#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 -0.71 0.08 1.61 0.01 -1.26 -5.17 113.70 108.26 1x4h s SER 2 Ca 0.00 1.27 -0.13 0.00 1.31 0.00 0.00 55.95 58.40 1x4h s SER 2 Cb 0.00 1.22 0.02 0.00 0.21 0.00 0.00 66.02 67.46 1x4h s SER 2 CO 0.00 -0.22 0.30 -0.94 0.41 0.00 0.00 173.24 172.79 1x4h s SER 3 N 0.90 -0.09 0.00 2.44 1.04 -1.26 -5.16 113.70 111.57 1x4h s SER 3 Ca -0.05 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1x4h s SER 3 Cb -0.05 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x4h s SER 3 CO -0.08 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1x4h n GLY 4 N 0.14 4.05 2.88 7.32 0.00 -1.26 -5.15 105.19 113.16 1x4h n GLY 4 Ca -0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1x4h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4h s SER 5 N 1.32 0.80 -0.54 1.61 1.04 -1.26 -5.10 113.70 111.57 1x4h s SER 5 Ca 0.00 0.21 -0.27 0.00 0.48 0.00 0.00 55.95 56.36 1x4h s SER 5 Cb 0.00 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1x4h s SER 5 CO 0.00 -0.28 1.66 -0.55 0.98 0.00 0.00 173.24 175.05 1x4h s SER 6 N 2.38 5.75 -0.50 7.02 0.15 -1.26 -4.92 113.70 122.32 1x4h s SER 6 Ca 0.05 0.48 0.03 0.00 0.70 0.00 0.00 55.95 57.21 1x4h s SER 6 Cb -0.14 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.79 1x4h s SER 6 CO -0.10 -1.97 0.33 -0.83 1.20 0.00 0.00 173.24 171.87 1x4h s GLY 7 N 6.14 1.87 -0.04 9.45 0.00 -1.26 -5.11 107.32 118.37 1x4h s GLY 7 Ca 0.63 -2.87 -0.07 0.00 0.00 0.00 0.00 44.72 42.41 1x4h s GLY 7 CO 0.25 1.58 0.22 1.08 0.00 0.00 0.00 173.10 176.23 1x4h s LEU 8 N -0.18 4.39 0.00 0.66 1.43 -1.26 -4.98 118.68 118.73 1x4h s LEU 8 Ca 0.23 0.52 0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1x4h s LEU 8 Cb -0.12 -2.46 0.66 0.00 0.03 0.00 0.00 46.19 44.31 1x4h s LEU 8 CO -0.09 0.31 1.44 -0.81 0.23 0.00 0.00 176.35 177.43 1x4h n PRO 9 N 1.42 0.08 -1.03 1.29 -0.04 -1.26 -4.88 135.00 130.59 1x4h n PRO 9 Ca -0.14 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 1x4h n PRO 9 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1x4h n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4h n SER 10 N -1.42 -2.03 -4.71 3.54 7.64 -1.26 -4.94 113.62 110.44 1x4h n SER 10 Ca 0.05 0.68 -0.24 0.00 1.01 0.00 0.00 58.87 60.36 1x4h n SER 10 Cb 0.15 -0.70 0.10 0.00 -1.01 0.00 0.00 64.21 62.75 1x4h n SER 10 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x4h s ASP 11 N -0.78 4.44 -0.20 6.43 1.01 -1.26 -5.05 116.67 121.25 1x4h s ASP 11 Ca 0.47 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.69 1x4h s ASP 11 Cb -0.54 -0.39 -0.15 0.00 1.01 0.00 0.00 42.92 42.85 1x4h s ASP 11 CO 0.48 -1.80 -0.15 0.55 0.21 0.00 0.00 175.17 174.46 1x4h n VAL 12 N -2.88 1.20 -3.30 -1.27 3.14 -1.26 -4.89 118.33 109.07 1x4h n VAL 12 Ca 0.13 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.58 1x4h n VAL 12 Cb 0.60 -1.14 -0.08 0.00 -1.06 0.00 0.00 33.84 32.16 1x4h n VAL 12 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1x4h s THR 13 N -2.42 5.06 -1.16 1.55 2.01 -1.26 -5.00 115.64 114.41 1x4h s THR 13 Ca -0.25 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1x4h s THR 13 Cb 0.07 -4.02 0.19 0.00 0.01 0.00 0.00 72.50 68.75 1x4h s THR 13 CO 0.52 -0.38 1.33 -1.61 -0.69 0.00 0.00 174.62 173.79 1x4h s GLU 14 N 2.23 4.08 -0.27 4.92 2.02 -1.26 -4.74 118.70 125.68 1x4h s GLU 14 Ca 0.14 -2.68 0.15 0.00 0.02 0.00 0.00 54.97 52.60 1x4h s GLU 14 Cb -0.16 -4.93 0.48 0.00 0.10 0.00 0.00 34.13 29.62 1x4h s GLU 14 CO 0.14 -1.64 1.15 0.41 0.02 0.00 0.00 175.26 175.34 1x4h n GLY 15 N 3.87 4.09 3.09 -1.39 0.00 -1.26 -5.03 105.19 108.56 1x4h n GLY 15 Ca 0.33 