#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4h n SER 2 N 0.00 -2.44 -3.64 1.61 7.64 -1.26 -4.92 113.62 110.61 1x4h n SER 2 Ca 0.00 -1.01 -0.06 0.00 1.01 0.00 0.00 58.87 58.81 1x4h n SER 2 Cb 0.00 -2.84 -0.07 0.00 -1.01 0.00 0.00 64.21 60.30 1x4h n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4h s SER 3 N -3.61 -0.58 0.00 6.43 1.04 -1.26 -5.14 113.70 110.58 1x4h s SER 3 Ca 0.52 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1x4h s SER 3 Cb -0.28 1.15 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1x4h s SER 3 CO 0.92 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.58 1x4h n GLY 4 N 3.23 1.77 3.82 7.32 0.00 -1.26 -5.15 105.19 114.92 1x4h n GLY 4 Ca -0.16 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 6.99 0.00 1.61 0.01 -1.26 -4.97 113.70 116.08 1x4h s SER 5 Ca 0.00 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1x4h s SER 5 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1x4h s SER 5 CO 0.00 -0.09 0.00 -1.54 0.41 0.00 0.00 173.24 172.02 1x4h n SER 6 N 0.22 0.00 -2.75 2.44 3.41 -1.26 -5.10 113.62 110.59 1x4h n SER 6 Ca 0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1x4h n SER 6 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1x4h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4h n GLY 7 N 2.20 -1.05 3.21 5.00 0.00 -1.26 -4.92 105.19 108.37 1x4h n GLY 7 Ca 0.00 0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 1x4h n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4h n LEU 8 N -1.63 -3.73 0.00 0.99 7.99 -1.26 -4.75 117.00 114.61 1x4h n LEU 8 Ca -0.00 0.53 0.05 0.00 -0.01 0.00 0.00 56.01 56.58 1x4h n LEU 8 Cb 0.50 -0.87 0.31 0.00 -0.11 0.00 0.00 43.42 43.25 1x4h n LEU 8 CO 0.42 -4.91 0.52 -0.81 -1.51 0.00 0.00 177.39 171.11 1x4h n PRO 9 N 1.50 0.49 -0.83 3.23 -0.04 -1.26 -4.86 135.00 133.23 1x4h n PRO 9 Ca 0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 1x4h n PRO 9 Cb 0.50 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1x4h n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4h n SER 10 N -0.83 0.43 -4.04 3.54 2.88 -1.26 -4.87 113.62 109.47 1x4h n SER 10 Ca 0.08 0.38 -0.10 0.00 -1.33 0.00 0.00 58.87 57.90 1x4h n SER 10 Cb 0.04 -0.58 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 1x4h n SER 10 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1x4h s ASP 11 N 4.17 0.13 -0.31 -3.46 1.01 -1.26 -5.07 116.67 111.87 1x4h s ASP 11 Ca 0.79 -1.02 0.11 0.00 0.71 0.00 0.00 52.55 53.13 1x4h s ASP 11 Cb -0.93 0.39 0.46 0.00 1.01 0.00 0.00 42.92 43.85 1x4h s ASP 11 CO 0.40 -0.85 1.14 0.55 0.21 0.00 0.00 175.17 176.63 1x4h n VAL 12 N -0.18 2.14 -3.74 -1.27 3.14 -1.26 -5.03 118.33 112.12 1x4h n VAL 12 Ca -0.06 -4.01 -0.12 0.00 -2.96 0.00 0.00 64.34 57.18 1x4h n VAL 12 Cb 0.63 -0.55 -0.11 0.00 -1.06 0.00 0.00 33.84 32.75 1x4h n VAL 12 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1x4h s THR 13 N -4.52 -0.01 -0.38 1.55 -4.23 -1.26 -5.06 115.64 101.73 1x4h s THR 13 Ca 0.44 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1x4h s THR 13 Cb 0.39 -0.48 0.44 0.00 1.34 0.00 0.00 72.50 74.19 1x4h s THR 13 CO -0.02 0.01 1.05 -1.84 -0.54 0.00 0.00 174.62 173.28 1x4h n GLU 14 N 3.31 2.45 -1.69 3.99 0.28 -1.26 -4.91 120.64 122.81 1x4h n GLU 14 Ca -0.16 -3.95 -0.34 0.00 -0.16 0.00 0.00 57.16 52.55 1x4h n GLU 14 Cb 0.57 -1.82 0.01 0.00 1.43 0.00 0.00 31.44 31.63 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 -0.32 5.07 2.98 -1.84 0.00 -1.26 -4.89 105.19 104.93 1x4h n GLY 15 Ca 0.26 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.13 2.01 0.10 1.61 1.02 -1.26 -4.90 