#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oz1 s GLU 2 N 0.00 2.64 -0.35 0.00 2.02 -1.26 -2.47 118.70 119.27 2oz1 s GLU 2 Ca 0.00 -1.26 -0.11 0.00 0.02 0.00 0.00 54.97 53.62 2oz1 s GLU 2 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.86 2oz1 s GLU 2 CO 0.00 0.32 0.21 0.08 0.02 0.00 0.00 175.26 175.88 2oz1 s VAL 3 N -2.25 4.81 0.49 2.63 1.01 0.13 -4.97 120.40 122.24 2oz1 s VAL 3 Ca 0.34 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2oz1 s VAL 3 Cb -0.06 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 2oz1 s VAL 3 CO 0.23 -0.10 1.03 0.00 0.00 0.00 0.00 175.10 176.26 2oz1 n ALA 4 N 5.03 0.37 -0.31 5.51 0.00 -1.26 -4.78 120.51 125.07 2oz1 n ALA 4 Ca -0.13 0.15 0.26 0.00 0.00 0.00 0.00 53.44 53.73 2oz1 n ALA 4 Cb 0.48 -2.12 0.59 0.00 0.00 0.00 0.00 19.45 18.40 2oz1 n ALA 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2oz1 h PRO 5 N 1.24 0.25 0.00 0.00 0.11 -1.99 0.47 132.00 132.08 2oz1 h PRO 5 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2oz1 h PRO 5 Cb 1.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2oz1 h PRO 5 CO 0.55 0.16 0.00 0.78 -0.21 0.00 0.00 178.00 179.28 2oz1 h GLY 6 N 0.26 0.00 -0.64 -0.55 0.00 -1.90 -3.25 103.07 96.99 2oz1 h GLY 6 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2oz1 h GLY 6 CO -0.19 0.00 -0.44 1.22 0.00 0.00 0.00 176.54 177.13 2oz1 n ASP 7 N -2.41 1.53 -4.68 0.19 8.00 0.13 -4.98 116.55 114.33 2oz1 n ASP 7 Ca 0.04 -1.26 -0.45 0.00 0.71 0.00 0.00 54.79 53.83 2oz1 n ASP 7 Cb 0.37 0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 42.00 2oz1 n ASP 7 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2oz1 n VAL 8 N -0.34 0.48 -3.00 2.53 0.31 -1.07 -4.94 118.33 112.30 2oz1 n VAL 8 Ca 0.06 -0.09 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 2oz1 n VAL 8 Cb 0.34 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 2oz1 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oz1 s ALA 9 N 3.31 3.29 -0.09 3.52 0.00 -1.26 -5.04 121.76 125.50 2oz1 s ALA 9 Ca 0.87 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 2oz1 s ALA 9 Cb -0.58 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 2oz1 s ALA 9 CO 0.44 -1.99 -0.05 0.42 0.00 0.00 0.00 175.76 174.57 2oz1 s ILE 10 N 3.22 3.83 0.54 0.00 1.01 -1.26 -4.47 121.20 124.08 2oz1 s ILE 10 Ca 0.26 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2oz1 s ILE 10 Cb -0.14 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.78 2oz1 s ILE 10 CO 0.20 0.58 0.76 1.51 0.00 0.00 0.00 174.94 177.98 2oz1 s ASP 11 N -0.59 5.25 0.00 3.58 -4.77 -0.42 -4.94 116.67 114.78 2oz1 s ASP 11 Ca 0.09 -0.18 0.07 0.00 -3.30 0.00 0.00 52.55 49.23 2oz1 s ASP 11 Cb -0.12 -0.68 0.32 0.00 -1.09 0.00 0.00 42.92 41.35 2oz1 s ASP 11 CO 0.02 -1.15 1.13 0.61 0.70 0.00 0.00 175.17 176.48 2oz1 n GLY 12 N -2.28 -0.60 0.76 2.12 0.00 -1.26 -0.12 105.19 103.80 2oz1 n GLY 12 Ca 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.19 2oz1 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oz1 n GLN 13 N -1.38 1.82 -0.50 1.61 1.13 -1.26 -4.97 117.38 113.84 2oz1 n GLN 13 Ca 0.03 -1.58 0.00 0.00 -1.94 0.00 0.00 57.00 53.50 2oz1 n GLN 13 Cb 0.06 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.01 2oz1 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oz1 n GLY 14 N 1.21 0.74 3.77 1.08 0.00 0.83 -4.43 105.19 108.39 2oz1 n GLY 14 Ca 0.11 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2oz1 n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oz1 s HIS 15 N -2.00 3.92 -0.39 1.61 3.76 -1.25 -4.14 115.29 116.80 2oz1 s HIS 15 Ca 0.00 1.71 0.01 0.00 -0.15 0.00 0.00 55.06 56.63 2oz1 s HIS 15 Cb 0.00 -2.83 0.11 0.00 1.11 0.00 0.00 32.58 30.97 2oz1 s HIS 15 CO 0.00 0.49 0.14 0.08 -0.85 0.00 0.00 174.74 174.60 2oz1 s VAL 16 N -1.10 2.72 0.17 -0.90 1.01 0.64 -1.31 120.40 121.64 2oz1 s VAL 16 Ca 0.37 -2.38 -0.04 0.00 0.00 0.00 0.00 61.98 59.94 2oz1 s VAL 16 Cb -0.24 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 2oz1 s VAL 16 CO 0.28 -0.66 1.45 0.00 0.00 0.00 0.00 175.10 176.17 2oz1 h ALA 17 N 7.62 0.61 -2.71 5.51 0.00 -1.80 -3.40 119.26 125.10 2oz1 h ALA 17 Ca -0.07 -0.56 -0.51 0.00 0.00 0.00 0.00 54.91 53.77 2oz1 h ALA 17 Cb 1.