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.69 2.74 0.09 1.61 1.02 -1.26 -4.95 119.74 115.29 1x4h s LYS 16 Ca 0.39 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 1x4h s LYS 16 Cb 0.37 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1x4h s LYS 16 CO -0.00 -0.27 0.01 0.99 -0.92 0.00 0.00 175.35 175.16 1x4h s THR 17 N 1.31 0.17 -0.23 2.17 2.01 -1.26 -3.94 115.64 115.87 1x4h s THR 17 Ca 0.03 -1.86 -0.08 0.00 0.31 0.00 0.00 61.69 60.09 1x4h s THR 17 Cb -0.14 -1.76 0.10 0.00 0.01 0.00 0.00 72.50 70.71 1x4h s THR 17 CO -0.11 -0.76 0.49 0.68 -0.69 0.00 0.00 174.62 174.23 1x4h s VAL 18 N -3.98 -0.72 -0.23 3.82 -7.23 -0.33 -4.04 120.40 107.69 1x4h s VAL 18 Ca 0.15 0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.40 1x4h s VAL 18 Cb 0.08 -0.77 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1x4h s VAL 18 CO -0.05 0.05 -0.05 0.12 -0.31 0.00 0.00 175.10 174.86 1x4h s PHE 19 N 2.64 2.98 -0.13 2.82 5.36 0.11 -0.07 117.98 131.69 1x4h s PHE 19 Ca -0.03 -1.10 -0.14 0.00 -0.96 0.00 0.00 56.93 54.70 1x4h s PHE 19 Cb -0.12 -2.09 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1x4h s PHE 19 CO -0.15 -0.60 0.32 0.42 -1.46 0.00 0.00 175.22 173.76 1x4h s ILE 20 N 1.44 5.26 0.30 3.12 1.09 0.71 -1.16 121.20 131.97 1x4h s ILE 20 Ca 0.05 0.62 0.11 0.00 -1.10 0.00 0.00 60.65 60.33 1x4h s ILE 20 Cb -0.15 -3.65 -0.05 0.00 -1.06 0.00 0.00 42.46 37.55 1x4h s ILE 20 CO -0.04 0.43 -0.12 -0.13 -0.10 0.00 0.00 174.94 174.98 1x4h s ARG 21 N 0.12 1.85 -0.97 2.79 0.52 0.81 -1.23 118.95 122.83 1x4h s ARG 21 Ca 0.19 -1.77 -0.01 0.00 -0.52 0.00 0.00 55.73 53.62 1x4h s ARG 21 Cb -0.14 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1x4h s ARG 21 CO 0.06 0.26 0.82 -1.71 0.02 0.00 0.00 175.30 174.75 1x4h n ASN 22 N -0.75 -2.45 -4.83 0.23 5.15 -1.13 -1.71 115.26 109.77 1x4h n ASN 22 Ca -0.05 -0.49 -0.34 0.00 -0.60 0.00 0.00 54.58 53.10 1x4h n ASN 22 Cb 0.61 -4.19 -0.06 0.00 -0.53 0.00 0.00 39.78 35.61 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 -5.55 4.19 0.17 1.20 1.43 1.00 -4.60 118.68 116.52 1x4h s LEU 23 Ca 0.06 1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 54.31 1x4h s LEU 23 Cb -0.02 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 1x4h s LEU 23 CO 0.58 -0.10 0.67 -0.55 0.23 0.00 0.00 176.35 177.18 1x4h s SER 24 N -1.99 7.07 0.59 2.29 0.15 -1.26 -4.74 113.70 115.80 1x4h s SER 24 Ca 0.49 1.36 0.29 0.00 0.70 0.00 0.00 55.95 58.79 1x4h s SER 24 Cb -0.13 -2.40 1.47 0.00 -1.71 0.00 0.00 66.02 63.25 1x4h s SER 24 CO 0.19 0.12 1.89 -0.26 1.20 0.00 0.00 173.24 176.38 1x4h h PHE 25 N 3.79 0.00 -0.01 3.44 0.04 -1.97 0.42 116.94 122.65 1x4h h PHE 25 Ca -0.48 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.10 1x4h h PHE 25 Cb 1.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 1x4h h PHE 25 CO 0.65 0.00 -0.82 0.22 -0.60 0.00 0.00 178.31 177.76 1x4h h ASP 26 N 0.00 0.27 -2.96 2.17 1.82 -1.96 -3.45 116.42 112.31 1x4h h ASP 26 Ca 0.23 -0.20 -0.54 0.00 -0.39 0.00 0.00 57.03 56.12 1x4h h ASP 26 Cb 1.22 -0.08 0.22 0.00 0.68 0.00 0.00 39.33 41.36 1x4h h ASP 26 CO -0.00 0.97 -0.94 -0.24 -1.61 0.00 0.00 179.24 177.43 1x4h n SER 27 N -3.71 -3.16 -3.50 2.28 2.88 0.15 -5.02 113.62 103.54 1x4h n SER 27 Ca -0.03 0.32 -0.13 0.00 -1.33 0.00 0.00 58.87 57.70 1x4h n SER 27 Cb 0.77 -1.