Ca 0.13 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1x4h s ARG 21 Cb -0.12 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 1x4h s ARG 21 CO 0.02 0.44 0.35 -1.71 0.02 0.00 0.00 175.30 174.42 1x4h n ASN 22 N 0.79 -2.60 -4.90 0.23 5.15 -0.81 -1.36 115.26 111.76 1x4h n ASN 22 Ca -0.17 -0.24 -0.30 0.00 -0.60 0.00 0.00 54.58 53.27 1x4h n ASN 22 Cb 0.54 -2.19 -0.04 0.00 -0.53 0.00 0.00 39.78 37.56 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 -3.68 4.20 0.12 1.20 1.43 0.47 -4.54 118.68 117.88 1x4h s LEU 23 Ca 0.06 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 1x4h s LEU 23 Cb -0.01 -3.37 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 1x4h s LEU 23 CO 0.27 -0.04 0.48 -0.55 0.23 0.00 0.00 176.35 176.74 1x4h s SER 24 N -2.73 6.73 0.28 2.29 0.15 -1.26 -4.50 113.70 114.66 1x4h s SER 24 Ca 0.42 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1x4h s SER 24 Cb -0.11 -2.23 0.51 0.00 -1.71 0.00 0.00 66.02 62.47 1x4h s SER 24 CO 0.26 0.13 1.85 -0.26 1.20 0.00 0.00 173.24 176.42 1x4h h PHE 25 N 3.60 1.16 -0.75 3.44 0.04 -1.98 -0.68 116.94 121.76 1x4h h PHE 25 Ca -0.49 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.32 1x4h h PHE 25 Cb 1.19 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 1x4h h PHE 25 CO 0.66 0.50 0.50 0.38 -0.60 0.00 0.00 178.31 179.74 1x4h h ASP 26 N 1.04 0.87 -2.08 2.17 3.04 -1.97 -3.44 116.42 116.05 1x4h h ASP 26 Ca 0.48 -0.02 -0.63 0.00 -3.24 0.00 0.00 57.03 53.62 1x4h h ASP 26 Cb 0.40 -0.22 0.11 0.00 -1.04 0.00 0.00 39.33 38.58 1x4h h ASP 26 CO -0.24 0.63 0.01 -0.24 -2.04 0.00 0.00 179.24 177.36 1x4h n SER 27 N -4.42 0.76 -4.31 4.15 2.88 -0.26 -4.98 113.62 107.44 1x4h n SER 27 Ca 0.08 1.16 -0.30 0.00 -1.33 0.00 0.00 58.87 58.49 1x4h n SER 27 Cb 0.03 -1.21 -0.15 0.00 -0.75 0.00 0.00 64.21 62.13 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 -1.27 1.91 0.43 -1.46 2.02 -1.26 -4.95 118.70 114.11 1x4h s GLU 28 Ca 0.62 -0.98 0.36 0.00 0.02 0.00 0.00 54.97 54.99 1x4h s GLU 28 Cb -0.77 -1.94 1.40 0.00 0.10 0.00 0.00 34.13 32.91 1x4h s GLU 28 CO 0.58 0.52 1.35 -1.91 0.02 0.00 0.00 175.26 175.82 1x4h n GLU 29 N 2.17 -0.02 0.11 1.61 2.13 -1.26 -0.26 120.64 125.13 1x4h n GLU 29 Ca -0.16 1.01 -0.05 0.00 0.66 0.00 0.00 57.16 58.62 1x4h n GLU 29 Cb 0.52 -2.15 -0.02 0.00 0.27 0.00 0.00 31.44 30.05 1x4h n GLU 29 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1x4h h GLU 30 N 0.00 -0.32 -1.03 5.31 5.08 -1.94 -2.22 114.58 119.46 1x4h h GLU 30 Ca 0.79 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 59.45 1x4h h GLU 30 Cb 2.86 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 32.12 1x4h h GLU 30 CO -0.21 -0.21 0.71 0.00 -1.00 0.00 0.00 179.01 178.30 1x4h h ALA 31 N -1.42 2.68 0.09 3.43 0.00 -1.03 0.12 119.26 123.13 1x4h h ALA 31 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x4h h ALA 31 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x4h h ALA 31 CO 0.06 -1.01 -0.04 1.25 0.00 0.00 0.00 