#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 1.53 -0.22 0.00 2.02 -1.26 -1.32 118.70 119.45 2oz1 s GLU 2 Ca 0.00 -1.01 -0.25 0.00 0.02 0.00 0.00 54.97 53.73 2oz1 s GLU 2 Cb 0.00 -1.68 -0.01 0.00 0.10 0.00 0.00 34.13 32.54 2oz1 s GLU 2 CO 0.00 0.43 0.83 0.08 0.02 0.00 0.00 175.26 176.62 2oz1 s VAL 3 N -0.81 4.84 0.47 2.63 1.01 0.10 -4.97 120.40 123.68 2oz1 s VAL 3 Ca 0.09 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 2oz1 s VAL 3 Cb -0.09 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 2oz1 s VAL 3 CO 0.02 -0.05 1.07 0.00 0.00 0.00 0.00 175.10 176.14 2oz1 s ALA 4 N 2.68 2.91 0.28 5.51 0.00 -1.26 -4.87 121.76 127.00 2oz1 s ALA 4 Ca 0.36 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 2oz1 s ALA 4 Cb -0.16 -3.29 0.56 0.00 0.00 0.00 0.00 23.12 20.24 2oz1 s ALA 4 CO 0.08 -0.39 1.51 -2.30 0.00 0.00 0.00 175.76 174.66 2oz1 n PRO 5 N -0.76 -0.08 0.01 0.00 -0.02 -1.26 -0.15 135.00 132.74 2oz1 n PRO 5 Ca 0.08 1.48 0.08 0.00 -2.02 0.00 0.00 63.50 63.13 2oz1 n PRO 5 Cb 0.51 -2.27 0.37 0.00 -0.02 0.00 0.00 33.50 32.09 2oz1 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oz1 n GLY 6 N -1.56 -1.10 0.63 -1.23 0.00 -1.26 -3.00 105.19 97.68 2oz1 n GLY 6 Ca 0.18 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2oz1 n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oz1 n ASP 7 N -1.57 2.40 -4.71 1.61 8.00 0.79 -5.00 116.55 118.07 2oz1 n ASP 7 Ca 0.04 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 2oz1 n ASP 7 Cb 0.20 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2oz1 n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oz1 s VAL 8 N -1.19 3.41 -0.32 2.53 1.01 -1.16 -4.88 120.40 119.80 2oz1 s VAL 8 Ca 0.20 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 2oz1 s VAL 8 Cb 0.13 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2oz1 s VAL 8 CO 0.19 0.06 0.63 0.00 0.00 0.00 0.00 175.10 175.98 2oz1 s ALA 9 N 1.32 3.50 -0.12 5.51 0.00 -1.26 -5.05 121.76 125.66 2oz1 s ALA 9 Ca 0.64 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 2oz1 s ALA 9 Cb -0.36 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2oz1 s ALA 9 CO 0.30 -1.17 -0.02 0.42 0.00 0.00 0.00 175.76 175.29 2oz1 s ILE 10 N 2.63 4.08 0.64 0.00 1.01 -1.26 -4.46 121.20 123.84 2oz1 s ILE 10 Ca 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 2oz1 s ILE 10 Cb -0.15 -2.76 0.14 0.00 0.01 0.00 0.00 42.46 39.71 2oz1 s ILE 10 CO 0.13 0.54 0.88 -0.90 0.00 0.00 0.00 174.94 175.59 2oz1 n ASP 11 N 2.93 0.49 0.32 3.58 5.68 -0.51 -4.91 116.55 124.13 2oz1 n ASP 11 Ca -0.18 -1.57 0.20 0.00 -0.50 0.00 0.00 54.79 52.74 2oz1 n ASP 11 Cb 0.53 -0.63 1.06 0.00 -1.14 0.00 0.00 41.12 40.94 2oz1 n ASP 11 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2oz1 h GLY 12 N -0.92 0.00 -1.50 6.12 0.00 -2.00 -2.36 103.07 102.41 2oz1 h GLY 12 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2oz1 h GLY 12 CO 0.24 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.72 2oz1 n GLN 13 N -2.93 1.61 -0.39 4.80 6.02 -1.26 -4.97 117.38 120.25 2oz1 n GLN 13 Ca -0.03 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 2oz1 n GLN 13 Cb 0.13 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2oz1 