#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4h h SER 2 N 0.00 -1.03 -2.63 1.61 0.87 -2.14 -3.42 113.55 106.81 1x4h h SER 2 Ca 0.00 0.12 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 1x4h h SER 2 Cb 0.00 0.39 -0.31 0.00 -0.44 0.00 0.00 62.40 62.03 1x4h h SER 2 CO 0.00 -0.44 -0.50 -0.94 -0.53 0.00 0.00 176.83 174.42 1x4h s SER 3 N -4.74 0.32 -0.03 6.23 1.04 -1.26 -5.15 113.70 110.11 1x4h s SER 3 Ca -0.16 0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 1x4h s SER 3 Cb 0.08 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 1x4h s SER 3 CO 0.64 -0.25 0.14 -0.83 0.98 0.00 0.00 173.24 173.91 1x4h s GLY 4 N 2.47 2.11 -0.32 7.32 0.00 -1.26 -5.08 107.32 112.56 1x4h s GLY 4 Ca 0.03 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1x4h s GLY 4 CO -0.11 -0.63 0.06 -0.56 0.00 0.00 0.00 173.10 171.87 1x4h s SER 5 N -1.69 4.41 0.11 1.64 0.01 -1.26 -4.99 113.70 111.94 1x4h s SER 5 Ca 0.23 -1.89 -0.18 0.00 1.31 0.00 0.00 55.95 55.42 1x4h s SER 5 Cb -0.12 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.77 1x4h s SER 5 CO 0.14 -0.39 1.68 0.28 0.41 0.00 0.00 173.24 175.36 1x4h h SER 6 N 7.83 0.37 0.00 2.44 0.02 -2.09 -3.48 113.55 118.63 1x4h h SER 6 Ca -0.09 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1x4h h SER 6 Cb 1.02 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1x4h h SER 6 CO 0.49 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 1x4h n GLY 7 N -0.82 0.13 3.29 -3.77 0.00 -1.26 -5.04 105.19 97.72 1x4h n GLY 7 Ca -0.02 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 -2.66 -4.55 0.99 -0.00 -1.26 -4.74 117.00 104.77 1x4h n LEU 8 Ca 0.00 0.66 -0.34 0.00 -0.00 0.00 0.00 56.01 56.33 1x4h n LEU 8 Cb 0.00 -0.93 -0.04 0.00 -0.00 0.00 0.00 43.42 42.46 1x4h n LEU 8 CO 0.00 -4.41 1.50 -2.16 -0.00 0.00 0.00 177.39 172.32 1x4h s PRO 9 N -1.30 2.59 0.26 1.47 0.04 -1.26 -4.89 135.00 131.91 1x4h s PRO 9 Ca 0.59 0.24 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 1x4h s PRO 9 Cb -0.48 -4.67 0.03 0.00 0.04 0.00 0.00 34.50 29.43 1x4h s PRO 9 CO 0.64 -3.00 0.69 0.45 0.04 0.00 0.00 177.00 175.82 1x4h s SER 10 N 8.09 -0.31 -0.27 6.66 0.15 -1.26 -5.14 113.70 121.61 1x4h s SER 10 Ca 0.68 -0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.69 1x4h s SER 10 Cb -0.10 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1x4h s SER 10 CO 0.12 -1.27 0.30 -1.81 1.20 0.00 0.00 173.24 171.78 1x4h s ASP 11 N -2.89 6.17 -0.09 5.45 1.01 -1.26 -5.07 116.67 119.98 1x4h s ASP 11 Ca 0.09 0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.52 1x4h s ASP 11 Cb -0.05 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1x4h s ASP 11 CO 0.03 -0.13 -0.01 0.54 0.21 0.00 0.00 175.17 175.82 1x4h s VAL 12 N 1.92 4.24 0.29 -1.27 0.11 -1.26 -5.12 120.40 119.31 1x4h s VAL 12 Ca 0.12 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1x4h s VAL 12 Cb -0.16 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 1x4h s VAL 12 CO 0.10 0.59 0.12 0.42 -3.33 0.00 0.00 175.10 173.00 1x4h s THR 13 N -0.73 0.50 -0.85 5.04 -4.23 -1.26 -5.10 115.64 109.00 1x4h s THR 13 Ca 0.11 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1x4h s THR 13 Cb -0.12 -2.58 0.22 0.00 1.34 0.00 0.00 72.50 71.36 1x4h s THR 13 CO 0.02 0.00 0.76 -1.61 -0.54 0.00 0.00 174.62 173.25 1x4h s GLU 14 N -3.93 3.37 -0.35 3.99 2.02 -1.26 -4.86 118.70 117.69 1x4h s GLU 14 Ca 0.36 -2.88 0.14 0.00 0.02 0.00 0.00 54.97 52.61 1x4h s GLU 14 Cb 0.06 -4.14 0.45 0.00 0.10 0.00 0.00 34.13 30.61 1x4h s GLU 14 CO 0.15 -1.24 1.05 0.41 0.02 0.00 0.00 175.26 175.65 1x4h n GLY 15 N 3.11 3.44 3.09 -1.39 0.00 -1.26 -5.04 105.19 107.14 1x4h n GLY 15 Ca 0.17 