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.02 1.78 0.18 -1.46 2.02 -1.26 -4.97 118.70 111.97 1x4h s GLU 28 Ca 0.53 -1.60 -0.02 0.00 0.02 0.00 0.00 54.97 53.90 1x4h s GLU 28 Cb -0.22 0.45 0.08 0.00 0.10 0.00 0.00 34.13 34.54 1x4h s GLU 28 CO 0.71 -0.73 1.46 1.49 0.02 0.00 0.00 175.26 178.21 1x4h h GLU 29 N 2.18 0.46 -0.06 1.61 4.81 -1.95 0.56 114.58 122.20 1x4h h GLU 29 Ca -0.28 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.58 1x4h h GLU 29 Cb 1.24 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1x4h h GLU 29 CO 0.39 0.96 -0.06 1.49 -0.73 0.00 0.00 179.01 181.07 1x4h h GLU 30 N 0.33 0.14 0.02 1.92 4.81 -1.97 -2.60 114.58 117.23 1x4h h GLU 30 Ca -0.02 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1x4h h GLU 30 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1x4h h GLU 30 CO 0.12 0.58 -0.01 0.00 -0.73 0.00 0.00 179.01 178.97 1x4h h ALA 31 N 0.55 -0.03 -0.20 2.92 0.00 -1.97 -2.28 119.26 118.26 1x4h h ALA 31 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1x4h h ALA 31 Cb 0.56 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1x4h h ALA 31 CO 0.01 -0.26 -0.52 1.25 0.00 0.00 0.00 179.25 179.73 1x4h h LEU 32 N -0.53 -1.67 -0.30 0.00 6.46 -0.98 -1.69 115.31 116.59 1x4h h LEU 32 Ca -0.00 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1x4h h LEU 32 Cb 0.51 0.67 -0.03 0.00 -0.73 0.00 0.00 40.66 41.07 1x4h h LEU 32 CO 0.00 -0.46 0.10 1.23 -0.62 0.00 0.00 178.44 178.69 1x4h h GLY 33 N -0.53 0.37 1.27 3.75 0.00 -1.56 -0.70 103.07 105.68 1x4h h GLY 33 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x4h h GLY 33 CO -0.47 0.02 0.36 0.83 0.00 0.00 0.00 176.54 177.29 1x4h h GLU 34 N 0.23 0.00 0.08 4.80 4.39 -0.77 0.31 114.58 123.62 1x4h h GLU 34 Ca 0.14 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.70 1x4h h GLU 34 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1x4h h GLU 34 CO -0.15 0.00 -0.62 0.28 -1.16 0.00 0.00 179.01 177.37 1x4h h VAL 35 N 0.00 1.53 0.00 3.13 2.07 -0.24 -3.34 116.25 119.39 1x4h h VAL 35 Ca 0.00 -2.44 -0.11 0.00 0.82 0.00 0.00 66.70 64.97 1x4h h VAL 35 Cb 0.73 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 1x4h h VAL 35 CO -0.00 0.65 -0.54 -0.07 0.02 0.00 0.00 177.57 177.63 1x4h h LEU 36 N -0.63 0.00 -1.79 2.57 3.38 -0.82 -3.14 115.31 114.88 1x4h h LEU 36 Ca -0.12 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.02 1x4h h LEU 36 Cb 1.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 1x4h h LEU 36 CO 0.07 0.54 0.48 1.56 0.09 0.00 0.00 178.44 181.18 1x4h h GLN 37 N 0.00 0.19 -1.00 1.13 4.20 -0.60 -0.37 115.11 118.67 1x4h h GLN 37 Ca -0.01 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.85 1x4h h GLN 37 Cb 1.16 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 1x4h h GLN 37 CO 0.07 0.13 0.62 -0.56 -0.67 0.00 0.00 178.83 178.42 1x4h h GLN 38 N 0.20 0.84 -0.15 1.46 3.07 -1.68 -1.17 115.11 117.67 1x4h h GLN 38 Ca 0.34 -0.05 -0.23 0.00 0.09 0.00 0.00 58.65 58.80 1x4h h GLN 38 Cb 1.06 -0.19 0.01 0.00 0.08 0.00 0.00 27.48 28.44 1x4h h GLN 38 CO -0.06 0.56 -0.79 0.74 0.09 0.00 0.00 178.83 179.37 1x4h h PHE 39 N 0.87 1.08 -1.14 0.06 0.04 -1.28 -3.48 116.94 113.08 1x4h h PHE 39 Ca 0.53 -0.48 0.29 0.00 2.80 0.00 0.00 57.97 61.11 1x4h h PHE 39 Cb 0.69 -0.17 -0.22 0.00 2.20 0.00 0.00 35.95 38.46 1x4h h PHE 39 CO -0.00 1.32 0.94 0.20 -0.60 0.00 0.00 178.31 180.16 1x4h s GLY 40 N -4.12 -0.16 0.36 -1.45 0.00 -0.44 -4.87 107.32 96.64 1x4h s GLY 40 Ca -0.10 2.05 -0.24 0.00 0.00 0.00 0.00 44.72 46.43 1x4h s GLY 40 CO 0.91 0.72 0.50 1.22 0.00 0.00 0.00 173.10 176.46 1x4h n ASP 41 N 0.10 -1.09 -4.26 1.64 8.00 -1.26 -4.12 116.55 115.57 1x4h n ASP 41 Ca 0.03 0.96 -0.37 0.00 0.71 0.00 0.00 54.79 56.12 1x4h n ASP 41 Cb 0.57 -1.06 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 1x4h n ASP 41 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x4h s LEU 42 N 2.33 4.03 0.09 0.64 1.43 -1.26 -2.93 118.68 123.02 1x4h s LEU 42 Ca 0.62 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1x4h