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oz1 n GLY 14 N 1.03 0.77 3.78 1.08 0.00 -0.89 -4.52 105.19 106.45 2oz1 n GLY 14 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.28 3.81 -0.36 1.61 3.76 -1.26 -4.18 115.29 116.39 2oz1 s HIS 15 Ca 0.00 1.65 -0.00 0.00 -0.15 0.00 0.00 55.06 56.56 2oz1 s HIS 15 Cb 0.00 -2.79 0.10 0.00 1.11 0.00 0.00 32.58 30.99 2oz1 s HIS 15 CO 0.00 0.40 0.11 0.08 -0.85 0.00 0.00 174.74 174.48 2oz1 s VAL 16 N -1.34 2.84 0.12 -0.90 1.01 0.62 -1.42 120.40 121.33 2oz1 s VAL 16 Ca 0.41 -2.05 0.17 0.00 0.00 0.00 0.00 61.98 60.51 2oz1 s VAL 16 Cb -0.21 -2.94 0.10 0.00 0.00 0.00 0.00 36.38 33.33 2oz1 s VAL 16 CO 0.25 -0.55 1.66 0.00 0.00 0.00 0.00 175.10 176.46 2oz1 h ALA 17 N 7.87 0.92 -3.46 5.51 0.00 -1.81 -3.40 119.26 124.89 2oz1 h ALA 17 Ca -0.11 -0.39 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 2oz1 h ALA 17 Cb 1.04 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 2oz1 h ALA 17 CO 0.60 0.54 -0.66 -0.98 0.00 0.00 0.00 179.25 178.75 2oz1 s ARG 18 N -3.47 2.72 0.87 0.00 1.70 -1.26 -4.91 118.95 114.61 2oz1 s ARG 18 Ca 0.01 -0.63 -0.14 0.00 -0.47 0.00 0.00 55.73 54.50 2oz1 s ARG 18 Cb 0.10 -2.62 0.01 0.00 -0.57 0.00 0.00 34.95 31.88 2oz1 s ARG 18 CO 0.70 0.63 0.46 -2.30 -1.08 0.00 0.00 175.30 173.71 2oz1 n PRO 19 N 1.56 -0.08 0.07 3.89 -0.02 -1.26 -4.92 135.00 134.24 2oz1 n PRO 19 Ca -0.15 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2oz1 n PRO 19 Cb 0.53 -1.86 0.28 0.00 -0.02 0.00 0.00 33.50 32.43 2oz1 n PRO 19 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2oz1 n LEU 20 N -1.01 0.70 -3.98 2.45 4.77 -1.26 -4.74 117.00 113.92 2oz1 n LEU 20 Ca 0.08 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.33 2oz1 n LEU 20 Cb 0.52 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 2oz1 n LEU 20 CO 0.50 -0.09 -0.21 0.28 -1.33 0.00 0.00 177.39 176.54 2oz1 s THR 21 N -3.12 0.16 -0.86 -5.08 -1.32 -1.26 0.02 115.64 104.18 2oz1 s THR 21 Ca 0.08 -1.51 0.25 0.00 -1.21 0.00 0.00 61.69 59.31 2oz1 s THR 21 Cb 0.13 -1.51 0.08 0.00 -1.51 0.00 0.00 72.50 69.69 2oz1 s THR 21 CO 0.67 -0.75 1.50 0.47 -2.21 0.00 0.00 174.62 174.30 2oz1 n ASP 22 N -0.01 0.50 -4.67 8.08 10.43 -0.44 -4.83 116.55 125.62 2oz1 n ASP 22 Ca -0.13 0.06 -0.42 0.00 2.57 0.00 0.00 54.79 56.87 2oz1 n ASP 22 Cb 0.62 0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.57 2oz1 n ASP 22 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2oz1 s ALA 23 N -3.06 3.63 0.35 2.24 0.00 -1.26 -4.97 121.76 118.68 2oz1 s ALA 23 Ca 0.10 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 2oz1 s ALA 23 Cb 0.16 -3.73 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 2oz1 s ALA 23 CO 0.67 -1.32 1.35 -0.35 0.00 0.00 0.00 175.76 176.10 2oz1 n PRO 24 N 6.78 2.28 -2.17 0.00 -0.04 -1.26 -4.93 135.00 135.65 2oz1 n PRO 24 Ca 0.17 0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 64.01 2oz1 n PRO 24 Cb 0.42 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 2oz1 n PRO 24 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2oz1 s GLY 25 N -0.24 1.90 -0.43 0.55 0.00 -1.26 -4.83 107.32 103.02 2oz1 s GLY 25 Ca 0.55 1.04 -0.12 0.00 