#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 5.49 0.03 1.61 0.15 -1.26 -4.86 113.70 114.86 1x4h s SER 2 Ca 0.00 -1.63 -0.17 0.00 0.70 0.00 0.00 55.95 54.84 1x4h s SER 2 Cb 0.00 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1x4h s SER 2 CO 0.00 -2.56 0.39 -0.94 1.20 0.00 0.00 173.24 171.33 1x4h s SER 3 N 6.23 -0.26 -0.18 5.45 1.04 -1.26 -5.03 113.70 119.69 1x4h s SER 3 Ca 0.64 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 1x4h s SER 3 Cb -0.01 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1x4h s SER 3 CO 0.08 -0.61 0.21 0.61 0.98 0.00 0.00 173.24 174.51 1x4h n GLY 4 N 0.67 -0.76 3.52 7.32 0.00 -1.26 -5.06 105.19 109.62 1x4h n GLY 4 Ca -0.19 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.89 4.58 0.11 1.61 0.01 -1.26 -5.12 113.70 111.75 1x4h s SER 5 Ca 0.04 -0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.25 1x4h s SER 5 Cb -0.01 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 1x4h s SER 5 CO 0.25 0.27 0.00 -0.94 0.41 0.00 0.00 173.24 173.23 1x4h s SER 6 N -0.28 4.96 -0.71 2.44 1.04 -1.26 -5.02 113.70 114.88 1x4h s SER 6 Ca 0.04 -0.23 -0.25 0.00 0.48 0.00 0.00 55.95 55.98 1x4h s SER 6 Cb -0.13 -1.15 -0.13 0.00 0.10 0.00 0.00 66.02 64.71 1x4h s SER 6 CO 0.02 0.15 2.41 0.61 0.98 0.00 0.00 173.24 177.42 1x4h n GLY 7 N 0.38 -0.07 3.62 7.32 0.00 -1.26 -4.91 105.19 110.27 1x4h n GLY 7 Ca -0.11 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1x4h n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x4h s LEU 8 N 12.66 3.26 0.54 0.99 0.05 -1.26 -5.11 118.68 129.81 1x4h s LEU 8 Ca 1.00 -0.14 -0.20 0.00 0.05 0.00 0.00 54.13 54.84 1x4h s LEU 8 Cb -0.25 -1.90 -0.06 0.00 -2.05 0.00 0.00 46.19 41.94 1x4h s LEU 8 CO 0.20 0.26 1.13 -2.16 -0.55 0.00 0.00 176.35 175.23 1x4h s PRO 9 N -1.60 3.37 -0.07 1.48 0.04 -1.26 -4.88 135.00 132.09 1x4h s PRO 9 Ca 0.19 1.62 -0.32 0.00 0.04 0.00 0.00 61.00 62.53 1x4h s PRO 9 Cb -0.11 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.25 1x4h s PRO 9 CO 0.10 -0.84 0.90 -1.13 0.04 0.00 0.00 177.00 176.07 1x4h n SER 10 N -1.27 0.15 -4.77 6.66 3.41 -1.26 -4.80 113.62 111.74 1x4h n SER 10 Ca 0.11 0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 59.23 1x4h n SER 10 Cb 0.51 -0.71 0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1x4h n SER 10 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x4h s ASP 11 N 0.40 6.14 0.02 4.04 1.01 -1.26 -4.95 116.67 122.07 1x4h s ASP 11 Ca 0.72 2.84 -0.26 0.00 0.71 0.00 0.00 52.55 56.57 1x4h s ASP 11 Cb -1.02 -2.65 -0.17 0.00 1.01 0.00 0.00 42.92 40.09 1x4h s ASP 11 CO 0.48 -0.99 1.36 0.58 0.21 0.00 0.00 175.17 176.80 1x4h h VAL 12 N 2.50 0.75 -2.60 -1.27 2.07 -2.00 -3.45 116.25 112.25 1x4h h VAL 12 Ca -0.50 -0.49 -0.59 0.00 0.82 0.00 0.00 66.70 65.94 1x4h h VAL 12 Cb 1.25 1.01 0.16 0.00 -1.52 0.00 0.00 31.29 32.20 1x4h h VAL 12 CO 0.62 0.10 -0.49 0.35 0.02 0.00 0.00 177.57 178.17 1x4h n THR 13 N -5.14 1.77 -1.65 2.57 -2.24 -1.26 -4.85 114.28 103.47 1x4h n THR 13 Ca -0.10 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 1x4h n THR 13 Cb 0.24 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1x4h n THR 13 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1x4h n GLU 14 N 0.41 2.54 -1.00 -0.78 2.13 -1.26 -4.75 120.64 117.92 1x4h n GLU 14 Ca 0.11 -2.82 -0.14 0.00 0.66 0.00 0.00 57.16 54.96 1x4h n GLU 14 Cb 0.44 -2.19 -0.06 0.00 0.27 0.00 0.00 31.44 29.90 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x4h n GLY 15 N 0.26 3.48 3.13 8.31 0.00 -1.26 -4.82 105.19 114.29 1x4h n GLY 15 Ca 0.51 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.50 2.90 0.09 1.61 1.02 -1.26 -4.93 119.74 118.67 1x4h s LYS 16 Ca 0.44 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1x4h s LYS 16 Cb 0.26 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1x4h s LYS 16 CO -0.06 -0.27 0.02 0.99 -0.92 0.00 0.00 175.35 175.11 1x4h s THR 17 N 1.27 0.16 -0.24 2.17 2.01 -1.26 -3.97 115.64 115.78 1x4h s THR 17 Ca 0.03 -1.