#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 3.40 -0.32 0.00 2.02 -1.26 -3.19 118.70 119.35 1h31 s GLU 2 Ca 0.00 -0.66 -0.20 0.00 0.02 0.00 0.00 54.97 54.13 1h31 s GLU 2 Cb 0.00 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 1h31 s GLU 2 CO 0.00 0.49 0.59 0.08 0.02 0.00 0.00 175.26 176.45 1h31 s VAL 3 N -1.81 4.96 0.74 2.63 1.01 0.85 -4.98 120.40 123.80 1h31 s VAL 3 Ca 0.34 0.69 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1h31 s VAL 3 Cb -0.10 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1h31 s VAL 3 CO 0.28 -0.16 1.17 0.00 0.00 0.00 0.00 175.10 176.38 1h31 s ALA 4 N 2.55 2.14 0.27 5.51 0.00 -1.26 -4.82 121.76 126.15 1h31 s ALA 4 Ca 0.23 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 1h31 s ALA 4 Cb -0.15 -3.41 0.57 0.00 0.00 0.00 0.00 23.12 20.13 1h31 s ALA 4 CO 0.12 -1.83 1.61 -1.35 0.00 0.00 0.00 175.76 174.32 1h31 h PRO 5 N -0.47 0.08 0.00 0.00 0.11 -1.98 0.14 132.00 129.88 1h31 h PRO 5 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h31 h PRO 5 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h31 h PRO 5 CO 0.50 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 1h31 n GLY 6 N -1.45 -1.22 0.00 -0.55 0.00 -1.26 -3.50 105.19 97.21 1h31 n GLY 6 Ca 0.18 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.28 0.94 -4.71 1.61 10.43 0.48 -4.99 116.55 119.03 1h31 n ASP 7 Ca 0.14 -0.94 -0.43 0.00 2.57 0.00 0.00 54.79 56.12 1h31 n ASP 7 Cb 0.22 1.05 -0.03 0.00 1.84 0.00 0.00 41.12 44.21 1h31 n ASP 7 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1h31 n VAL 8 N -1.53 0.29 -2.95 2.53 0.31 -1.15 -4.94 118.33 110.89 1h31 n VAL 8 Ca 0.04 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 1h31 n VAL 8 Cb 0.34 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.41 1h31 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h31 s ALA 9 N 0.75 3.60 -0.16 3.52 0.00 -1.26 -5.04 121.76 123.17 1h31 s ALA 9 Ca 0.73 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1h31 s ALA 9 Cb -0.56 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1h31 s ALA 9 CO 0.39 -1.00 -0.14 0.42 0.00 0.00 0.00 175.76 175.42 1h31 s ILE 10 N 2.82 1.63 0.34 0.00 1.01 -1.26 -4.44 121.20 121.30 1h31 s ILE 10 Ca 0.32 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 1h31 s ILE 10 Cb -0.15 -1.55 0.08 0.00 0.01 0.00 0.00 42.46 40.85 1h31 s ILE 10 CO 0.09 0.43 0.40 -0.90 0.00 0.00 0.00 174.94 174.96 1h31 n ASP 11 N 4.74 -0.37 0.00 3.58 5.68 -0.13 -4.84 116.55 125.21 1h31 n ASP 11 Ca -0.17 -1.03 0.10 0.00 -0.50 0.00 0.00 54.79 53.20 1h31 n ASP 11 Cb 0.50 -0.33 0.61 0.00 -1.14 0.00 0.00 41.12 40.76 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 1.62 -0.98 0.45 6.12 0.00 -1.26 -1.47 105.19 109.67 1h31 n GLY 12 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.83 1.87 -0.74 1.61 1.13 -1.26 -4.96 117.38 114.21 1h31 n GLN 13 Ca 0.15 -1.59 0.00 0.00 -1.94 0.00 0.00 57.00 53.62 1h31 n GLN 13 Cb 0.07 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.22 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 0.39 0.63 3.83 1.08 0.00 -0.54 -4.41 105.19 106.16 1h31 n GLY 14 Ca 0.08 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.51 -0.35 1.61 3.76 -1.26 -4.20 115.29 116.36 1h31 s HIS 15 Ca 0.00 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.27 1h31 s HIS 15 Cb 0.00 -2.60 0.10 0.00 1.11 0.00 0.00 32.58 31.19 1h31 s HIS 15 CO 0.00 0.20 0.09 0.08 -0.85 0.00 0.00 174.74 174.26 1h31 s VAL 16 N -1.77 1.76 0.06 -0.90 1.01 -0.73 -0.96 120.40 118.88 1h31 s VAL 16 Ca 0.49 -2.10 0.18 0.00 0.00 0.00 0.00 61.98 60.55 1h31 s VAL 16 Cb -0.13 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 34.06 1h31 s VAL 16 CO 0.19 -0.66 1.64 0.00 0.00 0.00 0.00 175.10 176.27 1h31 h ALA 17 N 7.64 0.88 -2.81 5.51 0.00 -1.82 -3.40 119.26 125.26 1h31 h ALA 17 Ca -0.07 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 1h31 h ALA 17 Cb 1.