#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 5.50 -0.58 1.61 0.01 -1.26 -4.94 113.70 114.04 1x4h s SER 2 Ca 0.00 0.00 -0.26 0.00 1.31 0.00 0.00 55.95 57.01 1x4h s SER 2 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1x4h s SER 2 CO 0.00 -2.26 1.05 -0.55 0.41 0.00 0.00 173.24 171.89 1x4h s SER 3 N 6.98 6.34 0.00 2.44 0.15 -1.26 -4.77 113.70 123.59 1x4h s SER 3 Ca 0.59 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1x4h s SER 3 Cb -0.11 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1x4h s SER 3 CO 0.16 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.84 1x4h n GLY 4 N 5.14 0.86 3.38 9.45 0.00 -1.26 -4.97 105.19 117.79 1x4h n GLY 4 Ca 0.03 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 1x4h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4h s SER 5 N -4.00 2.36 0.02 1.61 0.01 -1.26 -5.17 113.70 107.27 1x4h s SER 5 Ca 0.00 -1.20 -0.19 0.00 1.31 0.00 0.00 55.95 55.87 1x4h s SER 5 Cb 0.00 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.18 1x4h s SER 5 CO 0.00 -0.42 0.42 -0.94 0.41 0.00 0.00 173.24 172.71 1x4h s SER 6 N -3.38 -0.30 -1.16 2.44 1.04 -1.26 -4.90 113.70 106.19 1x4h s SER 6 Ca 0.29 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1x4h s SER 6 Cb 0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1x4h s SER 6 CO 0.10 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1x4h n GLY 7 N 0.69 1.21 3.29 7.32 0.00 -1.26 -4.94 105.19 111.50 1x4h n GLY 7 Ca -0.19 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.24 -2.89 -4.55 0.99 -0.00 -1.26 -4.74 117.00 103.31 1x4h n LEU 8 Ca -0.11 0.67 -0.36 0.00 -0.00 0.00 0.00 56.01 56.22 1x4h n LEU 8 Cb 0.38 -0.91 -0.03 0.00 -0.00 0.00 0.00 43.42 42.86 1x4h n LEU 8 CO 0.17 -4.48 1.55 -2.16 -0.00 0.00 0.00 177.39 172.46 1x4h s PRO 9 N -1.19 2.61 -0.42 1.47 0.04 -1.26 -4.94 135.00 131.32 1x4h s PRO 9 Ca 0.59 0.41 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 1x4h s PRO 9 Cb -0.49 -4.54 -0.00 0.00 0.04 0.00 0.00 34.50 29.51 1x4h s PRO 9 CO 0.64 -2.88 1.61 -1.12 0.04 0.00 0.00 177.00 175.29 1x4h s SER 10 N 8.11 6.03 0.22 6.66 0.01 -1.26 -4.92 113.70 128.55 1x4h s SER 10 Ca 0.68 0.90 -0.22 0.00 1.31 0.00 0.00 55.95 58.62 1x4h s SER 10 Cb -0.11 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.63 1x4h s SER 10 CO 0.16 -1.67 0.86 -1.81 0.41 0.00 0.00 173.24 171.19 1x4h s ASP 11 N 5.25 -0.18 -0.22 2.44 1.01 -1.26 -5.15 116.67 118.55 1x4h s ASP 11 Ca 0.68 -0.56 -0.04 0.00 0.71 0.00 0.00 52.55 53.34 1x4h s ASP 11 Cb -0.17 0.61 0.10 0.00 1.01 0.00 0.00 42.92 44.48 1x4h s ASP 11 CO 0.31 -1.15 0.24 0.54 0.21 0.00 0.00 175.17 175.32 1x4h s VAL 12 N -3.39 -0.34 0.19 -1.27 0.11 -1.26 -4.94 120.40 109.50 1x4h s VAL 12 Ca 0.13 -0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 1x4h s VAL 12 Cb -0.04 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1x4h s VAL 12 CO 0.05 -0.24 0.41 0.42 -3.33 0.00 0.00 175.10 172.41 1x4h s THR 13 N 2.34 0.04 -0.79 5.04 -4.23 -1.26 -5.05 115.64 111.73 1x4h s THR 13 Ca 0.08 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1x4h s THR 13 Cb -0.16 -1.80 -0.13 0.00 1.34 0.00 0.00 72.50 71.75 1x4h s THR 13 CO -0.15 -0.18 3.18 -1.84 -0.54 0.00 0.00 174.62 175.09 1x4h n GLU 14 N -0.29 2.93 -2.48 3.99 0.28 -1.26 -4.51 120.64 119.30 1x4h n GLU 14 Ca -0.07 -1.81 -0.26 0.00 -0.16 0.00 0.00 57.16 54.85 1x4h n GLU 14 Cb 0.63 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 31.12 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x4h n GLY 15 N 2.70 5.79 2.96 -1.84 0.00 -1.26 -5.00 105.19 108.54 1x4h n GLY 15 Ca 0.59 -2.