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.04 1x4h s THR 17 Cb -0.14 -1.80 0.08 0.00 0.01 0.00 0.00 72.50 70.64 1x4h s THR 17 CO -0.11 -0.70 0.57 0.68 -0.69 0.00 0.00 174.62 174.37 1x4h s VAL 18 N -3.99 -0.11 -0.18 3.82 -7.23 -0.59 -4.15 120.40 107.98 1x4h s VAL 18 Ca 0.16 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1x4h s VAL 18 Cb 0.08 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.19 1x4h s VAL 18 CO -0.04 0.02 -0.19 0.12 -0.31 0.00 0.00 175.10 174.70 1x4h s PHE 19 N 1.68 2.77 -0.14 2.82 5.36 0.14 -0.07 117.98 130.55 1x4h s PHE 19 Ca -0.09 -1.66 -0.12 0.00 -0.96 0.00 0.00 56.93 54.09 1x4h s PHE 19 Cb -0.07 -1.91 -0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1x4h s PHE 19 CO -0.17 -0.81 0.26 0.42 -1.46 0.00 0.00 175.22 173.46 1x4h s ILE 20 N 1.29 5.32 0.47 3.12 1.09 0.44 -0.94 121.20 131.98 1x4h s ILE 20 Ca 0.04 0.48 0.06 0.00 -1.10 0.00 0.00 60.65 60.13 1x4h s ILE 20 Cb -0.13 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.67 1x4h s ILE 20 CO -0.13 0.46 0.23 -0.60 -0.10 0.00 0.00 174.94 174.80 1x4h s ARG 21 N 0.03 2.25 -1.28 2.79 3.52 0.38 -0.52 118.95 126.13 1x4h s ARG 21 Ca 0.16 -1.96 -0.12 0.00 -0.13 0.00 0.00 55.73 53.68 1x4h s ARG 21 Cb -0.13 -1.97 -0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1x4h s ARG 21 CO 0.04 -0.31 0.60 -1.71 -0.81 0.00 0.00 175.30 173.11 1x4h n ASN 22 N -1.42 -2.72 -4.81 -2.12 5.15 0.13 -2.97 115.26 106.51 1x4h n ASN 22 Ca -0.04 -1.03 -0.37 0.00 -0.60 0.00 0.00 54.58 52.54 1x4h n ASN 22 Cb 0.65 -3.09 -0.06 0.00 -0.53 0.00 0.00 39.78 36.75 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 -6.80 4.41 0.29 1.20 1.43 0.91 -4.61 118.68 115.52 1x4h s LEU 23 Ca 0.24 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.48 1x4h s LEU 23 Cb -0.09 -3.42 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 1x4h s LEU 23 CO 0.88 0.10 0.99 -0.55 0.23 0.00 0.00 176.35 178.00 1x4h s SER 24 N -1.49 7.36 0.46 2.29 0.15 -1.26 -4.36 113.70 116.85 1x4h s SER 24 Ca 0.39 1.99 0.31 0.00 0.70 0.00 0.00 55.95 59.35 1x4h s SER 24 Cb -0.18 -2.60 1.63 0.00 -1.71 0.00 0.00 66.02 63.15 1x4h s SER 24 CO 0.22 -0.06 1.96 -0.26 1.20 0.00 0.00 173.24 176.29 1x4h h PHE 25 N 3.56 0.00 0.00 3.44 0.04 -1.90 0.42 116.94 122.51 1x4h h PHE 25 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1x4h h PHE 25 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1x4h h PHE 25 CO 0.60 0.00 -0.84 -3.47 -0.60 0.00 0.00 178.31 174.00 1x4h n ASP 26 N -2.63 0.67 -4.72 2.17 2.03 -1.26 -4.72 116.55 108.09 1x4h n ASP 26 Ca -0.01 0.02 -0.33 0.00 0.52 0.00 0.00 54.79 54.99 1x4h n ASP 26 Cb 0.10 0.46 0.10 0.00 -0.72 0.00 0.00 41.12 41.06 1x4h n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x4h s SER 27 N -4.26 4.13 0.27 1.67 0.01 0.14 -5.05 113.70 110.60 1x4h s SER 27 Ca 0.04 2.27 0.02 0.00 1.31 0.00 0.00 55.95 59.59 1x4h s SER 27 Cb 0.13 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1x4h s SER 27 CO 0.76 -2.30 0.09 -1.61 0.41 0.00 0.00 173.24 170.59 1x4h s GLU 28 N -4.09 1.44 0.24 12.44 2.02 -1.26 -4.98 118.70 124.52 1x4h s GLU 28 Ca 0.72 -1.78 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 1x4h s GLU 28 Cb -0.27 -0.36 0.29 0.00 0.10 0.00 0.00 34.13 33.89 1x4h s GLU 28 CO 0.47 -0.27 1.66 1.49 0.02 0.00 0.00 175.26 178.63 1x4h h GLU 