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1h31 h ALA 17 CO 0.51 0.52 -0.09 0.50 0.00 0.00 0.00 179.25 180.69 1h31 s ARG 18 N -3.38 4.27 0.51 0.00 3.52 -1.26 -4.92 118.95 117.68 1h31 s ARG 18 Ca 0.01 0.57 -0.23 0.00 -0.13 0.00 0.00 55.73 55.96 1h31 s ARG 18 Cb 0.10 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 1h31 s ARG 18 CO 0.70 0.33 1.32 -2.14 -0.81 0.00 0.00 175.30 174.69 1h31 s PRO 19 N 0.03 3.38 0.11 5.12 0.02 -1.26 -4.89 135.00 137.51 1h31 s PRO 19 Ca 0.28 2.14 0.19 0.00 0.02 0.00 0.00 61.00 63.63 1h31 s PRO 19 Cb -0.17 -2.36 0.80 0.00 0.02 0.00 0.00 34.50 32.80 1h31 s PRO 19 CO 0.14 -0.97 1.60 1.28 -0.33 0.00 0.00 177.00 178.72 1h31 n LEU 20 N -0.76 0.29 -4.11 -5.54 4.77 -1.26 -4.75 117.00 105.64 1h31 n LEU 20 Ca 0.09 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.54 1h31 n LEU 20 Cb 0.45 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1h31 n LEU 20 CO 0.52 -0.35 -0.23 0.28 -1.33 0.00 0.00 177.39 176.28 1h31 s THR 21 N -3.13 0.09 -0.00 -5.08 -1.32 -1.26 -0.10 115.64 104.83 1h31 s THR 21 Ca 0.06 -1.80 0.11 0.00 -1.21 0.00 0.00 61.69 58.86 1h31 s THR 21 Cb 0.10 -2.02 -0.22 0.00 -1.51 0.00 0.00 72.50 68.85 1h31 s THR 21 CO 0.34 -0.41 0.81 0.44 -2.21 0.00 0.00 174.62 173.60 1h31 h ASP 22 N 2.78 0.00 -1.47 8.08 3.32 -1.86 -3.46 116.42 123.82 1h31 h ASP 22 Ca -0.34 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.03 1h31 h ASP 22 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1h31 h ASP 22 CO 0.56 1.00 1.20 0.00 -1.72 0.00 0.00 179.24 180.28 1h31 n ALA 23 N -2.50 0.71 -1.76 3.45 0.00 -1.26 -4.90 120.51 114.25 1h31 n ALA 23 Ca -0.13 0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1h31 n ALA 23 Cb 1.02 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 4.97 3.54 0.36 0.00 0.02 -1.26 -4.92 135.00 137.72 1h31 s PRO 24 Ca 1.02 2.06 -0.27 0.00 0.02 0.00 0.00 61.00 63.84 1h31 s PRO 24 Cb -0.86 -2.42 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 1h31 s PRO 24 CO 0.54 -0.81 1.17 0.20 -0.33 0.00 0.00 177.00 177.77 1h31 s GLY 25 N -1.04 2.92 -0.49 0.52 0.00 -1.26 -4.88 107.32 103.10 1h31 s GLY 25 Ca 0.65 0.99 -0.16 0.00 0.00 0.00 0.00 44.72 46.20 1h31 s GLY 25 CO 0.44 1.54 0.46 -0.35 0.00 0.00 0.00 173.10 175.18 1h31 s ASP 26 N -1.00 6.17 0.22 1.64 2.15 -1.26 -4.80 116.67 119.78 1h31 s ASP 26 Ca 0.53 -1.28 -0.14 0.00 0.43 0.00 0.00 52.55 52.09 1h31 s ASP 26 Cb -0.32 -2.21 0.26 0.00 -0.30 0.00 0.00 42.92 40.35 1h31 s ASP 26 CO 0.41 -0.72 1.61 -0.65 -0.17 0.00 0.00 175.17 175.64 1h31 h PRO 27 N 8.82 -0.03 -0.10 4.34 0.11 -1.87 0.23 132.00 143.51 1h31 h PRO 27 Ca -0.28 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.86 1h31 h PRO 27 Cb 1.11 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1h31 h PRO 27 CO 0.91 -0.02 -0.12 0.28 -0.21 0.00 0.00 178.00 178.85 1h31 h VAL 28 N -0.03 0.68 -0.66 3.15 2.07 -1.93 0.19 116.25 119.72 1h31 h VAL 28 Ca 0.32 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 1h31 h VAL 28 Cb 0.53 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1h31 h VAL 28 CO -0.73 0.00 0.31 -0.08 0.02 0.00 0.00 177.57 177.09 1h31 h GLU 29 N -0.15 0.94 -0.01 1.57 4.57 -1.63 -2.40 114.58 117.47 1h31 h GLU 29 Ca 0.08 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1h31 h GLU 29 Cb 0.26 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1h31 h GLU 29 CO -0.19 0.73 -0.16 0.78 -1.18 0.00 0.00 179.01 179.00 1h31 h GLY 30 N 1.01 -0.19 -0.62 1.92 0.00 0.67 -0.63 103.07 105.23 1h31 h GLY 30 Ca 0.23 0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.85 1h31 h GLY 30 CO -0.03 -0.15 -0.40 -0.09 0.00 0.00 0.00 176.54 175.86 1h31 h ARG 31 N -0.25 -0.14 -0.54 4.80 2.43 -0.21 -0.36 114.38 120.11 1h31 h ARG 31 Ca 0.05 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1h31 h ARG 31 Cb 0.32 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1h31 h ARG 31 CO -0.16 -0.09 0.24 0.00 -1.51 0.00 0.00 179.97 178.45 1h31 h ARG 32 N -0.14 0.44 -0.06 0.20 3.08 -0.91 -2.93 114.38 114.06 1h31 h ARG 32 Ca 0.23 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1h31 h ARG 32 Cb 0.56 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1h31 h ARG 32 CO -0.77 0.29 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.17 1h31 h LEU 33 N 0.45 0.09 -1.46 3.04 3.38 0.45 -2.61 115.31 118.65 1h31 h LEU 33 Ca 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1h31 h LEU 33 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1h31 h LEU 33 CO -0.21 0.28 0.00 0.24 0.09 0.00 0.00 178.44 178.83 1h31 h MET 34 N 0.09 0.00 0.00 1.13 2.86 -1.31 -2.77 114.93 114.92 1h31 h MET 34 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1h31 h MET 34 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1h31 h MET 34 CO 0.03 0.00 -1.11 0.25 1.06 0.00 0.00 176.91 177.13 1h31 n THR 35 N -2.64 0.02 -2.91 2.22 -2.24 -0.98 -1.08 114.28 106.66 1h31 n THR 35 Ca 0.00 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1h31 n THR 35 