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.40 2.74 0.07 1.61 1.02 -1.26 -4.90 119.74 115.63 1x4h s LYS 16 Ca 0.36 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1x4h s LYS 16 Cb 0.42 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1x4h s LYS 16 CO -0.04 -0.28 0.01 0.99 -0.92 0.00 0.00 175.35 175.10 1x4h s THR 17 N 1.29 0.18 -0.27 2.17 2.01 -1.26 -4.05 115.64 115.71 1x4h s THR 17 Ca 0.03 -1.81 -0.11 0.00 0.31 0.00 0.00 61.69 60.11 1x4h s THR 17 Cb -0.14 -1.66 0.11 0.00 0.01 0.00 0.00 72.50 70.82 1x4h s THR 17 CO -0.11 -0.84 0.60 0.68 -0.69 0.00 0.00 174.62 174.26 1x4h s VAL 18 N -3.95 -0.62 -0.20 3.82 -7.23 -0.54 -4.06 120.40 107.62 1x4h s VAL 18 Ca 0.12 0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.31 1x4h s VAL 18 Cb 0.08 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1x4h s VAL 18 CO -0.07 0.02 -0.12 0.12 -0.31 0.00 0.00 175.10 174.74 1x4h s PHE 19 N 2.42 2.87 -0.09 2.82 5.36 0.12 0.04 117.98 131.51 1x4h s PHE 19 Ca -0.07 -1.22 -0.15 0.00 -0.96 0.00 0.00 56.93 54.53 1x4h s PHE 19 Cb -0.10 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.53 1x4h s PHE 19 CO -0.18 -0.64 0.36 0.42 -1.46 0.00 0.00 175.22 173.73 1x4h s ILE 20 N 1.32 5.20 0.16 3.12 1.09 -0.00 -0.99 121.20 131.09 1x4h s ILE 20 Ca 0.04 0.72 0.11 0.00 -1.10 0.00 0.00 60.65 60.42 1x4h s ILE 20 Cb -0.14 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1x4h s ILE 20 CO -0.07 0.45 -0.25 -0.13 -0.10 0.00 0.00 174.94 174.85 1x4h s ARG 21 N -0.12 1.43 -0.54 2.79 0.52 0.88 -1.70 118.95 122.21 1x4h s ARG 21 Ca 0.21 -1.42 -0.03 0.00 -0.52 0.00 0.00 55.73 53.97 1x4h s ARG 21 Cb -0.15 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1x4h s ARG 21 CO 0.09 0.41 0.46 -1.71 0.02 0.00 0.00 175.30 174.57 1x4h n ASN 22 N 0.62 -3.41 -4.84 0.23 5.15 0.83 -1.47 115.26 112.37 1x4h n ASN 22 Ca -0.16 -0.22 -0.31 0.00 -0.60 0.00 0.00 54.58 53.29 1x4h n ASN 22 Cb 0.54 -2.34 0.02 0.00 -0.53 0.00 0.00 39.78 37.47 1x4h n ASN 22 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4h s LEU 23 N -3.59 3.26 -0.03 1.20 1.43 0.62 -4.50 118.68 117.07 1x4h s LEU 23 Ca 0.19 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.76 1x4h s LEU 23 Cb -0.08 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 1x4h s LEU 23 CO 0.29 -1.07 0.23 -0.55 0.23 0.00 0.00 176.35 175.49 1x4h s SER 24 N -3.79 6.48 0.34 2.29 0.15 -1.26 -4.38 113.70 113.52 1x4h s SER 24 Ca 0.57 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.83 1x4h s SER 24 Cb -0.12 -2.09 0.73 0.00 -1.71 0.00 0.00 66.02 62.83 1x4h s SER 24 CO 0.50 0.30 1.89 -0.26 1.20 0.00 0.00 173.24 176.88 1x4h h PHE 25 N 4.30 0.87 -0.40 3.44 0.04 -1.87 -0.41 116.94 122.90 1x4h h PHE 25 Ca -0.51 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.21 1x4h h PHE 25 Cb 1.21 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1x4h h PHE 25 CO 0.70 0.38 -0.05 -0.44 -0.60 0.00 0.00 178.31 178.31 1x4h h ASP 26 N 0.79 0.65 -2.83 2.17 3.32 -1.94 -3.41 116.42 115.17 1x4h h ASP 26 Ca 0.41 -0.16 -0.59 0.00 0.02 0.00 0.00 57.03 56.71 1x4h h ASP 26 Cb 0.51 -0.17 0.16 0.00 0.22 0.00 0.00 39.33 40.04 1x4h h ASP 26 CO -0.18 0.75 -0.27 -0.24 -1.72 0.00 0.00 179.24 177.58 1x4h n SER 27 N -4.21 -0.50 -4.20 6.45 2.88 -0.16 -5.01 113.62 108.86 1x4h n SER 27 Ca 0.02 0.84 -0.16 0.00 -1.33 0.00 0.00 58.87 58.24 1x4h n SER 27 Cb 0.31 -1.20 -0.11 0.00 -0.75 0.00 0.00 64.21 62.46 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 -1.96 0.92 0.34 -1.46 2.02 -1.26 -4.95 118.70 112.35 1x4h s GLU 28 Ca 0.67 -1.20 0.10 0.00 0.02 0.00 0.00 54.97 54.56 1x4h s GLU 28 Cb -0.51 -0.68 0.85 0.00 0.10 0.00 0.00 34.13 33.90 1x4h s GLU 28 CO 0.55 0.12 1.79 1.49 0.02 0.00 0.00 175.26 179.23 1x4h h GLU 29 N 3.53 0.63 0.16 1.61 4.81 -1.94 0.27 114.58 123.65 1x4h h GLU 29 Ca -0.38 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1x4h h GLU 29 Cb 1.