29 N 2.35 0.59 -0.23 1.61 4.81 -1.96 -0.49 114.58 121.26 1x4h h GLU 29 Ca -0.39 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 58.52 1x4h h GLU 29 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1x4h h GLU 29 CO 0.62 0.81 -0.15 1.49 -0.73 0.00 0.00 179.01 181.05 1x4h h GLU 30 N 0.51 0.52 -0.17 1.92 4.81 -1.97 -2.76 114.58 117.44 1x4h h GLU 30 Ca 0.07 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1x4h h GLU 30 Cb 0.75 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1x4h h GLU 30 CO 0.06 0.81 -0.05 0.00 -0.73 0.00 0.00 179.01 179.09 1x4h h ALA 31 N 0.70 0.23 -0.29 2.92 0.00 -1.96 -2.18 119.26 118.68 1x4h h ALA 31 Ca 0.05 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1x4h h ALA 31 Cb 0.67 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 1x4h h ALA 31 CO 0.04 0.01 -0.26 1.25 0.00 0.00 0.00 179.25 180.30 1x4h h LEU 32 N 0.03 -0.83 -0.01 0.00 6.46 -1.12 -2.18 115.31 117.65 1x4h h LEU 32 Ca 0.04 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1x4h h LEU 32 Cb 0.50 0.40 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1x4h h LEU 32 CO 0.02 -0.29 0.01 1.23 -0.62 0.00 0.00 178.44 178.79 1x4h h GLY 33 N -0.24 0.01 0.96 3.75 0.00 -1.51 -1.99 103.07 104.05 1x4h h GLY 33 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1x4h h GLY 33 CO -0.43 0.01 0.50 0.83 0.00 0.00 0.00 176.54 177.45 1x4h h GLU 34 N -0.06 0.00 0.13 4.80 5.08 -0.91 0.55 114.58 124.18 1x4h h GLU 34 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1x4h h GLU 34 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1x4h h GLU 34 CO -0.00 0.00 -1.70 0.28 -1.00 0.00 0.00 179.01 176.59 1x4h h VAL 35 N 0.00 0.96 -0.01 3.13 2.07 -0.76 -3.33 116.25 118.30 1x4h h VAL 35 Ca 0.03 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1x4h h VAL 35 Cb 1.04 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1x4h h VAL 35 CO -0.00 0.82 -0.06 0.18 0.02 0.00 0.00 177.57 178.53 1x4h n LEU 36 N -3.46 1.39 0.13 2.57 4.77 0.15 -3.94 117.00 118.60 1x4h n LEU 36 Ca -0.22 -0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 55.09 1x4h n LEU 36 Cb 1.05 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.96 1x4h n LEU 36 CO 0.49 0.24 -0.26 1.56 -1.33 0.00 0.00 177.39 178.08 1x4h h GLN 37 N 2.10 0.48 -0.96 3.23 4.20 -0.33 -3.33 115.11 120.49 1x4h h GLN 37 Ca 0.00 -0.81 0.27 0.00 0.06 0.00 0.00 58.65 58.17 1x4h h GLN 37 Cb 0.50 0.30 -0.17 0.00 0.30 0.00 0.00 27.48 28.41 1x4h h GLN 37 CO 0.00 1.38 0.08 -0.56 -0.67 0.00 0.00 178.83 179.07 1x4h h GLN 38 N 0.13 0.04 0.70 1.46 3.07 -1.70 -0.27 115.11 118.54 1x4h h GLN 38 Ca -0.26 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.45 1x4h h GLN 38 Cb 2.13 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 29.69 1x4h h GLN 38 CO 0.25 0.03 -0.34 0.74 0.09 0.00 0.00 178.83 179.60 1x4h h PHE 39 N 0.04 -0.87 -1.66 0.06 -1.00 -1.82 -3.48 116.94 108.21 1x4h h PHE 39 Ca 0.60 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.36 1x4h h PHE 39 Cb 1.25 0.29 0.00 0.00 3.61 0.00 0.00 35.95 41.09 1x4h h PHE 39 CO -0.43 -0.51 0.00 0.41 -1.61 0.00 0.00 178.31 176.17 1x4h n GLY 40 N -0.95 3.25 3.64 -1.45 0.00 -0.11 -4.98 105.19 104.59 1x4h n GLY 40 Ca -0.13 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1x4h n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4h s ASP 41 N -0.12 6.80 -0.10 1.61 1.01 -1.26 -4.23 116.67 120.39 1x4h s ASP 41 Ca 0.00 0.95 -0.28 0.00 0.71 0.00 0.00 52.55 53.94 1x4h s ASP 41 Cb 0.00 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1x4h s ASP 41 CO 0.00 -0.57 0.91 -0.76 0.21 0.00 0.00 175.17 174.96 1x4h s LEU 42 N 2.94 4.26 -0.03 1.23 1.43 -1.26 -1.05 118.68 126.20 1x4h s LEU 42 Ca 0.35 1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 1x4h s LEU 42 Cb -0.15 -3.41 -0.11 0.00 0.03 0.00 0.00 46.19 42.56 1x4h s LEU 42 CO 0.09 -0.35 0.73 0.50 0.23 0.00 0.00 176.35 177.55 1x4h h LYS 43 N 7.05 -0.47 -2.88 1.70 1.63 -0.35 -3.47 116.57 119.78 1x4h h LYS 43 Ca -0.34 0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.33 1x4h h LYS 43 Cb 1.16 0.11 -0.29 0.00 -0.60 0.00 0.00 32.23 32.62 1x4h h LYS 43 CO 0.82 -0.23 -0.41 1.52 -3.45 0.00 0.00 179.45 177.69 1x4h s TYR 44 N -3.48 -0.43 -0.26 1.91 -0.85 -1.23 -5.01 117.35 108.00 1x4h s TYR 44 Ca -0.10 0.98 -0.00 0.00 -0.52 0.00 0.00 57.07 57.43 1x4h s TYR 44 Cb 0.01 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.52 1x4h s TYR 44 CO 0.31 -0.28 -0.07 0.54 -1.52 0.00 0.00 175.55 174.54 1x4h s VAL 45 N 1.33 2.69 -0.02 -3.49 0.11 -1.26 -1.95 120.40 117.80 1x4h s VAL 45 Ca -0.09 -1.23 0.04 0.00 -2.93 0.00 0.00 61.98 57.77 1x4h s VAL 45 Cb -0.10 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 1x4h s VAL 45 CO -0.10 0.11 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.03 1x4h s ARG 46 N 1.26 1.31 -0.24 1.54 6.06 -0.26 -4.95 118.95 123.67 1x4h s ARG 46 Ca -0.03 -0.53 -0.01 0.00 -2.50 0.00 0.00 55.73 52.66 1x4h s ARG 46 Cb -0.18 -1.23 0.03 0.00 0.06 0.00 0.00 34.95 33.63 1x4h s ARG 46 CO -0.04 0.29 -0.08 0.54 -2.50 0.00 0.00 175.30 173.50 1x4h s VAL 47 N -0.21 2.74 0.36 7.11 0.11 -1.26 -0.27 120.40 128.97 1x4h s VAL 47 Ca 0.03 -1.03 -0.28 0.00 -2.93 0.00 0.00 61.98 57.77 1x4h s VAL 47 Cb -0.07 -2.37 -0.11 0.00 -1.53 0.00 0.00 36.38 32.30 1x4h s VAL 47 CO 0.00 0.24 1.43 0.54 -3.33 0.00 0.00 175.10 173.98 1x4h s VAL 48 N 1.31 2.28 0.28 2.04 0.11 -1.23 -4.91 120.40 120.29 1x4h s VAL 48 Ca 0.00 0.28 0.07 0.00 -2.93 0.00 0.00 61.98 59.40 1x4h s VAL 48 Cb -0.16 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 1x4h s VAL 48 CO -0.06 0.07 0.30 -0.76 -3.33 0.00 0.00 175.10 171.32 1x4h s LEU 49 N -1.93 3.91 0.38 2.54 1.43 -1.26 -2.70 118.68 121.05 1x4h s LEU 49 Ca 0.52 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.12 1x4h s LEU 49 Cb -0.44 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.17 1x4h s LEU 49 CO 0.59 -0.18 1.43 1.57 0.23 0.00 0.00 176.35 179.99 1x4h n HIS 50 N -1.35 2.77 -0.07 0.29 -0.00 -0.51 -4.70 115.22 111.65 1x4h n HIS 50 Ca -0.05 0.47 -0.13 0.00 0.46 0.00 0.00 57.72 58.46 1x4h n HIS 50 Cb 0.58 -2.49 -0.06 0.00 -0.12 0.00 0.00 29.99 27.90 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 2.72 0.46 0.45 1.57 0.13 -1.98 -3.35 132.00 132.01 1x4h h PRO 51 Ca -0.50 -0.24 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 1x4h h PRO 51 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1x4h h PRO 51 CO 0.63 0.81 -0.22 0.22 -0.23 0.00 0.00 178.00 179.21 1x4h h ASP 52 N 0.13 -0.52 -1.11 1.44 3.58 -2.01 -3.47 116.42 114.48 1x4h h ASP 52 Ca 0.03 -0.05 -0.54 0.00 0.42 0.00 0.00 57.03 56.90 1x4h h ASP 52 Cb 0.72 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 1x4h h ASP 52 CO 0.05 -0.09 -0.35 0.28 -2.88 0.00 0.00 179.24 176.24 1x4h s THR 53 N -3.88 2.17 -0.60 2.25 -1.32 -1.26 -5.03 115.64 107.98 1x4h s THR 53 Ca -0.11 -1.44 -0.03 0.00 -1.21 0.00 0.00 61.69 58.91 1x4h s THR 53 Cb 0.01 -2.61 0.22 0.00 -1.51 0.00 0.00 72.50 68.61 1x4h s THR 53 CO 0.36 0.00 2.36 1.21 -2.21 0.00 0.00 174.62 176.33 1x4h n GLU 54 N -1.63 2.50 -2.77 7.08 4.07 -1.26 -3.75 120.64 124.87 1x4h n GLU 54 Ca 0.01 -2.79 -0.20 0.00 -0.06 0.00 0.00 57.16 54.12 1x4h n GLU 54 Cb 0.63 -2.15 0.03 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 -2.79 2.90 -0.89 4.31 3.76 -1.26 -4.89 115.29 116.42 