#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h31 s GLU 2 N 0.00 3.41 -0.36 0.00 2.02 -1.26 -3.15 118.70 119.35 1h31 s GLU 2 Ca 0.00 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.14 1h31 s GLU 2 Cb 0.00 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 1h31 s GLU 2 CO 0.00 0.48 0.44 0.08 0.02 0.00 0.00 175.26 176.28 1h31 s VAL 3 N -1.86 5.09 0.66 2.63 1.01 0.63 -4.97 120.40 123.60 1h31 s VAL 3 Ca 0.34 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1h31 s VAL 3 Cb -0.10 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1h31 s VAL 3 CO 0.29 -0.22 1.19 0.00 0.00 0.00 0.00 175.10 176.35 1h31 s ALA 4 N 2.20 2.35 0.27 5.51 0.00 -1.26 -4.82 121.76 126.01 1h31 s ALA 4 Ca 0.15 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 1h31 s ALA 4 Cb -0.16 -3.43 0.48 0.00 0.00 0.00 0.00 23.12 20.00 1h31 s ALA 4 CO 0.13 -1.49 1.51 -2.30 0.00 0.00 0.00 175.76 173.61 1h31 n PRO 5 N -2.24 -0.09 0.05 0.00 -0.02 -1.26 -0.45 135.00 131.00 1h31 n PRO 5 Ca 0.13 1.50 0.11 0.00 -2.02 0.00 0.00 63.50 63.22 1h31 n PRO 5 Cb 0.50 -2.26 0.45 0.00 -0.02 0.00 0.00 33.50 32.18 1h31 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h31 n GLY 6 N -1.60 -1.34 0.74 -1.23 0.00 -1.26 -3.33 105.19 97.18 1h31 n GLY 6 Ca 0.16 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1h31 n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h31 n ASP 7 N -1.84 2.53 -4.71 1.61 10.43 0.41 -4.98 116.55 120.00 1h31 n ASP 7 Ca 0.04 -1.77 -0.42 0.00 2.57 0.00 0.00 54.79 55.22 1h31 n ASP 7 Cb 0.28 0.22 -0.03 0.00 1.84 0.00 0.00 41.12 43.43 1h31 n ASP 7 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1h31 s VAL 8 N -2.23 3.18 -0.29 2.53 1.01 -1.20 -4.93 120.40 118.48 1h31 s VAL 8 Ca 0.24 0.80 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 1h31 s VAL 8 Cb 0.19 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1h31 s VAL 8 CO 0.43 0.05 0.89 0.00 0.00 0.00 0.00 175.10 176.47 1h31 s ALA 9 N 1.41 3.56 -0.12 5.51 0.00 -1.26 -5.02 121.76 125.84 1h31 s ALA 9 Ca 0.67 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 1h31 s ALA 9 Cb -0.38 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.35 1h31 s ALA 9 CO 0.30 -1.20 -0.09 0.42 0.00 0.00 0.00 175.76 175.20 1h31 s ILE 10 N 3.12 1.11 0.00 0.00 1.01 -1.26 -4.53 121.20 120.66 1h31 s ILE 10 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1h31 s ILE 10 Cb -0.14 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1h31 s ILE 10 CO 0.11 0.38 0.00 -0.90 0.00 0.00 0.00 174.94 174.54 1h31 n ASP 11 N 4.88 -0.14 -0.14 3.58 5.68 -0.67 -4.85 116.55 124.89 1h31 n ASP 11 Ca -0.13 -0.83 0.15 0.00 -0.50 0.00 0.00 54.79 53.48 1h31 n ASP 11 Cb 0.50 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.25 1h31 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h31 n GLY 12 N 4.61 -0.77 0.57 6.12 0.00 -1.26 -1.88 105.19 112.58 1h31 n GLY 12 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1h31 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h31 n GLN 13 N -0.73 1.23 -0.24 1.61 1.13 -1.26 -4.95 117.38 114.17 1h31 n GLN 13 Ca 0.20 -1.46 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 1h31 n GLN 13 Cb 0.21 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1h31 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h31 n GLY 14 N 0.73 0.73 3.85 1.08 0.00 -0.79 -4.42 105.19 106.36 1h31 n GLY 14 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1h31 n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h31 s HIS 15 N -2.28 3.40 -0.31 1.61 3.76 -1.26 -4.23 115.29 115.97 1h31 s HIS 15 Ca 0.00 1.34 0.01 0.00 -0.15 0.00 0.00 55.06 56.26 1h31 s HIS 15 Cb 0.00 -2.66 0.10 0.00 1.11 0.00 0.00 32.58 31.13 1h31 s HIS 15 CO 0.00 -0.12 0.07 0.08 -0.85 0.00 0.00 174.74 173.92 1h31 s VAL 16 N -2.29 1.37 -0.50 -0.90 1.01 0.03 -1.68 120.40 117.45 1h31 s VAL 16 Ca 0.57 -1.68 0.26 0.00 0.00 0.00 0.00 61.98 61.13 1h31 s VAL 16 Cb -0.10 -2.00 0.31 0.00 0.00 0.00 0.00 36.38 34.59 1h31 s VAL 16 CO 0.23 -0.60 1.75 0.00 0.00 0.00 0.00 175.10 176.48 1h31 h ALA 17 N 7.93 1.00 -3.24 5.51 0.00 -1.81 -3.39 119.26 125.26 1h31 h ALA 17 Ca -0.11 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.17 1h31 h ALA 17 Cb 1.02 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 1h31 h ALA 17 CO 0.48 0.00 -0.57 0.50 0.00 0.00 0.00 179.25 179.66 1h31 s ARG 18 N -3.24 3.77 0.64 0.00 3.52 -1.26 -4.93 118.95 117.44 1h31 s ARG 18 Ca 0.07 -0.35 -0.18 0.00 -0.13 0.00 0.00 55.73 55.14 1h31 s ARG 18 Cb 0.09 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 1h31 s ARG 18 CO 0.57 0.37 1.29 -2.14 -0.81 0.00 0.00 175.30 174.58 1h31 s PRO 19 N 0.07 2.61 0.00 5.12 0.02 -1.26 -4.88 135.00 136.68 1h31 