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1x4h h GLU 29 CO 0.52 0.42 -0.08 1.49 -0.73 0.00 0.00 179.01 180.63 1x4h h GLU 30 N 0.65 -0.21 0.48 1.92 4.81 -1.96 -2.27 114.58 118.01 1x4h h GLU 30 Ca 0.56 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.78 1x4h h GLU 30 Cb 1.03 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1x4h h GLU 30 CO -0.33 0.01 -0.23 0.00 -0.73 0.00 0.00 179.01 177.73 1x4h h ALA 31 N 0.39 -0.65 -0.78 2.92 0.00 -1.67 -1.52 119.26 117.96 1x4h h ALA 31 Ca -0.02 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1x4h h ALA 31 Cb 0.32 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 1x4h h ALA 31 CO 0.04 -0.77 -0.26 1.25 0.00 0.00 0.00 179.25 179.50 1x4h h LEU 32 N -0.84 -0.95 0.25 0.00 6.46 -0.58 -0.89 115.31 118.77 1x4h h LEU 32 Ca -0.07 0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1x4h h LEU 32 Cb 0.58 0.55 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1x4h h LEU 32 CO 0.11 -0.28 -0.12 1.23 -0.62 0.00 0.00 178.44 178.76 1x4h h GLY 33 N -0.04 -0.36 1.22 3.75 0.00 -1.37 -2.20 103.07 104.07 1x4h h GLY 33 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1x4h h GLY 33 CO -0.81 -0.13 0.33 0.83 0.00 0.00 0.00 176.54 176.76 1x4h h GLU 34 N -0.48 0.00 0.09 4.80 5.08 -0.14 0.24 114.58 124.17 1x4h h GLU 34 Ca -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1x4h h GLU 34 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1x4h h GLU 34 CO 0.06 0.00 -1.06 0.28 -1.00 0.00 0.00 179.01 177.29 1x4h h VAL 35 N 0.00 1.23 0.00 3.13 2.07 -0.59 -3.36 116.25 118.73 1x4h h VAL 35 Ca 0.00 -2.39 -0.15 0.00 0.82 0.00 0.00 66.70 64.98 1x4h h VAL 35 Cb 0.66 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1x4h h VAL 35 CO 0.00 0.64 -0.73 -0.07 0.02 0.00 0.00 177.57 177.43 1x4h h LEU 36 N -0.52 0.00 -1.95 2.57 3.38 -0.59 -3.13 115.31 115.07 1x4h h LEU 36 Ca -0.23 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.88 1x4h h LEU 36 Cb 1.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1x4h h LEU 36 CO 0.03 0.73 0.37 1.56 0.09 0.00 0.00 178.44 181.22 1x4h h GLN 37 N 0.00 0.05 -1.20 1.13 4.20 -0.79 -0.99 115.11 117.51 1x4h h GLN 37 Ca -0.01 -0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.04 1x4h h GLN 37 Cb 1.32 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.02 1x4h h GLN 37 CO 0.09 0.03 0.84 -0.56 -0.67 0.00 0.00 178.83 178.57 1x4h h GLN 38 N 0.05 0.10 0.08 1.46 3.07 -1.68 0.01 115.11 118.20 1x4h h GLN 38 Ca 0.24 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.77 1x4h h GLN 38 Cb 0.91 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.44 1x4h h GLN 38 CO -0.02 0.07 -1.05 0.74 0.09 0.00 0.00 178.83 178.66 1x4h h PHE 39 N 0.11 0.31 -2.22 0.06 0.04 -1.42 -3.49 116.94 110.33 1x4h h PHE 39 Ca 0.61 -0.23 0.15 0.00 2.80 0.00 0.00 57.97 61.31 1x4h h PHE 39 Cb 2.18 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 40.19 1x4h h PHE 39 CO -0.00 1.41 0.52 0.20 -0.60 0.00 0.00 178.31 179.84 1x4h s GLY 40 N -4.74 -0.37 0.17 -1.45 0.00 -0.01 -4.88 107.32 96.04 1x4h s GLY 40 Ca -0.20 0.70 -0.33 0.00 0.00 0.00 0.00 44.72 44.88 1x4h s GLY 40 CO 0.73 0.21 1.47 1.22 0.00 0.00 0.00 173.10 176.74 1x4h n ASP 41 N -0.33 2.68 -4.53 1.64 9.92 -1.26 -4.07 116.55 120.60 1x4h n ASP 41 Ca -0.07 1.11 -0.42 0.00 -0.53 0.00 0.00 54.79 54.87 1x4h n ASP 41 Cb 0.61 -1.38 -0.08 0.00 -0.64 0.00 0.00 41.12 39.63 1x4h n ASP 41 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1x4h