179.25 179.50 1x4h h LEU 32 N 0.17 -0.10 -0.34 0.00 6.46 -1.02 -3.13 115.31 117.35 1x4h h LEU 32 Ca 0.53 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1x4h h LEU 32 Cb 1.77 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.71 1x4h h LEU 32 CO -0.12 0.41 0.16 1.23 -0.62 0.00 0.00 178.44 179.50 1x4h h GLY 33 N -0.65 0.53 1.10 3.75 0.00 -0.48 -2.19 103.07 105.14 1x4h h GLY 33 Ca -0.01 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.12 1x4h h GLY 33 CO 0.02 0.26 0.38 0.83 0.00 0.00 0.00 176.54 178.02 1x4h h GLU 34 N 0.41 0.00 0.17 4.80 5.08 -0.92 0.35 114.58 124.48 1x4h h GLU 34 Ca 0.12 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.18 1x4h h GLU 34 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 1x4h h GLU 34 CO -0.01 0.00 -1.28 0.28 -1.00 0.00 0.00 179.01 177.00 1x4h h VAL 35 N 0.00 1.31 0.00 3.13 2.07 -1.33 -3.30 116.25 118.13 1x4h h VAL 35 Ca 0.12 -2.55 -0.17 0.00 0.82 0.00 0.00 66.70 64.93 1x4h h VAL 35 Cb 0.87 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 1x4h h VAL 35 CO -0.00 0.76 -0.79 -0.07 0.02 0.00 0.00 177.57 177.49 1x4h h LEU 36 N 0.15 0.00 -1.26 2.57 3.38 -0.72 -3.25 115.31 116.18 1x4h h LEU 36 Ca -0.21 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1x4h h LEU 36 Cb 1.97 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.67 1x4h h LEU 36 CO 0.24 0.79 0.53 1.56 0.09 0.00 0.00 178.44 181.66 1x4h h GLN 37 N 0.00 0.89 -1.35 1.13 4.20 -0.51 -1.75 115.11 117.72 1x4h h GLN 37 Ca -0.01 -0.05 0.41 0.00 0.06 0.00 0.00 58.65 59.06 1x4h h GLN 37 Cb 1.54 -0.20 -0.10 0.00 0.30 0.00 0.00 27.48 29.02 1x4h h GLN 37 CO 0.10 0.59 0.91 -0.56 -0.67 0.00 0.00 178.83 179.20 1x4h h GLN 38 N 0.91 0.11 0.00 1.46 3.07 -1.63 -0.16 115.11 118.87 1x4h h GLN 38 Ca 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 59.07 1x4h h GLN 38 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.73 1x4h h GLN 38 CO -0.12 0.07 -0.05 0.74 0.09 0.00 0.00 178.83 179.56 1x4h h PHE 39 N 0.11 0.00 -2.74 0.06 0.04 -1.54 -3.49 116.94 109.37 1x4h h PHE 39 Ca 0.75 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.56 1x4h h PHE 39 Cb 2.51 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 40.55 1x4h h PHE 39 CO -0.00 0.66 0.31 0.20 -0.60 0.00 0.00 178.31 178.88 1x4h s GLY 40 N -4.02 -0.46 0.15 -1.45 0.00 -0.07 -4.97 107.32 96.49 1x4h s GLY 40 Ca -0.13 0.48 -0.34 0.00 0.00 0.00 0.00 44.72 44.73 1x4h s GLY 40 CO 0.45 0.16 1.43 1.22 0.00 0.00 0.00 173.10 176.35 1x4h n ASP 41 N -0.36 2.38 -4.73 1.64 9.92 -1.26 -4.15 116.55 119.99 1x4h n ASP 41 Ca -0.12 1.11 -0.37 0.00 -0.53 0.00 0.00 54.79 54.89 1x4h n ASP 41 Cb 0.63 -1.33 -0.07 0.00 -0.64 0.00 0.00 41.12 39.71 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 0.62 4.25 0.05 0.64 1.43 -1.26 -2.11 118.68 122.29 1x4h s LEU 42 Ca 0.78 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 1x4h s LEU 42 Cb -0.78 -2.42 -0.16 0.00 0.03 0.00 0.00 46.19 42.85 1x4h s LEU 42 CO 0.44 0.08 1.26 0.50 0.23 