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.52 1.89 0.06 1.61 1.02 -1.26 -4.91 119.74 114.64 1x4h s LYS 16 Ca 0.47 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 1x4h s LYS 16 Cb 0.40 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1x4h s LYS 16 CO -0.17 -0.30 -0.02 0.99 -0.92 0.00 0.00 175.35 174.93 1x4h s THR 17 N 1.57 0.23 -0.23 2.17 2.01 -1.26 -4.02 115.64 116.10 1x4h s THR 17 Ca 0.04 -1.83 -0.07 0.00 0.31 0.00 0.00 61.69 60.14 1x4h s THR 17 Cb -0.13 -1.60 0.11 0.00 0.01 0.00 0.00 72.50 70.89 1x4h s THR 17 CO -0.09 -0.92 0.48 0.68 -0.69 0.00 0.00 174.62 174.08 1x4h s VAL 18 N -3.92 -0.75 -0.20 3.82 -7.23 -0.62 -3.94 120.40 107.57 1x4h s VAL 18 Ca 0.10 0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1x4h s VAL 18 Cb 0.08 -0.78 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 1x4h s VAL 18 CO -0.08 0.03 -0.07 0.12 -0.31 0.00 0.00 175.10 174.79 1x4h s PHE 19 N 2.69 2.93 -0.06 2.82 5.36 0.90 -0.54 117.98 132.08 1x4h s PHE 19 Ca -0.00 -0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 54.93 1x4h s PHE 19 Cb -0.12 -2.05 -0.05 0.00 -0.34 0.00 0.00 43.02 40.46 1x4h s PHE 19 CO -0.15 -0.49 0.31 0.42 -1.46 0.00 0.00 175.22 173.84 1x4h s ILE 20 N 1.24 5.22 0.24 3.12 1.09 -0.28 -1.05 121.20 130.78 1x4h s ILE 20 Ca 0.03 0.60 0.11 0.00 -1.10 0.00 0.00 60.65 60.28 1x4h s ILE 20 Cb -0.14 -3.60 -0.05 0.00 -1.06 0.00 0.00 42.46 37.61 1x4h s ILE 20 CO -0.02 0.57 -0.19 -0.13 -0.10 0.00 0.00 174.94 175.06 1x4h s ARG 21 N -0.85 1.55 -0.98 2.79 0.52 0.99 -2.22 118.95 120.75 1x4h s ARG 21 Ca 0.20 -1.67 -0.05 0.00 -0.52 0.00 0.00 55.73 53.69 1x4h s ARG 21 Cb -0.15 -1.62 0.01 0.00 0.52 0.00 0.00 34.95 33.71 1x4h s ARG 21 CO 0.09 0.31 0.62 -1.71 0.02 0.00 0.00 175.30 174.63 1x4h n ASN 22 N -0.37 -4.83 -4.77 0.23 5.15 -0.95 -2.23 115.26 107.48 1x4h n ASN 22 Ca -0.07 -0.29 -0.36 0.00 -0.60 0.00 0.00 54.58 53.26 1x4h n ASN 22 Cb 0.59 -3.55 -0.01 0.00 -0.53 0.00 0.00 39.78 36.29 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 -5.00 3.85 -0.01 1.20 1.43 0.23 -4.57 118.68 115.80 1x4h s LEU 23 Ca 0.31 2.19 -0.15 0.00 -1.03 0.00 0.00 54.13 55.45 1x4h s LEU 23 Cb -0.14 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 1x4h s LEU 23 CO 0.38 -1.08 0.41 -0.55 0.23 0.00 0.00 176.35 175.75 1x4h s SER 24 N -1.66 6.79 0.63 2.29 0.15 -1.26 -4.66 113.70 115.98 1x4h s SER 24 Ca 0.69 0.94 0.29 0.00 0.70 0.00 0.00 55.95 58.57 1x4h s SER 24 Cb -0.25 -2.25 1.55 0.00 -1.71 0.00 0.00 66.02 63.36 1x4h s SER 24 CO 0.29 0.29 1.91 -0.26 1.20 0.00 0.00 173.24 176.67 1x4h h PHE 25 N 4.95 0.00 0.00 3.44 0.04 -1.96 0.27 116.94 123.69 1x4h h PHE 25 Ca -0.50 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.04 1x4h h PHE 25 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1x4h h PHE 25 CO 0.70 0.00 -0.95 -0.44 -0.60 0.00 0.00 178.31 177.02 1x4h h ASP 26 N 0.00 0.55 -2.87 2.17 3.32 -1.97 -3.43 116.42 114.20 1x4h h ASP 26 Ca 0.10 -0.44 -0.52 0.00 0.02 0.00 0.00 57.03 56.18 1x4h h ASP 26 Cb 0.88 -0.17 0.22 0.00 0.22 0.00 0.00 39.33 40.48 1x4h h ASP 26 CO -0.00 1.24 -0.98 -0.24 -1.72 0.00 0.00 179.24 177.54 1x4h n SER 27 N -3.75 -2.83 -3.71 6.45 2.88 0.95 -5.03 113.62 108.57 1x4h n SER 27 Ca -0.07 0.20 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 1x4h n SER 27 Cb 0.84 -1.