#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 -0.10 0.00 1.61 1.04 -1.26 -4.81 113.70 110.18 1x4h s SER 2 Ca 0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1x4h s SER 2 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1x4h s SER 2 CO 0.00 -1.00 0.00 -0.24 0.98 0.00 0.00 173.24 172.98 1x4h n SER 3 N -0.79 0.37 -1.46 7.02 2.88 -1.26 -5.04 113.62 115.33 1x4h n SER 3 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1x4h n SER 3 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1x4h n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4h n GLY 4 N 2.09 -2.05 3.48 0.46 0.00 -1.26 -5.12 105.19 102.79 1x4h n GLY 4 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.33 -0.46 -0.61 1.61 1.04 -1.26 -5.12 113.70 108.57 1x4h s SER 5 Ca 0.00 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.50 1x4h s SER 5 Cb 0.00 0.47 0.16 0.00 0.10 0.00 0.00 66.02 66.75 1x4h s SER 5 CO 0.00 -0.72 0.41 -0.55 0.98 0.00 0.00 173.24 173.36 1x4h s SER 6 N -2.37 5.09 0.33 7.02 0.15 -1.26 -5.03 113.70 117.63 1x4h s SER 6 Ca 0.02 -2.89 0.00 0.00 0.70 0.00 0.00 55.95 53.77 1x4h s SER 6 Cb -0.01 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1x4h s SER 6 CO -0.08 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1x4h n GLY 7 N 3.41 -2.45 3.80 9.45 0.00 -1.26 -4.90 105.19 113.23 1x4h n GLY 7 Ca 0.08 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -6.47 3.97 0.95 0.99 0.05 -1.26 -5.11 118.68 111.80 1x4h s LEU 8 Ca 0.00 0.20 -0.12 0.00 0.05 0.00 0.00 54.13 54.27 1x4h s LEU 8 Cb 0.00 -2.24 0.16 0.00 -2.05 0.00 0.00 46.19 42.05 1x4h s LEU 8 CO 0.00 0.30 1.09 -2.16 -0.55 0.00 0.00 176.35 175.03 1x4h s PRO 9 N -1.60 0.86 -0.19 1.48 0.04 -1.26 -5.03 135.00 129.29 1x4h s PRO 9 Ca 0.22 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1x4h s PRO 9 Cb -0.12 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1x4h s PRO 9 CO 0.12 -2.48 -0.34 -1.13 0.04 0.00 0.00 177.00 173.21 1x4h n SER 10 N -4.03 1.92 -3.30 6.66 3.41 -1.26 -4.94 113.62 112.09 1x4h n SER 10 Ca 0.06 0.33 -0.45 0.00 -0.26 0.00 0.00 58.87 58.55 1x4h n SER 10 Cb 0.56 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 1x4h n SER 10 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x4h n ASP 11 N -4.39 0.55 -4.77 4.04 9.92 -1.26 -4.83 116.55 115.81 1x4h n ASP 11 Ca -0.22 0.49 -0.39 0.00 -0.53 0.00 0.00 54.79 54.14 1x4h n ASP 11 Cb 0.59 -0.70 -0.04 0.00 -0.64 0.00 0.00 41.12 40.33 1x4h n ASP 11 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x4h s VAL 12 N 4.82 3.53 -0.07 2.53 1.01 -1.26 -5.04 120.40 125.91 1x4h s VAL 12 Ca 0.94 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 64.01 1x4h s VAL 12 Cb -1.14 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 31.49 1x4h s VAL 12 CO 0.50 0.23 0.79 -0.89 0.00 0.00 0.00 175.10 175.73 1x4h s THR 13 N -1.34 0.00 -0.53 3.92 2.01 -1.26 -5.04 115.64 113.39 1x4h s THR 13 Ca 0.50 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.43 1x4h s THR 13 Cb -0.29 -1.00 -0.20 0.00 0.01 0.00 0.00 72.50 71.03 1x4h s THR 13 CO 0.37 0.00 3.38 -0.62 -0.69 0.00 0.00 174.62 177.05 1x4h n GLU 14 N 0.73 2.58 -1.78 4.92 4.71 -1.26 -4.58 120.64 125.97 1x4h n GLU 14 Ca -0.15 -1.46 -0.36 0.00 -0.01 0.00 0.00 57.16 55.18 1x4h n GLU 14 Cb 0.58 -2.26 0.05 0.00 -1.01 0.00 0.00 31.44 28.80 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x4h n GLY 15 N 2.75 5.75 3.10 0.62 0.00 -1.26 -4.93 105.19 111.22 1x4h n GLY 15 Ca 0.54 -2.46 -0.32 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 -3.91 2.79 0.07 1.61 1.02 -1.26 -4.95 119.74 115.10 1x4h s LYS 16 Ca 0.56 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 1x4h s LYS 