119.74 115.19 1x4h s LYS 16 Ca 0.55 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1x4h s LYS 16 Cb 0.42 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1x4h s LYS 16 CO -0.31 -0.30 0.03 0.99 -0.92 0.00 0.00 175.35 174.84 1x4h s THR 17 N 1.52 0.14 -0.28 2.17 2.01 -1.26 -4.19 115.64 115.76 1x4h s THR 17 Ca 0.03 -1.87 -0.08 0.00 0.31 0.00 0.00 61.69 60.08 1x4h s THR 17 Cb -0.14 -1.86 0.13 0.00 0.01 0.00 0.00 72.50 70.64 1x4h s THR 17 CO -0.09 -0.65 0.59 0.68 -0.69 0.00 0.00 174.62 174.46 1x4h s VAL 18 N -4.00 -0.91 -0.21 3.82 -7.23 -0.87 -4.05 120.40 106.94 1x4h s VAL 18 Ca 0.18 0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.34 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 -0.02 0.01 -0.04 0.12 -0.31 0.00 0.00 175.10 174.86 1x4h s PHE 19 N 2.82 2.97 -0.06 2.82 5.36 0.86 -0.90 117.98 131.85 1x4h s PHE 19 Ca -0.01 -0.79 -0.12 0.00 -0.96 0.00 0.00 56.93 55.05 1x4h s PHE 19 Cb -0.13 -2.08 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1x4h s PHE 19 CO -0.18 -0.44 0.32 0.42 -1.46 0.00 0.00 175.22 173.87 1x4h s ILE 20 N 1.29 5.21 0.19 3.12 1.09 0.63 -1.20 121.20 131.53 1x4h s ILE 20 Ca 0.03 0.62 0.08 0.00 -1.10 0.00 0.00 60.65 60.29 1x4h s ILE 20 Cb -0.14 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1x4h s ILE 20 CO -0.01 0.56 -0.16 -0.13 -0.10 0.00 0.00 174.94 175.10 1x4h s ARG 21 N -0.82 1.32 -0.94 2.79 0.52 0.11 -1.54 118.95 120.39 1x4h s ARG 21 Ca 0.20 -1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 53.89 1x4h s ARG 21 Cb -0.15 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.09 1x4h s ARG 21 CO 0.09 0.23 0.79 -1.71 0.02 0.00 0.00 175.30 174.72 1x4h n ASN 22 N -0.10 -2.28 -4.86 0.23 5.15 0.19 -2.01 115.26 111.58 1x4h n ASN 22 Ca -0.10 -0.48 -0.32 0.00 -0.60 0.00 0.00 54.58 53.08 1x4h n ASN 22 Cb 0.59 -4.09 -0.06 0.00 -0.53 0.00 0.00 39.78 35.69 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 -5.43 4.12 -0.12 1.20 1.43 0.77 -4.58 118.68 116.07 1x4h s LEU 23 Ca 0.03 1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 54.07 1x4h s LEU 23 Cb -0.01 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1x4h s LEU 23 CO 0.57 -0.14 0.58 -0.55 0.23 0.00 0.00 176.35 177.04 1x4h s SER 24 N -2.27 6.77 0.35 2.29 0.15 -1.26 -4.13 113.70 115.60 1x4h s SER 24 Ca 0.51 0.93 0.13 0.00 0.70 0.00 0.00 55.95 58.22 1x4h s SER 24 Cb -0.11 -2.34 1.11 0.00 -1.71 0.00 0.00 66.02 62.97 1x4h s SER 24 CO 0.19 -0.10 1.57 0.49 1.20 0.00 0.00 173.24 176.58 1x4h n PHE 25 N 4.06 0.95 -0.32 3.44 3.72 -1.26 0.17 117.46 128.21 1x4h n PHE 25 Ca -0.04 1.19 0.04 0.00 -0.05 0.00 0.00 57.45 58.59 1x4h n PHE 25 Cb 0.51 -1.45 0.19 0.00 -0.94 0.00 0.00 39.48 37.79 1x4h n PHE 25 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1x4h h ASP 26 N 0.00 0.80 -1.94 4.37 3.32 -1.98 -3.44 116.42 117.55 1x4h h ASP 26 Ca 0.75 0.04 -0.54 0.00 0.02 0.00 0.00 57.03 57.30 1x4h h ASP 26 Cb 1.85 -0.12 0.22 0.00 0.22 0.00 0.00 39.33 41.50 1x4h h ASP 26 CO -0.83 0.46 -1.66 -0.24 -1.72 0.00 0.00 179.24 175.24 1x4h n SER 27 N -4.67 -5.37 -3.77 6.45 2.88 0.44 -5.00 113.62 104.57 1x4h n SER 27 Ca 0.15 0.28 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 1x4h n SER 27 Cb 0.28 -0.76 -0.12 0.00 -0.75 0.00 0.00 64.21 62.86 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 -1.73 0.22 0.26 -1.46 2.02 -1.26 -5.00 118.70 111.75 1x4h s GLU 28 Ca 0.42 0.37 0.09 0.00 0.02 0.00 0.00 54.97 55.88 1x4h s GLU 28 Cb -0.24 0.03 0.81 0.00 0.10 0.00 0.00 34.13 34.83 1x4h s GLU 28 CO 0.77 -0.08 1.18 -1.91 0.02 0.00 0.00 175.26 175.24 1x4h n GLU 29 N 3.43 -0.05 0.49 1.61 2.13 -1.26 