0.00 0.00 0.00 44.72 46.18 2oz1 s GLY 25 CO 0.62 2.45 0.30 -0.35 0.00 0.00 0.00 173.10 176.12 2oz1 s ASP 26 N 1.50 5.88 0.51 1.64 2.15 -1.26 -4.86 116.67 122.23 2oz1 s ASP 26 Ca 0.65 -1.27 0.17 0.00 0.43 0.00 0.00 52.55 52.52 2oz1 s ASP 26 Cb -0.35 -2.08 1.25 0.00 -0.30 0.00 0.00 42.92 41.44 2oz1 s ASP 26 CO 0.29 -0.53 2.12 1.55 -0.17 0.00 0.00 175.17 178.42 2oz1 h PRO 27 N 8.56 0.05 -0.29 4.34 0.13 -1.81 -0.63 132.00 142.35 2oz1 h PRO 27 Ca -0.26 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 2oz1 h PRO 27 Cb 1.10 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2oz1 h PRO 27 CO 0.78 0.04 -0.15 0.28 -0.23 0.00 0.00 178.00 178.71 2oz1 h VAL 28 N 0.06 1.29 -0.21 1.56 2.07 -1.93 -0.64 116.25 118.45 2oz1 h VAL 28 Ca 0.05 -1.25 -0.17 0.00 0.82 0.00 0.00 66.70 66.16 2oz1 h VAL 28 Cb 0.15 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2oz1 h VAL 28 CO -0.01 0.40 -0.54 -0.08 0.02 0.00 0.00 177.57 177.36 2oz1 h GLU 29 N 0.37 0.63 -0.93 1.57 4.57 -1.82 -3.02 114.58 115.94 2oz1 h GLU 29 Ca 0.06 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2oz1 h GLU 29 Cb 0.67 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.24 2oz1 h GLU 29 CO 0.04 1.01 0.59 0.78 -1.18 0.00 0.00 179.01 180.25 2oz1 h GLY 30 N 0.98 1.43 0.97 1.92 0.00 -1.01 -1.36 103.07 106.01 2oz1 h GLY 30 Ca 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2oz1 h GLY 30 CO 0.11 0.28 0.23 -0.09 0.00 0.00 0.00 176.54 177.07 2oz1 h ARG 31 N 1.05 0.71 -0.62 4.80 2.43 -1.06 -3.04 114.38 118.64 2oz1 h ARG 31 Ca 0.41 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 2oz1 h ARG 31 Cb 0.21 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2oz1 h ARG 31 CO -0.19 0.60 0.07 -0.09 -1.51 0.00 0.00 179.97 178.85 2oz1 h ARG 32 N 0.65 1.04 0.00 0.20 2.43 -1.35 -2.95 114.38 114.40 2oz1 h ARG 32 Ca 0.17 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2oz1 h ARG 32 Cb 0.12 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2oz1 h ARG 32 CO -0.02 0.97 0.00 -0.07 -1.51 0.00 0.00 179.97 179.34 2oz1 h LEU 33 N 0.97 0.00 0.00 3.80 3.38 -1.14 -2.91 115.31 119.40 2oz1 h LEU 33 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2oz1 h LEU 33 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2oz1 h LEU 33 CO 0.02 0.00 -0.60 0.24 0.09 0.00 0.00 178.44 178.19 2oz1 h MET 34 N 0.00 0.00 -0.21 1.13 2.86 -1.46 -3.12 114.93 114.13 2oz1 h MET 34 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2oz1 h MET 34 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2oz1 h MET 34 CO 0.00 0.18 0.00 0.25 1.06 0.00 0.00 176.91 178.40 2oz1 n THR 35 N -3.00 0.33 -2.56 2.22 -2.24 -1.13 -1.22 114.28 106.68 2oz1 n THR 35 Ca 0.00 -0.66 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 2oz1 n THR 35 Cb 0.64 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 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 -1.38 6.68 0.05 3.42 -1.08 -1.11 -4.89 116.67 118.35 2oz1 s ASP 36 Ca 0.28 0.74 0.13 0.00 -0.52 0.00 0.00 52.55 53.18 2oz1 s ASP 36 Cb 0.17 -2.55 0.58 0.00 -1.46 0.00 0.00 42.92 39.66 2oz1 s ASP 36 CO 0.25 -1.16 1.42 0.54 0.52 0.00 0.00 175.17 176.73 2oz1 n ARG 37 N 7.57 0.03 -0.01 4.34 1.74 -1.26 -1.04 116.66 128.04 2oz1 n ARG 37 Ca 0.13 0.34 0.08 0.00 -0.77 0.00 0.00 57.85 57.63 2oz1 n ARG 37 Cb 0.48 -1.57 -0.13 0.00 -1.02 0.00 0.00 32.46 30.22 2oz1 n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2oz1 n SER 38 N -1.64 1.14 0.00 0.55 2.88 -1.26 -4.67 113.62 110.63 2oz1 n SER 38 Ca 0.02 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2oz1 n SER 38 Cb 0.14 1.69 0.00 0.00 -0.75 0.00 0.00 64.21 65.29 2oz1 n SER 38 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2oz1 n VAL 39 N -2.02 0.00 -0.12 2.46 0.31 -1.15 -4.95 118.33 112.86 2oz1 n VAL 39 Ca -0.02 0.16 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 2oz1 n VAL 39 Cb 0.42 -1.09 -0.11 0.00 -0.91 0.00 0.00 33.84 32.15 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 2.49 -0.35 3.68 2.92 0.00 -1.20 -4.74 105.19 107.99 2oz1 n GLY 40 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.16 -3.40 -0.08 1.61 5.15 -0.21 -4.90 115.26 110.27 2oz1 n ASN 41 Ca -0.41 -0.71 -0.12 0.00 -0.60 0.00 0.00 54.58 52.74 2oz1 n ASN 41 Cb 0.95 -4.43 0.01 0.00 -0.53 0.00 0.00 39.78 35.77 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 0.67 0.00 -0.81 0.00 -0.00 -1.56 -1.68 117.51 114.12 2oz1 h ILE 43 Ca 0.05 -0.22 0.16 0.00 -0.00 0.00 0.00 64.86 64.85 2oz1 h ILE 43 Cb 0.99 0.96 -0.06 0.00 -0.00 0.00 0.00 36.82 38.71 2oz1 h ILE 43 CO 0.09 0.00 0.54 0.00 -0.00 0.00 0.00 178.15 178.78 2oz1 h ALA 44 N 2.18 2.10 0.00 0.16 0.00 -1.82 0.45 119.26 122.33 2oz1 h ALA 44 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2oz1 h ALA 44 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2oz1 h ALA 44 CO 0.00 -0.33 -1.30 0.00 0.00 0.00 0.00 179.25 177.62 2oz1 s HIS 46 N -2.24 2.71 0.15 0.00 3.76 -0.67 -0.43 115.29 118.56 2oz1 s HIS 46 Ca -0.02 -0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 53.95 2oz1 s HIS 46 Cb 0.02 -1.78 -0.07 0.00 1.11 0.00 0.00 32.58 31.86 2oz1 s HIS 46 CO 0.22 -0.26 0.62 -2.00 -0.85 0.00 0.00 174.74 172.46 2oz1 s GLU 47 N 0.27 4.17 -0.17 1.40 -6.30 -1.24 -4.33 118.70 112.50 2oz1 s GLU 47 Ca -0.12 0.72 -0.04 0.00 -2.50 0.00 0.00 54.97 53.03 2oz1 s GLU 47 Cb -0.16 -3.04 0.07 0.00 0.00 0.00 0.00 34.13 31.01 2oz1 s GLU 47 CO 0.06 0.51 0.17 0.08 0.02 0.00 0.00 175.26 176.11 2oz1 s VAL 48 N -1.35 -0.25 0.29 3.70 1.01 -1.26 -0.81 120.40 121.73 2oz1 s VAL 48 Ca 0.36 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2oz1 s VAL 48 Cb -0.17 -0.57 0.10 0.00 0.00 0.00 0.00 36.38 35.73 2oz1 s VAL 48 CO 0.20 -0.15 1.76 0.71 0.00 0.00 0.00 175.10 177.62 2oz1 h THR 49 N 6.35 1.24 -1.04 3.92 1.35 -1.98 -1.34 112.91 121.41 2oz1 h THR 49 Ca -0.16 -1.11 0.29 0.00 -0.55 0.00 0.00 66.41 64.88 2oz1 h THR 49 Cb 1.14 1.17 -0.12 0.00 -1.73 0.00 0.00 68.15 68.62 2oz1 h THR 49 CO 0.26 0.36 0.63 -0.08 -0.25 0.00 0.00 175.52 176.44 2oz1 h GLU 50 N 0.50 0.41 -3.48 4.72 4.22 -2.01 -2.94 114.58 116.00 2oz1 h GLU 50 Ca 0.09 -0.02 -0.73 0.00 0.08 0.00 0.00 59.36 58.77 2oz1 h GLU 50 Cb 0.55 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 2oz1 h GLU 50 CO 0.04 0.27 2.54 -1.33 -2.18 0.00 0.00 179.01 178.35 2oz1 n MET 51 N -4.83 3.54 0.17 1.92 2.81 -0.51 -4.70 117.12 115.53 2oz1 n MET 