16 Cb 0.46 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1x4h s LYS 16 CO -0.23 -0.26 -0.02 0.99 -0.92 0.00 0.00 175.35 174.91 1x4h s THR 17 N 1.30 0.21 -0.26 2.17 2.01 -1.26 -3.96 115.64 115.85 1x4h s THR 17 Ca 0.03 -1.83 -0.08 0.00 0.31 0.00 0.00 61.69 60.12 1x4h s THR 17 Cb -0.14 -1.62 0.12 0.00 0.01 0.00 0.00 72.50 70.87 1x4h s THR 17 CO -0.12 -0.90 0.54 0.68 -0.69 0.00 0.00 174.62 174.14 1x4h s VAL 18 N -3.93 -0.85 -0.18 3.82 -7.23 -0.57 -4.03 120.40 107.42 1x4h s VAL 18 Ca 0.10 0.06 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1x4h s VAL 18 Cb 0.08 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 1x4h s VAL 18 CO -0.08 0.02 -0.06 0.12 -0.31 0.00 0.00 175.10 174.79 1x4h s PHE 19 N 2.77 2.94 -0.07 2.82 5.36 0.82 -0.57 117.98 132.05 1x4h s PHE 19 Ca -0.01 -0.66 -0.11 0.00 -0.96 0.00 0.00 56.93 55.19 1x4h s PHE 19 Cb -0.13 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 1x4h s PHE 19 CO -0.17 -0.31 0.28 0.42 -1.46 0.00 0.00 175.22 173.98 1x4h s ILE 20 N 0.88 5.26 0.19 3.12 1.09 -0.19 -1.14 121.20 130.42 1x4h s ILE 20 Ca -0.01 0.54 0.09 0.00 -1.10 0.00 0.00 60.65 60.17 1x4h s ILE 20 Cb -0.15 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 1x4h s ILE 20 CO 0.01 0.57 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.11 1x4h s ARG 21 N -0.85 1.38 -0.80 2.79 0.52 0.98 -2.36 118.95 120.61 1x4h s ARG 21 Ca 0.19 -1.52 -0.05 0.00 -0.52 0.00 0.00 55.73 53.83 1x4h s ARG 21 Cb -0.14 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1x4h s ARG 21 CO 0.08 0.27 0.70 -1.71 0.02 0.00 0.00 175.30 174.66 1x4h n ASN 22 N -0.01 -4.41 -4.79 0.23 5.15 -1.16 -1.84 115.26 108.44 1x4h n ASN 22 Ca -0.11 -0.32 -0.36 0.00 -0.60 0.00 0.00 54.58 53.19 1x4h n ASN 22 Cb 0.58 -3.20 -0.04 0.00 -0.53 0.00 0.00 39.78 36.59 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 -4.74 4.08 0.18 1.20 1.43 0.12 -4.56 118.68 116.38 1x4h s LEU 23 Ca 0.32 2.02 -0.21 0.00 -1.03 0.00 0.00 54.13 55.23 1x4h s LEU 23 Cb -0.14 -4.27 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 1x4h s LEU 23 CO 0.43 -0.56 0.71 -0.55 0.23 0.00 0.00 176.35 176.62 1x4h s SER 24 N -1.65 7.15 0.42 2.29 0.15 -1.26 -4.65 113.70 116.14 1x4h s SER 24 Ca 0.60 1.45 0.20 0.00 0.70 0.00 0.00 55.95 58.89 1x4h s SER 24 Cb -0.21 -2.43 1.14 0.00 -1.71 0.00 0.00 66.02 62.81 1x4h s SER 24 CO 0.26 0.13 1.81 0.15 1.20 0.00 0.00 173.24 176.79 1x4h h PHE 25 N 3.87 0.55 -0.30 3.44 3.57 -1.96 0.33 116.94 126.45 1x4h h PHE 25 Ca -0.48 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 60.92 1x4h h PHE 25 Cb 1.20 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1x4h h PHE 25 CO 0.65 0.09 -0.31 -0.44 -2.23 0.00 0.00 178.31 176.06 1x4h h ASP 26 N 0.36 0.66 -1.35 0.41 5.19 -1.98 -3.40 116.42 116.30 1x4h h ASP 26 Ca 0.54 -0.26 -0.46 0.00 -0.62 0.00 0.00 57.03 56.22 1x4h h ASP 26 Cb 1.43 -0.18 0.13 0.00 0.18 0.00 0.00 39.33 40.88 1x4h h ASP 26 CO -0.22 0.93 -0.77 -1.54 -3.12 0.00 0.00 179.24 174.52 1x4h n SER 27 N -4.08 -2.38 -3.81 6.45 3.41 0.12 -4.98 113.62 108.36 1x4h n SER 27 Ca -0.01 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1x4h n SER 27 Cb 0.47 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 1x4h n SER 27 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4h s GLU 28 N -0.75 0.05 0.28 4.33 2.02 -1.26 -4.86 118.70 118.50 1x4h s GLU 28 Ca 0.44 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.68 1x4h s GLU 28 Cb -0.44 -0.09 0.79 0.00 0.10 0.00 0.00 34.13 34.49 1x4h s GLU 28 CO 0.48 -0.09 1.32 -1.91 0.02 0.00 0.00 175.26 175.08 1x4h n GLU 29 N 3.60 -0.06 0.47 1.61 2.13 -1.26 -0.00 120.64 127.12 1x4h n GLU 29 Ca -0.19 1.23 -0.19 0.00 