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.15 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 -3.26 0.61 0.35 -1.46 2.02 -1.26 -4.96 118.70 110.73 1x4h s GLU 28 Ca 0.53 0.35 0.19 0.00 0.02 0.00 0.00 54.97 56.05 1x4h s GLU 28 Cb -0.17 0.29 1.24 0.00 0.10 0.00 0.00 34.13 35.59 1x4h s GLU 28 CO 0.70 -0.12 1.49 -1.91 0.02 0.00 0.00 175.26 175.43 1x4h n GLU 29 N 2.21 -0.06 0.39 1.61 2.13 -1.26 -0.04 120.64 125.62 1x4h n GLU 29 Ca -0.16 1.31 -0.17 0.00 0.66 0.00 0.00 57.16 58.79 1x4h n GLU 29 Cb 0.57 -2.33 -0.09 0.00 0.27 0.00 0.00 31.44 29.86 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 -0.96 0.67 5.31 5.08 -1.95 -2.46 114.58 120.27 1x4h h GLU 30 Ca 0.79 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 59.18 1x4h h GLU 30 Cb 2.07 0.22 0.01 0.00 0.50 0.00 0.00 28.75 31.55 1x4h h GLU 30 CO -0.73 -0.62 -0.32 0.00 -1.00 0.00 0.00 179.01 176.33 1x4h h ALA 31 N -0.95 -0.90 -0.97 3.43 0.00 -0.86 -2.10 119.26 116.92 1x4h h ALA 31 Ca -0.10 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1x4h h ALA 31 Cb 0.78 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1x4h h ALA 31 CO 0.17 -0.98 -0.53 -0.11 0.00 0.00 0.00 179.25 177.80 1x4h n LEU 32 N -5.46 -0.94 -0.09 0.00 0.00 0.93 -0.39 117.00 111.05 1x4h n LEU 32 Ca -0.13 1.71 -0.07 0.00 0.00 0.00 0.00 56.01 57.52 1x4h n LEU 32 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 43.42 43.54 1x4h n LEU 32 CO 0.37 -1.42 0.92 1.23 0.00 0.00 0.00 177.39 178.48 1x4h h GLY 33 N 0.00 0.38 1.38 -3.96 0.00 -1.42 -0.43 103.07 99.02 1x4h h GLY 33 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1x4h h GLY 33 CO -0.92 0.01 0.30 0.83 0.00 0.00 0.00 176.54 176.77 1x4h h GLU 34 N 0.22 0.00 0.05 4.80 4.39 0.00 0.52 114.58 124.56 1x4h h GLU 34 Ca 0.14 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.55 1x4h h GLU 34 Cb 0.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1x4h h GLU 34 CO -0.16 0.00 -1.60 0.28 -1.16 0.00 0.00 179.01 176.37 1x4h h VAL 35 N 0.00 1.01 0.00 3.13 2.07 0.11 -3.35 116.25 119.23 1x4h h VAL 35 Ca 0.00 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1x4h h VAL 35 Cb 0.60 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1x4h h VAL 35 CO 0.00 0.69 -0.81 -0.07 0.02 0.00 0.00 177.57 177.40 1x4h h LEU 36 N 0.03 0.00 -1.35 2.57 3.38 -0.08 -3.32 115.31 116.54 1x4h h LEU 36 Ca -0.25 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1x4h h LEU 36 Cb 1.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1x4h h LEU 36 CO 0.11 0.02 -0.32 1.56 0.09 0.00 0.00 178.44 179.90 1x4h h GLN 37 N 0.00 0.00 -0.81 1.13 4.20 -0.30 -3.01 115.11 116.32 1x4h h GLN 37 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1x4h h GLN 37 Cb 0.95 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.62 1x4h h GLN 37 CO 0.00 0.32 0.32 -0.56 -0.67 0.00 0.00 178.83 178.24 1x4h h GLN 38 N 0.00 0.40 -0.03 1.46 3.07 -1.70 -1.72 115.11 116.59 1x4h h GLN 38 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1x4h h GLN 38 Cb 0.62 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 1x4h h GLN 38 CO 0.04 0.26 -0.02 0.74 0.09 0.00 0.00 178.83 179.95 1x4h h PHE 39 N 0.41 0.07 -2.80 0.06 -1.00 -1.78 -3.48 116.94 108.41 1x4h h PHE 39 Ca 0.47 -0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.29 1x4h h PHE 39 Cb 0.79 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 1x4h h PHE 39 CO -0.17 0.50 0.42 0.20 -1.61 0.00 0.00 178.31 177.65 1x4h s GLY 40 N -3.16 0.29 0.06 -1.45 0.00 -0.65 -4.93 107.32 97.48 1x4h s GLY 40 Ca -0.15 -0.61 -0.31 0.00 0.00 0.00 0.00 44.72 43.65 1x4h s GLY 40 CO 0.69 1.08 1.39 0.99 0.00 0.00 0.00 173.10 177.25 1x4h s ASP 41 N -3.26 6.84 -0.27 1.64 1.01 -1.26 -4.07 116.67 117.31 1x4h s ASP 41 Ca 0.19 2.21 -0.20 0.00 0.71 0.00 0.00 52.55 55.46 1x4h s ASP 41 Cb -0.04 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1x4h s ASP 41 CO 0.09 -0.68 0.62 -0.76 0.21 0.00 0.00 