s LEU 42 Cb -0.68 -1.82 -0.13 0.00 0.03 0.00 0.00 46.19 43.59 1x4h s LEU 42 CO 0.59 -0.27 1.65 0.50 0.23 0.00 0.00 176.35 179.05 1x4h h LYS 43 N 8.16 -0.55 -2.60 1.70 1.63 -1.47 -3.44 116.57 120.00 1x4h h LYS 43 Ca -0.25 0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.48 1x4h h LYS 43 Cb 1.09 0.12 -0.26 0.00 -0.60 0.00 0.00 32.23 32.58 1x4h h LYS 43 CO 0.59 -0.36 -0.27 1.52 -3.45 0.00 0.00 179.45 177.47 1x4h s TYR 44 N -6.07 -0.63 -0.26 1.91 -0.85 -1.25 -5.01 117.35 105.18 1x4h s TYR 44 Ca -0.16 1.34 0.01 0.00 -0.52 0.00 0.00 57.07 57.74 1x4h s TYR 44 Cb 0.06 0.29 0.05 0.00 0.38 0.00 0.00 41.96 42.73 1x4h s TYR 44 CO 0.64 -0.35 -0.09 0.54 -1.52 0.00 0.00 175.55 174.77 1x4h s VAL 45 N 1.36 2.47 -0.08 -3.49 0.11 -1.26 -1.60 120.40 117.91 1x4h s VAL 45 Ca -0.09 -1.40 0.04 0.00 -2.93 0.00 0.00 61.98 57.59 1x4h s VAL 45 Cb -0.08 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1x4h s VAL 45 CO -0.13 0.05 -0.19 -0.60 -3.33 0.00 0.00 175.10 170.90 1x4h s ARG 46 N 1.19 2.38 -0.19 1.54 3.00 0.14 -4.98 118.95 122.04 1x4h s ARG 46 Ca -0.05 -0.69 -0.00 0.00 -1.00 0.00 0.00 55.73 53.99 1x4h s ARG 46 Cb -0.19 -1.88 0.01 0.00 0.00 0.00 0.00 34.95 32.89 1x4h s ARG 46 CO -0.05 0.16 -0.16 0.54 0.00 0.00 0.00 175.30 175.79 1x4h s VAL 47 N 0.36 2.42 0.29 7.11 0.11 -1.26 0.22 120.40 129.65 1x4h s VAL 47 Ca -0.14 -0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 57.79 1x4h s VAL 47 Cb -0.16 -2.04 -0.12 0.00 -1.53 0.00 0.00 36.38 32.53 1x4h s VAL 47 CO 0.06 0.51 1.59 0.55 -3.33 0.00 0.00 175.10 174.47 1x4h n VAL 48 N 4.60 1.03 -4.21 2.04 3.14 -1.16 -4.96 118.33 118.80 1x4h n VAL 48 Ca -0.20 -0.26 -0.23 0.00 -2.96 0.00 0.00 64.34 60.69 1x4h n VAL 48 Cb 0.50 -1.94 -0.07 0.00 -1.06 0.00 0.00 33.84 31.28 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 -0.45 3.19 0.38 6.55 1.43 -1.26 -2.07 118.68 126.45 1x4h s LEU 49 Ca 0.64 -0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 1x4h s LEU 49 Cb -0.50 -1.65 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 1x4h s LEU 49 CO 0.49 -0.19 1.31 1.57 0.23 0.00 0.00 176.35 179.75 1x4h n HIS 50 N -1.03 2.31 -0.08 0.29 -0.00 -1.25 -4.38 115.22 111.08 1x4h n HIS 50 Ca -0.04 0.52 -0.13 0.00 0.46 0.00 0.00 57.72 58.52 1x4h n HIS 50 Cb 0.61 -2.41 -0.05 0.00 -0.12 0.00 0.00 29.99 28.01 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 2.40 0.56 0.07 1.57 0.13 -1.98 -3.35 132.00 131.39 1x4h h PRO 51 Ca -0.47 -0.29 -0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1x4h h PRO 51 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1x4h h PRO 51 CO 0.62 0.88 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.80 1x4h h ASP 52 N 0.26 -0.08 -5.18 1.44 3.32 -2.02 -3.47 116.42 110.68 1x4h h ASP 52 Ca 0.04 -0.41 -0.23 0.00 0.02 0.00 0.00 57.03 56.44 1x4h h ASP 52 Cb 0.78 0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1x4h h ASP 52 CO 0.06 0.59 -0.04 1.07 -1.72 0.00 0.00 179.24 179.20 1x4h n THR 53 N -4.79 0.00 -2.91 0.35 5.66 -1.26 -5.06 114.28 106.27 1x4h n THR 53 Ca -0.06 -0.93 -0.26 0.00 -3.05 0.00 0.00 64.05 59.75 1x4h n THR 53 Cb 0.24 -0.73 -0.03 0.00 -1.55 0.00 0.00 70.33 68.26 1x4h n THR 53 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1x4h n GLU 54 N -1.56 3.03 0.00 1.09 2.13 -1.26 -3.99 120.64 120.08 1x4h n GLU 54 Ca 0.07 -4.68 0.00 0.00 0.66 0.00 0.00 57.16 53.21 1x4h n GLU 54 Cb 0.29 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1x4h n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1x4h n HIS 55 N -0.22 0.00 -3.63 4.31 8.25 -1.26 -4.94 115.22 117.72 1x4h n HIS 55 Ca 0.31 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.73 