0.31 120.64 127.30 1x4h n GLU 29 Ca -0.17 1.07 -0.19 0.00 0.66 0.00 0.00 57.16 58.53 1x4h n GLU 29 Cb 0.56 -1.82 -0.09 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.21 0.21 5.31 5.08 -1.95 -0.38 114.58 121.63 1x4h h GLU 30 Ca 0.55 0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.99 1x4h h GLU 30 Cb 1.35 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.87 1x4h h GLU 30 CO -0.63 -0.81 -0.14 0.00 -1.00 0.00 0.00 179.01 176.43 1x4h h ALA 31 N -1.38 -0.33 -0.51 3.43 0.00 -0.55 -1.15 119.26 118.77 1x4h h ALA 31 Ca -0.13 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1x4h h ALA 31 Cb 0.96 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1x4h h ALA 31 CO 0.21 -0.69 -0.15 1.25 0.00 0.00 0.00 179.25 179.87 1x4h h LEU 32 N -0.34 -0.53 0.64 0.00 6.46 -0.41 -1.55 115.31 119.57 1x4h h LEU 32 Ca -0.02 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1x4h h LEU 32 Cb 0.29 0.34 0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1x4h h LEU 32 CO 0.01 -0.19 -0.31 1.23 -0.62 0.00 0.00 178.44 178.57 1x4h h GLY 33 N -0.02 -0.89 1.20 3.75 0.00 -0.86 -1.94 103.07 104.30 1x4h h GLY 33 Ca 0.25 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1x4h h GLY 33 CO -0.54 -0.32 0.33 0.83 0.00 0.00 0.00 176.54 176.83 1x4h h GLU 34 N -0.89 0.00 0.00 4.80 5.08 -0.77 0.82 114.58 123.63 1x4h h GLU 34 Ca -0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1x4h h GLU 34 Cb 0.67 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1x4h h GLU 34 CO 0.14 0.00 -1.25 0.28 -1.00 0.00 0.00 179.01 177.19 1x4h h VAL 35 N 0.00 1.06 0.07 3.13 2.07 -0.50 -3.37 116.25 118.71 1x4h h VAL 35 Ca 0.00 -2.73 -0.37 0.00 0.82 0.00 0.00 66.70 64.42 1x4h h VAL 35 Cb 0.65 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 1x4h h VAL 35 CO 0.00 0.60 -2.17 0.18 0.02 0.00 0.00 177.57 176.21 1x4h n LEU 36 N -3.14 2.57 0.27 2.57 4.77 0.25 -4.11 117.00 120.19 1x4h n LEU 36 Ca -0.07 0.09 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1x4h n LEU 36 Cb 0.93 -0.92 0.51 0.00 -2.33 0.00 0.00 43.42 41.62 1x4h n LEU 36 CO 0.45 0.85 0.99 0.06 -1.33 0.00 0.00 177.39 178.40 1x4h h GLN 37 N 0.04 0.00 -0.57 3.23 -0.00 -0.73 -0.11 115.11 116.96 1x4h h GLN 37 Ca -0.48 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.22 1x4h h GLN 37 Cb 1.99 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 29.43 1x4h h GLN 37 CO 0.02 0.00 0.32 -0.56 -0.00 0.00 0.00 178.83 178.61 1x4h h GLN 38 N 0.00 0.59 0.00 0.06 3.07 -1.72 -1.58 115.11 115.53 1x4h h GLN 38 Ca 0.00 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.63 1x4h h GLN 38 Cb 0.89 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.30 1x4h h GLN 38 CO 0.00 0.39 -0.37 0.74 0.09 0.00 0.00 178.83 179.68 1x4h h PHE 39 N 0.61 0.00 0.00 0.06 0.04 -1.29 -3.46 116.94 112.89 1x4h h PHE 39 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1x4h h PHE 39 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1x4h h PHE 39 CO -0.08 0.37 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 1x4h n GLY 40 N 0.62 1.47 3.68 -1.45 0.00 -0.60 -4.72 105.19 104.20 1x4h n GLY 40 Ca 0.01 0.03 -0.59 0.00 0.00 0.00 0.00 46.02 45.47 1x4h n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x4h n ASP 41 N 0.00 2.14 -4.76 1.61 9.92 -1.23 -4.03 116.55 120.19 1x4h n ASP 41 Ca 0.00 1.03 -0.40 0.00 -0.53 0.00 0.00 54.79 54.89 1x4h n ASP 41 Cb 0.00 -1.10 -0.05 0.00 -0.64 0.00 0.00 41.12 39.33 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 3.87 4.50 -0.12 0.64 1.43 -1.26 -1.93 118.68 125.81 1x4h s LEU 42 Ca 1.01 2.18 -0.17 0.00 -1.03 0.00 0.00 54.13 56.13 