175.17 174.65 1x4h s LEU 42 N 1.76 4.08 0.14 1.23 1.43 -1.26 -0.43 118.68 125.63 1x4h s LEU 42 Ca 0.64 0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 54.20 1x4h s LEU 42 Cb -0.34 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 1x4h s LEU 42 CO 0.29 -0.39 1.75 0.50 0.23 0.00 0.00 176.35 178.73 1x4h h LYS 43 N 7.98 0.50 -1.85 1.70 1.63 0.13 -3.45 116.57 123.20 1x4h h LYS 43 Ca -0.27 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.50 1x4h h LYS 43 Cb 1.12 -0.10 -0.23 0.00 -0.60 0.00 0.00 32.23 32.42 1x4h h LYS 43 CO 0.78 0.40 0.20 1.52 -3.45 0.00 0.00 179.45 178.89 1x4h s TYR 44 N -5.93 -0.78 -0.24 1.91 -0.85 -1.17 -4.98 117.35 105.31 1x4h s TYR 44 Ca -0.13 1.73 0.02 0.00 -0.52 0.00 0.00 57.07 58.17 1x4h s TYR 44 Cb 0.10 0.42 0.05 0.00 0.38 0.00 0.00 41.96 42.91 1x4h s TYR 44 CO 0.73 -0.38 -0.13 0.54 -1.52 0.00 0.00 175.55 174.79 1x4h s VAL 45 N 0.90 2.07 -0.05 -3.49 0.11 -1.26 -0.56 120.40 118.12 1x4h s VAL 45 Ca -0.04 -1.42 0.04 0.00 -2.93 0.00 0.00 61.98 57.63 1x4h s VAL 45 Cb -0.05 -2.12 -0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1x4h s VAL 45 CO -0.09 0.10 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.00 1x4h s ARG 46 N 1.18 1.91 -0.14 1.54 3.52 0.11 -5.00 118.95 122.07 1x4h s ARG 46 Ca -0.05 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 1x4h s ARG 46 Cb -0.18 -1.63 0.00 0.00 -1.56 0.00 0.00 34.95 31.58 1x4h s ARG 46 CO -0.07 0.24 -0.19 0.54 -0.81 0.00 0.00 175.30 175.01 1x4h s VAL 47 N 0.08 2.37 -0.08 7.11 0.11 -1.26 -0.46 120.40 128.27 1x4h s VAL 47 Ca -0.05 -0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 1x4h s VAL 47 Cb -0.12 -1.97 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 1x4h s VAL 47 CO 0.03 0.54 1.67 0.54 -3.33 0.00 0.00 175.10 174.54 1x4h s VAL 48 N 0.71 3.58 0.32 2.04 0.11 -1.24 -5.00 120.40 120.92 1x4h s VAL 48 Ca -0.08 0.69 0.09 0.00 -2.93 0.00 0.00 61.98 59.75 1x4h s VAL 48 Cb -0.16 -3.48 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 1x4h s VAL 48 CO 0.01 -0.10 0.01 -0.76 -3.33 0.00 0.00 175.10 170.93 1x4h s LEU 49 N 4.34 3.02 0.40 2.54 1.43 -1.26 -2.86 118.68 126.29 1x4h s LEU 49 Ca 0.74 -0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 1x4h s LEU 49 Cb -0.32 -1.44 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 1x4h s LEU 49 CO 0.30 -0.18 1.41 1.57 0.23 0.00 0.00 176.35 179.68 1x4h n HIS 50 N -0.94 2.68 0.44 0.29 -0.00 -1.17 -4.88 115.22 111.64 1x4h n HIS 50 Ca -0.05 0.47 0.10 0.00 0.46 0.00 0.00 57.72 58.70 1x4h n HIS 50 Cb 0.61 -2.47 0.40 0.00 -0.12 0.00 0.00 29.99 28.42 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 0.22 0.10 -0.03 1.57 -0.04 -1.26 -3.60 135.00 131.96 1x4h n PRO 51 Ca 0.04 0.35 -0.05 0.00 -0.04 0.00 0.00 63.50 63.80 1x4h n PRO 51 Cb 0.39 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.90 2.47 -4.39 3.54 2.03 -1.26 -5.09 116.55 111.96 1x4h n ASP 52 Ca 0.03 0.01 -0.27 0.00 0.52 0.00 0.00 54.79 55.08 1x4h n ASP 52 Cb 0.20 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1x4h n ASP 52 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1x4h n THR 53 N -2.88 0.00 -2.23 5.18 -2.24 -1.24 -5.06 114.28 105.81 1x4h n THR 53 Ca -0.11 -2.03 -0.34 0.00 -2.27 0.00 0.00 64.05 59.30 1x4h n THR 53 Cb 0.60 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1x4h n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x4h n GLU 54 N -1.30 3.21 -3.67 -0.78 -0.58 -1.26 -3.04 120.64 113.22 1x4h n GLU 54 Ca -0.13 -4.05 -0.37 0.00 -0.42 0.00 0.00 57.16 52.20 1x4h n GLU 54 Cb 0.56 -2.27 -0.11 0.00 -0.57 0.00 0.00 31.44 29.04 