0.66 0.00 0.00 57.16 58.66 1x4h n GLU 29 Cb 0.55 -2.02 -0.09 0.00 0.27 0.00 0.00 31.44 30.15 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 -1.18 0.52 5.31 5.08 -1.95 -1.86 114.58 120.51 1x4h h GLU 30 Ca 0.57 0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 1x4h h GLU 30 Cb 1.30 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1x4h h GLU 30 CO -0.75 -0.78 -0.34 0.00 -1.00 0.00 0.00 179.01 176.14 1x4h h ALA 31 N -1.34 -0.85 -0.93 3.43 0.00 -0.91 -1.66 119.26 117.00 1x4h h ALA 31 Ca -0.12 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.81 1x4h h ALA 31 Cb 0.95 0.44 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 1x4h h ALA 31 CO 0.17 -1.00 -0.26 1.25 0.00 0.00 0.00 179.25 179.41 1x4h h LEU 32 N -0.83 -0.98 0.53 0.00 6.46 -0.47 -0.60 115.31 119.42 1x4h h LEU 32 Ca -0.06 0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1x4h h LEU 32 Cb 0.69 0.61 0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1x4h h LEU 32 CO 0.05 -0.30 -0.26 1.23 -0.62 0.00 0.00 178.44 178.54 1x4h h GLY 33 N -0.01 -0.75 0.43 3.75 0.00 -1.11 -2.40 103.07 102.99 1x4h h GLY 33 Ca 0.42 0.28 0.09 0.00 0.00 0.00 0.00 47.33 48.11 1x4h h GLY 33 CO -0.95 -0.27 0.70 0.83 0.00 0.00 0.00 176.54 176.85 1x4h h GLU 34 N -0.83 0.00 0.16 4.80 5.08 -0.18 0.91 114.58 124.52 1x4h h GLU 34 Ca -0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.99 1x4h h GLU 34 Cb 0.60 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.87 1x4h h GLU 34 CO 0.12 0.00 -1.30 0.28 -1.00 0.00 0.00 179.01 177.11 1x4h h VAL 35 N 0.00 1.37 0.00 3.13 2.07 -0.75 -3.31 116.25 118.75 1x4h h VAL 35 Ca 0.14 -2.75 -0.10 0.00 0.82 0.00 0.00 66.70 64.81 1x4h h VAL 35 Cb 1.54 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 34.17 1x4h h VAL 35 CO -0.00 0.82 -0.92 -0.07 0.02 0.00 0.00 177.57 177.42 1x4h h LEU 36 N 0.16 0.00 -1.90 2.57 3.38 0.79 -3.31 115.31 116.99 1x4h h LEU 36 Ca -0.19 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1x4h h LEU 36 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1x4h h LEU 36 CO 0.23 0.40 0.13 1.56 0.09 0.00 0.00 178.44 180.86 1x4h h GLN 37 N 0.00 0.12 -0.68 1.13 4.20 -0.43 -2.42 115.11 117.03 1x4h h GLN 37 Ca -0.07 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.78 1x4h h GLN 37 Cb 1.37 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 29.01 1x4h h GLN 37 CO 0.04 0.08 0.06 -0.56 -0.67 0.00 0.00 178.83 177.78 1x4h h GLN 38 N 0.13 0.16 0.26 1.46 3.07 -1.66 -2.41 115.11 116.10 1x4h h GLN 38 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.80 1x4h h GLN 38 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1x4h h GLN 38 CO -0.01 0.10 -0.12 0.74 0.09 0.00 0.00 178.83 179.63 1x4h h PHE 39 N 0.16 -0.32 -3.34 0.06 0.04 -1.69 -3.48 116.94 108.37 1x4h h PHE 39 Ca 0.37 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1x4h h PHE 39 Cb 0.61 0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.79 1x4h h PHE 39 CO -0.34 0.05 0.04 0.20 -0.60 0.00 0.00 178.31 177.66 1x4h s GLY 40 N -2.93 0.22 -0.05 -1.45 0.00 -0.91 -4.97 107.32 97.23 1x4h s GLY 40 Ca -0.13 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 1x4h s GLY 40 CO 0.51 -0.37 1.56 0.99 0.00 0.00 0.00 173.10 175.80 1x4h s ASP 41 N -2.97 6.73 -0.25 1.64 1.01 -1.26 -3.94 116.67 117.63 1x4h s ASP 41 Ca 0.17 2.16 -0.29 0.00 0.71 0.00 0.00 52.55 55.30 1x4h s ASP 41 Cb -0.03 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1x4h s ASP 41 CO 0.07 -0.87 1.14 -0.76 0.21 0.00 0.00 175.17 174.97 1x4h s LEU 42 N 3.63 4.04 0.27 1.23 1.43 -1.26 -2.01 118.68 126.01 1x4h s LEU 42 Ca 0.69 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 1x4h s LEU 42 Cb -0.32 -3.54 