s LEU 42 N 0.60 4.53 0.19 0.64 1.43 -1.26 -0.32 118.68 124.50 1x4h s LEU 42 Ca 0.76 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1x4h s LEU 42 Cb -0.72 -2.55 0.18 0.00 0.03 0.00 0.00 46.19 43.13 1x4h s LEU 42 CO 0.43 -0.57 1.76 0.50 0.23 0.00 0.00 176.35 178.70 1x4h h LYS 43 N 8.64 0.39 -1.80 1.70 1.63 0.97 -3.45 116.57 124.64 1x4h h LYS 43 Ca -0.27 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.51 1x4h h LYS 43 Cb 1.12 -0.09 -0.22 0.00 -0.60 0.00 0.00 32.23 32.44 1x4h h LYS 43 CO 0.80 0.25 0.32 1.52 -3.45 0.00 0.00 179.45 178.90 1x4h s TYR 44 N -6.12 -0.58 -0.15 1.91 -0.85 -1.14 -5.00 117.35 105.42 1x4h s TYR 44 Ca -0.13 1.21 -0.01 0.00 -0.52 0.00 0.00 57.07 57.61 1x4h s TYR 44 Cb 0.15 0.38 0.04 0.00 0.38 0.00 0.00 41.96 42.90 1x4h s TYR 44 CO 0.73 -0.40 -0.02 0.54 -1.52 0.00 0.00 175.55 174.88 1x4h s VAL 45 N -0.47 0.76 -0.07 -3.49 0.11 -1.26 -0.84 120.40 115.14 1x4h s VAL 45 Ca -0.03 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1x4h s VAL 45 Cb -0.02 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1x4h s VAL 45 CO 0.02 0.07 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.09 1x4h s ARG 46 N 1.78 2.21 -0.26 1.54 3.52 -0.03 -5.00 118.95 122.71 1x4h s ARG 46 Ca 0.01 -0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1x4h s ARG 46 Cb -0.15 -1.77 0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1x4h s ARG 46 CO -0.07 0.13 -0.07 0.54 -0.81 0.00 0.00 175.30 175.02 1x4h s VAL 47 N 0.42 2.66 0.47 7.11 0.11 -1.26 -0.58 120.40 129.32 1x4h s VAL 47 Ca -0.14 -1.29 -0.24 0.00 -2.93 0.00 0.00 61.98 57.38 1x4h s VAL 47 Cb -0.16 -2.44 -0.08 0.00 -1.53 0.00 0.00 36.38 32.17 1x4h s VAL 47 CO 0.05 0.07 1.37 0.55 -3.33 0.00 0.00 175.10 173.81 1x4h n VAL 48 N 4.59 3.04 -4.40 2.04 3.14 -1.25 -4.91 118.33 120.57 1x4h n VAL 48 Ca -0.15 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.48 1x4h n VAL 48 Cb 0.45 -1.73 -0.10 0.00 -1.06 0.00 0.00 33.84 31.41 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 -2.65 2.76 0.38 6.55 1.43 -1.26 -2.81 118.68 123.08 1x4h s LEU 49 Ca 0.64 -0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 1x4h s LEU 49 Cb -0.45 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.34 1x4h s LEU 49 CO 0.55 0.05 1.38 -2.28 0.23 0.00 0.00 176.35 176.29 1x4h s HIS 50 N -2.22 2.76 0.27 0.29 2.46 -1.02 -4.85 115.29 112.99 1x4h s HIS 50 Ca 0.28 1.31 0.04 0.00 0.47 0.00 0.00 55.06 57.16 1x4h s HIS 50 Cb -0.06 -3.83 0.36 0.00 -0.13 0.00 0.00 32.58 28.91 1x4h s HIS 50 CO 0.15 -2.44 1.64 -1.00 -2.47 0.00 0.00 174.74 170.63 1x4h h PRO 51 N 2.97 0.31 0.08 2.88 0.13 -1.99 -3.29 132.00 133.09 1x4h h PRO 51 Ca -0.50 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1x4h h PRO 51 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x4h h PRO 51 CO 0.64 0.71 -0.04 0.22 -0.23 0.00 0.00 178.00 179.30 1x4h h ASP 52 N 0.25 -0.09 -2.86 1.44 1.82 -1.99 -3.48 116.42 111.52 1x4h h ASP 52 Ca 0.02 -0.52 -0.57 0.00 -0.39 0.00 0.00 57.03 55.57 1x4h h ASP 52 Cb 0.90 0.02 -0.13 0.00 0.68 0.00 0.00 39.33 40.80 1x4h h ASP 52 CO 0.07 0.58 -0.52 0.28 -1.61 0.00 0.00 179.24 178.04 1x4h s THR 53 N -3.04 0.67 -0.22 2.25 -1.32 -1.24 -5.02 115.64 107.72 1x4h s THR 53 Ca -0.14 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.36 1x4h s THR 53 Cb -0.00 -2.34 0.20 0.00 -1.51 0.00 0.00 72.50 68.84 1x4h s THR 53 CO 0.52 0.00 1.20 -0.62 -2.21 0.00 0.00 174.62 173.51 1x4h n GLU 54 N -0.94 1.47 -2.18 7.08 1.02 -1.26 -3.42 120.64 122.40 1x4h n GLU 54 Ca -0.07 -0.86 -0.43 0.00 -0.02 0.00 0.00 57.16 55.78 1x4h n GLU 54 Cb 0.65 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1x4h s HIS 55 N -1.02 