51 Ca 0.28 -3.15 0.13 0.00 -1.81 0.00 0.00 57.70 53.16 2oz1 n MET 51 Cb 0.90 -2.98 0.55 0.00 -0.71 0.00 0.00 33.22 30.98 2oz1 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2oz1 h ALA 52 N 5.60 1.00 0.00 3.04 0.00 -1.73 -2.41 119.26 124.76 2oz1 h ALA 52 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2oz1 h ALA 52 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2oz1 h ALA 52 CO 1.70 0.00 -0.31 -0.40 0.00 0.00 0.00 179.25 180.24 2oz1 n ASP 53 N -2.46 0.46 -4.70 0.00 5.75 -1.26 -4.87 116.55 109.46 2oz1 n ASP 53 Ca 0.02 0.19 -0.42 0.00 -0.01 0.00 0.00 54.79 54.56 2oz1 n ASP 53 Cb 0.25 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 2oz1 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2oz1 s ALA 54 N -3.06 3.40 -0.07 2.12 0.00 -0.91 -5.02 121.76 118.22 2oz1 s ALA 54 Ca 0.11 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 2oz1 s ALA 54 Cb 0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2oz1 s ALA 54 CO 0.64 -0.55 0.34 -0.65 0.00 0.00 0.00 175.76 175.54 2oz1 s GLN 55 N 1.59 3.99 -1.08 0.00 -0.21 -1.26 -4.60 119.66 118.09 2oz1 s GLN 55 Ca 0.56 0.25 -0.15 0.00 0.02 0.00 0.00 55.36 56.04 2oz1 s GLN 55 Cb -0.26 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.43 2oz1 s GLN 55 CO 0.25 0.52 0.82 1.19 -2.12 0.00 0.00 175.29 175.95 2oz1 n PHE 56 N 2.53 -2.14 -2.26 0.91 3.01 -1.26 -4.95 117.46 113.30 2oz1 n PHE 56 Ca -0.13 0.62 -0.41 0.00 1.01 0.00 0.00 57.45 58.54 2oz1 n PHE 56 Cb 0.52 -3.65 -0.03 0.00 -0.01 0.00 0.00 39.48 36.32 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 -5.31 4.46 0.86 -1.08 0.04 -1.26 -4.81 135.00 127.89 2oz1 s PRO 57 Ca 0.43 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.37 2oz1 s PRO 57 Cb -0.12 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.40 2oz1 s PRO 57 CO 0.82 -0.08 1.22 0.20 0.04 0.00 0.00 177.00 179.20 2oz1 s GLY 58 N -0.35 1.68 -0.03 0.56 0.00 0.16 -4.87 107.32 104.47 2oz1 s GLY 58 Ca 0.50 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 44.32 2oz1 s GLY 58 CO 0.45 -0.34 0.92 -1.30 0.00 0.00 0.00 173.10 172.83 2oz1 n THR 59 N -3.45 0.85 -0.03 0.90 -2.24 -1.23 -3.62 114.28 105.46 2oz1 n THR 59 Ca 0.11 -0.93 -0.13 0.00 -2.27 0.00 0.00 64.05 60.83 2oz1 n THR 59 Cb 0.60 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.34 1.40 -2.93 2.28 2.07 -1.80 -3.45 116.25 115.16 2oz1 h VAL 60 Ca 0.00 -1.26 -0.46 0.00 0.82 0.00 0.00 66.70 65.80 2oz1 h VAL 60 Cb 0.80 2.17 0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2oz1 h VAL 60 CO 0.00 0.34 -0.02 -0.83 0.02 0.00 0.00 177.57 177.08 2oz1 s GLY 61 N -3.31 1.62 0.85 2.17 0.00 0.43 -5.04 107.32 104.03 2oz1 s GLY 61 Ca -0.16 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 2oz1 s GLY 61 CO 0.70 -0.80 1.10 2.56 0.00 0.00 0.00 173.10 176.65 2oz1 s PRO 62 N -4.70 1.67 0.32 2.90 0.04 -1.26 -4.58 135.00 129.38 2oz1 s PRO 62 Ca 0.51 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2oz1 s PRO 62 Cb -0.10 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 2oz1 s PRO 62 CO 0.40 -1.93 1.49 0.45 0.04 0.00 0.00 177.00 177.44 2oz1 n SER 63 N -3.66 3.52 -0.85 6.66 2.88 -1.26 -4.03 113.62 116.88 2oz1 n SER 63 Ca 0.07 1.18 