0.34 0.00 0.03 0.00 0.00 46.19 42.70 1x4h s LEU 42 CO 0.27 -0.81 1.91 0.50 0.23 0.00 0.00 176.35 178.45 1x4h h LYS 43 N 8.09 1.15 -1.66 1.70 1.63 -0.29 -3.44 116.57 123.74 1x4h h LYS 43 Ca -0.22 -0.11 0.08 0.00 -0.85 0.00 0.00 60.65 59.55 1x4h h LYS 43 Cb 1.08 -0.24 -0.25 0.00 -0.60 0.00 0.00 32.23 32.21 1x4h h LYS 43 CO 1.00 0.81 0.31 1.52 -3.45 0.00 0.00 179.45 179.64 1x4h s TYR 44 N -5.85 -0.67 -0.22 1.91 -0.85 -1.23 -4.98 117.35 105.46 1x4h s TYR 44 Ca -0.12 1.39 0.01 0.00 -0.52 0.00 0.00 57.07 57.83 1x4h s TYR 44 Cb 0.17 0.41 0.04 0.00 0.38 0.00 0.00 41.96 42.95 1x4h s TYR 44 CO 0.81 -0.33 -0.14 0.54 -1.52 0.00 0.00 175.55 174.91 1x4h s VAL 45 N 1.15 2.24 -0.05 -3.49 0.11 -1.26 -1.35 120.40 117.76 1x4h s VAL 45 Ca -0.07 -1.21 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 1x4h s VAL 45 Cb -0.04 -2.12 0.02 0.00 -1.53 0.00 0.00 36.38 32.71 1x4h s VAL 45 CO -0.14 0.27 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.25 1x4h s ARG 46 N 1.23 0.91 -0.17 1.54 6.06 -0.53 -5.01 118.95 122.97 1x4h s ARG 46 Ca -0.01 -0.13 -0.01 0.00 -2.50 0.00 0.00 55.73 53.07 1x4h s ARG 46 Cb -0.16 -0.88 -0.00 0.00 0.06 0.00 0.00 34.95 33.96 1x4h s ARG 46 CO -0.09 -0.07 -0.12 0.54 -2.50 0.00 0.00 175.30 173.07 1x4h s VAL 47 N 0.87 2.92 -0.09 7.11 0.11 -1.26 -0.93 120.40 129.13 1x4h s VAL 47 Ca -0.12 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 1x4h s VAL 47 Cb -0.14 -2.27 -0.07 0.00 -1.53 0.00 0.00 36.38 32.37 1x4h s VAL 47 CO 0.01 0.49 2.05 0.54 -3.33 0.00 0.00 175.10 174.86 1x4h s VAL 48 N 0.98 3.05 0.31 2.04 0.11 -1.24 -4.97 120.40 120.69 1x4h s VAL 48 Ca -0.01 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.17 1x4h s VAL 48 Cb -0.15 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1x4h s VAL 48 CO -0.02 -0.02 0.28 -0.76 -3.33 0.00 0.00 175.10 171.25 1x4h s LEU 49 N 6.14 3.69 0.24 2.54 1.43 -1.26 -2.92 118.68 128.54 1x4h s LEU 49 Ca 0.93 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 1x4h s LEU 49 Cb -0.38 -2.29 -0.13 0.00 0.03 0.00 0.00 46.19 43.42 1x4h s LEU 49 CO 0.38 -0.27 1.57 1.57 0.23 0.00 0.00 176.35 179.83 1x4h n HIS 50 N -1.34 2.56 0.98 0.29 -0.00 -0.54 -4.84 115.22 112.33 1x4h n HIS 50 Ca -0.03 0.26 0.04 0.00 0.46 0.00 0.00 57.72 58.44 1x4h n HIS 50 Cb 0.59 -2.57 0.22 0.00 -0.12 0.00 0.00 29.99 28.11 1x4h n HIS 50 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1x4h n PRO 51 N 2.72 0.49 0.00 1.57 -0.04 -1.26 -3.26 135.00 135.22 1x4h n PRO 51 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1x4h n PRO 51 Cb 0.34 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1x4h n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x4h n ASP 52 N -0.73 0.91 -4.41 3.54 9.92 -1.26 -5.09 116.55 119.43 1x4h n ASP 52 Ca 0.05 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.06 1x4h n ASP 52 Cb 0.03 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.39 1x4h n ASP 52 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1x4h s THR 53 N -1.94 2.25 -1.59 -3.53 -1.32 -1.20 -5.04 115.64 103.27 1x4h s THR 53 Ca 0.00 -2.02 -0.11 0.00 -1.21 0.00 0.00 61.69 58.35 1x4h s THR 53 Cb 0.00 -2.07 -0.06 0.00 -1.51 0.00 0.00 72.50 68.86 1x4h s THR 53 CO 0.00 -0.16 2.79 1.21 -2.21 0.00 0.00 174.62 176.24 1x4h n GLU 54 N 0.24 3.51 -4.50 7.08 2.13 -1.26 -3.24 120.64 124.60 1x4h n GLU 54 Ca -0.12 -2.31 -0.20 0.00 0.66 0.00 0.00 57.16 55.19 1x4h n GLU 54 Cb 0.56 -2.91 -0.15 0.00 0.27 0.00 0.00 31.44 29.21 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 2.38 1.04 0.84 4.31 3.76 -1.26 -4.98 115.29 121.39 1x4h s HIS 55 Ca 0.64 -0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 55.20 1x4h s HIS 55 Cb 0.17 -0.67 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 1x4h s HIS 55 CO -0.07 -0.02 0.30 0.45 -0.85 0.00 0.00 174.74 174.55 1x4h n SER 56 N 2.74 -2.23 -0.12 1.40 2.88 -1.26 -1.47 113.62 115.55 1x4h n SER 56 Ca -0.14 0.44 -0.23 0.00 -1.33 0.00 0.00 58.87 57.60 1x4h n SER 56 Cb 0.56 -1.14 -0.09 0.00 -0.75 0.00 0.00 64.21 62.78 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 -0.65 0.52 0.00 -1.46 5.02 -1.15 -4.61 118.16 115.84 1x4h n LYS 57 Ca 0.07 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1x4h n LYS 57 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4h n GLY 58 N 1.71 0.04 3.34 0.72 0.00 -1.26 -5.04 105.19 104.71 1x4h n GLY 58 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.07 -0.75 -0.03 0.00 0.00 -1.00 -3.61 121.76 112.31 1x4h s ALA 60 Ca 0.28 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1x4h s ALA 60 Cb 0.04 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1x4h s ALA 60 CO 0.08 -0.67 -0.20 -0.06 0.00 0.00 0.00 175.76 174.90 1x4h s PHE 61 N -3.85 1.88 0.22 0.00 0.40 -0.11 -1.02 117.98 115.51 1x4h s PHE 61 Ca 0.06 -0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1x4h s PHE 61 Cb 0.02 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1x4h s PHE 61 CO -0.08 -0.10 0.12 0.00 0.70 0.00 0.00 175.22 175.86 1x4h s ALA 62 N -0.28 1.35 0.02 5.36 0.00 0.27 -1.45 121.76 127.03 1x4h s ALA 62 Ca 0.03 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1x4h s ALA 62 Cb -0.10 1.29 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 1x4h s ALA 62 CO 0.01 -0.55 -0.05 -1.14 0.00 0.00 0.00 175.76 174.03 1x4h s GLN 63 N -4.11 0.37 0.44 0.00 0.74 -0.46 -1.52 119.66 115.12 1x4h s GLN 63 Ca 0.39 -0.57 0.07 0.00 0.05 0.00 0.00 55.36 55.30 1x4h s GLN 63 Cb 0.07 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 1x4h s GLN 63 CO 0.13 0.00 0.35 -0.06 -0.55 0.00 0.00 175.29 175.16 1x4h s PHE 64 N -1.18 2.45 -0.63 1.67 0.08 -1.25 0.36 117.98 119.48 1x4h s PHE 64 Ca -0.11 -0.59 0.22 0.00 0.12 0.00 0.00 56.93 56.58 1x4h s PHE 64 Cb -0.08 -2.08 -0.06 0.00 -0.57 0.00 0.00 43.02 40.22 1x4h s PHE 64 CO -0.00 -0.15 0.92 -1.33 -0.10 0.00 0.00 175.22 174.56 1x4h n MET 65 N -1.54 0.27 -3.95 0.44 2.81 -0.85 -4.36 117.12 109.94 1x4h n MET 65 Ca 0.02 -0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 1x4h n MET 65 Cb 0.63 -1.56 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 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 -3.19 0.11 0.18 2.03 -4.23 -1.26 -5.05 115.64 104.22 1x4h s THR 66 Ca 0.03 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.34 1x4h s THR 66 Cb 0.15 -0.10 0.08 0.00 1.34 0.00 0.00 72.50 73.97 1x4h s THR 66 CO 0.83 0.03 1.73 1.56 -0.54 0.00 0.00 174.62 178.23 1x4h h GLN 67 N 6.11 0.24 -0.95 3.99 4.20 -1.92 -1.04 115.11 125.75 1x4h h GLN 67 Ca -0.25 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.61 1x4h h GLN 67 Cb 1.21 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.85 1x4h h GLN 67 CO 0.51 0.16 0.60 1.49 -0.67 0.00 0.00 178.83 180.91 1x4h h GLU 68 N 0.24 0.69 0.07 1.46 4.57 -2.00 -2.77 114.58 116.85 1x4h h GLU 68 Ca 0.22 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1x4h h GLU 68 Cb 0.27 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1x4h h GLU 68 CO -0.28 0.45 -0.15 0.00 -1.18 0.00 0.00 179.01 177.85 1x4h h ALA 69 N 1.60 -0.74 -0.93 2.92 0.00 -1.56 0.81 119.26 121.37 1x4h h ALA 69 Ca 0.50 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.55 1x4h h ALA 69 Cb 0.82 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 1x4h h ALA 69 CO -0.26 -0.77 -0.25 0.00 0.00 0.00 0.00 179.25 177.97 1x4h h ALA 70 N -1.35 0.56 -0.24 0.00 0.00 -1.48 0.32 