s PRO 19 Ca 0.05 2.05 0.26 0.00 0.02 0.00 0.00 61.00 63.38 1h31 s PRO 19 Cb -0.12 -1.87 1.27 0.00 0.02 0.00 0.00 34.50 33.80 1h31 s PRO 19 CO 0.01 -1.55 1.88 1.28 -0.33 0.00 0.00 177.00 178.29 1h31 n LEU 20 N -1.84 0.00 -3.88 -5.54 4.77 -1.26 -4.77 117.00 104.48 1h31 n LEU 20 Ca 0.15 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1h31 n LEU 20 Cb 0.48 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1h31 n LEU 20 CO 0.47 -0.04 0.02 0.28 -1.33 0.00 0.00 177.39 176.79 1h31 s THR 21 N -2.69 0.08 0.04 -5.08 -1.32 -1.26 -0.27 115.64 105.14 1h31 s THR 21 Ca 0.22 -1.19 0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1h31 s THR 21 Cb 0.18 -1.64 -0.22 0.00 -1.51 0.00 0.00 72.50 69.30 1h31 s THR 21 CO 0.42 -0.35 0.99 0.44 -2.21 0.00 0.00 174.62 173.91 1h31 h ASP 22 N 2.52 0.00 -1.12 8.08 3.32 -1.87 -3.45 116.42 123.91 1h31 h ASP 22 Ca -0.32 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.09 1h31 h ASP 22 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1h31 h ASP 22 CO 0.48 0.99 1.46 0.00 -1.72 0.00 0.00 179.24 180.45 1h31 n ALA 23 N -2.45 1.06 -1.74 3.45 0.00 -1.26 -4.89 120.51 114.69 1h31 n ALA 23 Ca -0.08 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 1h31 n ALA 23 Cb 0.99 -2.60 0.05 0.00 0.00 0.00 0.00 19.45 17.89 1h31 n ALA 23 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1h31 s PRO 24 N 6.52 2.78 0.13 0.00 0.02 -1.26 -4.91 135.00 138.28 1h31 s PRO 24 Ca 1.10 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 63.80 1h31 s PRO 24 Cb -0.80 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 31.74 1h31 s PRO 24 CO 0.47 -1.39 0.92 0.20 -0.33 0.00 0.00 177.00 176.87 1h31 s GLY 25 N -1.45 3.00 -0.61 0.52 0.00 -1.26 -4.90 107.32 102.62 1h31 s GLY 25 Ca 0.80 0.54 -0.20 0.00 0.00 0.00 0.00 44.72 45.85 1h31 s GLY 25 CO 0.37 1.33 0.79 -0.35 0.00 0.00 0.00 173.10 175.24 1h31 s ASP 26 N -0.31 6.18 0.25 1.64 -1.08 -1.26 -4.74 116.67 117.35 1h31 s ASP 26 Ca 0.44 -1.26 -0.05 0.00 -0.52 0.00 0.00 52.55 51.16 1h31 s ASP 26 Cb -0.23 -2.34 0.49 0.00 -1.46 0.00 0.00 42.92 39.37 1h31 s ASP 26 CO 0.29 -1.21 1.64 -0.65 0.52 0.00 0.00 175.17 175.76 1h31 h PRO 27 N 9.31 0.12 0.34 4.34 0.11 -1.85 0.18 132.00 144.54 1h31 h PRO 27 Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1h31 h PRO 27 Cb 1.08 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1h31 h PRO 27 CO 1.12 0.08 -0.41 0.28 -0.21 0.00 0.00 178.00 178.87 1h31 h VAL 28 N 0.13 0.00 -0.97 3.15 2.07 -1.92 -0.32 116.25 118.39 1h31 h VAL 28 Ca 0.44 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.12 1h31 h VAL 28 Cb 0.80 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 1h31 h VAL 28 CO -0.66 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 177.46 1h31 h GLU 29 N -0.76 0.77 0.11 1.57 4.57 -1.68 -1.65 114.58 117.51 1h31 h GLU 29 Ca -0.04 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1h31 h GLU 29 Cb 0.68 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1h31 h GLU 29 CO -0.09 0.51 -0.43 0.78 -1.18 0.00 0.00 179.01 178.60 1h31 h GLY 30 N 0.80 -0.87 -0.95 1.92 0.00 -0.14 -1.00 103.07 102.83 1h31 h GLY 30 Ca 0.51 0.52 0.09 0.00 0.00 0.00 0.00 47.33 48.44 1h31 h GLY 30 CO -0.28 -0.27 -0.56 -2.13 0.00 0.00 0.00 176.54 173.31 1h31 n ARG 31 N -5.47 -0.41 -0.19 4.80 0.63 -0.18 -0.61 116.66 115.23 1h31 n ARG 31 Ca -0.07 1.43 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 1h31 n ARG 31 Cb 0.38 -2.11 0.10 0.00 0.45 0.00 0.00 32.46 31.29 1h31 n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h31 h ARG 32 N 0.00 0.23 -0.20 -0.14 3.08 -1.12 -2.82 114.38 113.41 1h31 h ARG 32 Ca 0.15 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1h31 h ARG 32 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1h31 h ARG 32 CO -0.89 0.16 -0.11 -0.07 -1.07 0.00 0.00 179.97 177.98 1h31 h LEU 33 N 0.24 0.30 -0.89 3.04 3.38 0.46 -1.81 115.31 120.03 1h31 h LEU 33 Ca 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1h31 h LEU 33 Cb 0.45 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1h31 h LEU 33 CO -0.40 0.45 0.00 0.23 0.09 0.00 0.00 178.44 178.81 1h31 n MET 34 N -4.26 0.15 -0.01 1.13 2.81 -1.06 -2.61 117.12 113.26 1h31 n MET 34 Ca -0.00 0.49 0.11 0.00 -1.81 0.00 0.00 57.70 56.49 1h31 n MET 34 Cb 0.27 -1.86 -0.16 0.00 -0.71 0.00 0.00 33.22 30.76 1h31 n MET 34 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h31 n THR 35 N -2.17 0.00 -2.37 2.03 -2.24 -0.68 -1.20 114.28 107.64 1h31 n THR 35 Ca 0.01 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 1h31 n THR 35 Cb 0.14 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1h31 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h31 s ASP 36 N -4.24 6.32 0.61 3.42 -1.08 -1.07 -4.77 116.67 115.85 1h31 s ASP 36 Ca -0.05 0.72 0.37 0.00 -0.52 0.00 0.00 52.55 53.06 1h31 s ASP 36 Cb 0.14 -2.54 1.98 0.00 -1.46 0.00 0.00 42.92 41.04 1h31 s ASP 36 CO 0.90 -1.47 2.24 -0.09 0.52 0.00 0.00 175.17 177.27 1h31 h ARG 37 N 10.69 0.00 0.00 4.34 2.43 -1.90 -0.98 114.38 128.96 1h31 h ARG 37 Ca -0.27 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1h31 h ARG 37 Cb 1.