1x4h s HIS 55 Ca 0.54 -0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 55.18 1x4h s HIS 55 Cb 0.40 -2.61 0.10 0.00 1.11 0.00 0.00 32.58 31.58 1x4h s HIS 55 CO -0.25 -0.71 1.19 -1.12 -0.85 0.00 0.00 174.74 173.00 1x4h s SER 56 N -4.38 6.49 0.84 1.40 0.01 -1.26 -1.42 113.70 115.38 1x4h s SER 56 Ca 0.55 -1.63 -0.16 0.00 1.31 0.00 0.00 55.95 56.02 1x4h s SER 56 Cb -0.10 -2.45 -0.14 0.00 0.21 0.00 0.00 66.02 63.53 1x4h s SER 56 CO 0.37 -1.28 -0.63 1.17 0.41 0.00 0.00 173.24 173.28 1x4h n LYS 57 N 7.47 0.00 -0.23 12.44 4.81 -1.10 -4.54 118.16 137.02 1x4h n LYS 57 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1x4h n LYS 57 Cb 0.49 -0.94 0.04 0.00 0.02 0.00 0.00 35.03 34.64 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 3.09 2.39 3.38 3.14 0.00 -1.26 -4.66 105.19 111.27 1x4h n GLY 58 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.15 -0.76 0.01 0.00 0.00 0.33 -3.51 121.76 114.68 1x4h s ALA 60 Ca -0.01 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1x4h s ALA 60 Cb -0.00 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1x4h s ALA 60 CO -0.07 -0.71 -0.23 -0.06 0.00 0.00 0.00 175.76 174.69 1x4h s PHE 61 N -3.86 2.03 0.22 0.00 0.40 0.62 -0.42 117.98 116.98 1x4h s PHE 61 Ca 0.08 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1x4h s PHE 61 Cb 0.01 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1x4h s PHE 61 CO -0.06 0.04 0.21 0.00 0.70 0.00 0.00 175.22 176.10 1x4h s ALA 62 N -0.67 0.99 -0.04 5.36 0.00 0.90 -1.10 121.76 127.20 1x4h s ALA 62 Ca 0.09 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 1x4h s ALA 62 Cb -0.09 1.34 0.03 0.00 0.00 0.00 0.00 23.12 24.40 1x4h s ALA 62 CO 0.01 -0.64 0.09 -1.14 0.00 0.00 0.00 175.76 174.08 1x4h s GLN 63 N -4.04 0.06 0.38 0.00 0.74 -0.82 -1.53 119.66 114.44 1x4h s GLN 63 Ca 0.36 0.23 0.03 0.00 0.05 0.00 0.00 55.36 56.04 1x4h s GLN 63 Cb 0.05 -0.11 -0.01 0.00 1.10 0.00 0.00 33.01 34.04 1x4h s GLN 63 CO 0.13 -0.11 0.56 -0.06 -0.55 0.00 0.00 175.29 175.26 1x4h s PHE 64 N 0.73 3.19 -0.52 1.67 0.08 -1.25 0.35 117.98 122.23 1x4h s PHE 64 Ca -0.06 0.01 0.24 0.00 0.12 0.00 0.00 56.93 57.24 1x4h s PHE 64 Cb -0.08 -2.12 0.29 0.00 -0.57 0.00 0.00 43.02 40.55 1x4h s PHE 64 CO -0.03 -0.14 1.31 0.52 -0.10 0.00 0.00 175.22 176.78 1x4h h MET 65 N 0.68 0.00 -4.13 0.44 2.86 -1.44 -3.42 114.93 109.91 1x4h h MET 65 Ca -0.46 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 56.93 1x4h h MET 65 Cb 1.25 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.66 1x4h h MET 65 CO 0.55 0.00 -0.73 0.95 1.06 0.00 0.00 176.91 178.75 1x4h s THR 66 N -3.22 0.26 0.18 2.22 -4.23 -1.26 -5.03 115.64 104.56 1x4h s THR 66 Ca 0.05 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 1x4h s THR 66 Cb 0.11 -0.30 0.09 0.00 1.34 0.00 0.00 72.50 73.75 1x4h s THR 66 CO 0.72 -0.18 1.83 1.56 -0.54 0.00 0.00 174.62 178.02 1x4h h GLN 67 N 5.38 0.81 -0.25 3.99 1.08 -1.90 -1.84 115.11 122.38 1x4h h GLN 67 Ca -0.30 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 56.91 1x4h h GLN 67 Cb 1.20 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1x4h h GLN 67 CO 0.46 0.56 0.18 1.49 -0.95 0.00 0.00 178.83 180.57 1x4h h GLU 68 N 0.82 0.03 0.45 1.46 4.81 -1.99 -2.83 114.58 117.32 1x4h h GLU 68 Ca 0.22 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1x4h h GLU 68 Cb -0.05 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1x4h h GLU 68 CO -0.04 0.02 -0.22 0.00 -0.73 0.00 0.00 179.01 178.04 1x4h h ALA 69 N 1.88 -1.04 -0.82 2.92 0.00 -1.72 -1.20 119.26 119.28 1x4h h ALA 69 Ca 0.12 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1x4h h ALA 69 Cb 0.42 