119.26 117.08 1x4h h ALA 70 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1x4h h ALA 70 Cb 0.23 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1x4h h ALA 70 CO -0.06 -0.41 0.07 1.96 0.00 0.00 0.00 179.25 180.81 1x4h h GLN 71 N -0.00 0.18 -0.25 0.00 1.08 -1.33 -0.99 115.11 113.79 1x4h h GLN 71 Ca 0.43 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.69 1x4h h GLN 71 Cb 0.67 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1x4h h GLN 71 CO -0.95 0.12 0.23 0.87 -0.95 0.00 0.00 178.83 178.14 1x4h h LYS 72 N 0.18 0.00 0.08 1.46 1.57 0.21 -0.12 116.57 119.95 1x4h h LYS 72 Ca 0.11 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.63 1x4h h LYS 72 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1x4h h LYS 72 CO -0.12 0.00 -1.12 0.00 -0.57 0.00 0.00 179.45 177.64 1x4h h LEU 74 N 0.13 -0.70 -1.98 0.00 3.38 -0.23 0.55 115.31 116.47 1x4h h LEU 74 Ca -0.11 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.12 1x4h h LEU 74 Cb 1.81 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 1x4h h LEU 74 CO 0.19 -0.41 0.63 0.00 0.09 0.00 0.00 178.44 178.94 1x4h h ALA 75 N -1.45 2.76 0.18 1.53 0.00 -1.60 0.30 119.26 120.98 1x4h h ALA 75 Ca -0.08 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 1x4h h ALA 75 Cb 0.63 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x4h h ALA 75 CO 0.14 -1.07 -1.59 0.00 0.00 0.00 0.00 179.25 176.74 1x4h h ALA 76 N 1.52 0.10 -0.19 0.00 0.00 -1.45 -3.34 119.26 115.90 1x4h h ALA 76 Ca 0.40 -1.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1x4h h ALA 76 Cb 1.66 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1x4h h ALA 76 CO -0.00 0.97 -0.41 0.00 0.00 0.00 0.00 179.25 179.80 1x4h h ALA 77 N 0.27 0.93 -1.41 0.00 0.00 0.26 -2.92 119.26 116.38 1x4h h ALA 77 Ca -0.28 -0.44 -0.54 0.00 0.00 0.00 0.00 54.91 53.66 1x4h h ALA 77 Cb 2.09 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 1x4h h ALA 77 CO 0.20 0.63 1.08 0.45 0.00 0.00 0.00 179.25 181.61 1x4h s SER 78 N -6.86 6.12 0.36 0.00 0.15 0.80 -3.41 113.70 110.86 1x4h s SER 78 Ca -0.06 -0.27 0.16 0.00 0.70 0.00 0.00 55.95 56.47 1x4h s SER 78 Cb 0.13 -2.56 1.06 0.00 -1.71 0.00 0.00 66.02 62.94 1x4h s SER 78 CO 0.81 -1.83 1.72 0.17 1.20 0.00 0.00 173.24 175.31 1x4h h LEU 79 N 13.17 0.52 0.19 3.45 -0.00 -1.78 -0.39 115.31 130.48 1x4h h LEU 79 Ca -0.27 0.13 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1x4h h LEU 79 Cb 1.06 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 1x4h h LEU 79 CO 1.26 0.02 -0.28 -0.08 -0.00 0.00 0.00 178.44 179.36 1x4h h GLU 80 N 0.42 -0.52 -6.34 0.17 4.57 -1.89 0.25 114.58 111.23 1x4h h GLU 80 Ca 0.66 0.04 -0.65 0.00 -1.18 0.00 0.00 59.36 58.23 1x4h h GLU 80 Cb 1.55 0.12 0.06 0.00 -0.16 0.00 0.00 28.75 30.31 1x4h h GLU 80 CO -0.43 -0.35 0.55 0.00 -1.18 0.00 0.00 179.01 177.59 1x4h n ALA 81 N -2.61 -0.32 -3.63 2.92 0.00 -0.15 -1.35 120.51 115.37 1x4h n ALA 81 Ca -0.08 0.50 -0.27 0.00 0.00 0.00 0.00 53.44 53.59 1x4h n ALA 81 Cb 0.31 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 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 2.76 -0.85 -3.98 0.00 1.02 -1.26 -0.39 120.64 117.94 1x4h n GLU 82 Ca 0.18 0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 57.07 1x4h n GLU 82 Cb 0.22 -3.01 -0.01 0.00 -0.02 0.00 0.00 31.44 28.63 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4h n GLY 83 N -1.23 -0.50 3.02 0.62 0.00 -0.45 -4.92 105.19 101.74 1x4h n GLY 83 Ca -0.01 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 1x4h n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4h s GLY 84 N -3.92 -0.52 0.06 -0.02 0.00 0.88 -4.98 107.32 98.80 1x4h s GLY 84 Ca 0.29 1.20 