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2oz1 h ALA 17 CO 0.60 0.71 0.26 1.03 0.00 0.00 0.00 179.25 181.86 2oz1 s ARG 18 N -3.83 4.68 0.75 0.00 0.52 -1.26 -4.87 118.95 114.95 2oz1 s ARG 18 Ca -0.07 1.30 -0.13 0.00 -0.52 0.00 0.00 55.73 56.31 2oz1 s ARG 18 Cb 0.11 -3.29 0.05 0.00 0.52 0.00 0.00 34.95 32.34 2oz1 s ARG 18 CO 0.85 0.48 1.15 -2.14 0.02 0.00 0.00 175.30 175.66 2oz1 s PRO 19 N -0.91 2.11 0.33 3.54 0.02 -1.26 -4.95 135.00 133.88 2oz1 s PRO 19 Ca 0.39 1.54 0.17 0.00 0.02 0.00 0.00 61.00 63.13 2oz1 s PRO 19 Cb -0.24 -1.85 0.18 0.00 0.02 0.00 0.00 34.50 32.61 2oz1 s PRO 19 CO 0.28 -1.81 1.51 -0.07 -0.33 0.00 0.00 177.00 176.58 2oz1 h LEU 20 N -0.63 0.00 -8.18 -5.54 3.38 -1.92 -3.45 115.31 98.97 2oz1 h LEU 20 Ca -0.46 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.31 2oz1 h LEU 20 Cb 1.27 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.83 2oz1 h LEU 20 CO 0.49 0.37 -0.71 0.28 0.09 0.00 0.00 178.44 178.97 2oz1 s THR 21 N -3.06 0.38 -1.42 0.22 -1.32 -1.26 0.20 115.64 109.37 2oz1 s THR 21 Ca 0.04 -1.35 0.26 0.00 -1.21 0.00 0.00 61.69 59.43 2oz1 s THR 21 Cb 0.07 -0.91 0.18 0.00 -1.51 0.00 0.00 72.50 70.33 2oz1 s THR 21 CO 0.72 -0.64 1.54 -0.90 -2.21 0.00 0.00 174.62 173.13 2oz1 n ASP 22 N 0.93 0.75 -4.72 8.08 5.68 -1.03 -4.79 116.55 121.44 2oz1 n ASP 22 Ca -0.19 -0.57 -0.42 0.00 -0.50 0.00 0.00 54.79 53.10 2oz1 n ASP 22 Cb 0.57 0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.67 2oz1 n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2oz1 s ALA 23 N -2.71 3.89 0.35 2.12 0.00 -1.26 -4.96 121.76 119.19 2oz1 s ALA 23 Ca 0.19 1.52 -0.28 0.00 0.00 0.00 0.00 51.96 53.39 2oz1 s ALA 23 Cb 0.19 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 2oz1 s ALA 23 CO 0.59 -0.88 1.42 -1.25 0.00 0.00 0.00 175.76 175.64 2oz1 s PRO 24 N 1.15 4.21 0.04 0.00 0.04 -1.26 -4.95 135.00 134.23 2oz1 s PRO 24 Ca 0.73 2.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.89 2oz1 s PRO 24 Cb -0.48 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 2oz1 s PRO 24 CO 0.32 -0.39 1.52 0.20 0.04 0.00 0.00 177.00 178.69 2oz1 s GLY 25 N -0.25 1.71 -0.33 0.56 0.00 -1.26 -4.91 107.32 102.83 2oz1 s GLY 25 Ca 0.52 1.05 -0.14 0.00 0.00 0.00 0.00 44.72 46.15 2oz1 s GLY 25 CO 0.58 2.69 0.33 -0.35 0.00 0.00 0.00 173.10 176.35 2oz1 s ASP 26 N 2.10 6.15 0.50 1.64 2.15 -1.26 -4.83 116.67 123.12 2oz1 s ASP 26 Ca 0.69 -0.24 0.29 0.00 0.43 0.00 0.00 52.55 53.72 2oz1 s ASP 26 Cb -0.36 -2.18 1.16 0.00 -0.30 0.00 0.00 42.92 41.24 2oz1 s ASP 26 CO 0.29 -0.30 1.91 -0.65 -0.17 0.00 0.00 175.17 176.26 2oz1 h PRO 27 N 8.45 0.00 0.00 4.34 0.11 -1.83 -2.43 132.00 140.64 2oz1 h PRO 27 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 2oz1 h PRO 27 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2oz1 h PRO 27 CO 0.67 0.10 -0.00 0.28 -0.21 0.00 0.00 178.00 178.84 2oz1 h VAL 28 N 0.00 1.68 -0.35 3.15 2.07 -1.93 -2.18 116.25 118.69 2oz1 h VAL 28 Ca -0.00 -2.25 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 2oz1 h VAL 28 Cb 0.61 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 2oz1 h VAL 28 CO 0.01 0.57 0.16 -0.08 0.02 0.00 0.00 177.57 178.25 2oz1 h GLU 29 N -0.99 0.49 -0.36 1.57 4.57 -1.92 -2.55 114.58 115.39 2oz1 h GLU 29 Ca -0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2oz1 h GLU 29 Cb 0.93 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2oz1 h GLU 29 CO 0.00 0.39 0.10 0.78 -1.18 0.00 0.00 179.01 179.09 2oz1 h GLY 30 N 0.61 0.62 0.96 1.92 0.00 -1.50 -1.04 103.07 104.64 2oz1 h GLY 30 Ca 0.12 -0.38 0.13 0.00 0.00 0.00 0.00 47.33 47.20 2oz1 h GLY 30 CO -0.02 0.35 0.40 -0.09 0.00 0.00 0.00 176.54 177.19 2oz1 h ARG 31 N 0.44 0.24 -0.10 4.80 1.12 -1.20 -2.02 114.38 117.66 2oz1 h ARG 31 Ca 0.12 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.90 2oz1 h ARG 31 Cb 0.29 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 2oz1 h ARG 31 CO -0.00 0.16 -0.23 -0.09 -3.11 0.00 0.00 179.97 176.70 2oz1 h ARG 32 N 0.25 0.33 0.00 0.20 2.43 -0.99 -3.30 114.38 113.30 2oz1 h ARG 32 Ca 0.28 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2oz1 h ARG 32 Cb 0.76 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2oz1 h ARG 32 CO -0.06 0.83 0.00 1.28 -1.51 0.00 0.00 179.97 180.51 2oz1 n LEU 33 N -4.50 0.00 0.11 3.80 4.77 -0.45 -3.54 117.00 117.20 2oz1 n LEU 33 Ca -0.07 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 2oz1 n LEU 33 Cb 0.43 -0.19 0.17 0.00 -2.33 0.00 0.00 43.42 41.50 2oz1 n LEU 33 CO 0.40 -0.08 0.53 0.24 -1.33 0.00 0.00 177.39 177.15 2oz1 h MET 34 N 0.00 0.15 -0.02 3.23 2.86 -1.62 -3.35 114.93 116.18 2oz1 h MET 34 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2oz1 h MET 34 Cb 0.11 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2oz1 h MET 34 CO 0.00 0.67 -0.29 0.25 1.06 0.00 0.00 176.91 178.60 2oz1 n THR 35 N -3.89 0.00 -3.07 2.22 -2.24 -1.23 -1.93 114.28 104.13 2oz1 n THR 35 Ca -0.02 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 2oz1 n THR 35 Cb 0.58 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 70.02 2oz1 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oz1 s ASP 36 N -2.30 6.57 0.35 3.42 -1.08 -1.26 -4.87 116.67 117.51 2oz1 s ASP 36 Ca 0.23 0.60 0.06 0.00 -0.52 0.00 0.00 52.55 52.91 2oz1 s ASP 36 Cb 0.19 -2.35 0.73 0.00 -1.46 0.00 0.00 42.92 40.02 2oz1 s ASP 36 CO 0.47 -0.47 1.94 -0.09 0.52 0.00 0.00 175.17 177.54 2oz1 h ARG 37 N 8.04 0.76 -0.01 4.34 2.43 -1.93 0.45 114.38 128.46 2oz1 h ARG 37 Ca -0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2oz1 h ARG 37 Cb 1.