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1x4h s HIS 55 N -3.86 3.17 -0.56 -0.32 3.76 -1.26 -4.90 115.29 111.33 1x4h s HIS 55 Ca 0.49 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 55.02 1x4h s HIS 55 Cb 0.40 -2.31 -0.12 0.00 1.11 0.00 0.00 32.58 31.66 1x4h s HIS 55 CO -0.30 -0.22 2.41 0.45 -0.85 0.00 0.00 174.74 176.24 1x4h n SER 56 N 4.93 1.81 -0.39 1.40 2.88 -1.26 -3.13 113.62 119.86 1x4h n SER 56 Ca -0.15 -0.03 0.36 0.00 -1.33 0.00 0.00 58.87 57.71 1x4h n SER 56 Cb 0.52 -1.33 0.62 0.00 -0.75 0.00 0.00 64.21 63.27 1x4h n SER 56 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1x4h n LYS 57 N 8.63 -0.05 0.00 -1.46 4.81 -1.13 -4.66 118.16 124.30 1x4h n LYS 57 Ca 0.45 1.28 0.00 0.00 -0.87 0.00 0.00 58.31 59.17 1x4h n LYS 57 Cb 0.32 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4h n GLY 58 N -1.39 -0.57 3.61 3.14 0.00 -1.26 -5.03 105.19 103.68 1x4h n GLY 58 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.89 -0.34 -0.05 0.00 0.00 -0.94 -3.67 121.76 112.87 1x4h s ALA 60 Ca 0.10 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1x4h s ALA 60 Cb -0.02 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1x4h s ALA 60 CO 0.00 -0.70 -0.13 -0.06 0.00 0.00 0.00 175.76 174.87 1x4h s PHE 61 N -3.93 1.39 0.29 0.00 0.40 0.40 -1.13 117.98 115.40 1x4h s PHE 61 Ca 0.14 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1x4h s PHE 61 Cb 0.02 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 1x4h s PHE 61 CO -0.01 -0.18 0.11 0.00 0.70 0.00 0.00 175.22 175.84 1x4h s ALA 62 N 0.30 1.95 -0.00 5.36 0.00 0.30 -0.71 121.76 128.96 1x4h s ALA 62 Ca -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1x4h s ALA 62 Cb -0.12 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1x4h s ALA 62 CO 0.02 -0.45 0.00 -1.14 0.00 0.00 0.00 175.76 174.20 1x4h s GLN 63 N -3.93 0.03 0.50 0.00 0.74 0.28 -1.58 119.66 115.69 1x4h s GLN 63 Ca 0.36 0.02 0.06 0.00 0.05 0.00 0.00 55.36 55.85 1x4h s GLN 63 Cb 0.07 -0.08 0.04 0.00 1.10 0.00 0.00 33.01 34.14 1x4h s GLN 63 CO 0.15 -0.02 0.68 -0.06 -0.55 0.00 0.00 175.29 175.49 1x4h s PHE 64 N 0.17 2.51 -0.13 1.67 0.08 -1.26 0.16 117.98 121.18 1x4h s PHE 64 Ca -0.01 -0.35 0.22 0.00 0.12 0.00 0.00 56.93 56.91 1x4h s PHE 64 Cb -0.02 -2.48 -0.17 0.00 -0.57 0.00 0.00 43.02 39.77 1x4h s PHE 64 CO -0.00 -0.73 0.76 -1.33 -0.10 0.00 0.00 175.22 173.81 1x4h n MET 65 N -2.10 0.63 -4.05 0.44 2.81 0.43 -4.20 117.12 111.09 1x4h n MET 65 Ca 0.10 -0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.76 1x4h n MET 65 Cb 0.60 -1.67 -0.16 0.00 -0.71 0.00 0.00 33.22 31.27 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 -3.44 0.37 0.26 2.03 -4.23 -1.26 -5.03 115.64 104.34 1x4h s THR 66 Ca -0.04 -0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.35 1x4h s THR 66 Cb 0.12 -0.43 0.39 0.00 1.34 0.00 0.00 72.50 73.92 1x4h s THR 66 CO 0.85 0.19 1.58 1.56 -0.54 0.00 0.00 174.62 178.26 1x4h h GLN 67 N 7.24 -0.00 -0.97 3.99 4.20 -1.90 0.71 115.11 128.38 1x4h h GLN 67 Ca -0.39 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.51 1x4h h GLN 67 Cb 1.14 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.81 1x4h h GLN 67 CO 0.47 -0.00 0.55 1.49 -0.67 0.00 0.00 178.83 180.67 1x4h h GLU 68 N -0.00 0.65 0.02 1.46 4.57 -1.97 -2.30 114.58 117.00 1x4h h GLU 68 Ca 0.42 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.58 1x4h h GLU 68 Cb 0.65 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1x4h h GLU 68 CO -0.91 0.43 -0.37 0.00 -1.18 0.00 0.00 179.01 176.97 1x4h h ALA 69 N 1.65 -0.83 -0.84 2.92 0.00 0.08 0.46 119.26 122.70 1x4h h ALA 69 Ca 0.57 