2.15 -0.44 -0.32 3.76 -1.26 -4.81 115.29 113.34 1x4h s HIS 55 Ca 0.16 0.64 -0.32 0.00 -0.15 0.00 0.00 55.06 55.39 1x4h s HIS 55 Cb 0.13 -4.16 -0.11 0.00 1.11 0.00 0.00 32.58 29.55 1x4h s HIS 55 CO 0.03 -2.49 2.30 0.45 -0.85 0.00 0.00 174.74 174.19 1x4h n SER 56 N 9.21 2.07 -4.32 1.40 2.88 -1.26 -2.42 113.62 121.18 1x4h n SER 56 Ca 0.19 0.17 -0.34 0.00 -1.33 0.00 0.00 58.87 57.56 1x4h n SER 56 Cb 0.47 -1.32 0.09 0.00 -0.75 0.00 0.00 64.21 62.70 1x4h n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x4h n LYS 57 N 8.47 -0.17 -0.27 -1.46 4.76 -1.12 -4.30 118.16 124.07 1x4h n LYS 57 Ca 0.42 -0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.81 1x4h n LYS 57 Cb 0.29 -1.63 0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4h n GLY 58 N 2.01 2.50 3.47 0.72 0.00 -1.26 -4.71 105.19 107.92 1x4h n GLY 58 Ca 0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.66 -1.22 -0.02 0.00 0.00 -0.69 -3.95 121.76 113.22 1x4h s ALA 60 Ca -0.03 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.08 1x4h s ALA 60 Cb -0.01 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1x4h s ALA 60 CO -0.04 -0.79 -0.25 -0.06 0.00 0.00 0.00 175.76 174.62 1x4h s PHE 61 N -3.82 2.35 0.21 0.00 0.40 0.25 -0.82 117.98 116.55 1x4h s PHE 61 Ca 0.05 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1x4h s PHE 61 Cb -0.01 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1x4h s PHE 61 CO -0.07 -0.04 0.09 0.00 0.70 0.00 0.00 175.22 175.90 1x4h s ALA 62 N -0.59 1.34 -0.06 5.36 0.00 0.11 -0.85 121.76 127.07 1x4h s ALA 62 Ca 0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.31 1x4h s ALA 62 Cb -0.10 1.11 0.04 0.00 0.00 0.00 0.00 23.12 24.16 1x4h s ALA 62 CO -0.01 -0.50 0.11 -1.14 0.00 0.00 0.00 175.76 174.22 1x4h s GLN 63 N -4.07 0.00 0.78 0.00 0.74 -0.02 -1.47 119.66 115.62 1x4h s GLN 63 Ca 0.35 0.42 -0.10 0.00 0.05 0.00 0.00 55.36 56.08 1x4h s GLN 63 Cb 0.07 -0.31 0.09 0.00 1.10 0.00 0.00 33.01 33.96 1x4h s GLN 63 CO 0.10 -0.26 1.12 -0.06 -0.55 0.00 0.00 175.29 175.64 1x4h s PHE 64 N 1.86 2.68 -2.05 1.67 0.08 -1.26 0.13 117.98 121.09 1x4h s PHE 64 Ca -0.01 0.51 0.24 0.00 0.12 0.00 0.00 56.93 57.79 1x4h s PHE 64 Cb -0.12 -3.44 0.18 0.00 -0.57 0.00 0.00 43.02 39.07 1x4h s PHE 64 CO -0.05 -1.75 1.21 -1.33 -0.10 0.00 0.00 175.22 173.21 1x4h n MET 65 N -3.19 1.22 -3.72 0.44 2.81 0.57 -4.22 117.12 111.02 1x4h n MET 65 Ca 0.09 -0.96 -0.12 0.00 -1.81 0.00 0.00 57.70 54.91 1x4h n MET 65 Cb 0.61 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.53 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 -2.44 -0.01 0.22 2.03 -4.23 -1.26 -5.03 115.64 104.92 1x4h s THR 66 Ca 0.21 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1x4h s THR 66 Cb 0.18 -0.56 0.20 0.00 1.34 0.00 0.00 72.50 73.67 1x4h s THR 66 CO 0.54 0.02 1.68 1.56 -0.54 0.00 0.00 174.62 177.88 1x4h h GLN 67 N 6.16 0.21 -0.55 3.99 1.08 -1.91 -0.70 115.11 123.39 1x4h h GLN 67 Ca -0.31 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1x4h h GLN 67 Cb 1.18 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 28.48 1x4h h GLN 67 CO 0.28 0.14 0.08 1.49 -0.95 0.00 0.00 178.83 179.86 1x4h h GLU 68 N 0.21 0.20 -0.08 1.46 4.57 -1.99 -2.79 114.58 116.16 1x4h h GLU 68 Ca 0.36 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1x4h h GLU 68 Cb 0.58 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1x4h h GLU 68 CO -0.49 0.13 -0.21 0.00 -1.18 0.00 0.00 179.01 177.26 1x4h h ALA 69 N 1.45 -0.58 -0.98 2.92 0.00 -1.46 0.19 119.26 120.79 1x4h h ALA 69 Ca 0.28 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.36 1x4h h ALA 69 Cb 0.41 0.78 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1x4h