1x4h n HIS 55 Cb 0.45 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 1x4h n HIS 55 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x4h s SER 56 N -1.69 -0.14 -0.16 0.41 0.01 -1.26 -4.71 113.70 106.16 1x4h s SER 56 Ca 0.00 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 1x4h s SER 56 Cb 0.00 0.19 -0.19 0.00 0.21 0.00 0.00 66.02 66.23 1x4h s SER 56 CO 0.00 -0.09 0.42 0.50 0.41 0.00 0.00 173.24 174.48 1x4h h LYS 57 N 2.71 0.00 0.00 12.44 1.63 -1.62 -3.33 116.57 128.41 1x4h h LYS 57 Ca -0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1x4h h LYS 57 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1x4h h LYS 57 CO 0.21 0.80 0.00 0.41 -3.45 0.00 0.00 179.45 177.42 1x4h n GLY 58 N 1.57 0.46 3.40 5.01 0.00 -1.26 -4.95 105.19 109.42 1x4h n GLY 58 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.47 -1.22 -0.06 0.00 0.00 -0.37 -3.01 121.76 113.64 1x4h s ALA 60 Ca 0.33 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1x4h s ALA 60 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1x4h s ALA 60 CO 0.16 -0.45 -0.24 -0.06 0.00 0.00 0.00 175.76 175.17 1x4h s PHE 61 N -2.22 2.48 0.21 0.00 0.40 0.13 -0.21 117.98 118.78 1x4h s PHE 61 Ca -0.07 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 1x4h s PHE 61 Cb -0.01 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 1x4h s PHE 61 CO -0.00 -0.20 0.06 0.00 0.70 0.00 0.00 175.22 175.78 1x4h s ALA 62 N -0.16 1.49 0.01 5.36 0.00 0.90 -0.68 121.76 128.69 1x4h s ALA 62 Ca -0.03 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.22 1x4h s ALA 62 Cb -0.14 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1x4h s ALA 62 CO 0.04 -0.41 -0.06 -1.14 0.00 0.00 0.00 175.76 174.18 1x4h s GLN 63 N -3.99 0.48 0.45 0.00 0.74 -0.63 -1.19 119.66 115.52 1x4h s GLN 63 Ca 0.31 -0.41 0.08 0.00 0.05 0.00 0.00 55.36 55.39 1x4h s GLN 63 Cb 0.07 -0.39 0.00 0.00 1.10 0.00 0.00 33.01 33.79 1x4h s GLN 63 CO 0.09 0.10 0.45 -0.06 -0.55 0.00 0.00 175.29 175.32 1x4h s PHE 64 N -0.59 2.47 -0.12 1.67 0.08 -1.25 -1.41 117.98 118.82 1x4h s PHE 64 Ca -0.02 -0.54 0.21 0.00 0.12 0.00 0.00 56.93 56.70 1x4h s PHE 64 Cb -0.05 -2.18 -0.19 0.00 -0.57 0.00 0.00 43.02 40.03 1x4h s PHE 64 CO 0.00 -0.32 0.69 -1.33 -0.10 0.00 0.00 175.22 174.16 1x4h n MET 65 N -1.69 0.64 -3.94 0.44 2.81 -1.15 -4.53 117.12 109.69 1x4h n MET 65 Ca 0.05 -0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.74 1x4h n MET 65 Cb 0.62 -1.66 -0.16 0.00 -0.71 0.00 0.00 33.22 31.30 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 -3.32 0.19 0.23 2.03 -4.23 -1.26 -4.71 115.64 104.57 1x4h s THR 66 Ca -0.05 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.35 1x4h s THR 66 Cb 0.11 -0.28 0.23 0.00 1.34 0.00 0.00 72.50 73.90 1x4h s THR 66 CO 0.85 0.15 1.56 1.56 -0.54 0.00 0.00 174.62 178.19 1x4h h GLN 67 N 7.22 -0.02 -1.06 3.99 4.20 -1.92 1.11 115.11 128.62 1x4h h GLN 67 Ca -0.43 0.00 0.28 0.00 0.06 0.00 0.00 58.65 58.57 1x4h h GLN 67 Cb 1.13 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.83 1x4h h GLN 67 CO 0.48 -0.01 0.69 1.49 -0.67 0.00 0.00 178.83 180.81 1x4h h GLU 68 N -0.02 0.33 0.30 1.46 4.81 -1.99 -1.97 114.58 117.49 1x4h h GLU 68 Ca 0.34 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1x4h h GLU 68 Cb 0.60 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1x4h h GLU 68 CO -0.95 0.22 -0.29 0.00 -0.73 0.00 0.00 179.01 177.26 1x4h h ALA 69 N 1.60 -0.99 -0.78 2.92 0.00 0.95 0.77 119.26 123.73 1x4h h ALA 69 Ca 0.60 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.59 1x4h h ALA 69 Cb 1.63 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 19.81 1x4h