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 1x4h h ALA 69 CO -0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 179.25 178.24 1x4h h ALA 70 N -1.66 0.85 -0.78 0.00 0.00 -1.47 0.53 119.26 116.73 1x4h h ALA 70 Ca -0.06 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x4h h ALA 70 Cb 0.47 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1x4h h ALA 70 CO 0.10 -0.45 0.49 1.96 0.00 0.00 0.00 179.25 181.35 1x4h h GLN 71 N 0.08 1.05 0.00 0.00 1.08 -1.48 -1.34 115.11 114.50 1x4h h GLN 71 Ca 0.45 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.52 1x4h h GLN 71 Cb 0.82 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1x4h h GLN 71 CO -0.74 0.73 -0.24 0.87 -0.95 0.00 0.00 178.83 178.49 1x4h h LYS 72 N 1.07 0.00 0.00 1.46 1.57 0.13 -2.70 116.57 118.11 1x4h h LYS 72 Ca 0.28 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 1x4h h LYS 72 Cb -0.07 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.26 1x4h h LYS 72 CO -0.06 0.24 -0.87 0.00 -0.57 0.00 0.00 179.45 178.19 1x4h h LEU 74 N 0.19 -1.14 -1.99 0.00 3.38 -1.10 0.84 115.31 115.49 1x4h h LEU 74 Ca -0.11 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.19 1x4h h LEU 74 Cb 1.55 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 42.61 1x4h h LEU 74 CO 0.17 -0.65 0.66 0.00 0.09 0.00 0.00 178.44 178.70 1x4h h ALA 75 N -1.21 2.85 0.00 1.53 0.00 -1.63 0.47 119.26 121.28 1x4h h ALA 75 Ca -0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1x4h h ALA 75 Cb 0.84 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1x4h h ALA 75 CO 0.06 -1.11 -1.19 0.00 0.00 0.00 0.00 179.25 177.01 1x4h h ALA 76 N 1.55 0.61 0.00 0.00 0.00 -1.30 -3.32 119.26 116.78 1x4h h ALA 76 Ca 0.44 -0.95 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 1x4h h ALA 76 Cb 1.73 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1x4h h ALA 76 CO -0.01 1.13 -0.82 0.00 0.00 0.00 0.00 179.25 179.55 1x4h h ALA 77 N 1.21 0.63 -2.33 0.00 0.00 0.52 -2.52 119.26 116.78 1x4h h ALA 77 Ca -0.12 -0.72 -0.60 0.00 0.00 0.00 0.00 54.91 53.47 1x4h h ALA 77 Cb 1.71 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 1x4h h ALA 77 CO 0.08 0.97 0.40 0.45 0.00 0.00 0.00 179.25 181.15 1x4h s SER 78 N -6.83 6.78 0.00 0.00 0.15 0.15 -3.47 113.70 110.48 1x4h s SER 78 Ca -0.01 0.97 0.19 0.00 0.70 0.00 0.00 55.95 57.80 1x4h s SER 78 Cb 0.11 -2.42 0.86 0.00 -1.71 0.00 0.00 66.02 62.87 1x4h s SER 78 CO 0.80 -0.48 1.61 0.00 1.20 0.00 0.00 173.24 176.38 1x4h n LEU 79 N 5.90 0.00 0.04 3.45 -0.00 -1.26 -2.65 117.00 122.49 1x4h n LEU 79 Ca 0.04 0.45 -0.11 0.00 -0.00 0.00 0.00 56.01 56.39 1x4h n LEU 79 Cb 0.48 -0.45 -0.13 0.00 -0.00 0.00 0.00 43.42 43.32 1x4h n LEU 79 CO 0.46 -0.15 -0.19 -0.08 -0.00 0.00 0.00 177.39 177.43 1x4h h GLU 80 N 0.00 0.09 -7.42 1.47 4.81 -1.91 -3.44 114.58 108.19 1x4h h GLU 80 Ca 0.00 -0.16 -0.50 0.00 -0.13 0.00 0.00 59.36 58.57 1x4h h GLU 80 Cb 0.29 0.06 0.07 0.00 0.63 0.00 0.00 28.75 29.80 1x4h h GLU 80 CO 0.00 0.92 0.41 0.00 -0.73 0.00 0.00 179.01 179.61 1x4h s ALA 81 N -2.65 2.96 0.48 2.92 0.00 -1.08 -5.01 121.76 119.38 1x4h s ALA 81 Ca -0.04 -0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 1x4h s ALA 81 Cb 0.08 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1x4h s ALA 81 CO 0.83 -0.97 1.41 -1.21 0.00 0.00 0.00 175.76 175.83 1x4h s GLU 82 N -5.27 3.49 0.00 0.00 2.02 -1.26 -3.57 118.70 114.11 1x4h s GLU 82 Ca 0.57 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.94 1x4h s GLU 82 Cb -0.11 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1x4h s GLU 82 CO 0.53 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 175.26 1x4h n GLY 83 N 0.62 2.58 0.00 -1.39 0.00 -1.26 -4.73 105.19 101.01 1x4h n GLY 83 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.24 3.67 -0.02 0.00 -1.23 -5.11 105.19 103.73 1x4h n GLY 84 Ca 0.00 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 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 1.73 0.05 -0.02 0.00 -1.21 -4.15 107.32 103.73 1x4h s GLY 85 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 44.72 43.23 1x4h s GLY 85 CO 0.00 -1.37 0.43 1.08 0.00 0.00 0.00 173.10 173.24 1x4h s LEU 86 N -2.94 4.41 -0.03 0.66 1.02 -0.95 -4.92 118.68 115.94 1x4h s LEU 86 Ca 0.27 0.93 -0.00 0.00 0.02 0.00 0.00 54.13 55.35 1x4h s LEU 86 Cb -0.09 -2.84 0.03 0.00 0.02 0.00 0.00 46.19 43.31 1x4h s LEU 86 CO 0.19 0.24 0.03 -0.54 0.02 0.00 0.00 176.35 176.29 1x4h s LYS 87 N -1.51 0.00 -0.51 1.70 1.02 -1.26 -2.02 119.74 117.16 1x4h s LYS 87 Ca 0.29 0.22 -0.09 0.00 0.02 0.00 0.00 55.97 56.41 1x4h s LYS 87 Cb -0.16 -0.35 0.13 0.00 -0.52 0.00 0.00 37.83 36.93 1x4h s LYS 87 CO 0.16 -0.21 0.38 -1.17 -0.92 0.00 0.00 175.35 173.60 1x4h s LEU 88 N 1.35 5.74 -0.62 3.17 2.96 0.06 -4.52 118.68 126.81 1x4h s LEU 88 Ca -0.05 -2.04 -0.03 0.00 -0.22 0.00 0.00 54.13 51.78 1x4h s LEU 88 Cb -0.13 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1x4h s LEU 88 CO -0.03 -0.66 0.44 -0.67 -1.32 0.00 0.00 176.35 174.11 1x4h n ASP 89 N 4.73 -3.81 0.00 3.68 2.03 -1.26 -2.77 116.55 119.14 1x4h n ASP 89 Ca -0.05 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1x4h n ASP 89 Cb 0.41 -2.48 0.00 0.00 -0.72 0.00 0.00 41.12 38.33 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 -1.14 0.50 3.32 0.27 0.00 -1.26 -5.01 105.19 101.87 1x4h n GLY 90 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.10 3.28 0.08 1.61 1.81 -1.12 -5.07 118.95 119.44 1x4h s ARG 91 Ca 0.00 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.00 1x4h s ARG 91 Cb 0.00 -3.12 -0.09 0.00 -0.45 0.00 0.00 34.95 31.28 1x4h s ARG 91 CO 0.00 -0.28 1.82 -1.14 -0.68 0.00 0.00 175.30 175.02 1x4h s GLN 92 N 1.48 4.15 -0.18 3.54 -0.44 -1.26 -0.76 119.66 126.19 1x4h s GLN 92 Ca 0.04 2.52 -0.13 0.00 -2.50 0.00 0.00 55.36 55.30 1x4h s GLN 92 Cb -0.15 -3.76 -0.05 0.00 -1.64 0.00 0.00 33.01 27.41 1x4h s GLN 92 CO -0.01 -0.85 0.26 -0.51 0.50 0.00 0.00 175.29 174.68 1x4h s LEU 93 N 3.24 4.22 -0.46 3.68 1.43 -0.86 -4.59 118.68 125.34 1x4h s LEU 93 Ca 0.81 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.23 1x4h s LEU 93 Cb -0.43 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.58 1x4h s LEU 93 CO 0.36 0.09 0.33 -0.54 0.23 0.00 0.00 176.35 176.82 1x4h s LYS 94 N 0.57 2.59 -0.20 1.70 1.02 -1.16 -4.67 119.74 119.60 1x4h s LYS 94 Ca 0.14 -1.62 -0.13 0.00 0.02 0.00 0.00 55.97 54.38 1x4h s LYS 94 Cb -0.13 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.23 1x4h s LYS 94 CO 0.03 -1.10 0.29 0.08 -0.92 0.00 0.00 175.35 173.73 1x4h s VAL 95 N 1.42 5.29 -0.01 3.17 1.01 -1.24 -0.47 120.40 129.56 1x4h s VAL 95 Ca 0.04 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1x4h s VAL 95 Cb -0.25 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1x4h s VAL 95 CO 0.01 0.33 0.03 -0.62 0.00 0.00 0.00 175.10 174.85 1x4h s ASP 96 N 0.84 0.01 -0.52 3.32 2.15 -0.12 -4.73 116.67 117.62 1x4h s ASP 96 Ca 0.15 -0.02 -0.26 0.00 0.43 0.00 0.00 52.55 52.84 1x4h s ASP 96 Cb -0.14 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.51 1x4h s ASP 96 CO 0.05 -0.07 2.29 -0.22 -0.17 0.00 0.00 175.17 177.05 1x4h s LEU 97 N -0.25 3.38 0.45 -1.34 1.98 -1.26 0.28 118.68 121.91 1x4h s LEU 97 Ca -0.03 0.90 -0.21 0.00 -2.89 0.00 0.00 54.13 51.91 1x4h s LEU 97 Cb -0.02 -2.51 -0.10 0.00 0.66 0.00 0.00 46.19 44.22 1x4h s LEU 