h ALA 69 CO -0.39 -0.67 -0.28 0.00 0.00 0.00 0.00 179.25 177.91 1x4h h ALA 70 N -0.94 0.52 -0.79 0.00 0.00 -1.40 0.75 119.26 117.39 1x4h h ALA 70 Ca 0.02 0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1x4h h ALA 70 Cb 0.26 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1x4h h ALA 70 CO -0.19 -0.45 0.48 1.96 0.00 0.00 0.00 179.25 181.05 1x4h h GLN 71 N -0.00 1.07 0.00 0.00 1.08 -1.11 -1.38 115.11 114.77 1x4h h GLN 71 Ca 0.44 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 1x4h h GLN 71 Cb 0.69 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1x4h h GLN 71 CO -1.00 0.76 -0.07 0.87 -0.95 0.00 0.00 178.83 178.43 1x4h h LYS 72 N 1.08 0.00 0.12 1.46 1.57 0.35 -2.14 116.57 119.02 1x4h h LYS 72 Ca 0.28 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.79 1x4h h LYS 72 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1x4h h LYS 72 CO -0.05 0.07 -1.22 0.00 -0.57 0.00 0.00 179.45 177.67 1x4h h LEU 74 N 0.14 -0.51 -1.62 0.00 3.38 -0.86 0.53 115.31 116.38 1x4h h LEU 74 Ca -0.15 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.10 1x4h h LEU 74 Cb 1.92 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.77 1x4h h LEU 74 CO 0.21 -0.34 0.90 0.00 0.09 0.00 0.00 178.44 179.31 1x4h h ALA 75 N -1.66 2.77 0.06 1.53 0.00 -1.67 0.95 119.26 121.23 1x4h h ALA 75 Ca -0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1x4h h ALA 75 Cb 0.46 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1x4h h ALA 75 CO 0.10 -1.37 -1.75 0.00 0.00 0.00 0.00 179.25 176.23 1x4h h ALA 76 N 1.05 0.59 0.00 0.00 0.00 -1.51 -3.34 119.26 116.04 1x4h h ALA 76 Ca 0.43 -1.38 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 1x4h h ALA 76 Cb 2.24 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 20.53 1x4h h ALA 76 CO -0.00 1.43 -0.07 0.00 0.00 0.00 0.00 179.25 180.61 1x4h h ALA 77 N 0.64 0.96 -1.82 0.00 0.00 0.59 -2.67 119.26 116.96 1x4h h ALA 77 Ca -0.31 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.87 1x4h h ALA 77 Cb 2.01 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.62 1x4h h ALA 77 CO 0.10 0.08 0.44 0.45 0.00 0.00 0.00 179.25 180.32 1x4h s SER 78 N -6.19 6.28 0.30 0.00 0.15 0.17 -4.17 113.70 110.24 1x4h s SER 78 Ca 0.06 -1.39 0.05 0.00 0.70 0.00 0.00 55.95 55.37 1x4h s SER 78 Cb 0.06 -2.37 0.74 0.00 -1.71 0.00 0.00 66.02 62.74 1x4h s SER 78 CO 0.67 -1.24 1.75 0.17 1.20 0.00 0.00 173.24 175.79 1x4h h LEU 79 N 10.61 0.65 -0.95 3.45 -0.00 -1.80 0.10 115.31 127.37 1x4h h LEU 79 Ca -0.20 0.12 0.17 0.00 -0.00 0.00 0.00 57.88 57.97 1x4h h LEU 79 Cb 1.07 0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 41.64 1x4h h LEU 79 CO 1.13 0.18 0.54 1.05 -0.00 0.00 0.00 178.44 181.34 1x4h h GLU 80 N 0.64 0.70 -6.75 0.17 4.11 -1.90 -3.42 114.58 108.12 1x4h h GLU 80 Ca 0.58 -0.04 -0.57 0.00 0.07 0.00 0.00 59.36 59.39 1x4h h GLU 80 Cb 0.97 -0.16 0.14 0.00 0.50 0.00 0.00 28.75 30.20 1x4h h GLU 80 CO -0.43 0.46 0.24 0.00 0.07 0.00 0.00 179.01 179.36 1x4h n ALA 81 N -2.37 0.50 -1.61 1.06 0.00 0.36 -4.82 120.51 113.63 1x4h n ALA 81 Ca 0.21 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 53.38 1x4h n ALA 81 Cb 0.51 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 1x4h n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x4h n GLU 82 N -0.24 2.13 0.00 0.00 -0.58 -1.26 -3.94 120.64 116.75 1x4h n GLU 82 Ca 0.10 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1x4h n GLU 82 Cb 0.42 -3.07 0.00 0.00 -0.57 0.00 0.00 31.44 28.21 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x4h n GLY 83 N 5.44 1.00 3.80 0.62 0.00 -1.26 -5.06 105.19 109.72 1x4h n GLY 83 Ca 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.11 