h ALA 69 CO -0.28 -1.01 0.09 0.00 0.00 0.00 0.00 179.25 178.05 1x4h h ALA 70 N -1.27 0.93 -0.81 0.00 0.00 -1.31 0.22 119.26 117.01 1x4h h ALA 70 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x4h h ALA 70 Cb 0.51 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1x4h h ALA 70 CO -0.03 -0.42 0.52 1.96 0.00 0.00 0.00 179.25 181.28 1x4h h GLN 71 N 0.16 1.08 0.00 0.00 1.08 -1.20 -1.24 115.11 114.99 1x4h h GLN 71 Ca 0.45 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 1x4h h GLN 71 Cb 0.82 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1x4h h GLN 71 CO -0.64 0.74 -0.05 0.87 -0.95 0.00 0.00 178.83 178.80 1x4h h LYS 72 N 1.10 0.00 0.13 1.46 1.57 0.19 -1.75 116.57 119.28 1x4h h LYS 72 Ca 0.29 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.80 1x4h h LYS 72 Cb -0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1x4h h LYS 72 CO -0.06 0.05 -1.25 0.00 -0.57 0.00 0.00 179.45 177.62 1x4h h LEU 74 N 0.08 -0.32 -1.73 0.00 3.38 -0.78 0.40 115.31 116.34 1x4h h LEU 74 Ca -0.14 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.14 1x4h h LEU 74 Cb 1.98 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.77 1x4h h LEU 74 CO 0.21 -0.13 0.91 0.00 0.09 0.00 0.00 178.44 179.52 1x4h h ALA 75 N -1.63 2.89 0.02 1.53 0.00 -1.60 0.89 119.26 121.36 1x4h h ALA 75 Ca -0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1x4h h ALA 75 Cb 0.29 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1x4h h ALA 75 CO 0.06 -1.43 -1.73 0.00 0.00 0.00 0.00 179.25 176.15 1x4h h ALA 76 N 1.14 0.71 0.00 0.00 0.00 -1.53 -3.22 119.26 116.36 1x4h h ALA 76 Ca 0.48 -1.44 -0.12 0.00 0.00 0.00 0.00 54.91 53.84 1x4h h ALA 76 Cb 2.29 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 20.57 1x4h h ALA 76 CO -0.01 1.54 -0.56 0.00 0.00 0.00 0.00 179.25 180.22 1x4h h ALA 77 N 0.87 0.93 -2.19 0.00 0.00 0.52 -2.60 119.26 116.79 1x4h h ALA 77 Ca -0.30 -0.51 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 1x4h h ALA 77 Cb 2.01 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.57 1x4h h ALA 77 CO 0.08 0.70 0.16 0.45 0.00 0.00 0.00 179.25 180.64 1x4h s SER 78 N -6.69 6.35 0.60 0.00 0.15 0.42 -3.77 113.70 110.76 1x4h s SER 78 Ca -0.01 -0.22 0.33 0.00 0.70 0.00 0.00 55.95 56.76 1x4h s SER 78 Cb 0.12 -2.33 1.92 0.00 -1.71 0.00 0.00 66.02 64.02 1x4h s SER 78 CO 0.74 -0.76 2.26 0.17 1.20 0.00 0.00 173.24 176.85 1x4h h LEU 79 N 9.69 0.00 0.10 3.45 -0.00 -1.71 -1.66 115.31 125.18 1x4h h LEU 79 Ca -0.26 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.34 1x4h h LEU 79 Cb 1.10 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.78 1x4h h LEU 79 CO 0.89 0.01 -1.24 1.05 -0.00 0.00 0.00 178.44 179.15 1x4h h GLU 80 N 0.00 0.44 -7.24 0.17 4.11 -1.91 -3.44 114.58 106.71 1x4h h GLU 80 Ca -0.00 -0.65 -0.52 0.00 0.07 0.00 0.00 59.36 58.25 1x4h h GLU 80 Cb 0.04 0.23 0.17 0.00 0.50 0.00 0.00 28.75 29.69 1x4h h GLU 80 CO 0.00 1.29 0.31 0.00 0.07 0.00 0.00 179.01 180.68 1x4h s ALA 81 N -2.83 1.88 -1.16 1.06 0.00 -0.62 -4.85 121.76 115.24 1x4h s ALA 81 Ca -0.07 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 1x4h s ALA 81 Cb 0.06 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1x4h s ALA 81 CO 0.91 -2.21 1.87 -1.21 0.00 0.00 0.00 175.76 175.12 1x4h s GLU 82 N -4.39 2.87 0.00 0.00 2.02 -1.26 -3.91 118.70 114.03 1x4h s GLU 82 Ca 0.69 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1x4h s GLU 82 Cb -0.24 -5.29 0.00 0.00 0.10 0.00 0.00 34.13 28.70 1x4h s GLU 82 CO 0.52 -3.46 0.00 0.41 0.02 0.00 0.00 175.26 172.75 1x4h n GLY 83 N 5.92 -2.08 0.00 -1.39 0.00 -1.25 -4.91 105.19 101.48 1x4h n GLY 83 Ca 0.44 