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1h31 h ARG 37 CO 1.10 0.02 -0.17 0.77 -1.51 0.00 0.00 179.97 180.19 1h31 h SER 38 N 0.00 0.00 0.00 -3.80 0.02 -1.94 -3.40 113.55 104.43 1h31 h SER 38 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h31 h SER 38 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1h31 h SER 38 CO 0.00 0.17 0.00 0.52 -1.14 0.00 0.00 176.83 176.38 1h31 n VAL 39 N -3.47 0.00 0.01 2.27 0.31 -0.47 -4.96 118.33 112.03 1h31 n VAL 39 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.10 1h31 n VAL 39 Cb 0.34 -0.27 -0.14 0.00 -0.91 0.00 0.00 33.84 32.86 1h31 n VAL 39 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1h31 h GLY 40 N 0.00 0.31 -5.98 2.92 0.00 -1.56 -3.45 103.07 95.30 1h31 h GLY 40 Ca 0.00 -0.78 -0.44 0.00 0.00 0.00 0.00 47.33 46.11 1h31 h GLY 40 CO 0.00 0.68 -0.71 -2.01 0.00 0.00 0.00 176.54 174.50 1h31 n ASN 41 N -3.69 -5.34 -0.09 0.19 4.05 -0.62 -4.90 115.26 104.87 1h31 n ASN 41 Ca -0.29 -0.65 -0.14 0.00 0.45 0.00 0.00 54.58 53.95 1h31 n ASN 41 Cb 0.99 -4.25 -0.05 0.00 1.23 0.00 0.00 39.78 37.71 1h31 n ASN 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1h31 n ILE 43 N -4.21 0.04 0.03 0.00 -0.00 -1.07 -0.99 119.36 113.18 1h31 n ILE 43 Ca -0.04 0.01 0.02 0.00 -0.00 0.00 0.00 62.75 62.74 1h31 n ILE 43 Cb 0.51 -0.63 0.36 0.00 -0.00 0.00 0.00 39.64 39.88 1h31 n ILE 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h31 h ALA 44 N 3.45 1.51 0.00 -1.28 0.00 -1.86 0.60 119.26 121.68 1h31 h ALA 44 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1h31 h ALA 44 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1h31 h ALA 44 CO 0.00 0.36 -1.46 0.00 0.00 0.00 0.00 179.25 178.15 1h31 s HIS 46 N -2.73 2.38 0.12 0.00 3.76 -0.33 -0.60 115.29 117.90 1h31 s HIS 46 Ca -0.04 -0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 54.00 1h31 s HIS 46 Cb 0.07 -1.55 -0.07 0.00 1.11 0.00 0.00 32.58 32.14 1h31 s HIS 46 CO 0.45 -0.16 0.77 -1.21 -0.85 0.00 0.00 174.74 173.74 1h31 s GLU 47 N -0.30 4.53 -0.24 1.40 2.02 -1.23 -3.96 118.70 120.94 1h31 s GLU 47 Ca 0.01 1.12 -0.00 0.00 0.02 0.00 0.00 54.97 56.11 1h31 s GLU 47 Cb -0.12 -3.29 0.06 0.00 0.10 0.00 0.00 34.13 30.88 1h31 s GLU 47 CO 0.02 0.48 -0.02 0.08 0.02 0.00 0.00 175.26 175.85 1h31 s VAL 48 N -0.80 1.26 0.06 2.63 1.01 -1.26 -0.79 120.40 122.51 1h31 s VAL 48 Ca 0.36 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1h31 s VAL 48 Cb -0.22 -1.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.40 1h31 s VAL 48 CO 0.25 -0.20 1.46 0.71 0.00 0.00 0.00 175.10 177.32 1h31 h THR 49 N 6.62 1.28 -0.10 3.92 1.35 -1.97 -0.70 112.91 123.30 1h31 h THR 49 Ca -0.17 -0.96 0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1h31 h THR 49 Cb 1.08 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1h31 h THR 49 CO 0.40 0.29 0.73 -0.08 -0.25 0.00 0.00 175.52 176.61 1h31 h GLU 50 N 0.03 0.00 -2.66 4.72 4.22 -2.00 0.67 114.58 119.56 1h31 h GLU 50 Ca 0.04 0.00 -0.74 0.00 0.08 0.00 0.00 59.36 58.74 1h31 h GLU 50 Cb 0.45 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 1h31 h GLU 50 CO 0.01 0.00 2.39 -1.33 -2.18 0.00 0.00 179.01 177.90 1h31 n MET 51 N -2.77 4.57 -0.35 1.92 2.81 -0.27 -4.77 117.12 118.25 1h31 n MET 51 Ca 0.01 -3.48 0.31 0.00 -1.81 0.00 0.00 57.70 52.73 1h31 n MET 51 Cb 0.78 -2.64 0.63 0.00 -0.71 0.00 0.00 33.22 31.28 1h31 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h31 h ALA 52 N 4.65 2.70 -0.04 3.04 0.00 -1.05 2.02 119.26 130.59 1h31 h ALA 52 Ca 0.69 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1h31 h ALA 52 Cb 0.32 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h31 h ALA 52 CO 1.48 -1.12 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 1h31 n ASP 53 N -4.44 0.53 0.00 0.00 9.92 -1.26 -4.57 116.55 116.73 1h31 n ASP 53 Ca 0.28 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1h31 n ASP 53 Cb 1.13 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.59 1h31 n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h31 n ALA 54 N -0.49 0.00 -0.62 2.24 0.00 0.68 -4.97 120.51 117.35 1h31 n ALA 54 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1h31 n ALA 54 Cb 0.17 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1h31 n ALA 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1h31 