0.21 -0.02 0.00 -1.25 -5.13 107.32 101.02 1x4h s GLY 84 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 44.72 44.84 1x4h s GLY 84 CO 0.00 1.27 -0.20 -0.32 0.00 0.00 0.00 173.10 173.84 1x4h s GLY 85 N -3.18 1.65 0.23 0.20 0.00 -1.25 -4.30 107.32 100.67 1x4h s GLY 85 Ca 0.17 -1.67 -0.19 0.00 0.00 0.00 0.00 44.72 43.03 1x4h s GLY 85 CO 0.03 -1.73 0.73 1.08 0.00 0.00 0.00 173.10 173.20 1x4h s LEU 86 N -2.98 4.32 -0.10 0.66 1.02 -1.01 -4.95 118.68 115.64 1x4h s LEU 86 Ca 0.22 1.41 -0.07 0.00 0.02 0.00 0.00 54.13 55.72 1x4h s LEU 86 Cb -0.06 -3.64 0.04 0.00 0.02 0.00 0.00 46.19 42.55 1x4h s LEU 86 CO 0.10 0.01 0.25 -0.54 0.02 0.00 0.00 176.35 176.18 1x4h s LYS 87 N -2.07 0.24 -0.26 1.70 1.02 -1.26 -2.59 119.74 116.52 1x4h s LYS 87 Ca 0.44 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.91 1x4h s LYS 87 Cb -0.16 -0.01 0.06 0.00 -0.52 0.00 0.00 37.83 37.20 1x4h s LYS 87 CO 0.21 -0.11 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.26 1x4h s LEU 88 N 0.76 3.43 -1.26 3.17 2.96 -0.04 -4.71 118.68 123.00 1x4h s LEU 88 Ca -0.05 -1.42 -0.08 0.00 -0.22 0.00 0.00 54.13 52.37 1x4h s LEU 88 Cb -0.07 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.12 1x4h s LEU 88 CO -0.05 -0.20 1.00 0.47 -1.32 0.00 0.00 176.35 176.24 1x4h n ASP 89 N 4.44 -5.94 -0.60 3.68 9.92 -1.26 -2.21 116.55 124.58 1x4h n ASP 89 Ca -0.13 -0.45 -0.05 0.00 -0.53 0.00 0.00 54.79 53.62 1x4h n ASP 89 Cb 0.42 -4.59 -0.00 0.00 -0.64 0.00 0.00 41.12 36.31 1x4h n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4h n GLY 90 N -1.81 0.22 3.02 0.44 0.00 -1.26 -5.03 105.19 100.76 1x4h n GLY 90 Ca -0.01 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.07 1.99 -0.45 1.61 1.81 -0.94 -5.09 118.95 113.80 1x4h s ARG 91 Ca 0.00 -0.47 -0.28 0.00 -1.72 0.00 0.00 55.73 53.26 1x4h s ARG 91 Cb 0.00 -1.75 -0.01 0.00 -0.45 0.00 0.00 34.95 32.74 1x4h s ARG 91 CO 0.00 -0.10 1.67 -1.14 -0.68 0.00 0.00 175.30 175.05 1x4h s GLN 92 N 1.11 3.21 -0.14 3.54 -0.44 -1.26 -0.86 119.66 124.82 1x4h s GLN 92 Ca -0.05 0.97 -0.29 0.00 -2.50 0.00 0.00 55.36 53.49 1x4h s GLN 92 Cb -0.14 -4.19 -0.01 0.00 -1.64 0.00 0.00 33.01 27.03 1x4h s GLN 92 CO -0.03 -2.01 1.03 -0.51 0.50 0.00 0.00 175.29 174.27 1x4h s LEU 93 N 6.96 4.21 -0.46 3.68 1.43 -1.07 -4.60 118.68 128.83 1x4h s LEU 93 Ca 0.68 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 1x4h s LEU 93 Cb -0.16 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.61 1x4h s LEU 93 CO 0.29 -0.52 0.34 -0.54 0.23 0.00 0.00 176.35 176.14 1x4h s LYS 94 N 2.38 2.63 -0.21 1.70 1.02 -0.54 -4.69 119.74 122.03 1x4h s LYS 94 Ca 0.48 -1.61 -0.13 0.00 0.02 0.00 0.00 55.97 54.73 1x4h s LYS 94 Cb -0.18 -3.93 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1x4h s LYS 94 CO 0.15 -1.11 0.27 0.08 -0.92 0.00 0.00 175.35 173.82 1x4h s VAL 95 N 1.44 5.29 0.01 3.17 1.01 -1.25 -0.08 120.40 129.99 1x4h s VAL 95 Ca 0.04 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1x4h s VAL 95 Cb -0.25 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1x4h s VAL 95 CO 0.01 0.32 -0.04 -0.62 0.00 0.00 0.00 175.10 174.78 1x4h s ASP 96 N 0.90 0.39 -0.52 3.32 2.15 -0.16 -4.71 116.67 118.03 1x4h s ASP 96 Ca 0.13 -0.20 -0.26 0.00 0.43 0.00 0.00 52.55 52.66 1x4h s ASP 96 Cb -0.14 -0.00 -0.06 0.00 -0.30 0.00 0.00 42.92 42.42 1x4h s ASP 96 CO 0.05 -0.06 2.31 -0.22 -0.17 0.00 0.00 175.17 177.08 1x4h s LEU 97 N -0.51 3.37 0.00 -1.34 1.98 -1.26 0.11 118.68 121.03 1x4h s LEU 97 Ca -0.03 0.91 -0.04 0.00 -2.89 0.00 0.00 54.13 52.08 1x4h s LEU 97 Cb -0.04 -2.51 0.10 0.00 0.66 0.00 0.00 46.19 44.41 1x4h s LEU 97 CO -0.00 -2.81 0.66 0.00 -1.89 0.00 0.00 176.35 172.30 1x4h n ALA 98 N 15.40 -0.32 -3.09 5.97 0.00 -1.26 -4.92 120.51 132.29 1x4h n ALA 98 Ca 0.34 -1.