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 -1.45 -1.11 2.71 -0.02 0.00 -1.22 -4.96 105.19 99.14 1x4h n GLY 84 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 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 0.39 0.11 -0.02 0.00 -0.99 -2.33 107.32 104.48 1x4h s GLY 85 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 1x4h s GLY 85 CO 0.00 1.35 0.72 1.08 0.00 0.00 0.00 173.10 176.24 1x4h s LEU 86 N 2.05 4.53 -0.03 0.66 1.02 -1.13 -4.95 118.68 120.83 1x4h s LEU 86 Ca 0.04 1.48 -0.03 0.00 0.02 0.00 0.00 54.13 55.64 1x4h s LEU 86 Cb -0.13 -3.17 0.01 0.00 0.02 0.00 0.00 46.19 42.92 1x4h s LEU 86 CO -0.05 0.17 0.09 -0.54 0.02 0.00 0.00 176.35 176.04 1x4h s LYS 87 N -0.82 0.09 -0.38 1.70 1.02 -1.26 -3.16 119.74 116.94 1x4h s LYS 87 Ca 0.35 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.47 1x4h s LYS 87 Cb -0.21 0.01 0.10 0.00 -0.52 0.00 0.00 37.83 37.21 1x4h s LYS 87 CO 0.23 -0.03 0.14 -1.17 -0.92 0.00 0.00 175.35 173.60 1x4h s LEU 88 N 0.20 4.95 -0.67 3.17 2.96 -0.87 -4.60 118.68 123.82 1x4h s LEU 88 Ca -0.01 -1.97 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 1x4h s LEU 88 Cb -0.02 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1x4h s LEU 88 CO -0.01 -0.47 0.00 0.47 -1.32 0.00 0.00 176.35 175.03 1x4h n ASP 89 N 4.51 -3.23 -0.14 3.68 8.00 -1.26 -3.31 116.55 124.80 1x4h n ASP 89 Ca -0.02 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1x4h n ASP 89 Cb 0.42 -1.99 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 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 -1.53 0.93 2.98 0.44 0.00 -1.26 -5.08 105.19 101.67 1x4h n GLY 90 Ca -0.08 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.17 1.46 -0.46 1.61 1.81 -1.21 -5.10 118.95 113.89 1x4h s ARG 91 Ca 0.00 -0.32 -0.28 0.00 -1.72 0.00 0.00 55.73 53.40 1x4h s ARG 91 Cb 0.00 -1.25 0.00 0.00 -0.45 0.00 0.00 34.95 33.25 1x4h s ARG 91 CO 0.00 -0.01 1.50 -0.65 -0.68 0.00 0.00 175.30 175.46 1x4h s GLN 92 N 0.76 3.39 -0.13 3.54 -1.52 -1.26 -2.05 119.66 122.39 1x4h s GLN 92 Ca -0.13 0.84 -0.26 0.00 -1.95 0.00 0.00 55.36 53.87 1x4h s GLN 92 Cb -0.15 -4.11 -0.02 0.00 -0.22 0.00 0.00 33.01 28.51 1x4h s GLN 92 CO 0.02 -1.80 0.84 -0.51 -0.25 0.00 0.00 175.29 173.59 1x4h s LEU 93 N 6.09 4.22 -0.53 2.90 1.43 -1.19 -4.68 118.68 126.93 1x4h s LEU 93 Ca 0.62 1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 54.80 1x4h s LEU 93 Cb -0.14 -3.27 0.10 0.00 0.03 0.00 0.00 46.19 42.91 1x4h s LEU 93 CO 0.30 -0.34 0.54 -0.54 0.23 0.00 0.00 176.35 176.53 1x4h s LYS 94 N 1.80 3.02 -0.25 1.70 1.02 -0.69 -4.78 119.74 121.56 1x4h s LYS 94 Ca 0.40 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 1x4h s LYS 94 Cb -0.17 -4.22 -0.05 0.00 -0.52 0.00 0.00 37.83 32.87 1x4h s LYS 94 CO 0.15 -1.28 0.19 0.08 -0.92 0.00 0.00 175.35 173.57 1x4h s VAL 95 N 2.02 5.33 0.01 3.17 1.01 -1.25 -0.13 120.40 130.57 1x4h s VAL 95 Ca 0.07 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1x4h s VAL 95 Cb -0.25 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1x4h s VAL 95 CO 0.06 0.31 -0.04 -0.62 0.00 0.00 0.00 175.10 174.81 1x4h s ASP 96 N 1.25 0.37 -0.51 3.32 2.15 -0.31 -4.75 116.67 118.19 1x4h s ASP 96 Ca 0.08 -0.27 -0.26 0.00 0.43 0.00 0.00 52.55 52.54 1x4h s ASP 96 Cb -0.14 0.02 -0.06 0.00 -0.30 0.00 0.00 42.92 42.43 1x4h s ASP 96 CO 0.06 -0.11 2.33 -0.22 -0.17 0.00 0.00 175.17 177.07 1x4h s LEU 97 N -0.74 3.38 0.72 -1.34 1.98 -1.26 0.04 118.68 121.47 1x4h s LEU 97 Ca -0.06 0.95 -0.11 0.00 -2.89 0.00 0.00 54.13 52.02 1x4h s LEU 97 Cb -0.05 -2.51 0.02 0.00 0.66 0.00 0.00 46.19 44.32 1x4h s LEU 97 CO -0.00 -2.82 1.09 0.00 -1.89 0.00 0.00 176.35 172.72 