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2oz1 h ARG 37 CO 0.81 0.50 -0.00 -1.13 -1.51 0.00 0.00 179.97 178.64 2oz1 n SER 38 N -4.49 0.59 0.00 -3.80 3.41 -1.26 -4.12 113.62 103.95 2oz1 n SER 38 Ca 0.12 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 2oz1 n SER 38 Cb 0.26 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2oz1 n SER 38 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2oz1 n VAL 39 N -0.55 0.00 -0.08 -3.33 0.31 -0.99 -5.01 118.33 108.69 2oz1 n VAL 39 Ca 0.22 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 2oz1 n VAL 39 Cb 0.21 -0.15 -0.14 0.00 -0.91 0.00 0.00 33.84 32.85 2oz1 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oz1 n GLY 40 N 4.46 -0.74 3.32 2.92 0.00 -1.05 -4.70 105.19 109.40 2oz1 n GLY 40 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2oz1 n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2oz1 n ASN 41 N -3.07 -4.29 -0.34 1.61 5.15 0.11 -4.91 115.26 109.52 2oz1 n ASN 41 Ca -0.34 -0.39 -0.02 0.00 -0.60 0.00 0.00 54.58 53.24 2oz1 n ASN 41 Cb 1.07 -3.52 0.13 0.00 -0.53 0.00 0.00 39.78 36.93 2oz1 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2oz1 h ILE 43 N 1.28 0.91 0.00 0.00 -0.00 -1.73 -0.87 117.51 117.10 2oz1 h ILE 43 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 65.19 2oz1 h ILE 43 Cb -0.10 0.96 -0.00 0.00 -0.00 0.00 0.00 36.82 37.68 2oz1 h ILE 43 CO -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 178.15 178.04 2oz1 h ALA 44 N 1.96 1.35 0.00 0.16 0.00 -1.75 0.43 119.26 121.41 2oz1 h ALA 44 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2oz1 h ALA 44 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2oz1 h ALA 44 CO -0.00 0.05 -0.97 0.00 0.00 0.00 0.00 179.25 178.32 2oz1 s HIS 46 N -1.96 2.40 0.02 0.00 3.76 -0.37 -0.78 115.29 118.36 2oz1 s HIS 46 Ca 0.00 -0.45 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 2oz1 s HIS 46 Cb 0.00 -1.53 -0.06 0.00 1.11 0.00 0.00 32.58 32.10 2oz1 s HIS 46 CO 0.00 -0.04 0.43 -1.21 -0.85 0.00 0.00 174.74 173.07 2oz1 s GLU 47 N -0.55 3.93 -0.29 1.40 2.02 -1.24 -4.07 118.70 119.90 2oz1 s GLU 47 Ca 0.08 0.42 -0.03 0.00 0.02 0.00 0.00 54.97 55.46 2oz1 s GLU 47 Cb -0.11 -3.18 0.11 0.00 0.10 0.00 0.00 34.13 31.05 2oz1 s GLU 47 CO -0.00 0.66 0.18 0.08 0.02 0.00 0.00 175.26 176.20 2oz1 s VAL 48 N -1.14 -0.17 0.47 2.63 1.01 -1.26 -0.65 120.40 121.29 2oz1 s VAL 48 Ca 0.26 -0.67 0.37 0.00 0.00 0.00 0.00 61.98 61.94 2oz1 s VAL 48 Cb -0.17 -0.97 0.39 0.00 0.00 0.00 0.00 36.38 35.64 2oz1 s VAL 48 CO 0.15 -0.64 2.20 0.71 0.00 0.00 0.00 175.10 177.52 2oz1 h THR 49 N 6.37 0.17 0.00 3.92 1.35 -1.97 -1.10 112.91 121.64 2oz1 h THR 49 Ca -0.18 -0.24 -0.06 0.00 -0.55 0.00 0.00 66.41 65.38 2oz1 h THR 49 Cb 1.03 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 2oz1 h THR 49 CO 0.41 0.03 -0.28 -0.08 -0.25 0.00 0.00 175.52 175.34 2oz1 h GLU 50 N 0.00 0.00 -2.60 4.72 4.22 -2.01 -3.17 114.58 115.73 2oz1 h GLU 50 Ca -0.00 0.00 -0.75 0.00 0.08 0.00 0.00 59.36 58.69 2oz1 h GLU 50 Cb 0.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.31 2oz1 h GLU 50 CO 0.00 0.28 2.24 -1.33 -2.18 0.00 0.00 179.01 178.02 2oz1 n MET 51 N -3.99 4.68 0.04 1.92 2.81 -0.42 -4.81 117.12 117.35 2oz1 n MET 51 Ca -0.02 -3.62 0.03 0.00 -1.81 0.00 0.00 57.70 52.28 2oz1 n MET 51 Cb 0.35 -2.62 0.14 0.00 -0.71 0.00 0.00 33.22 30.37 2oz1 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2oz1 n ALA 52 N 1.57 1.00 -0.07 3.04 0.00 -1.20 -2.01 120.51 122.83 2oz1 n ALA 52 Ca 0.60 0.05 0.10 0.00 0.00 0.00 0.00 53.44 54.19 2oz1 n ALA 52 Cb 0.25 -1.06 0.29 0.00 0.00 0.00 0.00 19.45 18.93 2oz1 n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2oz1 n ASP 53 N -1.67 3.50 -4.50 0.00 9.92 -1.26 -4.78 116.55 117.76 2oz1 n ASP 53 Ca -0.00 -2.02 -0.34 0.00 -0.53 0.00 0.00 54.79 51.89 2oz1 n ASP 53 Cb 0.02 -0.44 -0.12 0.00 -0.64 0.00 0.00 41.12 39.94 2oz1 n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2oz1 s ALA 54 N -1.17 3.10 0.00 2.24 0.00 -0.85 -5.03 121.76 120.05 2oz1 s ALA 54 Ca 0.43 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2oz1 s ALA 54 Cb 0.23 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2oz1 s ALA 54 CO 0.29 0.05 0.00 1.04 0.00 0.00 0.00 175.76 177.14 2oz1 n GLN 55 N 3.84 0.00 -3.45 0.00 1.13 -1.26 -4.58 117.38 113.05 2oz1 n GLN 55 Ca -0.17 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.70 2oz1 n GLN 55 Cb 0.52 -0.28 0.03 0.00 0.11 0.00 0.00 30.24 30.62 2oz1 n GLN 55 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2oz1 n PHE 56 N -0.21 -2.31 -2.14 1.08 3.01 -1.26 -4.97 117.46 110.67 2oz1 n PHE 56 Ca 0.00 0.76 -0.39 0.00 1.01 0.00 0.00 57.45 58.82 2oz1 n PHE 56 Cb 0.08 -3.65 -0.01 0.00 -0.01 0.00 0.00 39.48 35.88 2oz1 n PHE 56 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2oz1 s PRO 57 N -4.77 4.09 0.79 -1.08 0.04 -1.26 -4.81 135.00 128.00 2oz1 s PRO 57 Ca 0.29 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 2oz1 s PRO 57 Cb -0.08 -2.81 0.07 0.00 0.04 0.00 0.00 34.50 31.71 2oz1 s PRO 57 CO 0.81 -0.37 1.16 0.20 0.04 0.00 0.00 177.00 178.85 2oz1 s GLY 58 N -0.79 1.60 -0.05 0.56 0.00 0.15 -4.87 107.32 103.92 2oz1 s GLY 58 Ca 0.55 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.78 2oz1 s GLY 58 CO 0.47 -0.10 1.02 -1.30 0.00 0.00 0.00 173.10 173.18 2oz1 n THR 59 N -3.26 1.20 -0.03 0.90 -2.24 -1.22 -3.55 114.28 106.08 2oz1 n THR 59 Ca 0.08 -1.35 -0.14 0.00 -2.27 0.00 0.00 64.05 60.37 2oz1 n THR 59 Cb 0.60 0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 2oz1 n THR 59 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2oz1 h VAL 60 N 0.67 1.43 -3.18 2.28 2.07 -1.78 -3.45 116.25 114.29 2oz1 h VAL 60 Ca 0.00 -1.54 -0.46 0.00 0.82 0.00 0.00 66.70 65.51 2oz1 h VAL 60 Cb 0.79 2.29 0.04 0.00 -1.52 0.00 0.00 31.29 32.89 2oz1 h VAL 60 CO 0.00 0.43 0.04 -0.83 0.02 0.00 0.00 177.57 177.24 2oz1 s GLY 61 N -3.59 1.61 0.61 2.17 0.00 0.04 -5.05 107.32 103.11 2oz1 s GLY 61 Ca -0.15 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 2oz1 s GLY 61 CO 0.74 -0.67 1.06 2.56 0.00 0.00 0.00 173.10 176.78 2oz1 s PRO 62 N -4.79 3.27 0.27 2.90 0.04 -1.26 -4.59 135.00 130.82 2oz1 s PRO 62 Ca 0.52 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 2oz1 s PRO 62 Cb -0.10 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 2oz1 s PRO 62 CO 0.41 -0.85 1.12 0.45 0.04 0.00 0.00 177.00 178.17 2oz1 n SER 63 N -2.20 1.64 -0.44 6.66 2.88 -1.26 -4.34 113.62 116.57 2oz1 n SER 63 Ca 0.08 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 2oz1 n SER 63 Cb 0.53 -1.31 0.51 0.00 -0.75 0.00 0.00 64.21 63.18 2oz1 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2oz1 n LEU 64 N 1.45 1.35 -4.64 2.46 4.77 0.17 -4.91 117.00 117.65 2oz1 n LEU 64 Ca 0.10 -0.50 -0.48 0.00 -0.03 0.00 0.00 56.01 55.10 2oz1 n LEU 64 Cb 0.31 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2oz1 n LEU 64 CO 0.61 0.25 1.05 0.47 -1.33 0.00 0.00 177.39 178.44 2oz1 n ASP 65 N 0.08 2.51 0.00 -1.43 8.00 -1.26 -2.34 116.55 122.11 2oz1 n ASP 65 Ca 0.18 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.79 2oz1 n ASP 65 Cb 0.31 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2oz1 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oz1 n GLY 66 N 2.86 0.54 0.22 0.44 0.00 -1.05 -4.91 105.19 103.30 2oz1 n GLY 66 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2oz1 n GLY 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2oz1 h VAL 67 N 0.00 1.22 0.00 1.61 3.04 -1.11 -0.11 116.25 120.90 2oz1 h VAL 67 Ca 0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2oz1 h VAL 67 Cb 0.10 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2oz1 h VAL 67 CO 0.00 0.31 0.00 0.00 -1.01 0.00 0.00 177.57 176.87 2oz1 n ALA 68 N -2.48 2.05 0.04 3.17 0.00 -0.02 -0.91 120.51 122.35 2oz1 n ALA 68 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2oz1 n ALA 68 Cb 0.33 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 2oz1 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oz1 n ALA 69 N -1.70 2.32 -0.09 0.00 0.00 -0.12 -4.36 120.51 116.56 2oz1 n ALA 69 Ca 0.05 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 2oz1 n ALA 69 Cb 0.33 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 2oz1 n ALA 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2oz1 n ARG 70 N -2.65 0.68 -4.87 0.00 1.85 -0.78 -4.99 116.66 105.90 2oz1 n ARG 70 Ca -0.07 0.08 -0.33 0.00 -1.00 0.00 0.00 57.85 56.53 2oz1 n ARG 70 Cb 0.70 -1.56 -0.13 0.00 -1.05 0.00 0.00 32.46 30.41 2oz1 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2oz1 s TYR 71 N -2.51 2.72 0.71 2.89 2.02 -0.09 -5.11 117.35 117.98 2oz1 s TYR 71 Ca -0.16 -0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 2oz1 s TYR 71 Cb 0.07 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.97 2oz1 s TYR 71 CO 0.77 0.08 1.08 -1.25 -1.57 0.00 0.00 175.55 174.66 2oz1 s PRO 72 N -0.45 2.69 0.33 -1.71 0.04 -1.26 -4.52 135.00 130.12 2oz1 s PRO 72 Ca 0.05 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.29 2oz1 s PRO 72 Cb -0.12 -1.95 0.66 0.00 0.04 0.00 0.00 34.50 33.12 2oz1 s PRO 72 CO 0.02 -1.31 1.90 1.49 0.04 0.00 0.00 177.00 179.14 2oz1 h GLU 73 N -0.59 0.85 -0.34 4.56 4.81 -1.97 -1.00 114.58 120.90 2oz1 h GLU 73 Ca -0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2oz1 h GLU 73 Cb 1.