97 CO -0.00 -2.78 0.97 0.00 -1.89 0.00 0.00 176.35 172.65 1x4h s ALA 98 N 11.56 2.99 0.35 5.97 0.00 -1.26 -4.93 121.76 136.45 1x4h s ALA 98 Ca 0.91 0.45 0.06 0.00 0.00 0.00 0.00 51.96 53.37 1x4h s ALA 98 Cb -0.16 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1x4h s ALA 98 CO 0.25 -0.00 0.48 1.33 0.00 0.00 0.00 175.76 177.81 1x4h n VAL 99 N -0.76 0.00 -1.56 0.00 0.24 -1.26 -4.55 118.33 110.44 1x4h n VAL 99 Ca 0.08 -1.17 -0.19 0.00 -2.04 0.00 0.00 64.34 61.01 1x4h n VAL 99 Cb 0.54 -0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 1x4h n VAL 99 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1x4h s THR 100 N -1.18 3.00 -0.15 3.34 -4.23 -1.26 -4.69 115.64 110.47 1x4h s THR 100 Ca 0.36 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1x4h s THR 100 Cb -0.03 -3.01 -0.23 0.00 1.34 0.00 0.00 72.50 70.57 1x4h s THR 100 CO 0.23 -0.01 0.22 -1.14 -0.54 0.00 0.00 174.62 173.38 1x4h n ARG 101 N 8.87 0.71 -1.94 3.99 0.63 -1.26 -4.78 116.66 122.89 1x4h n ARG 101 Ca 0.44 0.22 -0.31 0.00 -0.92 0.00 0.00 57.85 57.29 1x4h n ARG 101 Cb 0.46 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 31.67 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 -6.70 4.97 -0.83 6.15 -4.77 -1.26 -4.89 116.67 109.34 1x4h s ASP 102 Ca -0.23 -0.04 -0.25 0.00 -3.30 0.00 0.00 52.55 48.73 1x4h s ASP 102 Cb 0.07 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.35 1x4h s ASP 102 CO 0.73 -2.75 1.77 -0.70 0.70 0.00 0.00 175.17 174.92 1x4h s GLU 103 N 7.36 2.82 0.01 2.11 2.12 -1.26 -4.89 118.70 126.98 1x4h s GLU 103 Ca 0.74 -0.20 -0.28 0.00 0.36 0.00 0.00 54.97 55.59 1x4h s GLU 103 Cb -0.11 -4.85 0.07 0.00 0.26 0.00 0.00 34.13 29.50 1x4h s GLU 103 CO 0.11 -2.88 0.64 0.00 -0.54 0.00 0.00 175.26 172.60 1x4h s ALA 104 N 8.47 -1.69 0.38 6.30 0.00 -1.26 -5.14 121.76 128.82 1x4h s ALA 104 Ca 0.61 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 53.39 1x4h s ALA 104 Cb -0.07 0.27 -0.14 0.00 0.00 0.00 0.00 23.12 23.17 1x4h s ALA 104 CO 0.05 -0.49 0.37 0.00 0.00 0.00 0.00 175.76 175.69 1x4h n ALA 105 N 0.53 -2.23 -3.40 0.00 0.00 -1.26 -4.99 120.51 109.16 1x4h n ALA 105 Ca -0.18 0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1x4h n ALA 105 Cb 0.59 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1x4h n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x4h s SER 106 N -0.97 -0.51 0.00 0.00 1.04 -1.26 -5.14 113.70 106.86 1x4h s SER 106 Ca 0.62 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1x4h s SER 106 Cb -0.66 1.62 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1x4h s SER 106 CO 0.60 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1x4h n GLY 107 N 5.40 4.58 3.56 7.32 0.00 -1.26 -5.06 105.19 119.74 1x4h n GLY 107 Ca -0.05 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.79 2.83 -0.63 1.61 0.04 -1.26 -4.95 135.00 128.85 1x4h s PRO 108 Ca 0.00 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 61.61 1x4h s PRO 108 Cb 0.00 -4.33 0.05 0.00 0.04 0.00 0.00 34.50 30.27 1x4h s PRO 108 CO 0.00 -2.48 1.00 -1.12 0.04 0.00 0.00 177.00 174.44 1x4h s SER 109 N 7.44 6.23 -0.53 6.66 0.01 -1.26 -4.97 113.70 127.29 1x4h s SER 109 Ca 0.70 -0.69 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 1x4h s SER 109 Cb -0.15 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 1x4h s SER 109 CO 0.24 -1.42 2.43 -1.54 0.41 0.00 0.00 173.24 173.36 1x4h n SER 110 N 7.85 2.13 -0.07 2.44 3.41 -1.26 -5.30 113.62 122.82 1x4h n SER 110 Ca -0.01 -0.33 0.16 0.00 -0.26 0.00 0.00 58.87 58.43 1x4h n SER 110 Cb 0.47 -1.49 0.89 0.00 -0.26 0.00 0.00 64.21 63.82 1x4h n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49