1x4h s LEU 42 Cb -1.14 -3.72 -0.26 0.00 0.03 0.00 0.00 46.19 41.10 1x4h s LEU 42 CO 0.67 -0.16 0.53 0.50 0.23 0.00 0.00 176.35 178.12 1x4h h LYS 43 N 3.63 0.20 -2.09 1.70 1.63 -0.65 -3.46 116.57 117.53 1x4h h LYS 43 Ca -0.47 -0.35 0.03 0.00 -0.85 0.00 0.00 60.65 59.01 1x4h h LYS 43 Cb 1.21 0.13 -0.22 0.00 -0.60 0.00 0.00 32.23 32.75 1x4h h LYS 43 CO 0.66 1.17 -0.11 1.52 -3.45 0.00 0.00 179.45 179.24 1x4h s TYR 44 N -2.45 -1.14 -0.21 1.91 -0.85 -1.24 -4.99 117.35 108.38 1x4h s TYR 44 Ca -0.21 2.11 -0.01 0.00 -0.52 0.00 0.00 57.07 58.45 1x4h s TYR 44 Cb 0.04 0.66 0.02 0.00 0.38 0.00 0.00 41.96 43.06 1x4h s TYR 44 CO 0.74 -0.58 -0.12 0.54 -1.52 0.00 0.00 175.55 174.62 1x4h s VAL 45 N 2.31 2.59 -0.03 -3.49 0.11 -1.26 -1.38 120.40 119.25 1x4h s VAL 45 Ca -0.07 -0.91 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1x4h s VAL 45 Cb -0.09 -2.21 -0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1x4h s VAL 45 CO -0.18 0.37 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.23 1x4h s ARG 46 N 1.33 1.24 -0.20 1.54 6.06 -0.12 -5.00 118.95 123.80 1x4h s ARG 46 Ca 0.03 -0.45 0.01 0.00 -2.50 0.00 0.00 55.73 52.82 1x4h s ARG 46 Cb -0.15 -1.14 0.03 0.00 0.06 0.00 0.00 34.95 33.75 1x4h s ARG 46 CO -0.08 0.20 -0.16 0.54 -2.50 0.00 0.00 175.30 173.30 1x4h s VAL 47 N -0.00 2.20 0.24 7.11 0.11 -1.26 -0.70 120.40 128.10 1x4h s VAL 47 Ca -0.01 -1.08 -0.31 0.00 -2.93 0.00 0.00 61.98 57.65 1x4h s VAL 47 Cb -0.08 -2.02 -0.11 0.00 -1.53 0.00 0.00 36.38 32.63 1x4h s VAL 47 CO 0.01 0.38 1.57 0.54 -3.33 0.00 0.00 175.10 174.27 1x4h s VAL 48 N 1.26 2.32 0.25 2.04 0.11 -1.24 -5.01 120.40 120.12 1x4h s VAL 48 Ca 0.02 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.38 1x4h s VAL 48 Cb -0.15 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 1x4h s VAL 48 CO -0.10 0.03 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.86 1x4h s LEU 49 N 0.10 2.49 0.38 2.54 1.43 -1.26 -2.99 118.68 121.37 1x4h s LEU 49 Ca 0.65 -1.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 1x4h s LEU 49 Cb -0.46 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.03 1x4h s LEU 49 CO 0.41 -0.29 1.34 1.57 0.23 0.00 0.00 176.35 179.60 1x4h n HIS 50 N -0.50 2.42 0.18 0.29 -0.00 0.79 -4.90 115.22 113.50 1x4h n HIS 50 Ca -0.06 0.51 0.04 0.00 0.46 0.00 0.00 57.72 58.66 1x4h n HIS 50 Cb 0.62 -2.43 0.35 0.00 -0.12 0.00 0.00 29.99 28.41 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 2.49 0.00 0.00 1.57 0.13 -2.00 -3.24 132.00 130.96 1x4h h PRO 51 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1x4h h PRO 51 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1x4h h PRO 51 CO 0.62 0.40 -2.09 -3.47 -0.23 0.00 0.00 178.00 173.23 1x4h n ASP 52 N -3.80 0.91 -4.76 1.44 -0.08 -1.26 -5.02 116.55 103.97 1x4h n ASP 52 Ca -0.01 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.97 1x4h n ASP 52 Cb 0.47 1.03 -0.07 0.00 2.34 0.00 0.00 41.12 44.89 1x4h n ASP 52 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1x4h s THR 53 N -2.51 1.60 -0.36 5.18 -4.23 -1.22 -5.03 115.64 109.06 1x4h s THR 53 Ca -0.08 -1.85 0.14 0.00 -1.18 0.00 0.00 61.69 58.73 1x4h s THR 53 Cb 0.06 -2.44 0.80 0.00 1.34 0.00 0.00 72.50 72.26 1x4h s THR 53 CO 0.69 0.00 1.72 1.21 -0.54 0.00 0.00 174.62 177.70 1x4h n GLU 54 N -1.31 4.74 -1.88 3.99 2.13 -1.26 -3.46 120.64 123.58 1x4h n GLU 54 Ca -0.10 -3.09 -0.29 0.00 0.66 0.00 0.00 57.16 54.34 1x4h n GLU 54 Cb 0.66 -2.22 0.13 0.00 0.27 0.00 0.00 31.44 30.28 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1x4h s HIS 55 N -2.64 2.36 0.12 4.31 3.76 -1.26 -4.77 115.29 117.16 1x4h s