Cb 0.19 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -3.34 6.43 0.53 3.42 -1.08 -1.05 -4.82 116.67 116.76 1h31 s ASP 36 Ca 0.05 -0.06 0.36 0.00 -0.52 0.00 0.00 52.55 52.38 1h31 s ASP 36 Cb 0.16 -2.41 1.91 0.00 -1.46 0.00 0.00 42.92 41.12 1h31 s ASP 36 CO 0.85 -0.98 2.10 -0.09 0.52 0.00 0.00 175.17 177.57 1h31 h ARG 37 N 9.03 0.00 0.00 4.34 2.43 -1.89 -0.75 114.38 127.54 1h31 h ARG 37 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1h31 h ARG 37 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1h31 h ARG 37 CO 0.99 0.00 0.00 0.77 -1.51 0.00 0.00 179.97 180.22 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 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1h31 h SER 38 CO 0.00 0.00 0.00 0.52 -1.14 0.00 0.00 176.83 176.21 1h31 n VAL 39 N -2.69 0.00 0.10 2.27 0.31 -0.38 -4.96 118.33 112.98 1h31 n VAL 39 Ca 0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.15 1h31 n VAL 39 Cb 0.41 -0.15 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 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 0.47 -6.76 2.92 0.00 -1.57 -3.45 103.07 94.68 1h31 h GLY 40 Ca 0.00 -1.20 -0.55 0.00 0.00 0.00 0.00 47.33 45.58 1h31 h GLY 40 CO 0.00 1.05 -0.86 -2.01 0.00 0.00 0.00 176.54 174.72 1h31 n ASN 41 N -3.60 -2.47 -0.12 0.19 4.05 -0.69 -4.91 115.26 107.72 1h31 n ASN 41 Ca -0.19 -1.04 -0.13 0.00 0.45 0.00 0.00 54.58 53.66 1h31 n ASN 41 Cb 1.08 -2.66 -0.02 0.00 1.23 0.00 0.00 39.78 39.40 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 -4.07 0.00 0.22 0.00 -0.00 -1.12 -1.04 119.36 113.35 1h31 n ILE 43 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.80 1h31 n ILE 43 Cb 0.55 -0.43 0.50 0.00 -0.00 0.00 0.00 39.64 40.26 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 3.63 1.27 0.00 -1.28 0.00 -1.85 0.35 119.26 121.37 1h31 h ALA 44 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1h31 h ALA 44 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h31 h ALA 44 CO 0.00 0.33 -0.92 0.00 0.00 0.00 0.00 179.25 178.66 1h31 s HIS 46 N -2.11 1.86 0.16 0.00 3.76 -0.20 -1.01 115.29 117.75 1h31 s HIS 46 Ca -0.01 -0.60 -0.23 0.00 -0.15 0.00 0.00 55.06 54.07 1h31 s HIS 46 Cb 0.04 -1.27 -0.08 0.00 1.11 0.00 0.00 32.58 32.39 1h31 s HIS 46 CO 0.25 -0.23 0.73 -1.21 -0.85 0.00 0.00 174.74 173.43 1h31 s GLU 47 N 0.18 4.45 -0.28 1.40 2.02 -1.23 -4.08 118.70 121.17 1h31 s GLU 47 Ca -0.08 1.04 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1h31 s GLU 47 Cb -0.13 -3.20 0.08 0.00 0.10 0.00 0.00 34.13 30.98 1h31 s GLU 47 CO 0.04 0.56 0.04 0.08 0.02 0.00 0.00 175.26 175.99 1h31 s VAL 48 N -1.20 1.25 0.10 2.63 1.01 -1.26 -1.38 120.40 121.55 1h31 s VAL 48 Ca 0.36 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 1h31 s VAL 48 Cb -0.21 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1h31 s VAL 48 CO 0.24 -0.43 1.67 0.71 0.00 0.00 0.00 175.10 177.29 1h31 h THR 49 N 6.57 1.14 -1.86 3.92 1.35 -1.97 -0.39 112.91 121.67 1h31 h THR 49 Ca -0.14 -0.41 0.54 0.00 -0.55 0.00 0.00 66.41 65.85 1h31 h THR 49 Cb 1.05 1.01 -0.07 0.00 -1.73 0.00 0.00 68.15 68.40 1h31 h THR 49 CO 0.44 0.14 1.34 -0.08 -0.25 0.00 0.00 175.52 177.11 1h31 h GLU 50 N 0.22 0.00 -3.17 4.72 4.22 -2.01 0.06 114.58 118.63 1h31 h GLU 50 Ca 0.08 0.00 -0.73 0.00 0.08 0.00 0.00 59.36 58.79 1h31 h GLU 50 Cb 0.13 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 1h31 h GLU 50 CO -0.01 0.00 2.73 -1.33 -2.18 0.00 0.00 179.01 178.23 1h31 n MET 51 N -3.97 3.85 -0.07 1.92 2.81 -0.16 -4.77 117.12 116.73 1h31 n MET 51 Ca 0.42 -3.07 0.19 0.00 -1.81 0.00 0.00 57.70 53.43 1h31 n MET 51 Cb 1.90 -2.85 0.63 0.00 -0.71 0.00 0.00 33.22 32.19 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 5.23 2.41 0.00 3.04 0.00 -1.17 1.22 119.26 130.00 1h31 h ALA 52 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1h31 h ALA 52 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h31 h ALA 52 CO 1.65 -0.59 0.00 -0.25 0.00 0.00 0.00 179.25 180.07 1h31 n ASP 53 N -4.40 0.00 0.00 0.00 8.00 -1.26 -4.54 116.55 114.35 1h31 n ASP 53 Ca 0.12 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1h31 n ASP 53 Cb 0.62 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1h31 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h31 n ALA 54 N -1.14 0.00 -0.13 2.24 0.00 0.42 -4.99 120.51 116.91 1h31 n ALA 54 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1h31 n ALA 54 Cb 0.16 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.53 