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.60 1x4h h ALA 69 Cb 0.93 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 19.41 1x4h h ALA 69 CO -0.41 -0.93 0.33 0.00 0.00 0.00 0.00 179.25 178.24 1x4h h ALA 70 N -0.77 1.26 -0.46 0.00 0.00 -1.39 0.21 119.26 118.11 1x4h h ALA 70 Ca 0.01 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1x4h h ALA 70 Cb 0.51 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1x4h h ALA 70 CO -0.24 -0.30 -0.04 1.96 0.00 0.00 0.00 179.25 180.63 1x4h h GLN 71 N 0.39 0.79 0.00 0.00 1.08 -1.00 -1.90 115.11 114.47 1x4h h GLN 71 Ca 0.50 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.43 1x4h h GLN 71 Cb 0.89 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1x4h h GLN 71 CO -0.50 0.82 -0.17 0.87 -0.95 0.00 0.00 178.83 178.90 1x4h h LYS 72 N 0.73 0.00 0.13 1.46 1.57 0.30 -2.53 116.57 118.23 1x4h h LYS 72 Ca 0.14 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.62 1x4h h LYS 72 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x4h h LYS 72 CO 0.03 0.17 -1.41 0.00 -0.57 0.00 0.00 179.45 177.67 1x4h h LEU 74 N 0.07 -0.65 -1.68 0.00 3.38 -1.14 0.18 115.31 115.48 1x4h h LEU 74 Ca -0.20 0.02 0.42 0.00 0.09 0.00 0.00 57.88 58.22 1x4h h LEU 74 Cb 2.00 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.83 1x4h h LEU 74 CO 0.18 -0.30 0.96 0.00 0.09 0.00 0.00 178.44 179.37 1x4h h ALA 75 N -1.33 3.03 0.00 1.53 0.00 -1.64 1.30 119.26 122.15 1x4h h ALA 75 Ca -0.08 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1x4h h ALA 75 Cb 0.59 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1x4h h ALA 75 CO 0.13 -1.54 -1.36 0.00 0.00 0.00 0.00 179.25 176.48 1x4h h ALA 76 N 1.42 0.65 0.00 0.00 0.00 -1.61 -3.30 119.26 116.41 1x4h h ALA 76 Ca 0.76 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1x4h h ALA 76 Cb 2.64 0.24 0.00 0.00 0.00 0.00 0.00 17.79 20.67 1x4h h ALA 76 CO -0.21 1.24 -0.00 0.00 0.00 0.00 0.00 179.25 180.28 1x4h n ALA 77 N -2.44 2.32 -3.44 0.00 0.00 0.41 -2.70 120.51 114.66 1x4h n ALA 77 Ca -0.10 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1x4h n ALA 77 Cb 0.94 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.64 5.72 0.62 0.00 0.15 0.89 -4.15 113.70 113.29 1x4h s SER 78 Ca 0.13 -1.78 0.41 0.00 0.70 0.00 0.00 55.95 55.41 1x4h s SER 78 Cb 0.16 -2.02 2.24 0.00 -1.71 0.00 0.00 66.02 64.69 1x4h s SER 78 CO 0.56 -0.66 2.26 0.17 1.20 0.00 0.00 173.24 176.77 1x4h h LEU 79 N 8.47 0.00 0.00 3.45 -0.00 -1.72 0.24 115.31 125.76 1x4h h LEU 79 Ca -0.22 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.47 1x4h h LEU 79 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 1x4h h LEU 79 CO 0.84 0.00 -1.00 1.05 -0.00 0.00 0.00 178.44 179.33 1x4h h GLU 80 N 0.00 0.00 0.00 0.17 4.11 -1.92 -1.92 114.58 115.02 1x4h h GLU 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x4h h GLU 80 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x4h h GLU 80 CO 0.00 0.71 0.00 0.00 0.07 0.00 0.00 179.01 179.79 1x4h n ALA 81 N -2.35 -0.11 -2.22 1.06 0.00 0.07 -4.23 120.51 112.73 1x4h n ALA 81 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1x4h n ALA 81 Cb 0.89 0.19 0.08 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.56 1.34 -2.92 0.00 0.28 -1.25 -4.96 120.64 111.56 1x4h n GLU 82 Ca 0.00 -3.00 -0.10 0.00 -0.16 0.00 0.00 57.16 53.90 1x4h n GLU 82 Cb 0.00 -1.12 0.04 0.00 1.43 0.00 0.00 31.44 31.78 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x4h n GLY 83 N -0.37 0.24 3.29 -1.84 0.00 -0.74 -5.04 105.19 100.73 1x4h n GLY 83 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1x4h