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 1x4h n ALA 98 Cb 0.54 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 1x4h n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x4h s VAL 99 N -2.11 0.01 -0.30 0.00 0.11 -1.26 -4.54 120.40 112.31 1x4h s VAL 99 Ca 0.40 -0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 59.13 1x4h s VAL 99 Cb -0.02 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1x4h s VAL 99 CO 0.28 -0.03 0.95 -0.89 -3.33 0.00 0.00 175.10 172.08 1x4h s THR 100 N -0.02 4.66 -0.19 5.04 2.01 -1.26 -5.01 115.64 120.87 1x4h s THR 100 Ca -0.01 1.57 -0.25 0.00 0.31 0.00 0.00 61.69 63.31 1x4h s THR 100 Cb -0.02 -4.28 0.07 0.00 0.01 0.00 0.00 72.50 68.27 1x4h s THR 100 CO 0.00 -0.33 0.67 -0.60 -0.69 0.00 0.00 174.62 173.68 1x4h s ARG 101 N 3.28 0.87 -0.16 4.92 3.52 -1.26 -5.12 118.95 124.99 1x4h s ARG 101 Ca 0.40 0.71 -0.42 0.00 -0.13 0.00 0.00 55.73 56.29 1x4h s ARG 101 Cb -0.13 0.42 -0.19 0.00 -1.56 0.00 0.00 34.95 33.48 1x4h s ARG 101 CO 0.12 -0.17 1.32 -0.25 -0.81 0.00 0.00 175.30 175.51 1x4h n ASP 102 N 2.15 0.74 -2.31 -2.12 8.00 -1.26 -4.87 116.55 116.89 1x4h n ASP 102 Ca -0.16 1.16 -0.18 0.00 0.71 0.00 0.00 54.79 56.32 1x4h n ASP 102 Cb 0.56 -0.96 0.02 0.00 -0.02 0.00 0.00 41.12 40.72 1x4h n ASP 102 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1x4h n GLU 103 N 2.68 3.04 -2.18 -1.24 0.28 -1.26 -5.02 120.64 116.94 1x4h n GLU 103 Ca 0.24 -4.03 -0.34 0.00 -0.16 0.00 0.00 57.16 52.87 1x4h n GLU 103 Cb 0.05 -2.07 -0.04 0.00 1.43 0.00 0.00 31.44 30.82 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4h s ALA 104 N -3.61 2.12 -0.00 -1.84 0.00 -1.26 -4.94 121.76 112.23 1x4h s ALA 104 Ca 0.44 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1x4h s ALA 104 Cb 0.39 -4.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.07 1x4h s ALA 104 CO -0.01 -4.15 -0.06 0.00 0.00 0.00 0.00 175.76 171.53 1x4h s ALA 105 N 8.48 0.51 0.32 0.00 0.00 -1.26 -5.16 121.76 124.65 1x4h s ALA 105 Ca 0.61 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.38 1x4h s ALA 105 Cb -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1x4h s ALA 105 CO 0.07 0.12 0.05 -1.12 0.00 0.00 0.00 175.76 174.88 1x4h s SER 106 N -0.21 4.42 0.00 0.00 0.01 -1.26 -5.10 113.70 111.56 1x4h s SER 106 Ca 0.02 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1x4h s SER 106 Cb -0.03 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1x4h s SER 106 CO -0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1x4h n GLY 107 N -1.01 -1.90 3.72 3.44 0.00 -1.26 -5.15 105.19 103.04 1x4h n GLY 107 Ca -0.04 0.99 -0.42 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 0.00 4.36 -0.08 1.61 0.04 -1.26 -5.03 135.00 134.65 1x4h s PRO 108 Ca 0.00 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1x4h s PRO 108 Cb 0.00 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1x4h s PRO 108 CO 0.00 -0.34 0.20 -1.54 0.04 0.00 0.00 177.00 175.37 1x4h s SER 109 N 0.76 -0.21 0.04 6.66 1.04 -1.26 -5.17 113.70 115.57 1x4h s SER 109 Ca 0.60 0.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.42 1x4h s SER 109 Cb -0.36 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1x4h s SER 109 CO 0.34 -0.08 0.01 -0.55 0.98 0.00 0.00 173.24 173.94 1x4h s SER 110 N 0.08 0.34 0.00 7.02 0.15 -1.26 -5.20 113.70 114.84 1x4h s SER 110 Ca -0.00 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1x4h s SER 110 Cb -0.02 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1x4h s SER 110 CO 0.00 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.54