HIS 55 Ca 0.54 0.58 0.11 0.00 -0.15 0.00 0.00 55.06 56.13 1x4h s HIS 55 Cb 0.40 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 30.31 1x4h s HIS 55 CO 0.17 -2.18 -0.26 0.45 -0.85 0.00 0.00 174.74 172.06 1x4h s SER 56 N -4.67 3.23 -0.25 1.40 0.15 -1.26 -0.15 113.70 112.15 1x4h s SER 56 Ca 0.67 -0.73 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1x4h s SER 56 Cb -0.08 -0.22 0.13 0.00 -1.71 0.00 0.00 66.02 64.14 1x4h s SER 56 CO 0.51 0.17 2.19 0.29 1.20 0.00 0.00 173.24 177.61 1x4h n LYS 57 N 0.99 1.72 -2.83 5.44 4.01 -1.16 -4.79 118.16 121.54 1x4h n LYS 57 Ca -0.18 -1.31 -0.09 0.00 -0.51 0.00 0.00 58.31 56.22 1x4h n LYS 57 Cb 0.53 -1.57 -0.01 0.00 -0.51 0.00 0.00 35.03 33.46 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x4h n GLY 58 N 0.76 -0.49 3.33 0.72 0.00 -1.26 -4.83 105.19 103.43 1x4h n GLY 58 Ca 0.27 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.07 -1.43 -0.09 0.00 0.00 -0.59 -3.68 121.76 113.90 1x4h s ALA 60 Ca -0.08 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.70 1x4h s ALA 60 Cb -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1x4h s ALA 60 CO 0.01 -0.46 -0.20 -0.06 0.00 0.00 0.00 175.76 175.05 1x4h s PHE 61 N -2.03 2.62 0.30 0.00 0.40 0.13 -0.27 117.98 119.13 1x4h s PHE 61 Ca -0.07 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 55.54 1x4h s PHE 61 Cb -0.01 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1x4h s PHE 61 CO 0.02 -0.24 0.16 0.00 0.70 0.00 0.00 175.22 175.86 1x4h s ALA 62 N 0.09 1.92 0.01 5.36 0.00 -0.08 -0.94 121.76 128.12 1x4h s ALA 62 Ca -0.09 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1x4h s ALA 62 Cb -0.15 1.16 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 1x4h s ALA 62 CO 0.06 -0.51 -0.02 -1.14 0.00 0.00 0.00 175.76 174.14 1x4h s GLN 63 N -3.83 0.22 0.43 0.00 0.74 -0.48 -2.05 119.66 114.69 1x4h s GLN 63 Ca 0.36 -0.42 0.08 0.00 0.05 0.00 0.00 55.36 55.43 1x4h s GLN 63 Cb 0.05 0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 1x4h s GLN 63 CO 0.17 -0.03 0.42 -0.06 -0.55 0.00 0.00 175.29 175.25 1x4h s PHE 64 N -0.99 2.58 0.01 1.67 0.40 -1.26 -0.00 117.98 120.38 1x4h s PHE 64 Ca -0.11 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1x4h s PHE 64 Cb -0.07 -2.18 -0.24 0.00 0.51 0.00 0.00 43.02 41.04 1x4h s PHE 64 CO -0.01 -0.23 0.86 0.52 0.70 0.00 0.00 175.22 177.06 1x4h h MET 65 N 0.92 0.09 -5.30 0.44 2.86 -1.67 -3.40 114.93 108.87 1x4h h MET 65 Ca -0.40 -0.15 -0.44 0.00 -2.06 0.00 0.00 59.70 56.65 1x4h h MET 65 Cb 1.27 0.05 -0.25 0.00 0.06 0.00 0.00 31.60 32.74 1x4h h MET 65 CO 0.55 0.84 -0.79 0.95 1.06 0.00 0.00 176.91 179.52 1x4h s THR 66 N -2.63 1.10 0.16 2.22 -4.23 -1.26 -5.05 115.64 105.95 1x4h s THR 66 Ca -0.05 -0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 1x4h s THR 66 Cb 0.08 -0.99 0.09 0.00 1.34 0.00 0.00 72.50 73.02 1x4h s THR 66 CO 0.83 0.01 1.67 1.56 -0.54 0.00 0.00 174.62 178.14 1x4h h GLN 67 N 4.95 -0.01 -0.98 3.99 4.20 -1.90 -0.34 115.11 125.02 1x4h h GLN 67 Ca -0.38 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.53 1x4h h GLN 67 Cb 1.18 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 1x4h h GLN 67 CO 0.44 -0.01 0.61 1.49 -0.67 0.00 0.00 178.83 180.70 1x4h h GLU 68 N -0.01 0.64 0.11 1.46 4.57 -1.98 -2.02 114.58 117.35 1x4h h GLU 68 Ca 0.19 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1x4h h GLU 68 Cb 0.29 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1x4h h GLU 68 CO -0.41 0.42 -0.47 0.00 -1.18 0.00 0.00 179.01 177.38 1x4h h ALA 69 N 1.63 -0.84 -0.19 2.92 0.00 -1.34 0.19 119.26 121.62 1x4h h ALA 69 Ca 