0.00 0.00 176.35 178.87 1x4h h LYS 43 N 6.68 0.52 -1.81 1.70 1.63 -0.26 -3.47 116.57 121.55 1x4h h LYS 43 Ca -0.41 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.01 1x4h h LYS 43 Cb 1.17 0.07 -0.22 0.00 -0.60 0.00 0.00 32.23 32.65 1x4h h LYS 43 CO 0.76 1.00 0.32 1.52 -3.45 0.00 0.00 179.45 179.60 1x4h s TYR 44 N -3.83 -0.57 -0.23 1.91 -0.85 -1.21 -4.99 117.35 107.58 1x4h s TYR 44 Ca -0.13 1.16 -0.02 0.00 -0.52 0.00 0.00 57.07 57.56 1x4h s TYR 44 Cb 0.06 0.38 0.07 0.00 0.38 0.00 0.00 41.96 42.85 1x4h s TYR 44 CO 0.82 -0.42 0.04 0.54 -1.52 0.00 0.00 175.55 175.00 1x4h s VAL 45 N -0.61 0.69 -0.06 -3.49 0.11 -1.26 -1.47 120.40 114.31 1x4h s VAL 45 Ca -0.04 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.25 1x4h s VAL 45 Cb -0.02 -1.25 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1x4h s VAL 45 CO 0.03 -0.31 -0.24 -0.60 -3.33 0.00 0.00 175.10 170.64 1x4h s ARG 46 N 1.76 2.63 -0.20 1.54 3.52 -0.42 -4.97 118.95 122.81 1x4h s ARG 46 Ca 0.01 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.71 1x4h s ARG 46 Cb -0.17 -2.19 0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1x4h s ARG 46 CO -0.12 0.36 -0.14 0.54 -0.81 0.00 0.00 175.30 175.13 1x4h s VAL 47 N -0.10 2.52 0.10 7.11 0.11 -1.26 -0.49 120.40 128.39 1x4h s VAL 47 Ca -0.05 -0.87 -0.31 0.00 -2.93 0.00 0.00 61.98 57.82 1x4h s VAL 47 Cb -0.14 -2.14 -0.08 0.00 -1.53 0.00 0.00 36.38 32.49 1x4h s VAL 47 CO 0.04 0.44 1.40 0.54 -3.33 0.00 0.00 175.10 174.19 1x4h s VAL 48 N 1.34 3.34 0.28 2.04 0.11 -1.19 -5.00 120.40 121.31 1x4h s VAL 48 Ca 0.04 0.94 0.09 0.00 -2.93 0.00 0.00 61.98 60.11 1x4h s VAL 48 Cb -0.14 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1x4h s VAL 48 CO -0.09 0.06 0.07 -0.76 -3.33 0.00 0.00 175.10 171.05 1x4h s LEU 49 N 1.28 3.32 0.40 2.54 1.43 -1.26 -2.74 118.68 123.66 1x4h s LEU 49 Ca 0.65 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 1x4h s LEU 49 Cb -0.36 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 1x4h s LEU 49 CO 0.30 -0.08 1.38 1.57 0.23 0.00 0.00 176.35 179.76 1x4h n HIS 50 N -1.01 2.57 -0.12 0.29 -0.00 -0.95 -4.67 115.22 111.33 1x4h n HIS 50 Ca -0.06 0.48 -0.13 0.00 0.46 0.00 0.00 57.72 58.47 1x4h n HIS 50 Cb 0.59 -2.45 -0.01 0.00 -0.12 0.00 0.00 29.99 28.00 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 0.93 0.16 1.57 0.13 -1.99 -3.32 132.00 131.95 1x4h h PRO 51 Ca -0.49 -0.49 -0.01 0.00 -0.87 0.00 0.00 66.00 64.14 1x4h h PRO 51 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1x4h h PRO 51 CO 0.62 1.14 -0.08 0.22 -0.23 0.00 0.00 178.00 179.67 1x4h h ASP 52 N 0.76 -0.18 -1.19 1.44 3.58 -1.99 -3.48 116.42 115.37 1x4h h ASP 52 Ca 0.06 -0.36 -0.65 0.00 0.42 0.00 0.00 57.03 56.51 1x4h h ASP 52 Cb 0.97 0.05 -0.13 0.00 1.72 0.00 0.00 39.33 41.94 1x4h h ASP 52 CO 0.09 0.37 -0.51 0.28 -2.88 0.00 0.00 179.24 176.60 1x4h s THR 53 N -3.43 0.93 -0.47 2.25 -1.32 -1.25 -5.04 115.64 107.32 1x4h s THR 53 Ca -0.13 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.32 