n GLN 55 N -2.19 0.00 -3.33 0.00 7.27 -1.26 -4.89 117.38 112.98 1h31 n GLN 55 Ca 0.00 0.24 -0.17 0.00 0.07 0.00 0.00 57.00 57.14 1h31 n GLN 55 Cb 0.00 -0.38 0.07 0.00 2.41 0.00 0.00 30.24 32.34 1h31 n GLN 55 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1h31 n PHE 56 N 0.96 -2.36 -2.46 3.69 3.72 -1.26 -4.98 117.46 114.76 1h31 n PHE 56 Ca 0.00 0.84 -0.35 0.00 -0.05 0.00 0.00 57.45 57.89 1h31 n PHE 56 Cb 0.00 -4.22 -0.03 0.00 -0.94 0.00 0.00 39.48 34.29 1h31 n PHE 56 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1h31 s PRO 57 N -4.72 3.74 1.02 -1.08 0.04 -1.26 -4.79 135.00 127.95 1h31 s PRO 57 Ca 0.38 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1h31 s PRO 57 Cb -0.06 -2.15 0.21 0.00 0.04 0.00 0.00 34.50 32.54 1h31 s PRO 57 CO 0.75 -0.50 1.23 0.20 0.04 0.00 0.00 177.00 178.72 1h31 s GLY 58 N -1.84 1.69 -0.00 0.56 0.00 0.21 -4.81 107.32 103.12 1h31 s GLY 58 Ca 0.67 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1h31 s GLY 58 CO 0.23 -0.25 0.74 -1.30 0.00 0.00 0.00 173.10 172.52 1h31 n THR 59 N -4.05 0.44 0.02 0.90 -2.24 -1.23 -3.49 114.28 104.64 1h31 n THR 59 Ca 0.13 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1h31 n THR 59 Cb 0.59 0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 1h31 n THR 59 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1h31 h VAL 60 N 1.96 1.15 -3.27 2.28 2.07 -1.82 -3.43 116.25 115.19 1h31 h VAL 60 Ca 0.00 -0.48 -0.49 0.00 0.82 0.00 0.00 66.70 66.55 1h31 h VAL 60 Cb 0.83 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1h31 h VAL 60 CO 0.00 0.12 -0.03 -0.83 0.02 0.00 0.00 177.57 176.85 1h31 s GLY 61 N -2.60 1.56 0.63 2.17 0.00 0.23 -5.05 107.32 104.26 1h31 s GLY 61 Ca -0.14 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 43.79 1h31 s GLY 61 CO 0.66 -0.49 1.19 2.56 0.00 0.00 0.00 173.10 177.03 1h31 s PRO 62 N -4.29 2.78 0.23 2.90 0.04 -1.26 -4.61 135.00 130.79 1h31 s PRO 62 Ca 0.45 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 1h31 s PRO 62 Cb -0.10 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 1h31 s PRO 62 CO 0.38 -1.34 1.05 0.45 0.04 0.00 0.00 177.00 177.58 1h31 n SER 63 N -1.93 1.14 -0.62 6.66 2.88 -1.26 -4.56 113.62 115.94 1h31 n SER 63 Ca 0.13 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.93 1h31 n SER 63 Cb 0.50 -1.23 0.35 0.00 -0.75 0.00 0.00 64.21 63.08 1h31 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1h31 n LEU 64 N 1.66 1.86 -4.67 2.46 4.77 0.03 -4.89 117.00 118.22 1h31 n LEU 64 Ca 0.13 -0.78 -0.50 0.00 -0.03 0.00 0.00 56.01 54.82 1h31 n LEU 64 Cb 0.28 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1h31 n LEU 64 CO 0.60 0.39 1.28 0.47 -1.33 0.00 0.00 177.39 178.81 1h31 n ASP 65 N 0.45 2.83 0.00 -1.43 8.00 -1.26 -2.47 116.55 122.67 1h31 n ASP 65 Ca 0.16 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.71 1h31 n ASP 65 Cb 0.36 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1h31 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h31 n GLY 66 N 3.80 0.49 0.30 0.44 0.00 -1.02 -4.90 105.19 104.31 1h31 n GLY 66 Ca 0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.42 1h31 n GLY 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1h31 h VAL 67 N 0.00 0.14 0.00 1.61 3.04 -1.30 0.15 116.25 119.89 1h31 h VAL 67 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1h31 h VAL 67 Cb 0.03 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1h31 h VAL 67 CO 0.00 0.02 -0.10 0.00 -1.01 0.00 0.00 177.57 176.48 1h31 n ALA 68 N -2.14 2.49 1.02 3.17 0.00 -0.88 -1.88 120.51 122.30 1h31 n ALA 68 Ca -0.02 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1h31 n ALA 68 Cb 0.17 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.29 1h31 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h31 n ALA 69 N -1.61 4.07 -0.03 0.00 0.00 0.49 -4.49 120.51 118.94 1h31 n ALA 69 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.99 1h31 n ALA 69 Cb 0.38 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1h31 n ALA 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1h31 n ARG 70 N -1.33 2.43 -4.92 0.00 1.85 -1.07 -5.02 116.66 108.60 1h31 n ARG 70 Ca 0.06 -0.01 -0.28 0.00 -1.00 0.00 0.00 57.85 56.61 1h31 n ARG 70 Cb 0.34 -1.19 -0.15 0.00 -1.05 0.00 0.00 32.46 30.42 1h31 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1h31 s TYR 71 N -2.23 2.09 0.74 2.89 2.02 -0.79 -5.11 117.35 116.96 1h31 s TYR 71 Ca -0.03 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 1h31 s TYR 71 Cb 0.03 -1.28 0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1h31 s TYR 71 CO 0.30 0.06 1.09 -1.25 -1.57 0.00 0.00 175.55 174.18 1h31 s PRO 72 N -0.97 2.53 0.19 -1.71 