0.00 -3.50 0.00 7.27 -1.26 -4.93 117.38 114.43 1h31 n GLN 55 Ca 0.00 0.06 -0.22 0.00 0.07 0.00 0.00 57.00 56.91 1h31 n GLN 55 Cb 0.00 -0.07 0.06 0.00 2.41 0.00 0.00 30.24 32.64 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 2.39 -2.15 -1.83 3.69 3.72 -1.26 -4.96 117.46 117.07 1h31 n PHE 56 Ca 0.00 0.74 -0.33 0.00 -0.05 0.00 0.00 57.45 57.80 1h31 n PHE 56 Cb 0.00 -4.06 0.04 0.00 -0.94 0.00 0.00 39.48 34.52 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 -5.32 2.87 0.91 -1.08 0.04 -1.26 -4.81 135.00 126.35 1h31 s PRO 57 Ca 0.32 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1h31 s PRO 57 Cb -0.07 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1h31 s PRO 57 CO 0.79 -1.20 1.21 0.20 0.04 0.00 0.00 177.00 178.05 1h31 s GLY 58 N -2.43 1.65 0.00 0.56 0.00 0.12 -4.84 107.32 102.38 1h31 s GLY 58 Ca 0.68 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1h31 s GLY 58 CO 0.39 -0.20 0.60 -1.30 0.00 0.00 0.00 173.10 172.59 1h31 n THR 59 N -3.67 0.36 0.14 0.90 -2.24 -1.24 -3.49 114.28 105.04 1h31 n THR 59 Ca 0.10 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1h31 n THR 59 Cb 0.60 0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.90 0.78 -3.39 2.28 2.07 -1.85 -3.43 116.25 113.61 1h31 h VAL 60 Ca 0.00 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 67.04 1h31 h VAL 60 Cb 0.51 0.78 0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1h31 h VAL 60 CO 0.00 0.00 0.07 -0.83 0.02 0.00 0.00 177.57 176.83 1h31 s GLY 61 N -2.17 1.53 0.67 2.17 0.00 -0.18 -5.06 107.32 104.28 1h31 s GLY 61 Ca -0.14 -0.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.73 1h31 s GLY 61 CO 0.65 -0.50 1.12 2.56 0.00 0.00 0.00 173.10 176.92 1h31 s PRO 62 N -4.76 2.72 0.21 2.90 0.04 -1.26 -4.64 135.00 130.21 1h31 s PRO 62 Ca 0.49 1.40 -0.32 0.00 0.04 0.00 0.00 61.00 62.61 1h31 s PRO 62 Cb -0.10 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 1h31 s PRO 62 CO 0.43 -1.32 1.32 0.45 0.04 0.00 0.00 177.00 177.92 1h31 n SER 63 N -2.51 2.23 -0.05 6.66 2.88 -1.26 -4.56 113.62 117.01 1h31 n SER 63 Ca 0.10 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 1h31 n SER 63 Cb 0.52 -1.35 0.46 0.00 -0.75 0.00 0.00 64.21 63.09 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 2.13 0.38 -3.81 2.46 4.77 -0.48 -4.87 117.00 117.58 1h31 n LEU 64 Ca 0.13 0.13 -0.54 0.00 -0.03 0.00 0.00 56.01 55.71 1h31 n LEU 64 Cb 0.29 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1h31 n LEU 64 CO 0.62 0.08 0.83 0.47 -1.33 0.00 0.00 177.39 178.06 1h31 n ASP 65 N -1.30 0.76 -0.02 -1.43 8.00 -1.26 -1.78 116.55 119.52 1h31 n ASP 65 Ca 0.09 0.96 -0.00 0.00 0.71 0.00 0.00 54.79 56.54 1h31 n ASP 65 Cb 0.32 -0.72 -0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 2.79 0.42 0.30 0.44 0.00 -0.85 -4.87 105.19 103.42 1h31 n GLY 66 Ca 0.23 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.76 0.00 1.61 3.04 -1.15 -0.63 116.25 119.88 1h31 h VAL 67 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1h31 h VAL 67 Cb 0.19 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1h31 h VAL 67 CO 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.57 1h31 h ALA 68 N 1.93 1.00 0.00 3.17 0.00 -1.55 -1.74 119.26 122.06 1h31 h ALA 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1h31 h ALA 68 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h31 h ALA 68 CO -0.00 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.26 1h31 n ALA 69 N -1.90 2.90 -0.03 0.00 0.00 -0.27 -4.42 120.51 116.78 1h31 n ALA 69 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 1h31 n ALA 69 Cb 0.40 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.29 1.32 -5.17 0.00 1.85 -1.01 -5.00 116.66 106.36 1h31 n ARG 70 Ca 0.01 -0.05 -0.29 0.00 -1.00 0.00 0.00 57.85 56.51 1h31 n ARG 70 Cb 0.49 -1.29 -0.16 0.00 -1.05 0.00 0.00 32.46 30.45 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 -2.54 2.13 0.78 2.89 2.02 -0.67 -5.11 117.35 116.85 1h31 s TYR 71 Ca -0.05 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1h31 s TYR 71 Cb 0.05 -1.37 0.06 0.00 -0.40 0.00 0.00 41.96 40.30 1h31 s TYR 71 CO 0.48 -0.06 1.08 -1.25 -1.57 0.00 0.00 175.55 174.23 1h31 s PRO 72 N -0.48 2.22 0.28 -1.71 0.04 -1.26 -4.56 135.00 129.53 1h31 s PRO 72 Ca 0.07 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.98 1h31 s PRO 72 Cb -0.10 -1.92 0.64 0.00 0.04 0.00 0.00 34.50 33.16 1h31 s PRO 72 CO -0.00 -1.58 1.71 1.49 0.04 0.00 0.00 177.00 178.66 1h31 h GLU 73 N -1.07 0.43 -0.18 4.56 4.81 -1.96 -2.14 114.58 119.03 1h31 h GLU 73 Ca -0.46 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1h31 h GLU 73 Cb 1.