n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4h s GLY 84 N -3.24 -0.39 0.05 -0.02 0.00 -1.10 -4.98 107.32 97.64 1x4h s GLY 84 Ca 0.21 1.55 0.04 0.00 0.00 0.00 0.00 44.72 46.52 1x4h s GLY 84 CO 0.33 2.46 -0.11 -0.32 0.00 0.00 0.00 173.10 175.45 1x4h s GLY 85 N 2.63 0.68 0.37 0.20 0.00 -1.17 -2.40 107.32 107.63 1x4h s GLY 85 Ca -0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 43.80 1x4h s GLY 85 CO -0.13 -0.84 0.69 1.08 0.00 0.00 0.00 173.10 173.90 1x4h s LEU 86 N -1.42 3.91 -0.02 0.66 1.02 -1.10 -4.91 118.68 116.81 1x4h s LEU 86 Ca -0.04 0.98 -0.11 0.00 0.02 0.00 0.00 54.13 54.98 1x4h s LEU 86 Cb -0.09 -3.84 0.02 0.00 0.02 0.00 0.00 46.19 42.30 1x4h s LEU 86 CO 0.01 -0.33 0.24 -0.54 0.02 0.00 0.00 176.35 175.75 1x4h s LYS 87 N -3.76 0.54 -0.34 1.70 1.02 -1.26 -2.13 119.74 115.50 1x4h s LYS 87 Ca 0.48 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1x4h s LYS 87 Cb -0.10 0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.55 1x4h s LYS 87 CO 0.31 -0.13 0.12 -1.17 -0.92 0.00 0.00 175.35 173.56 1x4h s LEU 88 N -1.06 2.65 -0.54 3.17 2.96 0.79 -4.80 118.68 121.85 1x4h s LEU 88 Ca -0.11 -1.91 -0.03 0.00 -0.22 0.00 0.00 54.13 51.85 1x4h s LEU 88 Cb -0.05 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1x4h s LEU 88 CO 0.03 -0.38 0.47 -0.67 -1.32 0.00 0.00 176.35 174.48 1x4h n ASP 89 N 4.50 -3.62 -0.06 3.68 2.03 -1.26 -3.00 116.55 118.81 1x4h n ASP 89 Ca 0.01 -0.22 -0.01 0.00 0.52 0.00 0.00 54.79 55.09 1x4h n ASP 89 Cb 0.40 -2.33 -0.00 0.00 -0.72 0.00 0.00 41.12 38.47 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 -1.11 0.49 3.34 0.27 0.00 -1.26 -5.02 105.19 101.89 1x4h n GLY 90 Ca -0.01 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.97 3.33 -0.29 1.61 1.81 -1.16 -5.08 118.95 118.20 1x4h s ARG 91 Ca 0.00 -0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 53.02 1x4h s ARG 91 Cb 0.00 -2.64 -0.01 0.00 -0.45 0.00 0.00 34.95 31.85 1x4h s ARG 91 CO 0.00 0.14 1.53 -1.14 -0.68 0.00 0.00 175.30 175.15 1x4h s GLN 92 N 0.53 3.71 -0.54 3.54 -0.44 -1.26 -0.15 119.66 125.05 1x4h s GLN 92 Ca -0.09 1.40 -0.26 0.00 -2.50 0.00 0.00 55.36 53.91 1x4h s GLN 92 Cb -0.16 -4.02 0.03 0.00 -1.64 0.00 0.00 33.01 27.23 1x4h s GLN 92 CO 0.04 -1.39 1.03 -0.51 0.50 0.00 0.00 175.29 174.96 1x4h s LEU 93 N 5.30 3.86 -0.58 3.68 1.43 -0.90 -4.56 118.68 126.89 1x4h s LEU 93 Ca 0.67 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.47 1x4h s LEU 93 Cb -0.21 -3.03 0.07 0.00 0.03 0.00 0.00 46.19 43.05 1x4h s LEU 93 CO 0.29 -1.28 0.82 -0.54 0.23 0.00 0.00 176.35 175.87 1x4h s LYS 94 N 4.25 3.14 -0.20 1.70 1.02 -0.95 -4.61 119.74 124.10 1x4h s LYS 94 Ca 0.36 -0.83 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 1x4h s LYS 94 Cb -0.10 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.99 1x4h s LYS 94 CO 0.23 -1.54 0.12 0.08 -0.92 0.00 0.00 175.35 173.32 1x4h s VAL 95 N 3.38 5.34 -0.01 3.17 1.01 -1.25 -0.01 120.40 132.03 1x4h s VAL 95 Ca 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1x4h s VAL 95 Cb -0.18 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1x4h s VAL 95 CO 0.12 0.45 0.05 -0.62 0.00 0.00 0.00 175.10 175.09 1x4h s ASP 96 N 0.34 0.04 -0.51 3.32 2.15 -0.22 -4.76 116.67 117.03 1x4h s ASP 96 Ca 0.07 -0.11 -0.26 0.00 0.43 0.00 0.00 52.55 52.69 1x4h s ASP 96 Cb -0.11 0.13 -0.06 0.00 -0.30 0.00 0.00 42.92 42.58 1x4h s ASP 96 CO -0.02 -0.16 2.31 -0.22 -0.17 0.00 0.00 175.17 176.91 1x4h s LEU 97 N -0.64 3.39 0.00 -1.34 1.98 -1.26 -0.07 118.68 120.74 1x4h s LEU 97 Ca -0.07 0.95 -0.11 0.00 -2.89 0.00 0.00 54.13 52.00 1x4h s LEU 97 Cb -0.04 -2.51 0.18 0.00 0.66 0.00 0.00 46.19 44.48 1x4h s LEU 97 CO 0.00 -2.79 1.11 0.00 -1.89 0.00 0.00 176.35 172.77 1x4h n ALA 98 N 15.35 -1.01 -3.69 5.97 0.00 -1.25 -4.92 120.51 130.96 1x4h n ALA 98 Ca 0.34 -1.