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2oz1 h GLU 73 CO 0.54 0.56 0.14 0.00 -0.73 0.00 0.00 179.01 179.52 2oz1 h ALA 74 N 1.56 1.60 0.02 2.92 0.00 -1.90 -0.13 119.26 123.32 2oz1 h ALA 74 Ca 0.40 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2oz1 h ALA 74 Cb 0.38 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2oz1 h ALA 74 CO -0.17 0.32 -0.49 1.98 0.00 0.00 0.00 179.25 180.89 2oz1 h MET 75 N 0.48 0.31 -0.48 0.00 1.85 -1.51 0.21 114.93 115.79 2oz1 h MET 75 Ca 0.12 -0.35 0.05 0.00 -0.61 0.00 0.00 59.70 58.91 2oz1 h MET 75 Cb 0.10 0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.19 2oz1 h MET 75 CO -0.01 1.06 0.21 0.82 -0.40 0.00 0.00 176.91 178.58 2oz1 h ILE 76 N -0.29 0.90 -0.39 1.77 2.04 -1.10 0.14 117.51 120.59 2oz1 h ILE 76 Ca -0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2oz1 h ILE 76 Cb 1.24 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2oz1 h ILE 76 CO 0.10 0.08 0.25 -0.09 0.00 0.00 0.00 178.15 178.49 2oz1 h ARG 77 N 0.41 0.50 -0.95 2.37 2.43 -1.10 -2.24 114.38 115.81 2oz1 h ARG 77 Ca 0.22 -0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.57 2oz1 h ARG 77 Cb 0.18 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.50 2oz1 h ARG 77 CO -0.19 0.33 0.52 0.78 -1.51 0.00 0.00 179.97 179.91 2oz1 h GLY 78 N 0.52 1.72 1.75 2.80 0.00 -0.58 -0.60 103.07 108.68 2oz1 h GLY 78 Ca 0.14 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2oz1 h GLY 78 CO -0.03 -0.19 -0.30 -2.22 0.00 0.00 0.00 176.54 173.80 2oz1 h ILE 79 N 0.57 1.27 0.00 2.60 2.04 -0.39 -2.43 117.51 121.17 2oz1 h ILE 79 Ca 0.59 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 2oz1 h ILE 79 Cb 1.04 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 2oz1 h ILE 79 CO -0.46 0.39 -0.80 -0.07 0.00 0.00 0.00 178.15 177.21 2oz1 h LEU 80 N 0.26 0.00 0.29 1.44 3.38 -1.05 -2.81 115.31 116.82 2oz1 h LEU 80 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2oz1 h LEU 80 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2oz1 h LEU 80 CO 0.05 0.21 -0.14 0.58 0.09 0.00 0.00 178.44 179.23 2oz1 h VAL 81 N 0.00 0.47 -1.12 1.22 2.07 -1.04 -2.97 116.25 114.88 2oz1 h VAL 81 Ca -0.04 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2oz1 h VAL 81 Cb 1.19 0.77 -0.21 0.00 -1.52 0.00 0.00 31.29 31.52 2oz1 h VAL 81 CO 0.02 0.11 -0.45 0.21 0.02 0.00 0.00 177.57 177.48 2oz1 s ASN 82 N -5.18 -1.23 0.56 0.57 2.47 -0.92 -1.56 114.94 109.65 2oz1 s ASN 82 Ca -0.11 -0.48 0.26 0.00 0.42 0.00 0.00 52.86 52.96 2oz1 s ASN 82 Cb 0.01 1.83 1.51 0.00 -1.45 0.00 0.00 41.25 43.14 2oz1 s ASN 82 CO 0.39 -0.24 2.05 0.77 -3.72 0.00 0.00 177.10 176.35 2oz1 h SER 83 N 7.44 0.00 0.53 -4.21 4.64 -1.62 -0.88 113.55 119.44 2oz1 h SER 83 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2oz1 h SER 83 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2oz1 h SER 83 CO 0.14 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 176.13 2oz1 h LYS 84 N 0.00 0.00 0.00 4.77 6.56 -1.87 0.43 116.57 126.46 2oz1 h LYS 84 Ca 0.15 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.67 2oz1 h LYS 84 Cb 0.68 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.33 2oz1 h LYS 84 CO -0.00 0.07 -0.34 -0.91 -2.06 0.00 0.00 179.45 176.21 2oz1 h ASN 85 N 0.00 0.00 0.00 0.86 2.35 -1.49 -3.13 115.58 114.17 2oz1 h ASN 85 Ca -0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 2oz1 h ASN 85 Cb 0.36 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 2oz1 h ASN 85 CO 0.01 0.34 -2.38 0.52 -1.65 0.00 0.00 177.43 174.26 2oz1 n VAL 86 N -3.78 1.38 -3.88 2.81 0.31 -0.68 -4.15 118.33 110.34 2oz1 n VAL 86 Ca -0.01 -0.48 -0.30 0.00 -0.01 0.00 0.00 64.34 63.54 2oz1 n VAL 86 Cb 0.42 -1.49 -0.14 0.00 -0.91 0.00 0.00 33.84 31.72 2oz1 n VAL 86 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2oz1 s PHE 87 N -2.48 2.86 0.41 3.52 0.40 0.14 -5.07 117.98 117.77 2oz1 s PHE 87 Ca -0.33 -2.82 -0.26 0.00 -0.60 0.00 0.00 56.93 52.91 2oz1 s PHE 87 Cb 0.10 -2.50 -0.09 0.00 0.51 0.00 0.00 43.02 41.04 2oz1 s PHE 87 CO 0.52 -0.81 1.35 -2.14 0.70 0.00 0.00 175.22 174.84 2oz1 s PRO 88 N 0.28 3.91 -1.40 0.24 0.02 -1.18 -2.02 135.00 134.85 2oz1 s PRO 88 Ca 0.15 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2oz1 s PRO 88 Cb -0.23 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.54 2oz1 s PRO 