1x4h s THR 53 Cb 0.00 -2.17 0.12 0.00 -1.51 0.00 0.00 72.50 68.94 1x4h s THR 53 CO 0.48 0.00 2.57 1.21 -2.21 0.00 0.00 174.62 176.67 1x4h n GLU 54 N -1.17 2.34 -3.49 7.08 4.07 -1.26 -3.43 120.64 124.78 1x4h n GLU 54 Ca -0.16 -2.33 -0.42 0.00 -0.06 0.00 0.00 57.16 54.19 1x4h n GLU 54 Cb 0.66 -2.07 -0.08 0.00 -0.06 0.00 0.00 31.44 29.89 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 -1.97 3.34 -0.45 4.31 3.76 -1.26 -4.85 115.29 118.17 1x4h s HIS 55 Ca 0.54 -1.53 -0.33 0.00 -0.15 0.00 0.00 55.06 53.58 1x4h s HIS 55 Cb 0.37 -3.40 -0.15 0.00 1.11 0.00 0.00 32.58 30.51 1x4h s HIS 55 CO -0.19 -0.94 1.75 0.43 -0.85 0.00 0.00 174.74 174.93 1x4h n SER 56 N 5.03 0.55 -0.55 1.40 7.64 -1.26 -2.25 113.62 124.17 1x4h n SER 56 Ca -0.10 0.49 0.45 0.00 1.01 0.00 0.00 58.87 60.71 1x4h n SER 56 Cb 0.41 -0.71 0.73 0.00 -1.01 0.00 0.00 64.21 63.63 1x4h n SER 56 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x4h n LYS 57 N 6.02 -0.03 0.00 1.43 5.02 -1.11 -4.67 118.16 124.83 1x4h n LYS 57 Ca 0.45 1.21 0.00 0.00 -2.02 0.00 0.00 58.31 57.94 1x4h n LYS 57 Cb -0.02 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 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 -1.65 1.79 3.47 0.72 0.00 -1.26 -4.97 105.19 103.29 1x4h n GLY 58 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.82 -1.35 -0.07 0.00 0.00 -0.98 -3.17 121.76 112.36 1x4h s ALA 60 Ca 0.05 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1x4h s ALA 60 Cb -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1x4h s ALA 60 CO -0.08 -0.44 -0.15 -0.06 0.00 0.00 0.00 175.76 175.03 1x4h s PHE 61 N -2.02 2.71 0.34 0.00 0.40 0.36 -0.86 117.98 118.90 1x4h s PHE 61 Ca -0.08 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1x4h s PHE 61 Cb -0.01 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1x4h s PHE 61 CO 0.02 0.03 0.13 0.00 0.70 0.00 0.00 175.22 176.10 1x4h s ALA 62 N -0.36 2.30 -0.08 5.36 0.00 0.61 -1.30 121.76 128.30 1x4h s ALA 62 Ca 0.03 -1.66 -0.06 0.00 0.00 0.00 0.00 51.96 50.27 1x4h s ALA 62 Cb -0.12 0.93 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1x4h s ALA 62 CO 0.02 -0.42 0.20 -1.14 0.00 0.00 0.00 175.76 174.43 1x4h s GLN 63 N -3.81 0.21 0.35 0.00 0.74 -0.54 -1.86 119.66 114.75 1x4h s GLN 63 Ca 0.32 0.33 0.05 0.00 0.05 0.00 0.00 55.36 56.11 1x4h s GLN 63 Cb 0.05 0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.19 1x4h s GLN 63 CO 0.16 -0.07 0.51 -0.06 -0.55 0.00 0.00 175.29 175.28 1x4h s PHE 64 N 0.42 3.16 -0.31 1.67 0.40 -1.26 0.43 117.98 122.49 1x4h s PHE 64 Ca -0.03 -0.10 0.22 0.00 -0.60 0.00 0.00 56.93 56.42 1x4h s PHE 64 Cb -0.04 -2.04 0.14 0.00 0.51 0.00 0.00 43.02 41.60 1x4h s PHE 64 CO -0.02 -0.06 1.30 0.52 0.70 0.00 0.00 175.22 177.66 1x4h h MET 65 N 0.80 0.00 -3.53 0.44 2.86 -1.77 -3.41 114.93 110.32 1x4h h MET 65 Ca -0.46 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 56.90 1x4h h MET 65 Cb 1.25 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.59 