0.04 -1.26 -4.55 135.00 129.26 1h31 s PRO 72 Ca 0.09 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 1h31 s PRO 72 Cb -0.09 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.62 1h31 s PRO 72 CO 0.01 -1.30 1.60 1.49 0.04 0.00 0.00 177.00 178.84 1h31 h GLU 73 N -0.85 -0.13 -0.47 4.56 4.81 -1.95 -2.41 114.58 118.14 1h31 h GLU 73 Ca -0.46 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1h31 h GLU 73 Cb 1.25 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1h31 h GLU 73 CO 0.61 -0.09 0.31 0.00 -0.73 0.00 0.00 179.01 179.11 1h31 h ALA 74 N 1.13 1.93 -0.14 2.92 0.00 -1.92 0.14 119.26 123.32 1h31 h ALA 74 Ca 0.24 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1h31 h ALA 74 Cb 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h31 h ALA 74 CO -0.65 -0.01 -0.66 1.98 0.00 0.00 0.00 179.25 179.91 1h31 h MET 75 N 0.40 0.55 -0.31 0.00 1.85 -1.74 0.45 114.93 116.13 1h31 h MET 75 Ca 0.20 -0.41 -0.05 0.00 -0.61 0.00 0.00 59.70 58.83 1h31 h MET 75 Cb 0.29 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1h31 h MET 75 CO -0.05 1.03 -0.00 0.82 -0.40 0.00 0.00 176.91 178.31 1h31 h ILE 76 N 0.40 1.26 -0.63 1.77 2.04 -0.44 -1.67 117.51 120.24 1h31 h ILE 76 Ca -0.02 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 1h31 h ILE 76 Cb 1.24 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1h31 h ILE 76 CO 0.12 0.31 0.16 -0.09 0.00 0.00 0.00 178.15 178.65 1h31 h ARG 77 N 0.35 1.00 -1.00 2.37 2.43 -0.89 -2.39 114.38 116.26 1h31 h ARG 77 Ca 0.09 -0.24 0.17 0.00 -0.81 0.00 0.00 59.98 59.19 1h31 h ARG 77 Cb 0.44 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.76 1h31 h ARG 77 CO 0.02 0.91 0.62 0.78 -1.51 0.00 0.00 179.97 180.78 1h31 h GLY 78 N 0.92 1.76 2.00 2.80 0.00 -1.10 0.11 103.07 109.56 1h31 h GLY 78 Ca 0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1h31 h GLY 78 CO 0.00 -0.01 -0.25 -2.22 0.00 0.00 0.00 176.54 174.06 1h31 h ILE 79 N 0.82 1.03 0.00 2.60 2.04 -0.79 -1.10 117.51 122.12 1h31 h ILE 79 Ca 0.56 -0.89 -0.19 0.00 1.00 0.00 0.00 64.86 65.33 1h31 h ILE 79 Cb 0.80 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1h31 h ILE 79 CO -0.35 0.24 -1.43 -0.07 0.00 0.00 0.00 178.15 176.54 1h31 h LEU 80 N 0.00 0.00 0.22 1.44 3.38 -0.83 -1.85 115.31 117.67 1h31 h LEU 80 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1h31 h LEU 80 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1h31 h LEU 80 CO 0.03 0.67 -0.10 0.58 0.09 0.00 0.00 178.44 179.71 1h31 h VAL 81 N 0.00 0.82 -1.25 1.22 2.07 -0.53 -2.77 116.25 115.81 1h31 h VAL 81 Ca -0.18 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 1h31 h VAL 81 Cb 1.67 1.27 -0.22 0.00 -1.52 0.00 0.00 31.29 32.49 1h31 h VAL 81 CO 0.05 0.17 -0.50 0.21 0.02 0.00 0.00 177.57 177.52 1h31 s ASN 82 N -5.29 -0.83 0.50 0.57 3.84 -0.45 -1.49 114.94 111.80 1h31 s ASN 82 Ca -0.14 -0.89 0.36 0.00 0.21 0.00 0.00 52.86 52.41 1h31 s ASN 82 Cb 0.01 1.61 1.51 0.00 -0.55 0.00 0.00 41.25 43.83 1h31 s ASN 82 CO 0.53 -0.21 1.70 0.77 -2.79 0.00 0.00 177.10 177.10 1h31 h SER 83 N 7.13 0.12 0.33 -4.21 4.64 -1.46 0.22 113.55 120.32 1h31 h SER 83 Ca 0.04 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1h31 h SER 83 Cb 1.15 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1h31 h SER 83 CO 0.13 -0.03 -0.31 0.11 -0.87 0.00 0.00 176.83 175.86 1h31 h LYS 84 N 0.07 0.00 0.00 4.77 6.56 -1.84 0.73 116.57 126.86 1h31 h LYS 84 Ca 0.73 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.31 1h31 h LYS 84 Cb 2.63 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.29 1h31 h LYS 84 CO -0.15 0.31 -0.05 -0.91 -2.06 0.00 0.00 179.45 176.60 1h31 h ASN 85 N 0.00 0.00 0.00 0.86 2.35 -1.28 -2.79 115.58 114.72 1h31 h ASN 85 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1h31 h ASN 85 Cb 0.56 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.87 1h31 h ASN 85 CO 0.04 0.05 -2.32 0.52 -1.65 0.00 0.00 177.43 174.07 1h31 n VAL 86 N -4.22 1.33 -3.76 2.81 0.31 -0.53 -4.15 118.33 110.11 1h31 n VAL 86 Ca -0.03 -0.56 -0.28 0.00 -0.01 0.00 0.00 64.34 63.47 1h31 n VAL 86 Cb 0.13 -1.20 -0.11 0.00 -0.91 0.00 0.00 33.84 31.75 1h31 n VAL 86 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1h31 n PHE 87 N -3.10 2.15 -1.55 3.52 3.72 0.24 -5.04 117.46 117.39 1h31 n PHE 87 Ca -0.40 -4.05 -0.52 0.00 -0.05 0.00 0.00 57.45 52.43 1h31 n PHE 87 Cb 0.97 -0.39 -0.06 0.00 -0.94 0.00 0.00 39.48 39.06 1h31 n PHE 87 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h31 n PRO 88 N 2.17 0.78 -1.11 -1.08 -0.02 -1.06 -1.48 135.00 133.21 1h31 n PRO 88 Ca 0.23 0.28 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1h31 n PRO 88 Cb 0.39 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1h31 