0.54 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1x4h h ALA 69 Cb 0.98 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1x4h h ALA 69 CO -0.31 -1.04 -0.22 0.00 0.00 0.00 0.00 179.25 177.67 1x4h h ALA 70 N -0.31 -0.14 -1.00 0.00 0.00 -1.33 -1.12 119.26 115.37 1x4h h ALA 70 Ca 0.01 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1x4h h ALA 70 Cb 0.72 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1x4h h ALA 70 CO -0.27 -0.66 0.63 1.96 0.00 0.00 0.00 179.25 180.91 1x4h h GLN 71 N -0.25 1.00 -0.07 0.00 1.08 -1.19 0.49 115.11 116.18 1x4h h GLN 71 Ca 0.12 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1x4h h GLN 71 Cb 0.43 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1x4h h GLN 71 CO -0.34 0.66 -0.06 0.87 -0.95 0.00 0.00 178.83 179.02 1x4h h LYS 72 N 1.03 0.10 -0.09 1.46 1.57 0.58 -2.30 116.57 118.92 1x4h h LYS 72 Ca 0.48 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 59.02 1x4h h LYS 72 Cb 0.42 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1x4h h LYS 72 CO -0.24 0.16 -0.86 0.00 -0.57 0.00 0.00 179.45 177.94 1x4h h LEU 74 N 0.44 -0.64 -1.68 0.00 3.38 -0.83 0.59 115.31 116.56 1x4h h LEU 74 Ca -0.07 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.30 1x4h h LEU 74 Cb 1.49 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 1x4h h LEU 74 CO 0.17 -0.44 1.12 0.00 0.09 0.00 0.00 178.44 179.39 1x4h h ALA 75 N -1.62 3.21 0.00 1.53 0.00 -1.62 1.76 119.26 122.53 1x4h h ALA 75 Ca -0.07 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1x4h h ALA 75 Cb 0.55 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1x4h h ALA 75 CO 0.10 -1.80 -1.67 0.00 0.00 0.00 0.00 179.25 175.88 1x4h n ALA 76 N -2.60 1.74 0.08 0.00 0.00 -0.90 -4.15 120.51 114.69 1x4h n ALA 76 Ca 0.29 -0.73 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 1x4h n ALA 76 Cb 1.53 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 1x4h n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4h h ALA 77 N 1.22 0.41 -1.98 0.00 0.00 0.81 -2.89 119.26 116.84 1x4h h ALA 77 Ca -0.25 -0.74 -0.59 0.00 0.00 0.00 0.00 54.91 53.33 1x4h h ALA 77 Cb 1.82 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 1x4h h ALA 77 CO 0.06 0.90 0.68 0.45 0.00 0.00 0.00 179.25 181.33 1x4h s SER 78 N -7.00 6.71 0.35 0.00 0.15 0.79 -3.99 113.70 110.72 1x4h s SER 78 Ca -0.04 0.64 0.07 0.00 0.70 0.00 0.00 55.95 57.32 1x4h s SER 78 Cb 0.09 -2.49 0.77 0.00 -1.71 0.00 0.00 66.02 62.68 1x4h s SER 78 CO 0.85 -0.91 1.91 0.17 1.20 0.00 0.00 173.24 176.45 1x4h h LEU 79 N 10.22 0.68 -0.34 3.45 -0.00 -1.83 -1.74 115.31 125.74 1x4h h LEU 79 Ca -0.23 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1x4h h LEU 79 Cb 1.07 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 1x4h h LEU 79 CO 1.01 0.39 0.20 1.05 -0.00 0.00 0.00 178.44 181.09 1x4h h GLU 80 N 0.74 0.46 -6.67 0.17 4.11 -1.91 -3.40 114.58 108.08 1x4h h GLU 80 Ca 0.39 -0.04 -0.58 0.00 0.07 0.00 0.00 59.36 59.20 1x4h h GLU 80 Cb 0.51 -0.10 0.13 0.00 0.50 0.00 0.00 28.75 29.80 1x4h h GLU 80 CO -0.16 0.35 0.18 0.00 0.07 0.00 0.00 179.01 179.45 1x4h n ALA 81 N -2.21 0.25 -1.61 1.06 0.00 -0.65 -4.85 120.51 112.49 1x4h n ALA 81 Ca -0.01 0.21 -0.45 0.00 0.00 0.00 0.00 53.44 53.20 1x4h n ALA 81 Cb 0.05 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 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 0.05 1.50 0.00 0.00 0.28 -1.26 -3.20 120.64 118.02 1x4h n GLU 82 Ca 0.09 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1x4h n GLU 82 Cb 0.40 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 31.28 