1x4h h MET 65 CO 0.54 0.04 -0.71 0.95 1.06 0.00 0.00 176.91 178.79 1x4h s THR 66 N -3.26 -0.05 0.23 2.22 -4.23 -1.26 -5.05 115.64 104.25 1x4h s THR 66 Ca 0.03 0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 1x4h s THR 66 Cb 0.07 -0.09 0.27 0.00 1.34 0.00 0.00 72.50 74.10 1x4h s THR 66 CO 0.74 0.07 1.58 1.56 -0.54 0.00 0.00 174.62 178.03 1x4h h GLN 67 N 7.03 -0.04 -0.99 3.99 4.20 -1.90 0.48 115.11 127.88 1x4h h GLN 67 Ca -0.41 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.60 1x4h h GLN 67 Cb 1.14 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.79 1x4h h GLN 67 CO 0.48 -0.03 0.53 1.49 -0.67 0.00 0.00 178.83 180.63 1x4h h GLU 68 N -0.04 0.36 0.69 1.46 4.81 -1.99 -0.91 114.58 118.96 1x4h h GLU 68 Ca 0.34 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1x4h h GLU 68 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1x4h h GLU 68 CO -0.83 0.24 -0.48 0.00 -0.73 0.00 0.00 179.01 177.21 1x4h h ALA 69 N 1.81 -1.19 -0.86 2.92 0.00 -0.42 -1.33 119.26 120.19 1x4h h ALA 69 Ca 0.69 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.60 1x4h h ALA 69 Cb 1.49 0.63 -0.15 0.00 0.00 0.00 0.00 17.79 19.76 1x4h h ALA 69 CO -0.58 -1.19 0.11 0.00 0.00 0.00 0.00 179.25 177.59 1x4h h ALA 70 N -1.00 1.09 -0.31 0.00 0.00 -1.08 0.20 119.26 118.16 1x4h h ALA 70 Ca -0.09 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x4h h ALA 70 Cb 0.92 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1x4h h ALA 70 CO 0.05 -0.48 0.17 1.96 0.00 0.00 0.00 179.25 180.96 1x4h h GLN 71 N 0.13 0.44 -0.07 0.00 1.08 -1.16 -1.83 115.11 113.70 1x4h h GLN 71 Ca 0.52 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.69 1x4h h GLN 71 Cb 1.01 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1x4h h GLN 71 CO -0.72 0.37 0.09 0.87 -0.95 0.00 0.00 178.83 178.49 1x4h h LYS 72 N 0.39 0.00 0.03 1.46 1.57 0.52 -0.08 116.57 120.46 1x4h h LYS 72 Ca 0.11 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 1x4h h LYS 72 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1x4h h LYS 72 CO -0.02 0.00 -1.03 0.00 -0.57 0.00 0.00 179.45 177.83 1x4h h LEU 74 N 0.03 -0.19 -1.79 0.00 3.38 -0.60 -1.21 115.31 114.94 1x4h h LEU 74 Ca -0.04 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.31 1x4h h LEU 74 Cb 1.76 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 1x4h h LEU 74 CO 0.15 0.12 1.07 0.00 0.09 0.00 0.00 178.44 179.86 1x4h h ALA 75 N -1.39 3.21 0.11 1.53 0.00 -1.52 0.93 119.26 122.13 1x4h h ALA 75 Ca -0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 1x4h h ALA 75 Cb 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x4h h ALA 75 CO 0.04 -1.74 -1.69 0.00 0.00 0.00 0.00 179.25 175.85 1x4h h ALA 76 N 1.10 0.39 -0.37 0.00 0.00 -1.60 -3.35 119.26 115.41 1x4h h ALA 76 Ca 0.62 -1.