n PRO 88 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1h31 n GLU 89 N 1.91 -0.57 -2.27 -0.52 1.02 -1.26 -4.98 120.64 113.97 1h31 n GLU 89 Ca 0.18 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 57.44 1h31 n GLU 89 Cb 0.18 -4.15 -0.01 0.00 -0.02 0.00 0.00 31.44 27.44 1h31 n GLU 89 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1h31 s THR 90 N -2.00 3.16 -0.76 2.62 -1.32 -0.55 -4.92 115.64 111.88 1h31 s THR 90 Ca 0.00 0.80 0.26 0.00 -1.21 0.00 0.00 61.69 61.54 1h31 s THR 90 Cb 0.00 -3.37 0.26 0.00 -1.51 0.00 0.00 72.50 67.88 1h31 s THR 90 CO 0.00 -0.08 1.78 1.33 -2.21 0.00 0.00 174.62 175.44 1h31 n VAL 91 N -0.83 0.54 -1.74 5.08 0.24 -1.26 -4.84 118.33 115.52 1h31 n VAL 91 Ca 0.09 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 1h31 n VAL 91 Cb 0.49 -0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 32.15 1h31 n VAL 91 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1h31 s MET 92 N -3.11 4.15 0.73 7.34 -2.45 -1.26 -4.94 119.30 119.76 1h31 s MET 92 Ca 0.10 2.55 -0.16 0.00 -1.25 0.00 0.00 55.69 56.93 1h31 s MET 92 Cb 0.13 -3.85 0.00 0.00 1.25 0.00 0.00 34.83 32.36 1h31 s MET 92 CO 0.53 -0.88 0.87 -2.30 1.05 0.00 0.00 175.02 174.29 1h31 n PRO 93 N 6.53 0.41 -3.15 4.11 -0.02 -1.26 -4.70 135.00 136.91 1h31 n PRO 93 Ca 0.18 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1h31 n PRO 93 Cb 0.40 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1h31 n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h31 s ALA 94 N -1.88 3.59 -1.33 3.55 0.00 -1.26 -4.36 121.76 120.07 1h31 s ALA 94 Ca 0.71 -0.54 0.22 0.00 0.00 0.00 0.00 51.96 52.36 1h31 s ALA 94 Cb -0.34 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1h31 s ALA 94 CO 0.53 -0.84 1.08 0.66 0.00 0.00 0.00 175.76 177.19 1h31 n TYR 95 N 5.69 0.00 -2.39 0.00 4.01 -1.05 -4.05 117.16 119.36 1h31 n TYR 95 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1h31 n TYR 95 Cb 0.49 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.53 1h31 n TYR 95 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1h31 n TYR 96 N -1.05 1.19 -4.07 -0.72 9.36 -0.55 -1.97 117.16 119.35 1h31 n TYR 96 Ca 0.06 -1.72 -0.24 0.00 3.32 0.00 0.00 57.90 59.32 1h31 n TYR 96 Cb 0.37 -0.24 -0.04 0.00 -0.63 0.00 0.00 39.34 38.79 1h31 n TYR 96 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1h31 s ARG 97 N -2.86 3.03 0.00 2.98 1.81 -1.25 -4.68 118.95 117.98 1h31 s ARG 97 Ca 0.36 -0.89 0.00 0.00 -1.72 0.00 0.00 55.73 53.48 1h31 s ARG 97 Cb 0.36 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 1h31 s ARG 97 CO -0.05 0.45 0.92 1.33 -0.68 0.00 0.00 175.30 177.27 1h31 n VAL 98 N -0.80 0.00 -4.04 3.52 0.24 -1.26 -4.37 118.33 111.62 1h31 n VAL 98 Ca -0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 1h31 n VAL 98 Cb 0.56 0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 1h31 n VAL 98 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1h31 s GLU 99 N 0.00 0.59 0.00 7.34 2.02 -1.26 -4.67 118.70 122.72 1h31 s GLU 99 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1h31 s GLU 99 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1h31 s GLU 99 CO 0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1h31 n GLY 100 N 0.35 0.45 3.89 -1.39 0.00 -1.26 -5.03 105.19 102.20 1h31 n GLY 100 Ca -0.16 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1h31 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h31 s PHE 101 N -2.00 2.97 -0.31 1.61 0.08 -1.26 -5.06 117.98 114.01 1h31 s PHE 101 Ca 0.00 0.79 0.02 0.00 0.12 0.00 0.00 56.93 57.86 1h31 s PHE 101 Cb 0.00 -3.45 0.09 0.00 -0.57 0.00 0.00 43.02 39.09 1h31 s PHE 101 CO 0.00 -1.74 0.04 1.21 -0.10 0.00 0.00 175.22 174.63 1h31 s ASN 102 N -4.53 4.36 -1.02 1.36 3.84 -1.26 -4.75 114.94 112.93 1h31 s ASN 102 Ca 0.62 -1.79 -0.03 0.00 0.21 0.00 0.00 52.86 51.87 1h31 s ASN 102 Cb -0.11 -1.31 0.00 0.00 -0.55 0.00 0.00 41.25 39.28 1h31 s ASN 102 CO 0.49 -0.36 0.87 0.54 -2.79 0.00 0.00 177.10 175.86 1h31 n ARG 103 N 4.52 -5.83 -2.05 0.43 1.74 -1.26 -4.98 116.66 109.23 1h31 n ARG 103 Ca -0.02 0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 1h31 n ARG 103 Cb 0.42 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.60 1h31 n ARG 103 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h31 s PRO 104 N -5.50 4.29 0.39 5.56 0.04 -1.26 -4.98 135.00 133.53 1h31 s PRO 104 Ca 0.20 2.25 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1h31 s PRO 104 Cb -0.09 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1h31 s PRO 104 CO 0.59 -0.41 0.31 0.20 0.04 0.00 0.00 177.00 177.73 1h31 s GLY 105 N 0.49 2.06 -0.21 0.56 0.00 -1.26 -2.15 107.32 106.80 1h31 s GLY 105 Ca 0.60 