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 1.42 2.43 0.00 -1.84 0.00 -1.26 -4.80 105.19 101.14 1x4h n GLY 83 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1x4h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4h n GLY 84 N 0.00 -0.17 3.36 -0.02 0.00 -1.19 -5.14 105.19 102.02 1x4h n GLY 84 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 1.49 0.29 -0.02 0.00 -1.25 -4.07 107.32 103.77 1x4h s GLY 85 Ca 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 44.72 43.03 1x4h s GLY 85 CO 0.00 -1.59 0.70 1.08 0.00 0.00 0.00 173.10 173.30 1x4h s LEU 86 N -2.70 4.12 -0.08 0.66 1.02 -1.09 -4.97 118.68 115.64 1x4h s LEU 86 Ca 0.17 1.24 -0.03 0.00 0.02 0.00 0.00 54.13 55.53 1x4h s LEU 86 Cb -0.06 -3.95 0.04 0.00 0.02 0.00 0.00 46.19 42.24 1x4h s LEU 86 CO 0.08 -0.15 0.17 -0.54 0.02 0.00 0.00 176.35 175.93 1x4h s LYS 87 N -2.82 0.10 -0.34 1.70 1.02 -1.26 -1.38 119.74 116.77 1x4h s LYS 87 Ca 0.52 0.46 0.03 0.00 0.02 0.00 0.00 55.97 57.00 1x4h s LYS 87 Cb -0.11 -0.18 0.10 0.00 -0.52 0.00 0.00 37.83 37.11 1x4h s LYS 87 CO 0.18 -0.20 0.04 -1.17 -0.92 0.00 0.00 175.35 173.29 1x4h s LEU 88 N 1.48 4.64 -0.46 3.17 2.96 -0.44 -4.69 118.68 125.33 1x4h s LEU 88 Ca -0.06 -2.05 -0.03 0.00 -0.22 0.00 0.00 54.13 51.77 1x4h s LEU 88 Cb -0.11 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1x4h s LEU 88 CO -0.07 -0.37 0.40 -0.67 -1.32 0.00 0.00 176.35 174.33 1x4h n ASP 89 N 4.30 -3.35 -1.91 3.68 2.03 -1.26 -3.52 116.55 116.52 1x4h n ASP 89 Ca 0.01 -0.19 -0.12 0.00 0.52 0.00 0.00 54.79 55.01 1x4h n ASP 89 Cb 0.42 -2.07 0.03 0.00 -0.72 0.00 0.00 41.12 38.78 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 -1.03 0.09 2.80 0.27 0.00 -1.26 -5.01 105.19 101.05 1x4h n GLY 90 Ca -0.01 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.40 0.01 0.07 1.61 0.52 -1.23 -5.12 118.95 109.41 1x4h s ARG 91 Ca 0.23 0.50 -0.31 0.00 -0.52 0.00 0.00 55.73 55.63 1x4h s ARG 91 Cb -0.10 -0.33 -0.09 0.00 0.52 0.00 0.00 34.95 34.95 1x4h s ARG 91 CO 0.28 -0.30 1.79 -1.14 0.02 0.00 0.00 175.30 175.95 1x4h s GLN 92 N 2.17 4.16 -0.19 3.54 -0.44 -1.26 -1.33 119.66 126.30 1x4h s GLN 92 Ca 0.03 2.49 -0.20 0.00 -2.50 0.00 0.00 55.36 55.17 1x4h s GLN 92 Cb -0.12 -3.75 -0.03 0.00 -1.64 0.00 0.00 33.01 27.48 1x4h s GLN 92 CO -0.05 -0.83 0.61 -0.51 0.50 0.00 0.00 175.29 175.01 1x4h s LEU 93 N 3.18 4.15 -0.46 3.68 1.43 -0.48 -4.64 118.68 125.54 1x4h s LEU 93 Ca 0.80 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 1x4h s LEU 93 Cb -0.42 -2.87 0.09 0.00 0.03 0.00 0.00 46.19 43.02 1x4h s LEU 93 CO 0.36 -0.25 0.33 -0.54 0.23 0.00 0.00 176.35 176.48 1x4h s LYS 94 N 1.81 2.70 -0.20 1.70 1.02 -0.85 -4.60 119.74 121.31 1x4h s LYS 94 Ca 0.28 -1.53 -0.08 0.00 0.02 0.00 0.00 55.97 54.66 1x4h s LYS 94 Cb -0.16 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.17 1x4h s LYS 94 CO 0.10 -1.07 0.07 0.08 -0.92 0.00 0.00 175.35 173.62 1x4h s VAL 95 N 1.48 4.72 0.01 3.17 1.01 -1.25 0.09 120.40 129.64 1x4h s VAL 95 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1x4h s VAL 95 Cb -0.25 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1x4h s VAL 95 CO 0.02 0.42 -0.03 -0.62 0.00 0.00 0.00 175.10 174.89 1x4h s ASP 96 N 0.75 0.34 -0.50 3.32 2.15 -0.34 -4.70 116.67 117.69 1x4h s ASP 96 Ca 0.04 -0.28 -0.26 0.00 0.43 0.00 0.00 52.55 52.48 1x4h s ASP 96 Cb -0.13 0.03 -0.06 0.00 -0.30 0.00 0.00 42.92 42.46 1x4h s ASP 96 CO 0.02 -0.12 2.29 -0.22 -0.17 0.00 0.00 175.17 176.97 1x4h s LEU 97 N -0.78 3.39 0.00 -1.34 1.98 -1.26 -0.10 118.68 120.57 1x4h s LEU 97 Ca -0.07 0.97 -0.06 0.00 -2.89 0.00 0.00 54.13 52.09 1x4h s LEU 97 