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1h31 h GLU 73 CO 0.56 0.28 -0.12 0.00 -0.73 0.00 0.00 179.01 179.00 1h31 h ALA 74 N 1.65 1.47 -0.08 2.92 0.00 -1.92 -0.33 119.26 122.97 1h31 h ALA 74 Ca 0.51 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1h31 h ALA 74 Cb 0.90 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1h31 h ALA 74 CO -0.48 0.38 -0.88 1.98 0.00 0.00 0.00 179.25 180.25 1h31 h MET 75 N 0.27 0.69 -0.48 0.00 1.85 -1.69 -1.59 114.93 113.98 1h31 h MET 75 Ca 0.05 -0.64 -0.06 0.00 -0.61 0.00 0.00 59.70 58.45 1h31 h MET 75 Cb 0.39 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 1h31 h MET 75 CO 0.02 1.24 0.06 0.82 -0.40 0.00 0.00 176.91 178.65 1h31 h ILE 76 N 0.44 1.25 -0.55 1.77 2.04 -1.04 -0.39 117.51 121.03 1h31 h ILE 76 Ca -0.08 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 1h31 h ILE 76 Cb 1.51 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1h31 h ILE 76 CO 0.17 0.34 0.13 -0.09 0.00 0.00 0.00 178.15 178.70 1h31 h ARG 77 N 0.67 0.84 -0.62 2.37 2.43 -1.08 -2.34 114.38 116.65 1h31 h ARG 77 Ca 0.14 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1h31 h ARG 77 Cb 0.42 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1h31 h ARG 77 CO 0.01 0.76 0.23 0.78 -1.51 0.00 0.00 179.97 180.24 1h31 h GLY 78 N 0.97 0.98 1.92 2.80 0.00 -0.75 0.05 103.07 109.04 1h31 h GLY 78 Ca 0.18 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1h31 h GLY 78 CO -0.00 0.49 0.03 -2.22 0.00 0.00 0.00 176.54 174.84 1h31 h ILE 79 N 0.89 0.74 0.00 2.60 2.04 -0.53 -0.56 117.51 122.69 1h31 h ILE 79 Ca 0.21 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.95 1h31 h ILE 79 Cb 0.20 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1h31 h ILE 79 CO -0.02 0.00 -1.95 0.18 0.00 0.00 0.00 178.15 176.36 1h31 n LEU 80 N -4.17 0.17 0.09 1.44 4.77 -0.42 -1.94 117.00 116.93 1h31 n LEU 80 Ca -0.02 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1h31 n LEU 80 Cb 0.13 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1h31 n LEU 80 CO 0.31 0.13 0.41 0.58 -1.33 0.00 0.00 177.39 177.49 1h31 h VAL 81 N 0.00 0.74 -1.27 4.08 2.07 -0.60 -2.84 116.25 118.42 1h31 h VAL 81 Ca -0.17 -0.97 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1h31 h VAL 81 Cb 1.40 1.20 -0.23 0.00 -1.52 0.00 0.00 31.29 32.15 1h31 h VAL 81 CO 0.01 0.18 -0.51 0.21 0.02 0.00 0.00 177.57 177.48 1h31 s ASN 82 N -5.34 -0.78 0.49 0.57 3.84 -0.26 -1.57 114.94 111.88 1h31 s ASN 82 Ca -0.12 -0.93 0.37 0.00 0.21 0.00 0.00 52.86 52.39 1h31 s ASN 82 Cb 0.01 1.58 1.54 0.00 -0.55 0.00 0.00 41.25 43.83 1h31 s ASN 82 CO 0.47 -0.21 1.62 0.77 -2.79 0.00 0.00 177.10 176.96 1h31 h SER 83 N 7.10 0.14 0.35 -4.21 4.64 -1.49 -0.09 113.55 119.99 1h31 h SER 83 Ca 0.04 0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1h31 h SER 83 Cb 1.15 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1h31 h SER 83 CO 0.13 -0.12 -0.39 0.11 -0.87 0.00 0.00 176.83 175.69 1h31 h LYS 84 N 0.04 0.07 0.00 4.77 6.56 -1.86 0.47 116.57 126.63 1h31 h LYS 84 Ca 0.84 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 60.40 1h31 h LYS 84 Cb 2.96 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.62 1h31 h LYS 84 CO -0.26 0.46 -0.00 -0.91 -2.06 0.00 0.00 179.45 176.68 1h31 h ASN 85 N 0.06 0.00 0.00 0.86 2.35 -1.34 -2.45 115.58 115.06 1h31 h ASN 85 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1h31 h ASN 85 Cb 0.73 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 1h31 h ASN 85 CO 0.05 0.00 -1.98 0.52 -1.65 0.00 0.00 177.43 174.37 1h31 n VAL 86 N -3.96 0.99 -3.62 2.81 0.31 -0.64 -4.06 118.33 110.16 1h31 n VAL 86 Ca -0.03 -0.48 -0.28 0.00 -0.01 0.00 0.00 64.34 63.54 1h31 n VAL 86 Cb 0.08 -0.91 -0.12 0.00 -0.91 0.00 0.00 33.84 31.99 1h31 n VAL 86 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1h31 s PHE 87 N -2.35 1.92 0.26 3.52 0.08 0.16 -5.06 117.98 116.52 1h31 s PHE 87 Ca -0.16 -2.53 -0.29 0.00 0.12 0.00 0.00 56.93 54.06 1h31 s PHE 87 Cb 0.05 -1.64 -0.14 0.00 -0.57 0.00 0.00 43.02 40.72 1h31 s PHE 87 CO 0.48 -0.75 1.09 -2.30 -0.10 0.00 0.00 175.22 173.64 1h31 n PRO 88 N 2.97 1.39 -1.11 0.24 -0.02 -0.93 -2.01 135.00 135.54 1h31 n PRO 88 Ca 0.19 0.49 -0.04 0.00 -2.02 0.00 0.00 63.50 62.13 1h31 