0.05 0.00 0.00 0.00 0.00 44.72 46.26 1x4h s GLY 84 CO 0.75 2.77 -0.15 -0.32 0.00 0.00 0.00 173.10 176.15 1x4h s GLY 85 N 2.62 0.86 0.23 0.20 0.00 -1.22 -3.43 107.32 106.59 1x4h s GLY 85 Ca 0.12 -0.93 -0.19 0.00 0.00 0.00 0.00 44.72 43.72 1x4h s GLY 85 CO -0.16 -0.92 0.73 1.08 0.00 0.00 0.00 173.10 173.82 1x4h s LEU 86 N -1.42 4.32 -0.03 0.66 1.02 -1.11 -4.84 118.68 117.28 1x4h s LEU 86 Ca 0.01 1.42 -0.01 0.00 0.02 0.00 0.00 54.13 55.56 1x4h s LEU 86 Cb -0.09 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.52 1x4h s LEU 86 CO 0.02 0.01 0.07 -0.54 0.02 0.00 0.00 176.35 175.92 1x4h s LYS 87 N -2.06 -0.00 -0.39 1.70 1.02 -1.26 -2.38 119.74 116.36 1x4h s LYS 87 Ca 0.44 0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 1x4h s LYS 87 Cb -0.16 -0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.02 1x4h s LYS 87 CO 0.21 -0.17 0.17 -1.17 -0.92 0.00 0.00 175.35 173.46 1x4h s LEU 88 N 1.14 5.11 -0.68 3.17 2.96 -0.06 -4.63 118.68 125.70 1x4h s LEU 88 Ca -0.09 -2.09 -0.01 0.00 -0.22 0.00 0.00 54.13 51.72 1x4h s LEU 88 Cb -0.13 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1x4h s LEU 88 CO -0.04 -0.49 0.18 -0.67 -1.32 0.00 0.00 176.35 174.00 1x4h n ASP 89 N 4.47 -3.34 0.00 3.68 2.03 -1.26 -2.96 116.55 119.17 1x4h n ASP 89 Ca -0.00 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1x4h n ASP 89 Cb 0.41 -2.37 0.00 0.00 -0.72 0.00 0.00 41.12 38.45 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 -1.05 0.45 3.17 0.27 0.00 -1.26 -5.05 105.19 101.72 1x4h n GLY 90 Ca -0.07 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.81 2.98 -0.34 1.61 1.81 -1.16 -5.09 118.95 116.95 1x4h s ARG 91 Ca 0.00 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 52.88 1x4h s ARG 91 Cb 0.00 -2.38 -0.00 0.00 -0.45 0.00 0.00 34.95 32.12 1x4h s ARG 91 CO 0.00 0.02 1.50 -1.14 -0.68 0.00 0.00 175.30 175.00 1x4h s GLN 92 N 0.73 3.62 -0.43 3.54 -0.44 -1.26 -0.88 119.66 124.55 1x4h s GLN 92 Ca -0.09 1.21 -0.29 0.00 -2.50 0.00 0.00 55.36 53.69 1x4h s GLN 92 Cb -0.16 -4.04 0.03 0.00 -1.64 0.00 0.00 33.01 27.20 1x4h s GLN 92 CO 0.00 -1.50 1.10 -0.51 0.50 0.00 0.00 175.29 174.88 1x4h s LEU 93 N 5.50 3.75 -0.52 3.68 1.43 -1.00 -4.60 118.68 126.91 1x4h s LEU 93 Ca 0.66 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 54.17 1x4h s LEU 93 Cb -0.18 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.58 1x4h s LEU 93 CO 0.31 -1.13 0.70 -0.54 0.23 0.00 0.00 176.35 175.92 1x4h s LYS 94 N 4.16 3.16 -0.21 1.70 1.02 -0.77 -4.68 119.74 124.12 1x4h s LYS 94 Ca 0.46 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.57 1x4h s LYS 94 Cb -0.09 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.08 1x4h s LYS 94 CO 0.26 -1.30 0.12 0.08 -0.92 0.00 0.00 175.35 173.59 1x4h s VAL 95 N 2.92 5.18 0.00 3.17 1.01 -1.25 -0.01 120.40 131.42 1x4h s VAL 95 Ca 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1x4h s VAL 95 Cb -0.18 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1x4h s VAL 95 CO 0.13 0.40 0.01 -0.62 0.00 0.00 0.00 175.10 175.02 1x4h s ASP 96 N 0.69 0.09 -0.52 3.32 2.15 -0.29 -4.70 116.67 117.41 1x4h s ASP 96 Ca 0.06 -0.20 -0.26 0.00 0.43 0.00 0.00 52.55 52.58 1x4h s ASP 96 Cb -0.12 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.51 1x4h s ASP 96 CO 0.01 -0.15 2.31 -0.22 -0.17 0.00 0.00 175.17 176.95 1x4h s LEU 97 N -0.70 3.38 0.89 -1.34 1.98 -1.26 -0.13 118.68 121.50 1x4h s LEU 97 Ca -0.08 0.93 -0.10 0.00 -2.89 0.00 0.00 54.13 52.00 1x4h s LEU 97 Cb -0.05 -2.51 0.19 0.00 0.66 0.00 0.00 46.19 44.49 1x4h s LEU 97 CO -0.00 -2.81 1.21 0.00 -1.89 0.00 0.00 176.35 172.86 1x4h s ALA 98 N 11.71 2.85 -0.06 5.97 0.00 -1.26 -4.92 