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 43.18 1h31 s GLY 105 CO 0.40 -1.70 1.31 -0.42 0.00 0.00 0.00 173.10 172.69 1h31 s ILE 106 N -2.44 4.17 0.00 0.90 1.01 0.75 -4.64 121.20 120.94 1h31 s ILE 106 Ca 0.44 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1h31 s ILE 106 Cb -0.03 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1h31 s ILE 106 CO 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 174.94 174.95 1h31 n ALA 107 N 7.09 0.00 -1.81 9.38 0.00 -1.26 -1.20 120.51 132.71 1h31 n ALA 107 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1h31 n ALA 107 Cb 0.45 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.02 1h31 n ALA 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h31 n PHE 108 N 12.77 1.40 0.41 0.00 3.72 -1.26 -4.66 117.46 129.83 1h31 n PHE 108 Ca 0.00 -1.87 0.12 0.00 -0.05 0.00 0.00 57.45 55.65 1h31 n PHE 108 Cb 0.00 -0.30 0.11 0.00 -0.94 0.00 0.00 39.48 38.35 1h31 n PHE 108 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1h31 h THR 109 N 1.59 0.00 0.00 4.37 1.35 -1.54 -3.48 112.91 115.21 1h31 h THR 109 Ca 0.19 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1h31 h THR 109 Cb 1.28 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1h31 h THR 109 CO 0.39 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.46 1h31 n SER 110 N -2.33 0.00 -4.86 5.36 7.64 -1.26 -5.03 113.62 113.14 1h31 n SER 110 Ca 0.02 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.56 1h31 n SER 110 Cb 0.48 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 1h31 n SER 110 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h31 s LYS 111 N -0.02 3.88 0.41 1.43 -0.14 -1.26 -4.91 119.74 119.13 1h31 s LYS 111 Ca 0.00 0.37 -0.26 0.00 -1.36 0.00 0.00 55.97 54.72 1h31 s LYS 111 Cb 0.00 -2.81 -0.09 0.00 -1.68 0.00 0.00 37.83 33.25 1h31 s LYS 111 CO 0.00 0.41 1.29 -2.14 -0.76 0.00 0.00 175.35 174.16 1h31 s PRO 112 N -2.33 3.94 0.07 -1.68 0.02 -1.26 -0.18 135.00 133.58 1h31 s PRO 112 Ca 0.42 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 63.26 1h31 s PRO 112 Cb -0.13 -2.73 -0.07 0.00 0.02 0.00 0.00 34.50 31.58 1h31 s PRO 112 CO 0.20 -0.51 1.48 0.42 -0.33 0.00 0.00 177.00 178.26 1h31 s ILE 113 N -1.28 3.29 -0.22 2.83 1.01 -0.92 -4.53 121.20 121.39 1h31 s ILE 113 Ca 0.57 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 62.01 1h31 s ILE 113 Cb -0.37 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1h31 s ILE 113 CO 0.48 0.03 -0.03 -1.61 0.00 0.00 0.00 174.94 173.81 1h31 s GLU 114 N 1.89 3.43 0.10 2.79 2.02 -1.26 -5.02 118.70 122.65 1h31 s GLU 114 Ca 0.67 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1h31 s GLU 114 Cb -0.37 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1h31 s GLU 114 CO 0.30 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1h31 n GLY 115 N 4.73 -0.64 3.67 -1.39 0.00 -1.26 -4.95 105.19 105.35 1h31 n GLY 115 Ca -0.18 -1.86 -0.47 0.00 0.00 0.00 0.00 46.02 43.51 1h31 n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h31 n GLU 116 N 0.00 2.07 -2.67 1.61 2.13 -1.26 -4.93 120.64 117.59 1h31 n GLU 116 Ca 0.00 0.75 -0.42 0.00 0.66 0.00 0.00 57.16 58.15 1h31 n GLU 116 Cb 0.00 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.15 1h31 n GLU 116 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1h31 s ILE 117 N 2.03 4.75 0.29 6.31 1.01 -1.26 -5.06 121.20 129.27 1h31 s ILE 117 Ca 0.84 2.01 -0.08 0.00 0.00 0.00 0.00 60.65 63.42 1h31 s ILE 117 Cb -0.71 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.40 1h31 s ILE 117 CO 0.44 0.03 0.60 -0.13 0.00 0.00 0.00 174.94 175.87 1h31 s ARG 118 N 1.87 3.74 0.61 2.79 0.52 -1.26 -4.86 118.95 122.36 1h31 s ARG 118 Ca 0.49 0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 55.75 1h31 s ARG 118 Cb -0.19 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 1h31 s ARG 118 CO 0.20 0.21 1.13 -1.25 0.02 0.00 0.00 175.30 175.61 1h31 s PRO 119 N -3.29 3.01 0.41 3.54 0.04 -1.26 -4.90 135.00 132.55 1h31 s PRO 119 Ca 0.47 1.55 0.16 0.00 0.04 0.00 0.00 61.00 63.21 1h31 s PRO 119 Cb -0.11 -1.96 1.03 0.00 0.04 0.00 0.00 34.50 33.50 1h31 s PRO 119 CO 0.26 -1.11 1.88 -0.07 0.04 0.00 0.00 177.00 178.00 1h31 h LEU 120 N 0.58 0.44 -7.95 -3.56 3.38 -1.78 -3.41 115.31 103.01 1h31 h LEU 120 Ca -0.49 0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.18 1h31 h LEU 120 Cb 1.26 -0.05 -0.28 0.00 0.09 0.00 0.00 40.66 41.68 1h31 h LEU 120 CO 0.55 0.20 -0.76 -0.04 0.09 0.00 0.00 178.44 178.48 1h31 s MET 121 N -5.46 0.51 0.92 1.13 -1.94 -0.83 -4.82 119.30 108.82 1h31 s MET 121 Ca -0.08 -0.23 -0.12 0.00 -1.71 0.00 0.00 55.69 53.54 1h31 s MET 121 Cb 0.22 -0.49 0.14 0.00 2.01 0.00 0.00 34.83 36.71 1h31 s MET 121 CO 