n PRO 88 Cb 0.40 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.06 -0.86 -2.48 -0.52 1.02 -1.26 -4.98 120.64 112.61 1h31 n GLU 89 Ca 0.11 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.37 1h31 n GLU 89 Cb 0.30 -4.25 -0.03 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 -1.83 3.65 -0.57 2.62 -1.32 -0.85 -4.94 115.64 112.39 1h31 s THR 90 Ca 0.00 1.04 0.24 0.00 -1.21 0.00 0.00 61.69 61.77 1h31 s THR 90 Cb 0.00 -3.43 0.26 0.00 -1.51 0.00 0.00 72.50 67.82 1h31 s THR 90 CO 0.00 -0.21 1.61 -0.37 -2.21 0.00 0.00 174.62 173.44 1h31 h VAL 91 N 1.52 0.00 -2.11 5.08 -1.51 -1.94 -3.45 116.25 113.85 1h31 h VAL 91 Ca -0.50 -0.72 -0.60 0.00 -1.23 0.00 0.00 66.70 63.65 1h31 h VAL 91 Cb 1.23 1.63 0.03 0.00 -2.13 0.00 0.00 31.29 32.05 1h31 h VAL 91 CO 0.59 0.00 1.01 0.80 -1.23 0.00 0.00 177.57 178.73 1h31 n MET 92 N -2.60 2.18 -1.05 5.19 0.00 -1.26 -4.93 117.12 114.66 1h31 n MET 92 Ca 0.04 0.80 -0.33 0.00 -0.00 0.00 0.00 57.70 58.21 1h31 n MET 92 Cb 0.48 -2.62 0.13 0.00 0.00 0.00 0.00 33.22 31.21 1h31 n MET 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1h31 n PRO 93 N 5.65 0.09 -3.40 2.12 -0.02 -1.26 -4.73 135.00 133.46 1h31 n PRO 93 Ca 0.21 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1h31 n PRO 93 Cb 0.29 -2.41 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 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 -2.19 3.57 -0.89 3.55 0.00 -1.26 -4.41 121.76 120.13 1h31 s ALA 94 Ca 0.72 -0.80 0.23 0.00 0.00 0.00 0.00 51.96 52.11 1h31 s ALA 94 Cb -0.28 -2.70 0.09 0.00 0.00 0.00 0.00 23.12 20.23 1h31 s ALA 94 CO 0.52 -0.62 1.10 0.66 0.00 0.00 0.00 175.76 177.42 1h31 n TYR 95 N 5.25 0.06 -2.39 0.00 4.01 -1.08 -4.04 117.16 118.96 1h31 n TYR 95 Ca -0.09 0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 1h31 n TYR 95 Cb 0.51 -0.20 0.05 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.62 1.71 -4.31 -0.72 9.36 -0.61 -2.03 117.16 118.93 1h31 n TYR 96 Ca 0.04 -2.01 -0.32 0.00 3.32 0.00 0.00 57.90 58.93 1h31 n TYR 96 Cb 0.36 -0.27 -0.09 0.00 -0.63 0.00 0.00 39.34 38.71 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 -3.41 2.65 -0.05 2.98 1.81 -1.25 -4.69 118.95 116.98 1h31 s ARG 97 Ca 0.38 -0.70 0.08 0.00 -1.72 0.00 0.00 55.73 53.77 1h31 s ARG 97 Cb 0.37 -2.58 0.12 0.00 -0.45 0.00 0.00 34.95 32.40 1h31 s ARG 97 CO -0.02 0.60 1.02 1.33 -0.68 0.00 0.00 175.30 177.55 1h31 n VAL 98 N 1.29 0.85 -3.97 3.52 0.24 -1.26 -4.49 118.33 114.50 1h31 n VAL 98 Ca -0.14 -1.00 -0.08 0.00 -2.04 0.00 0.00 64.34 61.07 1h31 n VAL 98 Cb 0.52 0.24 -0.09 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.25 0.69 0.00 7.34 2.02 -1.26 -4.64 118.70 121.59 1h31 s GLU 99 Ca 0.13 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1h31 s GLU 99 Cb 0.11 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1h31 s GLU 99 CO 0.01 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1h31 n GLY 100 N 0.19 0.46 3.94 -1.39 0.00 -1.26 -5.04 105.19 102.09 1h31 n GLY 100 Ca -0.15 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 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 2.59 -0.29 1.61 0.08 -1.26 -5.06 117.98 113.64 1h31 s PHE 101 Ca 0.00 0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.40 1h31 s PHE 101 Cb 0.00 -3.29 0.09 0.00 -0.57 0.00 0.00 43.02 39.25 1h31 s PHE 101 CO 0.00 -1.60 0.02 1.21 -0.10 0.00 0.00 175.22 174.75 1h31 s ASN 102 N -4.59 4.24 -1.03 1.36 3.84 -1.26 -4.78 114.94 112.72 1h31 s ASN 102 Ca 0.63 -1.66 -0.00 0.00 0.21 0.00 0.00 52.86 52.03 1h31 s ASN 102 Cb -0.09 -1.26 0.00 0.00 -0.55 0.00 0.00 41.25 39.35 1h31 s ASN 102 CO 0.46 -0.34 0.86 0.54 -2.79 0.00 0.00 177.10 175.83 1h31 n ARG 103 N 4.57 -5.71 -2.21 0.43 1.74 -1.26 -4.97 116.66 109.25 1h31 n ARG 103 Ca -0.04 0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 57.35 1h31 n ARG 103 Cb 0.43 -5.37 -0.03 0.00 -1.02 0.00 0.00 32.46 26.47 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 -5.21 4.38 0.35 5.56 0.04 -1.26 -4.99 135.00 133.87 1h31 s PRO 104 Ca 0.02 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.20 1h31 s PRO 104 Cb -0.01 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1h31 s PRO 104 CO 0.62 -0.27 0.39 0.20 0.04 0.00 0.00 177.00 177.99 1h31 s GLY 105 N 0.37 1.77 -0.35 0.56 0.00 -1.26 -2.07 107.32 106.34 1h31 s GLY 105 Ca 0.57 -1.