88 CO -0.04 -0.58 0.00 0.39 -0.33 0.00 0.00 177.00 176.45 2oz1 n GLU 89 N 0.07 -1.31 -1.95 5.54 1.02 -1.26 -4.99 120.64 117.77 2oz1 n GLU 89 Ca 0.04 0.94 -0.40 0.00 -0.02 0.00 0.00 57.16 57.72 2oz1 n GLU 89 Cb 0.43 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 2oz1 n GLU 89 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2oz1 s THR 90 N -2.29 2.40 -0.85 2.62 -1.32 -0.86 -4.92 115.64 110.42 2oz1 s THR 90 Ca 0.00 0.36 0.27 0.00 -1.21 0.00 0.00 61.69 61.11 2oz1 s THR 90 Cb 0.00 -3.21 0.26 0.00 -1.51 0.00 0.00 72.50 68.04 2oz1 s THR 90 CO 0.00 0.05 1.84 1.33 -2.21 0.00 0.00 174.62 175.63 2oz1 n VAL 91 N 0.03 0.35 -1.88 5.08 0.24 -1.26 -4.81 118.33 116.07 2oz1 n VAL 91 Ca 0.04 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 2oz1 n VAL 91 Cb 0.43 -0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 2oz1 n VAL 91 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2oz1 s MET 92 N -3.06 4.19 0.86 7.34 -2.45 -1.26 -4.98 119.30 119.93 2oz1 s MET 92 Ca 0.12 2.39 -0.12 0.00 -1.25 0.00 0.00 55.69 56.83 2oz1 s MET 92 Cb 0.15 -3.49 0.09 0.00 1.25 0.00 0.00 34.83 32.83 2oz1 s MET 92 CO 0.56 -0.73 1.06 -2.30 1.05 0.00 0.00 175.02 174.66 2oz1 n PRO 93 N 5.24 -0.09 -3.41 4.11 -0.02 -1.26 -4.77 135.00 134.80 2oz1 n PRO 93 Ca 0.16 0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 61.24 2oz1 n PRO 93 Cb 0.39 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 2oz1 n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oz1 s ALA 94 N -2.32 3.54 -1.49 3.55 0.00 -1.26 -4.47 121.76 119.31 2oz1 s ALA 94 Ca 0.69 -2.05 0.29 0.00 0.00 0.00 0.00 51.96 50.89 2oz1 s ALA 94 Cb -0.26 -3.03 1.20 0.00 0.00 0.00 0.00 23.12 21.03 2oz1 s ALA 94 CO 0.55 -1.68 1.85 0.66 0.00 0.00 0.00 175.76 177.14 2oz1 n TYR 95 N 5.19 0.00 -2.44 0.00 4.02 -1.13 -3.67 117.16 119.13 2oz1 n TYR 95 Ca -0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.75 2oz1 n TYR 95 Cb 0.44 -0.24 0.06 0.00 -0.02 0.00 0.00 39.34 39.58 2oz1 n TYR 95 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2oz1 n TYR 96 N -1.11 0.96 -4.46 -0.72 9.36 -0.60 -1.85 117.16 118.74 2oz1 n TYR 96 Ca 0.13 -1.57 -0.34 0.00 3.32 0.00 0.00 57.90 59.44 2oz1 n TYR 96 Cb 0.28 -0.23 -0.10 0.00 -0.63 0.00 0.00 39.34 38.67 2oz1 n TYR 96 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2oz1 s ARG 97 N -2.54 2.84 0.00 2.98 1.81 -1.24 -4.72 118.95 118.08 2oz1 s ARG 97 Ca 0.34 -0.51 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 2oz1 s ARG 97 Cb 0.36 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 2oz1 s ARG 97 CO -0.07 0.67 0.93 1.33 -0.68 0.00 0.00 175.30 177.48 2oz1 n VAL 98 N 2.02 0.86 -3.76 3.52 0.24 -1.26 -4.53 118.33 115.41 2oz1 n VAL 98 Ca -0.18 -0.86 -0.09 0.00 -2.04 0.00 0.00 64.34 61.17 2oz1 n VAL 98 Cb 0.53 0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 2oz1 n VAL 98 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2oz1 s GLU 99 N -0.86 1.42 0.00 7.34 -1.05 -1.26 -4.63 118.70 119.66 2oz1 s GLU 99 Ca 0.00 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 2oz1 s GLU 99 Cb 0.00 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 2oz1 s GLU 99 CO 0.00 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 176.01 2oz1 n GLY 100 N -0.35 0.65 3.97 -3.83 0.00 -1.26 -5.07 105.19 99.30 2oz1 n GLY 100 Ca -0.09 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 2oz1 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oz1 s PHE 101 N -2.00 2.40 -0.26 1.61 0.40 -1.26 -5.09 117.98 113.77 2oz1 s PHE 101 Ca 0.00 -0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2oz1 s PHE 101 Cb 0.00 -2.93 0.08 0.00 0.51 0.00 0.00 43.02 40.68 2oz1 s PHE 101 CO 0.00 -1.29 0.05 1.21 0.70 0.00 0.00 175.22 175.89 2oz1 s ASN 102 N -4.56 3.68 -1.04 1.36 3.84 -1.26 -4.84 114.94 112.13 2oz1 s ASN 102 Ca 0.61 -1.33 -0.02 0.00 0.21 0.00 0.00 52.86 52.33 2oz1 s ASN 102 Cb -0.09 -0.86 0.00 0.00 -0.55 0.00 0.00 41.25 39.76 2oz1 s ASN 102 CO 0.42 -0.35 0.88 0.54 -2.79 0.00 0.00 177.10 175.80 2oz1 n ARG 103 N 4.86 -5.85 -2.28 0.43 1.74 -1.26 -4.98 116.66 109.31 2oz1 n ARG 103 Ca -0.06 0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 2oz1 n ARG 103 Cb 0.44 -5.30 -0.03 0.00 -1.02 0.00 0.00 32.46 26.55 2oz1 n ARG 103 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2oz1 s PRO 104 N -5.43 4.46 0.33 5.56 0.04 -1.26 -5.02 135.00 133.68 2oz1 s PRO 104 Ca 0.15 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.28 2oz1 s PRO 104 Cb -0.07 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2oz1 s PRO 104 CO 0.61 -0.08 0.11 0.20 0.04 0.00 0.00 177.00 177.87 2oz1 s GLY 105 N -0.26 1.91 -0.40 0.56 0.00 -1.26 -2.96 107.32 104.91 2oz1 s GLY 105 