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1x4h h ALA 76 Cb 2.75 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 20.96 1x4h h ALA 76 CO -0.01 1.25 -0.27 0.00 0.00 0.00 0.00 179.25 180.22 1x4h h ALA 77 N 0.44 0.82 -2.10 0.00 0.00 0.20 -3.13 119.26 115.50 1x4h h ALA 77 Ca -0.30 -0.39 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 1x4h h ALA 77 Cb 2.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1x4h h ALA 77 CO 0.13 0.64 1.38 0.45 0.00 0.00 0.00 179.25 181.85 1x4h s SER 78 N -6.78 5.85 0.02 0.00 0.15 0.42 -3.53 113.70 109.84 1x4h s SER 78 Ca -0.09 2.10 0.18 0.00 0.70 0.00 0.00 55.95 58.84 1x4h s SER 78 Cb 0.13 -2.52 0.77 0.00 -1.71 0.00 0.00 66.02 62.69 1x4h s SER 78 CO 0.84 -1.62 1.58 0.00 1.20 0.00 0.00 173.24 175.24 1x4h n LEU 79 N 10.11 0.06 -0.08 3.45 -0.00 -1.26 -3.39 117.00 125.89 1x4h n LEU 79 Ca 0.26 0.51 -0.11 0.00 -0.00 0.00 0.00 56.01 56.67 1x4h n LEU 79 Cb 0.44 -0.50 -0.06 0.00 -0.00 0.00 0.00 43.42 43.29 1x4h n LEU 79 CO 0.67 -0.22 -0.24 -0.33 -0.00 0.00 0.00 177.39 177.26 1x4h h GLU 80 N 0.00 0.00 -3.89 1.47 4.39 -1.88 -3.41 114.58 111.26 1x4h h GLU 80 Ca 0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 1x4h h GLU 80 Cb 0.32 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.06 1x4h h GLU 80 CO 0.00 0.47 -0.53 0.00 -1.16 0.00 0.00 179.01 177.80 1x4h n ALA 81 N -3.27 -2.35 -1.50 3.43 0.00 -1.22 -4.47 120.51 111.13 1x4h n ALA 81 Ca -0.15 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1x4h n ALA 81 Cb 0.39 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 1x4h n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x4h n GLU 82 N 0.80 0.61 0.00 0.00 0.00 -1.26 -3.56 120.64 117.22 1x4h n GLU 82 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1x4h n GLU 82 Cb 0.23 -2.43 0.00 0.00 0.00 0.00 0.00 31.44 29.24 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x4h n GLY 83 N 6.35 0.48 0.00 -1.84 0.00 -1.26 -5.12 105.19 103.80 1x4h n GLY 83 Ca 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 1.03 3.22 -0.02 0.00 -1.23 -5.05 105.19 103.14 1x4h n GLY 84 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1x4h n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4h s GLY 85 N -2.04 1.07 0.25 -0.02 0.00 -1.25 -4.04 107.32 101.29 1x4h s GLY 85 Ca 0.00 -1.51 -0.17 0.00 0.00 0.00 0.00 44.72 43.04 1x4h s GLY 85 CO 0.00 -1.52 0.71 1.08 0.00 0.00 0.00 173.10 173.37 1x4h s LEU 86 N -3.14 4.23 -0.08 0.66 1.02 -1.18 -4.94 118.68 115.26 1x4h s LEU 86 Ca 0.19 1.32 -0.09 0.00 0.02 0.00 0.00 54.13 55.57 1x4h s LEU 86 Cb 0.05 -3.75 0.02 0.00 0.02 0.00 0.00 46.19 42.54 1x4h s LEU 86 CO 0.01 -0.05 0.24 -0.54 0.02 0.00 0.00 176.35 176.02 1x4h s LYS 87 N -2.38 0.33 -0.36 1.70 1.02 -1.26 -2.28 119.74 116.50 1x4h s LYS 87 Ca 0.47 0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.74 1x4h s LYS 87 Cb -0.14 0.15 0.10 0.00 -0.52 0.00 0.00 37.83 37.43 1x4h s LYS 87 CO 0.19 -0.05 0.08 -1.17 -0.92 0.00 0.00 175.35 173.49 1x4h s LEU 88 N -0.09 4.43 -0.60 3.17 2.96 -0.17 -4.75 118.68 123.62 1x4h s LEU 88 Ca -0.02 -2.21 -0.00 0.00 -0.22 0.00 0.00 54.13 51.67 1x4h s LEU 88 Cb -0.02 