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 1h31 s GLY 105 CO 0.38 -1.51 1.41 -0.42 0.00 0.00 0.00 173.10 172.96 1h31 s ILE 106 N -2.28 3.94 0.00 0.90 1.01 0.58 -4.63 121.20 120.71 1h31 s ILE 106 Ca 0.44 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1h31 s ILE 106 Cb -0.07 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1h31 s ILE 106 CO 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 174.94 174.63 1h31 n ALA 107 N 8.44 0.00 -1.51 9.38 0.00 -1.26 -1.42 120.51 134.14 1h31 n ALA 107 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 1h31 n ALA 107 Cb 0.47 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.09 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 14.00 1.48 0.37 0.00 3.72 -1.26 -4.62 117.46 131.14 1h31 n PHE 108 Ca 0.00 -1.79 0.12 0.00 -0.05 0.00 0.00 57.45 55.73 1h31 n PHE 108 Cb 0.00 -0.56 0.10 0.00 -0.94 0.00 0.00 39.48 38.08 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 1.13 0.00 0.00 4.37 1.35 -1.62 -3.48 112.91 114.66 1h31 h THR 109 Ca 0.28 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1h31 h THR 109 Cb 1.63 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1h31 h THR 109 CO 0.54 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.61 1h31 n SER 110 N -2.38 0.00 -4.86 5.36 7.64 -1.26 -5.03 113.62 113.09 1h31 n SER 110 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 1h31 n SER 110 Cb 0.49 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.12 3.88 0.31 1.43 -0.14 -1.26 -4.93 119.74 118.90 1h31 s LYS 111 Ca 0.00 0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 1h31 s LYS 111 Cb 0.00 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.32 1h31 s LYS 111 CO 0.00 0.36 1.28 -2.14 -0.76 0.00 0.00 175.35 174.09 1h31 s PRO 112 N -2.52 4.40 0.12 -1.68 0.02 -1.26 -0.31 135.00 133.77 1h31 s PRO 112 Ca 0.44 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.29 1h31 s PRO 112 Cb -0.12 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.19 1h31 s PRO 112 CO 0.20 -0.14 1.79 0.42 -0.33 0.00 0.00 177.00 178.94 1h31 s ILE 113 N -0.96 2.57 -0.28 2.83 1.01 -0.88 -4.60 121.20 120.90 1h31 s ILE 113 Ca 0.49 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 1h31 s ILE 113 Cb -0.38 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.02 1h31 s ILE 113 CO 0.49 0.00 0.05 -1.61 0.00 0.00 0.00 174.94 173.87 1h31 s GLU 114 N 2.56 3.09 0.00 2.79 2.02 -1.26 -5.02 118.70 122.88 1h31 s GLU 114 Ca 0.79 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1h31 s GLU 114 Cb -0.45 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1h31 s GLU 114 CO 0.35 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1h31 n GLY 115 N 4.83 0.22 3.71 -1.39 0.00 -1.26 -4.97 105.19 106.33 1h31 n GLY 115 Ca -0.15 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 2.52 -3.09 1.61 2.13 -1.26 -4.95 120.64 117.60 1h31 n GLU 116 Ca 0.00 0.90 -0.40 0.00 0.66 0.00 0.00 57.16 58.32 1h31 n GLU 116 Cb 0.00 -2.68 -0.06 0.00 0.27 0.00 0.00 31.44 28.98 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 0.40 5.01 0.34 6.31 1.01 -1.26 -5.05 121.20 127.95 1h31 s ILE 117 Ca 0.69 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 62.52 1h31 s ILE 117 Cb -0.55 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 1h31 s ILE 117 CO 0.43 0.12 0.65 -0.13 0.00 0.00 0.00 174.94 176.02 1h31 s ARG 118 N 1.80 3.71 0.67 2.79 0.52 -1.26 -4.82 118.95 122.35 1h31 s ARG 118 Ca 0.30 0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 55.58 1h31 s ARG 118 Cb -0.16 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.79 1h31 s ARG 118 CO 0.11 0.10 1.16 -2.14 0.02 0.00 0.00 175.30 174.56 1h31 s PRO 119 N -3.66 2.57 0.39 3.54 0.02 -1.26 -4.89 135.00 131.71 1h31 s PRO 119 Ca 0.47 1.62 0.13 0.00 0.02 0.00 0.00 61.00 63.24 1h31 s PRO 119 Cb -0.11 -1.90 0.96 0.00 0.02 0.00 0.00 34.50 33.47 1h31 s PRO 119 CO 0.30 -1.47 1.88 -0.07 -0.33 0.00 0.00 177.00 177.31 1h31 h LEU 120 N 0.08 0.51 -8.14 -5.54 3.38 -1.74 -3.42 115.31 100.44 1h31 h LEU 120 Ca -0.48 0.04 -0.32 0.00 0.09 0.00 0.00 57.88 57.21 1h31 h LEU 120 Cb 1.27 -0.06 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 1h31 h LEU 120 CO 0.52 0.25 -0.75 -0.04 0.09 0.00 0.00 178.44 178.51 1h31 s MET 121 N -5.53 0.57 0.86 1.13 -1.94 -0.86 -4.82 119.30 108.72 1h31 s MET 121 Ca -0.09 -0.63 -0.12 0.00 -1.71 0.00 0.00 55.69 53.14 1h31 s MET 121 Cb 0.22 -0.43 0.11 0.00 2.01 0.00 0.00 34.83 36.73 1h31 s MET 121 CO 0.78 0.10 1.12 0.95 -0.01 0.00 0.00 175.02 177.96 1h31 s THR 122 N -1.01 2.38 0.15 2.05 -4.23 -1.26 -4.71 115.64 109.01 1h31 s THR 122 Ca -0.05 0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 1h31 s THR 122 Cb -0.08 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1h31 s THR 122 CO 0.00 -0.16 1.65 0.00 -0.54 0.00 0.00 174.62 175.57 1h31 h ALA 123 N -1.33 -0.06 -0.39 3.99 0.00 -1.91 -0.80 119.26 118.77 1h31 h ALA 123 Ca -0.49 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1h31 h ALA 123 Cb 1.31 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1h31 h ALA 123 CO 0.61 -0.62 0.11 0.78 0.00 0.00 0.00 179.25 180.14 1h31 h GLY 124 N -0.20 0.48 1.02 0.00 0.00 -1.93 -0.56 103.07 101.88 1h31 h GLY 124 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1h31 h GLY 124 CO -0.34 0.00 0.53 1.46 0.00 0.00 0.00 176.54 178.19 1h31 h GLN 125 N 0.26 1.25 -0.37 4.80 4.20 -1.87 0.25 115.11 123.63 1h31 h GLN 125 Ca 0.18 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1h31 h GLN 125 Cb 0.18 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1h31 h GLN 125 CO -0.20 0.89 -0.01 0.82 -0.67 0.00 0.00 178.83 179.66 1h31 h ILE 126 N 1.26 1.26 -0.39 2.54 2.04 -0.78 -1.30 117.51 122.14 1h31 h ILE 126 Ca 0.32 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1h31 h ILE 126 Cb -0.02 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1h31 h ILE 126 CO -0.06 0.34 0.08 -0.33 0.00 0.00 0.00 178.15 178.18 1h31 h GLU 127 N 0.48 0.64 -0.66 2.37 4.39 -0.55 0.87 114.58 122.11 1h31 h GLU 127 Ca 0.10 -0.17 0.13 0.00 0.34 0.00 0.00 59.36 59.77 1h31 h GLU 127 Cb 0.48 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.96 1h31 h GLU 127 CO 0.02 0.68 0.15 -0.44 -1.16 0.00 0.00 179.01 178.26 1h31 h ASP 128 N 0.49 0.01 -0.17 1.42 3.32 -0.44 0.13 116.42 121.18 1h31 h ASP 128 Ca 0.12 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1h31 h ASP 128 Cb 0.34 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1h31 h ASP 128 CO 0.01 -0.01 -0.20 0.58 -1.72 0.00 0.00 179.24 177.90 1h31 h VAL 129 N 0.27 1.34 -0.53 -1.35 2.07 -0.54 -1.52 116.25 115.99 1h31 h VAL 129 Ca 0.36 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1h31 h VAL 129 Cb 0.57 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1h31 h VAL 129 CO -0.45 0.41 0.26 0.58 0.02 0.00 0.00 177.57 178.39 1h31 h VAL 130 N 0.07 0.92 -0.30 2.57 2.07 -0.64 0.33 116.25 121.28 1h31 h VAL 130 Ca 0.02 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1h31 h VAL 130 Cb 0.75 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1h31 h VAL 130 CO 0.05 0.09 -0.20 0.00 0.02 0.00 0.00 177.57 177.53 1h31 h ALA 131 N 1.30 0.00 0.31 1.67 0.00 -0.55 0.15 119.26 122.15 1h31 h ALA 131 Ca 0.24 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1h31 h ALA 131 Cb 0.18 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1h31 h ALA 131 CO -0.18 -0.60 -0.42 -0.92 0.00 0.00 0.00 179.25 177.13 1h31 h TYR 132 N -0.17 -1.19 -1.22 0.00 3.20 -0.16 -1.31 116.97 116.13 1h31 h TYR 132 Ca 0.16 0.02 0.38 0.00 3.14 0.00 0.00 58.73 62.43 1h31 h TYR 132 Cb 0.41 0.48 -0.12 0.00 1.54 0.00 0.00 36.73 39.04 1h31 h TYR 132 CO -0.39 -0.53 0.78 -0.07 -1.64 0.00 0.00 178.16 176.31 1h31 h LEU 133 N -0.76 0.31 -0.47 2.82 3.38 0.17 0.68 115.31 121.44 1h31 h LEU 133 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1h31 h LEU 133 Cb 0.69 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1h31 h LEU 133 CO -0.11 -0.11 0.00 0.23 0.09 0.00 0.00 178.44 178.54 1h31 n MET 134 N -4.70 0.08 0.00 1.13 2.81 0.48 -1.34 117.12 115.58 1h31 n MET 134 Ca 0.33 0.43 0.13 0.00 -1.81 0.00 0.00 57.70 56.78 1h31 n MET 134 Cb 1.25 -1.69 0.37 0.00 -0.71 0.00 0.00 33.22 32.44 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 -1.85 0.00 -1.59 2.03 -2.24 0.24 -4.35 114.28 106.52 1h31 n THR 135 Ca 0.01 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1h31 n THR 135 Cb 0.12 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.94 7.57 -0.08 3.22 4.77 -0.45 -4.21 117.00 126.87 1h31 n LEU 136 Ca 0.10 -4.37 0.13 0.00 -0.03 0.00 0.00 56.01 51.84 1h31 n LEU 136 Cb 0.34 -1.40 0.38 0.00 -2.33 0.00 0.00 43.42 40.41 1h31 n LEU 136 CO 0.28 1.96 0.62 0.35 -1.33 0.00 0.00 177.39 179.27 1h31 n THR 137 N 2.14 0.00 -0.93 -5.08 -2.24 -1.26 -1.88 114.28 105.03 1h31 n THR 137 Ca 0.62 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1h31 n THR 137 Cb 0.39 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1h31 n THR 137 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17