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.01 1x4h n ALA 98 Cb 0.54 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.37 -0.06 -0.07 0.00 1.01 -1.26 -4.52 120.40 112.14 1x4h s VAL 99 Ca 0.65 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 1x4h s VAL 99 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1x4h s VAL 99 CO 0.45 0.18 -0.06 0.74 0.00 0.00 0.00 175.10 176.40 1x4h h THR 100 N 6.42 0.00 -3.05 3.92 2.02 -1.99 -3.47 112.91 116.76 1x4h h THR 100 Ca -0.16 -0.52 -0.58 0.00 0.77 0.00 0.00 66.41 65.93 1x4h h THR 100 Cb 1.12 0.00 0.11 0.00 -1.74 0.00 0.00 68.15 67.64 1x4h h THR 100 CO 0.19 0.00 0.35 -1.14 0.37 0.00 0.00 175.52 175.29 1x4h n ARG 101 N -3.47 1.79 -4.32 6.66 0.63 -1.26 -5.00 116.66 111.69 1x4h n ARG 101 Ca -0.03 0.63 -0.28 0.00 -0.92 0.00 0.00 57.85 57.25 1x4h n ARG 101 Cb 0.09 -2.15 -0.11 0.00 0.45 0.00 0.00 32.46 30.74 1x4h n ARG 101 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1x4h s ASP 102 N -0.45 3.92 -0.59 6.15 1.47 -1.26 -5.04 116.67 120.86 1x4h s ASP 102 Ca 0.58 -0.63 0.01 0.00 1.18 0.00 0.00 52.55 53.69 1x4h s ASP 102 Cb -0.60 -0.54 0.43 0.00 -0.34 0.00 0.00 42.92 41.87 1x4h s ASP 102 CO 0.61 0.14 1.75 1.21 0.68 0.00 0.00 175.17 179.55 1x4h n GLU 103 N 0.44 2.99 -3.06 2.11 4.07 -1.26 -4.94 120.64 120.99 1x4h n GLU 103 Ca -0.13 -3.66 -0.44 0.00 -0.06 0.00 0.00 57.16 52.87 1x4h n GLU 103 Cb 0.54 -2.28 -0.04 0.00 -0.06 0.00 0.00 31.44 29.60 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x4h s ALA 104 N -3.79 3.35 -0.02 4.31 0.00 -1.26 -5.01 121.76 119.33 1x4h s ALA 104 Ca 0.58 -2.11 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1x4h s ALA 104 Cb 0.46 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1x4h s ALA 104 CO -0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 175.76 173.22 1x4h s ALA 105 N 2.98 0.40 0.10 0.00 0.00 -1.26 -5.05 121.76 118.93 1x4h s ALA 105 Ca 0.14 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 1x4h s ALA 105 Cb -0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1x4h s ALA 105 CO 0.07 0.01 1.65 0.77 0.00 0.00 0.00 175.76 178.26 1x4h h SER 106 N 6.74 0.31 -0.22 0.00 0.02 -2.06 -3.48 113.55 114.85 1x4h h SER 106 Ca -0.36 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1x4h h SER 106 Cb 1.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1x4h h SER 106 CO 0.49 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 1x4h n GLY 107 N -0.75 0.23 3.69 -3.77 0.00 -1.26 -5.04 105.19 98.30 1x4h n GLY 107 Ca -0.03 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.64 4.28 -0.22 1.61 0.04 -1.26 -5.01 135.00 133.81 1x4h s PRO 108 Ca 0.00 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1x4h s PRO 108 Cb 0.00 -3.50 0.11 0.00 0.04 0.00 0.00 34.50 31.15 1x4h s PRO 108 CO 0.00 -0.56 0.33 0.45 0.04 0.00 0.00 177.00 177.27 1x4h s SER 109 N 1.75 0.49 -0.16 6.66 0.15 -1.26 -5.03 113.70 116.30 1x4h s SER 109 Ca 0.65 0.22 -0.18 0.00 0.70 0.00 0.00 55.95 57.33 1x4h s SER 109 Cb -0.34 0.92 -0.23 0.00 -1.71 0.00 0.00 66.02 64.66 1x4h s SER 109 CO 0.28 -0.29 0.39 -1.28 1.20 0.00 0.00 173.24 173.54 1x4h h SER 110 N 8.22 0.18 0.00 5.45 0.87 -2.08 -3.57 113.55 122.63 1x4h h SER 110 Ca -0.18 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 1x4h h SER 110 Cb 1.15 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1x4h h SER 110 CO 0.25 1.54 0.00 0.61 -0.53 0.00 0.00 176.83 178.70