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1x4h s LEU 88 CO 0.01 -0.36 0.50 0.47 -1.32 0.00 0.00 176.35 175.65 1x4h n ASP 89 N 4.17 -2.20 -1.82 3.68 8.00 -1.26 -3.38 116.55 123.73 1x4h n ASP 89 Ca 0.04 -0.30 -0.14 0.00 0.71 0.00 0.00 54.79 55.09 1x4h n ASP 89 Cb 0.41 -2.79 0.01 0.00 -0.02 0.00 0.00 41.12 38.72 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 -1.08 -0.14 2.84 0.44 0.00 -1.26 -5.01 105.19 100.98 1x4h n GLY 90 Ca -0.13 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -5.02 1.05 -0.18 1.61 1.81 -1.22 -5.11 118.95 111.90 1x4h s ARG 91 Ca 0.11 -0.07 -0.29 0.00 -1.72 0.00 0.00 55.73 53.76 1x4h s ARG 91 Cb -0.05 -1.26 -0.03 0.00 -0.45 0.00 0.00 34.95 33.17 1x4h s ARG 91 CO 0.14 -0.28 1.48 -1.14 -0.68 0.00 0.00 175.30 174.82 1x4h s GLN 92 N 1.81 4.02 -0.18 3.54 -0.44 -1.26 -1.00 119.66 126.15 1x4h s GLN 92 Ca 0.04 1.72 -0.21 0.00 -2.50 0.00 0.00 55.36 54.42 1x4h s GLN 92 Cb -0.12 -3.93 -0.03 0.00 -1.64 0.00 0.00 33.01 27.29 1x4h s GLN 92 CO -0.06 -1.00 0.64 -0.51 0.50 0.00 0.00 175.29 174.85 1x4h s LEU 93 N 4.34 4.17 -0.50 3.68 1.43 -0.97 -4.61 118.68 126.23 1x4h s LEU 93 Ca 0.65 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.49 1x4h s LEU 93 Cb -0.25 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.16 1x4h s LEU 93 CO 0.24 -0.24 0.43 -0.54 0.23 0.00 0.00 176.35 176.47 1x4h s LYS 94 N 1.72 2.92 -0.18 1.70 1.02 -0.47 -4.71 119.74 121.73 1x4h s LYS 94 Ca 0.30 -1.56 -0.13 0.00 0.02 0.00 0.00 55.97 54.60 1x4h s LYS 94 Cb -0.16 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.93 1x4h s LYS 94 CO 0.11 -1.18 0.27 0.08 -0.92 0.00 0.00 175.35 173.72 1x4h s VAL 95 N 1.58 5.31 -0.03 3.17 1.01 -1.25 -0.26 120.40 129.94 1x4h s VAL 95 Ca 0.04 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1x4h s VAL 95 Cb -0.27 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1x4h s VAL 95 CO 0.04 0.37 0.10 -0.62 0.00 0.00 0.00 175.10 174.99 1x4h s ASP 96 N 0.62 -0.05 -0.52 3.32 2.15 -0.20 -4.77 116.67 117.22 1x4h s ASP 96 Ca 0.15 0.05 -0.26 0.00 0.43 0.00 0.00 52.55 52.92 1x4h s ASP 96 Cb -0.13 0.21 -0.06 0.00 -0.30 0.00 0.00 42.92 42.64 1x4h s ASP 96 CO 0.04 -0.14 2.32 -0.22 -0.17 0.00 0.00 175.17 176.99 1x4h s LEU 97 N -0.44 3.38 0.00 -1.34 1.98 -1.26 -0.06 118.68 120.94 1x4h s LEU 97 Ca -0.05 0.94 -0.07 0.00 -2.89 0.00 0.00 54.13 52.06 1x4h s LEU 97 Cb -0.03 -2.51 0.14 0.00 0.66 0.00 0.00 46.19 44.45 1x4h s LEU 97 CO 0.00 -2.82 0.86 0.00 -1.89 0.00 0.00 176.35 172.50 1x4h n ALA 98 N 15.47 -0.53 -3.62 5.97 0.00 -1.26 -4.92 120.51 131.62 1x4h n ALA 98 Ca 0.34 -1.