Ca 0.51 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 2oz1 s GLY 105 CO 0.43 -1.76 1.42 -0.42 0.00 0.00 0.00 173.10 172.77 2oz1 s ILE 106 N -2.42 3.90 0.00 0.90 1.01 0.12 -4.73 121.20 119.98 2oz1 s ILE 106 Ca 0.36 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2oz1 s ILE 106 Cb -0.03 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2oz1 s ILE 106 CO 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 174.94 174.44 2oz1 n ALA 107 N 8.78 0.00 -1.65 9.38 0.00 -1.26 -1.65 120.51 134.11 2oz1 n ALA 107 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 2oz1 n ALA 107 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.02 2oz1 n ALA 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2oz1 n PHE 108 N 14.00 2.37 0.87 0.00 3.01 -1.26 -4.63 117.46 131.82 2oz1 n PHE 108 Ca 0.00 -2.24 0.11 0.00 1.01 0.00 0.00 57.45 56.33 2oz1 n PHE 108 Cb 0.00 -0.70 0.08 0.00 -0.01 0.00 0.00 39.48 38.85 2oz1 n PHE 108 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2oz1 n THR 109 N -0.91 0.05 -0.84 4.37 -2.24 -0.66 -4.97 114.28 109.08 2oz1 n THR 109 Ca 0.46 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2oz1 n THR 109 Cb 0.93 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2oz1 n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2oz1 n SER 110 N -1.64 -0.54 -4.84 3.42 7.64 -1.26 -5.01 113.62 111.39 2oz1 n SER 110 Ca 0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.54 2oz1 n SER 110 Cb 0.36 -1.01 -0.06 0.00 -1.01 0.00 0.00 64.21 62.50 2oz1 n SER 110 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2oz1 s LYS 111 N -0.41 3.84 0.40 1.43 1.02 -1.26 -4.94 119.74 119.81 2oz1 s LYS 111 Ca 0.00 0.32 -0.26 0.00 0.02 0.00 0.00 55.97 56.06 2oz1 s LYS 111 Cb 0.00 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2oz1 s LYS 111 CO 0.00 0.71 1.25 -1.25 -0.92 0.00 0.00 175.35 175.13 2oz1 s PRO 112 N -1.08 4.02 0.23 -1.68 0.04 -1.26 0.10 135.00 135.38 2oz1 s PRO 112 Ca 0.22 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 2oz1 s PRO 112 Cb -0.16 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.54 2oz1 s PRO 112 CO 0.12 -0.40 1.43 0.42 0.04 0.00 0.00 177.00 178.61 2oz1 s ILE 113 N -1.31 2.74 -0.06 0.56 1.01 -1.16 -4.64 121.20 118.35 2oz1 s ILE 113 Ca 0.56 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.87 2oz1 s ILE 113 Cb -0.35 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2oz1 s ILE 113 CO 0.45 0.09 -0.21 -1.61 0.00 0.00 0.00 174.94 173.66 2oz1 s GLU 114 N -0.19 2.25 2.15 2.79 2.02 -1.26 -5.04 118.70 121.41 2oz1 s GLU 114 Ca 0.60 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2oz1 s GLU 114 Cb -0.41 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2oz1 s GLU 114 CO 0.41 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.37 2oz1 n GLY 115 N 3.18 -1.10 3.68 -1.39 0.00 -1.26 -4.91 105.19 103.39 2oz1 n GLY 115 Ca -0.18 -1.31 -0.46 0.00 0.00 0.00 0.00 46.02 44.07 2oz1 n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2oz1 n GLU 116 N 0.00 2.24 -2.66 1.61 2.13 -1.26 -4.97 120.64 117.73 2oz1 n GLU 116 Ca 0.00 0.81 -0.43 0.00 0.66 0.00 0.00 57.16 58.21 2oz1 n GLU 116 Cb 0.00 -2.62 -0.02 0.00 0.27 0.00 0.00 31.44 29.06 2oz1 n GLU 116 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2oz1 s ILE 117 N 2.14 4.71 0.08 6.31 1.01 -1.26 -5.05 121.20 129.14 2oz1 s ILE 117 Ca 0.84 2.01 -0.10 0.00 0.00 0.00 0.00 60.65 63.40 2oz1 s ILE 117 Cb -0.66 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.46 2oz1 s ILE 117 CO 0.42 -0.08 0.40 -0.13 0.00 0.00 0.00 174.94 175.55 2oz1 s ARG 118 N 2.58 3.76 0.82 2.79 0.52 -1.26 -4.82 118.95 123.33 2oz1 s ARG 118 Ca 0.47 0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 55.73 2oz1 s ARG 118 Cb -0.17 -3.00 0.09 0.00 0.52 0.00 0.00 34.95 32.39 2oz1 s ARG 118 CO 0.13 0.56 1.17 -1.25 0.02 0.00 0.00 175.30 175.93 2oz1 s PRO 119 N -1.90 1.63 0.16 3.54 0.04 -1.26 -4.92 135.00 132.28 2oz1 s PRO 119 Ca 0.33 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 2oz1 s PRO 119 Cb -0.14 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.68 2oz1 s PRO 119 CO 0.18 -2.19 1.73 -0.07 0.04 0.00 0.00 177.00 176.69 2oz1 h LEU 120 N -1.09 0.02 -9.16 -3.56 3.38 -1.75 -3.42 115.31 99.73 2oz1 h LEU 120 Ca -0.45 0.06 -0.65 0.00 0.09 0.00 0.00 57.88 56.92 2oz1 h LEU 120 Cb 1.28 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.93 2oz1 h LEU 120 CO 0.46 0.05 -0.78 -0.04 0.09 0.00 0.00 178.44 178.22 2oz1 s MET 121 N -6.17 1.80 0.71 1.13 -1.94 -0.77 -4.86 119.30 109.20 2oz1 s MET 121 Ca -0.13 -1.32 -0.11 0.00 -1.71 0.00 0.00 55.69 52.42 2oz1 s MET 121 Cb 0.12 -2.05 0.03 0.00 2.01 0.00 0.00 34.83 34.95 2oz1 s MET 121 CO 0.71 0.44 1.09 0.95 -0.01 0.00 0.00 175.02 178.19 2oz1 s THR 122 N -1.50 3.14 0.22 2.05 -4.23 -1.26 -4.69 115.64 109.36 2oz1 s THR 122 Ca 0.21 0.28 -0.07 0.00 -1.18 0.00 0.00 61.69 60.93 2oz1 s THR 122 Cb -0.09 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 70.58 2oz1 s THR 122 CO 0.12 -0.45 1.74 0.00 -0.54 0.00 0.00 174.62 175.49 2oz1 h ALA 123 N -0.68 0.90 -0.13 3.99 0.00 -1.93 -1.29 119.26 120.13 2oz1 h ALA 123 Ca -0.45 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2oz1 h ALA 123 Cb 1.