1x4h s ALA 98 N 11.79 2.72 -0.26 5.97 0.00 -1.26 -4.92 121.76 135.80 1x4h s ALA 98 Ca 0.93 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1x4h s ALA 98 Cb -0.16 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1x4h s ALA 98 CO 0.25 -1.27 -0.00 0.08 0.00 0.00 0.00 175.76 174.82 1x4h s VAL 99 N -3.26 1.47 -0.50 0.00 1.01 -1.26 -4.53 120.40 113.33 1x4h s VAL 99 Ca 0.59 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 1x4h s VAL 99 Cb -0.12 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 1x4h s VAL 99 CO 0.53 -0.30 2.40 0.41 0.00 0.00 0.00 175.10 178.13 1x4h n THR 100 N 4.66 0.03 -4.04 3.92 -1.04 -1.26 -4.88 114.28 111.67 1x4h n THR 100 Ca -0.07 -0.55 -0.10 0.00 -2.04 0.00 0.00 64.05 61.28 1x4h n THR 100 Cb 0.43 -2.26 -0.06 0.00 -1.82 0.00 0.00 70.33 66.62 1x4h n THR 100 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x4h s ARG 101 N 7.78 1.51 -0.92 -2.82 1.04 -1.26 -5.10 118.95 119.19 1x4h s ARG 101 Ca 1.06 -1.36 -0.21 0.00 -1.04 0.00 0.00 55.73 54.17 1x4h s ARG 101 Cb -0.46 0.43 0.09 0.00 -2.04 0.00 0.00 34.95 32.97 1x4h s ARG 101 CO 0.34 -0.61 1.24 0.16 -0.04 0.00 0.00 175.30 176.40 1x4h s ASP 102 N -3.06 6.50 -0.85 -2.89 -4.77 -1.26 -4.96 116.67 105.38 1x4h s ASP 102 Ca 0.26 -1.59 -0.25 0.00 -3.30 0.00 0.00 52.55 47.67 1x4h s ASP 102 Cb 0.01 -2.48 -0.03 0.00 -1.09 0.00 0.00 42.92 39.33 1x4h s ASP 102 CO 0.10 -1.33 1.85 -0.70 0.70 0.00 0.00 175.17 175.79 1x4h s GLU 103 N 3.93 2.71 -0.29 2.11 2.56 -1.26 -4.90 118.70 123.56 1x4h s GLU 103 Ca 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 54.97 55.14 1x4h s GLU 103 Cb -0.05 -4.92 0.09 0.00 2.00 0.00 0.00 34.13 31.25 1x4h s GLU 103 CO -0.06 -3.06 0.07 0.00 -0.56 0.00 0.00 175.26 171.65 1x4h s ALA 104 N 9.12 1.67 0.29 6.30 0.00 -1.26 -5.10 121.76 132.78 1x4h s ALA 104 Ca 0.65 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 1x4h s ALA 104 Cb -0.07 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.50 1x4h s ALA 104 CO 0.03 -1.57 0.80 0.00 0.00 0.00 0.00 175.76 175.03 1x4h s ALA 105 N 1.54 -1.14 0.36 0.00 0.00 -1.26 -5.17 121.76 116.09 1x4h s ALA 105 Ca 0.07 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1x4h s ALA 105 Cb -0.18 0.75 -0.08 0.00 0.00 0.00 0.00 23.12 23.62 1x4h s ALA 105 CO -0.20 -1.02 0.74 -1.54 0.00 0.00 0.00 175.76 173.74 1x4h s SER 106 N -3.02 6.66 -0.60 0.00 1.04 -1.26 -5.05 113.70 111.47 1x4h s SER 106 Ca 0.14 1.21 0.04 0.00 0.48 0.00 0.00 55.95 57.82 1x4h s SER 106 Cb -0.05 -2.35 0.16 0.00 0.10 0.00 0.00 66.02 63.88 1x4h s SER 106 CO 0.08 -0.29 0.39 -0.83 0.98 0.00 0.00 173.24 173.57 1x4h s GLY 107 N -2.66 2.47 0.46 7.32 0.00 -1.26 -4.92 107.32 108.74 1x4h s GLY 107 Ca 0.53 -3.40 0.31 0.00 0.00 0.00 0.00 44.72 42.15 1x4h s GLY 107 CO 0.23 1.24 1.91 -0.56 0.00 0.00 0.00 173.10 175.93 1x4h h PRO 108 N 5.84 0.00 0.07 2.90 0.13 -2.06 -3.21 132.00 135.66 1x4h h PRO 108 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1x4h h PRO 108 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1x4h h PRO 108 CO 0.64 0.00 -0.03 1.03 -0.23 0.00 0.00 178.00 179.41 1x4h h SER 109 N 0.00 -0.08 -6.46 1.44 0.87 -2.05 -3.46 113.55 103.81 1x4h h SER 109 Ca 0.00 -0.46 -0.50 0.00 -1.23 0.00 0.00 61.79 59.60 1x4h h SER 109 Cb 0.45 0.02 -0.27 0.00 -0.44 0.00 0.00 62.40 62.15 1x4h h SER 109 CO 0.00 0.60 -0.74 -1.54 -0.53 0.00 0.00 176.83 174.62 1x4h n SER 110 N -4.79 -0.84 -0.04 6.23 3.41 -1.22 -5.34 113.62 111.04 1x4h n SER 110 Ca -0.06 -1.01 0.01 0.00 -0.26 0.00 0.00 58.87 57.54 1x4h n SER 110 Cb 0.26 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1x4h n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49