0.78 0.13 1.10 0.95 -0.01 0.00 0.00 175.02 177.97 1h31 s THR 122 N -0.17 2.42 0.15 2.05 -4.23 -1.26 -4.69 115.64 109.91 1h31 s THR 122 Ca 0.02 0.14 -0.24 0.00 -1.18 0.00 0.00 61.69 60.43 1h31 s THR 122 Cb -0.03 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.16 1h31 s THR 122 CO -0.00 -0.18 1.60 0.00 -0.54 0.00 0.00 174.62 175.50 1h31 h ALA 123 N -1.62 -0.26 -0.16 3.99 0.00 -1.91 -1.26 119.26 118.04 1h31 h ALA 123 Ca -0.51 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1h31 h ALA 123 Cb 1.30 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 1h31 h ALA 123 CO 0.57 -0.76 -0.30 0.78 0.00 0.00 0.00 179.25 179.55 1h31 h GLY 124 N -0.31 -0.36 0.72 0.00 0.00 -1.92 0.37 103.07 101.57 1h31 h GLY 124 Ca 0.14 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1h31 h GLY 124 CO -0.47 -0.21 0.65 1.46 0.00 0.00 0.00 176.54 177.96 1h31 h GLN 125 N -0.36 1.13 -0.41 4.80 4.20 -1.88 0.42 115.11 123.02 1h31 h GLN 125 Ca 0.11 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1h31 h GLN 125 Cb 0.52 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1h31 h GLN 125 CO -0.36 0.75 0.03 0.82 -0.67 0.00 0.00 178.83 179.40 1h31 h ILE 126 N 1.17 1.25 -0.59 2.54 2.04 -0.61 -1.45 117.51 121.86 1h31 h ILE 126 Ca 0.44 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 1h31 h ILE 126 Cb 0.19 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1h31 h ILE 126 CO -0.18 0.33 0.09 -0.33 0.00 0.00 0.00 178.15 178.06 1h31 h GLU 127 N 0.54 0.98 -0.55 2.37 4.39 0.14 0.57 114.58 123.02 1h31 h GLU 127 Ca 0.12 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.60 1h31 h GLU 127 Cb 0.44 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1h31 h GLU 127 CO 0.02 0.94 0.27 -0.44 -1.16 0.00 0.00 179.01 178.63 1h31 h ASP 128 N 0.89 0.38 -0.39 1.42 3.32 -0.16 0.28 116.42 122.14 1h31 h ASP 128 Ca 0.18 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1h31 h ASP 128 Cb 0.43 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1h31 h ASP 128 CO 0.01 0.25 -0.35 0.58 -1.72 0.00 0.00 179.24 178.02 1h31 h VAL 129 N 0.52 1.27 -0.65 -1.35 2.07 -0.75 -2.36 116.25 115.00 1h31 h VAL 129 Ca 0.25 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 1h31 h VAL 129 Cb 0.18 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1h31 h VAL 129 CO -0.19 0.51 0.13 0.58 0.02 0.00 0.00 177.57 178.63 1h31 h VAL 130 N 0.78 1.26 -0.40 2.57 2.07 -0.71 0.20 116.25 122.02 1h31 h VAL 130 Ca 0.07 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1h31 h VAL 130 Cb 0.94 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1h31 h VAL 130 CO 0.09 0.37 0.06 0.00 0.02 0.00 0.00 177.57 178.11 1h31 h ALA 131 N 1.05 0.42 0.73 1.67 0.00 -0.76 0.09 119.26 122.45 1h31 h ALA 131 Ca 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1h31 h ALA 131 Cb 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1h31 h ALA 131 CO 0.01 -0.34 -0.47 -0.92 0.00 0.00 0.00 179.25 177.53 1h31 h TYR 132 N 0.19 -1.27 -1.19 0.00 3.20 -0.91 -2.64 116.97 114.35 1h31 h TYR 132 Ca 0.19 -0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.40 1h31 h TYR 132 Cb 0.25 0.46 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1h31 h TYR 132 CO -0.21 -0.70 0.84 -0.07 -1.64 0.00 0.00 178.16 176.38 1h31 h LEU 133 N -1.14 0.08 -0.30 2.82 3.38 0.04 0.83 115.31 121.01 1h31 h LEU 133 Ca -0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1h31 h LEU 133 Cb 0.92 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1h31 h LEU 133 CO 0.08 0.01 0.00 0.23 0.09 0.00 0.00 178.44 178.85 1h31 n MET 134 N -4.26 0.11 0.00 1.13 2.81 -0.04 -1.92 117.12 114.96 1h31 n MET 134 Ca 0.26 0.30 0.13 0.00 -1.81 0.00 0.00 57.70 56.58 1h31 n MET 134 Cb 1.22 -1.69 0.47 0.00 -0.71 0.00 0.00 33.22 32.51 1h31 n MET 134 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h31 n THR 135 N -1.90 0.00 -1.63 2.03 -2.24 0.29 -4.34 114.28 106.48 1h31 n THR 135 Ca 0.03 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 1h31 n THR 135 Cb 0.24 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1h31 n THR 135 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h31 n LEU 136 N -1.28 8.27 -0.13 3.22 4.77 -0.81 -4.28 117.00 126.76 1h31 n LEU 136 Ca 0.09 -4.58 0.12 0.00 -0.03 0.00 0.00 56.01 51.62 1h31 n LEU 136 Cb 0.32 -1.45 0.27 0.00 -2.33 0.00 0.00 43.42 40.23 1h31 n LEU 136 CO 0.29 2.05 0.51 0.35 -1.33 0.00 0.00 177.39 179.26 1h31 n THR 137 N 2.58 0.00 -0.98 -5.08 -2.24 -1.26 -2.07 114.28 105.23 1h31 n THR 137 Ca 0.69 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 1h31 n THR 137 Cb 0.27 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1h31 n THR 137 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17