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2oz1 h ALA 123 CO 0.64 -0.19 0.05 0.78 0.00 0.00 0.00 179.25 180.52 2oz1 h GLY 124 N 0.43 0.21 0.56 0.00 0.00 -1.93 -2.27 103.07 100.06 2oz1 h GLY 124 Ca 0.35 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.63 2oz1 h GLY 124 CO -0.35 0.11 0.14 1.46 0.00 0.00 0.00 176.54 177.90 2oz1 h GLN 125 N 0.04 0.29 -0.64 4.80 4.20 -1.89 -1.67 115.11 120.23 2oz1 h GLN 125 Ca 0.04 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2oz1 h GLN 125 Cb 0.19 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2oz1 h GLN 125 CO -0.00 0.19 0.22 0.82 -0.67 0.00 0.00 178.83 179.39 2oz1 h ILE 126 N 0.30 1.24 -0.21 2.54 2.04 -1.16 -1.81 117.51 120.44 2oz1 h ILE 126 Ca 0.21 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2oz1 h ILE 126 Cb 0.22 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2oz1 h ILE 126 CO -0.23 0.32 -0.07 -0.33 0.00 0.00 0.00 178.15 177.83 2oz1 h GLU 127 N 0.92 0.33 -0.12 2.37 4.39 -1.24 0.24 114.58 121.47 2oz1 h GLU 127 Ca 0.21 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 2oz1 h GLU 127 Cb 0.26 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2oz1 h GLU 127 CO -0.01 0.42 -0.11 -0.44 -1.16 0.00 0.00 179.01 177.71 2oz1 h ASP 128 N 0.32 0.30 -0.81 1.42 3.32 -0.98 -2.01 116.42 117.99 2oz1 h ASP 128 Ca 0.07 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 2oz1 h ASP 128 Cb 0.33 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2oz1 h ASP 128 CO 0.02 0.71 0.37 0.58 -1.72 0.00 0.00 179.24 179.19 2oz1 h VAL 129 N -0.11 1.26 -0.31 -1.35 2.07 -1.14 0.10 116.25 116.78 2oz1 h VAL 129 Ca 0.02 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2oz1 h VAL 129 Cb 0.62 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2oz1 h VAL 129 CO 0.03 0.32 0.08 0.58 0.02 0.00 0.00 177.57 178.59 2oz1 h VAL 130 N 1.16 1.21 -0.67 2.57 2.07 -0.98 0.30 116.25 121.92 2oz1 h VAL 130 Ca 0.28 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2oz1 h VAL 130 Cb 0.15 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2oz1 h VAL 130 CO -0.03 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.15 2oz1 h ALA 131 N 0.91 0.90 0.66 1.67 0.00 -1.13 0.29 119.26 122.56 2oz1 h ALA 131 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2oz1 h ALA 131 Cb 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2oz1 h ALA 131 CO 0.00 0.00 -0.32 -0.92 0.00 0.00 0.00 179.25 178.01 2oz1 h TYR 132 N 0.64 -0.82 -0.36 0.00 3.20 -0.73 -3.06 116.97 115.84 2oz1 h TYR 132 Ca 0.31 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.26 2oz1 h TYR 132 Cb 0.25 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2oz1 h TYR 132 CO -0.09 -0.50 0.27 -0.07 -1.64 0.00 0.00 178.16 176.13 2oz1 h LEU 133 N -0.91 0.00 -1.17 2.82 3.38 0.14 -0.31 115.31 119.25 2oz1 h LEU 133 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2oz1 h LEU 133 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2oz1 h LEU 133 CO 0.15 0.00 0.00 0.24 0.09 0.00 0.00 178.44 178.92 2oz1 h MET 134 N 0.00 0.00 -0.00 1.13 2.86 -0.34 -1.67 114.93 116.90 2oz1 h MET 134 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2oz1 h MET 134 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2oz1 h MET 134 CO -0.00 0.00 -0.20 0.25 1.06 0.00 0.00 176.91 178.02 2oz1 n THR 135 N -2.48 0.00 -2.43 2.22 -2.24 -0.13 -4.52 114.28 104.70 2oz1 n THR 135 Ca 0.01 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 2oz1 n THR 135 Cb 0.20 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2oz1 n THR 135 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2oz1 n LEU 136 N -1.14 6.32 -0.02 3.22 4.77 -0.63 -4.63 117.00 124.89 2oz1 n LEU 136 Ca 0.11 -4.55 -0.10 0.00 -0.03 0.00 0.00 56.01 51.43 2oz1 n LEU 136 Cb 0.31 -1.53 -0.14 0.00 -2.33 0.00 0.00 43.42 39.73 2oz1 n LEU 136 CO 0.27 1.19 -0.57 0.35 -1.33 0.00 0.00 177.39 177.30 2oz1 n THR 137 N 3.79 1.63 1.39 -5.08 -2.24 -1.26 -0.84 114.28 111.67 2oz1 n THR 137 Ca 0.40 -0.78 0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2oz1 n THR 137 Cb 0.38 -1.13 0.66 0.00 -2.10 0.00 0.00 70.33 68.14 2oz1 n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50