121.76 136.05 1x4h s ALA 98 Ca 0.92 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1x4h s ALA 98 Cb -0.16 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.62 1x4h s ALA 98 CO 0.25 -2.16 0.12 0.08 0.00 0.00 0.00 175.76 174.04 1x4h s VAL 99 N -3.62 -0.11 -0.76 0.00 1.01 -1.26 -4.53 120.40 111.13 1x4h s VAL 99 Ca 0.73 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 1x4h s VAL 99 Cb -0.03 -0.21 0.20 0.00 0.00 0.00 0.00 36.38 36.34 1x4h s VAL 99 CO 0.50 0.11 0.69 -0.89 0.00 0.00 0.00 175.10 175.51 1x4h s THR 100 N 1.53 5.36 -0.05 3.92 2.01 -1.26 -5.01 115.64 122.14 1x4h s THR 100 Ca -0.05 -2.35 -0.09 0.00 0.31 0.00 0.00 61.69 59.51 1x4h s THR 100 Cb -0.12 -4.35 0.02 0.00 0.01 0.00 0.00 72.50 68.06 1x4h s THR 100 CO -0.05 -0.99 0.22 0.00 -0.69 0.00 0.00 174.62 173.12 1x4h s ARG 101 N 0.39 0.41 -0.14 4.92 1.70 -1.26 -5.15 118.95 119.81 1x4h s ARG 101 Ca 0.15 0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.45 1x4h s ARG 101 Cb -0.14 0.18 -0.00 0.00 -0.57 0.00 0.00 34.95 34.42 1x4h s ARG 101 CO -0.06 -0.08 -0.16 0.34 -1.08 0.00 0.00 175.30 174.25 1x4h s ASP 102 N -0.56 3.64 -0.54 -2.89 2.15 -1.26 -5.02 116.67 112.18 1x4h s ASP 102 Ca -0.07 -0.46 -0.05 0.00 0.43 0.00 0.00 52.55 52.41 1x4h s ASP 102 Cb -0.04 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 1x4h s ASP 102 CO 0.01 0.11 2.88 1.21 -0.17 0.00 0.00 175.17 179.21 1x4h n GLU 103 N 3.90 2.71 -1.62 4.34 4.07 -1.26 -4.96 120.64 127.82 1x4h n GLU 103 Ca -0.19 -2.27 -0.30 0.00 -0.06 0.00 0.00 57.16 54.35 1x4h n GLU 103 Cb 0.52 -2.21 0.09 0.00 -0.06 0.00 0.00 31.44 29.78 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x4h s ALA 104 N -1.00 2.27 -0.24 4.31 0.00 -1.26 -5.03 121.76 120.80 1x4h s ALA 104 Ca 0.60 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1x4h s ALA 104 Cb 0.34 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 20.25 1x4h s ALA 104 CO -0.16 -1.76 -0.15 0.00 0.00 0.00 0.00 175.76 173.70 1x4h n ALA 105 N -3.43 1.00 -3.01 0.00 0.00 -1.26 -5.01 120.51 108.79 1x4h n ALA 105 Ca 0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 1x4h n ALA 105 Cb 0.57 -0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 1x4h n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4h s SER 106 N -7.11 -0.13 0.00 0.00 0.15 -1.26 -5.06 113.70 100.28 1x4h s SER 106 Ca -0.34 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1x4h s SER 106 Cb 0.11 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1x4h s SER 106 CO 0.51 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.51 1x4h n GLY 107 N 2.97 -1.47 0.00 9.45 0.00 -1.26 -4.92 105.19 109.96 1x4h n GLY 107 Ca -0.13 0.36 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1x4h n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4h n PRO 108 N -2.37 0.48 -5.13 1.61 -0.04 -1.26 -4.63 135.00 123.65 1x4h n PRO 108 Ca 0.00 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 1x4h n PRO 108 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 1x4h n PRO 108 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4h s SER 109 N -2.02 2.81 0.16 3.54 0.01 -1.26 -5.04 113.70 111.90 1x4h s SER 109 Ca 0.23 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 1x4h s SER 109 Cb 0.11 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1x4h s SER 109 CO 0.18 0.20 1.55 -1.28 0.41 0.00 0.00 173.24 174.30 1x4h h SER 110 N 6.27 -1.80 0.00 2.44 0.87 -2.00 -3.48 113.55 115.84 1x4h h SER 110 Ca -0.29 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1x4h h SER 110 Cb 1.19 0.80 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1x4h h SER 110 CO 0.47 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.06