Cb -0.05 -2.56 0.11 0.00 0.66 0.00 0.00 46.19 44.35 1x4h s LEU 97 CO -0.00 -2.75 0.65 0.00 -1.89 0.00 0.00 176.35 172.36 1x4h n ALA 98 N 15.13 -0.46 -3.73 5.97 0.00 -1.26 -4.92 120.51 131.24 1x4h n ALA 98 Ca 0.33 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 1x4h n ALA 98 Cb 0.54 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.18 -0.10 -0.34 0.00 1.01 -1.26 -4.52 120.40 112.99 1x4h s VAL 99 Ca 0.39 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 1x4h s VAL 99 Cb -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1x4h s VAL 99 CO 0.27 0.09 0.77 -0.89 0.00 0.00 0.00 175.10 175.34 1x4h s THR 100 N 1.46 4.76 0.29 3.92 2.01 -1.26 -5.01 115.64 121.82 1x4h s THR 100 Ca -0.06 0.95 -0.14 0.00 0.31 0.00 0.00 61.69 62.76 1x4h s THR 100 Cb -0.12 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1x4h s THR 100 CO -0.06 -0.36 0.58 0.00 -0.69 0.00 0.00 174.62 174.09 1x4h s ARG 101 N 3.02 1.76 -0.36 4.92 1.70 -1.26 -5.10 118.95 123.63 1x4h s ARG 101 Ca 0.31 -1.28 -0.32 0.00 -0.47 0.00 0.00 55.73 53.97 1x4h s ARG 101 Cb -0.14 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 1x4h s ARG 101 CO 0.15 -0.77 2.25 -3.47 -1.08 0.00 0.00 175.30 172.39 1x4h n ASP 102 N -0.68 2.36 -2.36 -2.89 2.03 -1.26 -4.82 116.55 108.92 1x4h n ASP 102 Ca -0.03 0.23 -0.23 0.00 0.52 0.00 0.00 54.79 55.28 1x4h n ASP 102 Cb 0.61 -1.36 -0.09 0.00 -0.72 0.00 0.00 41.12 39.55 1x4h n ASP 102 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x4h n GLU 103 N 8.47 2.34 -2.98 -0.67 4.71 -1.26 -4.85 120.64 126.39 1x4h n GLU 103 Ca 0.39 -1.94 -0.44 0.00 -0.01 0.00 0.00 57.16 55.16 1x4h n GLU 103 Cb 0.32 -2.12 -0.02 0.00 -1.01 0.00 0.00 31.44 28.61 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x4h s ALA 104 N -0.79 3.46 -0.51 0.62 0.00 -1.26 -4.94 121.76 118.34 1x4h s ALA 104 Ca 0.62 -2.83 0.03 0.00 0.00 0.00 0.00 51.96 49.78 1x4h s ALA 104 Cb 0.36 -3.97 0.14 0.00 0.00 0.00 0.00 23.12 19.64 1x4h s ALA 104 CO -0.15 -2.88 0.29 0.00 0.00 0.00 0.00 175.76 173.02 1x4h s ALA 105 N 2.35 2.90 -0.08 0.00 0.00 -1.26 -5.10 121.76 120.57 1x4h s ALA 105 Ca 0.30 -3.08 -0.12 0.00 0.00 0.00 0.00 51.96 49.06 1x4h s ALA 105 Cb -0.06 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1x4h s ALA 105 CO -0.09 -2.04 0.29 -1.12 0.00 0.00 0.00 175.76 172.79 1x4h s SER 106 N -0.21 6.57 -0.41 0.00 0.01 -1.26 -4.66 113.70 113.74 1x4h s SER 106 Ca 0.19 0.67 -0.34 0.00 1.31 0.00 0.00 55.95 57.78 1x4h s SER 106 Cb -0.22 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 63.89 1x4h s SER 106 CO -0.03 0.29 0.61 0.61 0.41 0.00 0.00 173.24 175.13 1x4h n GLY 107 N 2.32 -0.02 3.77 3.44 0.00 -1.26 -4.87 105.19 108.56 1x4h n GLY 107 Ca -0.15 1.09 -0.40 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.35 4.40 0.00 1.61 0.04 -1.26 -4.93 135.00 132.51 1x4h s PRO 108 Ca 0.34 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1x4h s PRO 108 Cb -0.04 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1x4h s PRO 108 CO 0.80 -0.08 0.00 0.43 0.04 0.00 0.00 177.00 178.19 1x4h n SER 109 N 0.82 0.31 -4.57 6.66 7.64 -1.26 -4.97 113.62 118.26 1x4h n SER 109 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1x4h n SER 109 Cb 0.43 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1x4h n SER 109 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4h s SER 110 N -4.56 5.99 0.00 6.43 0.01 -1.26 -5.32 113.70 114.99 1x4h s SER 110 Ca 0.00 -1.59 0.09 0.00 1.31 0.00 0.00 55.95 55.75 1x4h s SER 110 Cb 0.00 -2.57 0.51 0.00 0.21 0.00 0.00 66.02 64.16 1x4h s SER 110 CO 0.00 -2.01 0.96 0.61 0.41 0.00 0.00 173.24 173.21