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.31 1x4h n ALA 98 Cb 0.54 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.70 0.00 -0.08 0.00 0.11 -1.26 -4.53 120.40 111.94 1x4h s VAL 99 Ca 0.52 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1x4h s VAL 99 Cb -0.02 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1x4h s VAL 99 CO 0.36 0.00 -0.02 0.74 -3.33 0.00 0.00 175.10 172.85 1x4h h THR 100 N 3.75 0.00 -4.03 5.04 2.02 -2.01 -3.46 112.91 114.21 1x4h h THR 100 Ca -0.28 -0.72 -0.53 0.00 0.77 0.00 0.00 66.41 65.65 1x4h h THR 100 Cb 1.16 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.67 1x4h h THR 100 CO 0.10 0.00 0.53 -0.60 0.37 0.00 0.00 175.52 175.92 1x4h s ARG 101 N -1.46 3.44 -0.58 6.66 3.52 -1.26 -4.92 118.95 124.35 1x4h s ARG 101 Ca -0.01 1.95 -0.02 0.00 -0.13 0.00 0.00 55.73 57.52 1x4h s ARG 101 Cb 0.00 -2.30 0.31 0.00 -1.56 0.00 0.00 34.95 31.41 1x4h s ARG 101 CO 0.02 -0.86 2.14 -3.47 -0.81 0.00 0.00 175.30 172.32 1x4h n ASP 102 N -0.81 7.18 -3.69 -2.12 -0.08 -1.26 -4.80 116.55 110.96 1x4h n ASP 102 Ca 0.09 -3.53 -0.25 0.00 -1.51 0.00 0.00 54.79 49.60 1x4h n ASP 102 Cb 0.47 -1.06 0.06 0.00 2.34 0.00 0.00 41.12 42.94 1x4h n ASP 102 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x4h n GLU 103 N -0.25 -6.88 -3.93 -0.67 -0.58 -1.26 -4.97 120.64 102.10 1x4h n GLU 103 Ca 0.51 0.75 -0.31 0.00 -0.42 0.00 0.00 57.16 57.69 1x4h n GLU 103 Cb 0.54 -5.71 -0.15 0.00 -0.57 0.00 0.00 31.44 25.55 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 -3.34 2.66 -0.15 0.62 0.00 -1.26 -5.06 121.76 115.22 1x4h s ALA 104 Ca 0.51 -2.50 -0.04 0.00 0.00 0.00 0.00 51.96 49.93 1x4h s ALA 104 Cb -0.24 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 21.01 1x4h s ALA 104 CO 0.77 -1.77 0.07 0.00 0.00 0.00 0.00 175.76 174.83 1x4h s ALA 105 N 0.80 0.56 -0.13 0.00 0.00 -1.26 -5.10 121.76 116.63 1x4h s ALA 105 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1x4h s ALA 105 Cb -0.20 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1x4h s ALA 105 CO -0.09 -1.02 -0.18 -1.54 0.00 0.00 0.00 175.76 172.93 1x4h s SER 106 N 2.06 2.78 0.00 0.00 1.04 -1.26 -4.97 113.70 113.36 1x4h s SER 106 Ca 0.02 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1x4h s SER 106 Cb -0.15 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.70 1x4h s SER 106 CO -0.08 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1x4h n GLY 107 N 4.26 -1.92 3.76 7.32 0.00 -1.26 -5.14 105.19 112.21 1x4h n GLY 107 Ca -0.19 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 4.46 -0.30 1.61 0.04 -1.26 -5.03 135.00 134.52 1x4h s PRO 108 Ca 0.00 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1x4h s PRO 108 Cb 0.00 -3.12 0.17 0.00 0.04 0.00 0.00 34.50 31.59 1x4h s PRO 108 CO 0.00 -0.05 0.92 -1.54 0.04 0.00 0.00 177.00 176.37 1x4h s SER 109 N -0.56 -0.70 0.33 6.66 1.04 -1.26 -5.15 113.70 114.06 1x4h s SER 109 Ca 0.48 0.75 -0.24 0.00 0.48 0.00 0.00 55.95 57.42 1x4h s SER 109 Cb -0.37 1.71 -0.16 0.00 0.10 0.00 0.00 66.02 67.31 1x4h s SER 109 CO 0.48 -0.13 0.35 -0.24 0.98 0.00 0.00 173.24 174.67 1x4h n SER 110 N 5.20 -1.81 -0.11 7.02 2.88 -1.26 -5.33 113.62 120.21 1x4h n SER 110 Ca -0.08 0.96 0.16 0.00 -1.33 0.00 0.00 58.87 58.57 1x4h n SER 110 Cb 0.52 -0.96 0.86 0.00 -0.75 0.00 0.00 64.21 63.88 1x4h n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42