0.10 0.00 -1.33 0.00 0.00 58.87 58.89 2oz1 n SER 63 Cb 0.56 -1.56 0.28 0.00 -0.75 0.00 0.00 64.21 62.73 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 1.36 2.52 -4.74 2.46 4.77 0.01 -4.95 117.00 118.44 2oz1 n LEU 64 Ca 0.06 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.48 2oz1 n LEU 64 Cb 0.37 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2oz1 n LEU 64 CO 0.63 0.57 1.24 0.47 -1.33 0.00 0.00 177.39 178.98 2oz1 n ASP 65 N 0.88 3.78 -0.14 -1.43 8.00 -1.26 -2.74 116.55 123.63 2oz1 n ASP 65 Ca 0.17 1.13 -0.02 0.00 0.71 0.00 0.00 54.79 56.79 2oz1 n ASP 65 Cb 0.44 -1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 39.96 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 2.41 0.42 0.33 0.44 0.00 -1.19 -4.91 105.19 102.69 2oz1 n GLY 66 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.25 0.00 1.61 3.04 -1.26 -1.38 116.25 119.51 2oz1 h VAL 67 Ca -0.04 -0.83 -0.03 0.00 -1.01 0.00 0.00 66.70 64.79 2oz1 h VAL 67 Cb 0.52 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2oz1 h VAL 67 CO 0.05 0.33 -0.14 0.00 -1.01 0.00 0.00 177.57 176.80 2oz1 h ALA 68 N 1.22 1.08 0.00 3.17 0.00 -1.45 0.39 119.26 123.66 2oz1 h ALA 68 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2oz1 h ALA 68 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2oz1 h ALA 68 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2oz1 h ALA 69 N 1.86 1.00 0.00 0.00 0.00 -1.32 -3.38 119.26 117.42 2oz1 h ALA 69 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2oz1 h ALA 69 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2oz1 h ALA 69 CO 0.02 0.00 -1.35 2.89 0.00 0.00 0.00 179.25 180.81 2oz1 n ARG 70 N -3.01 2.10 -4.38 0.00 1.85 -0.74 -5.01 116.66 107.47 2oz1 n ARG 70 Ca 0.02 0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.54 2oz1 n ARG 70 Cb 0.38 -1.13 -0.12 0.00 -1.05 0.00 0.00 32.46 30.54 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 -2.12 3.05 0.65 2.89 2.02 0.13 -5.11 117.35 118.85 2oz1 s TYR 71 Ca -0.05 -0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.25 2oz1 s TYR 71 Cb 0.02 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2oz1 s TYR 71 CO 0.18 0.03 1.27 -1.25 -1.57 0.00 0.00 175.55 174.21 2oz1 s PRO 72 N 0.23 2.57 0.30 -1.71 0.04 -1.26 -4.51 135.00 130.66 2oz1 s PRO 72 Ca -0.02 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.08 2oz1 s PRO 72 Cb -0.14 -1.86 0.74 0.00 0.04 0.00 0.00 34.50 33.29 2oz1 s PRO 72 CO 0.03 -1.57 1.77 1.49 0.04 0.00 0.00 177.00 178.76 2oz1 h GLU 73 N 0.52 0.70 -0.27 4.56 4.81 -1.97 0.14 114.58 123.07 2oz1 h GLU 73 Ca -0.51 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 2oz1 h GLU 73 Cb 1.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2oz1 h GLU 73 CO 0.53 0.46 0.02 0.00 -0.73 0.00 0.00 179.01 179.29 2oz1 h ALA 74 N 1.65 1.55 -0.05 2.92 0.00 -1.91 0.20 119.26 123.62 2oz1 h ALA 74 Ca 0.58 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 2oz1 h ALA 74 Cb 0.92 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2oz1 h ALA 74 CO -0.40 0.33 -0.67 1.98 0.00 0.00 0.00 179.25 180.50 2oz1 h MET 75 N 0.38 0.53 -0.56 0.00 1.85 -1.31 0.20 114.93 116.02 2oz1 h MET 75 Ca 0.09 -0.51 0.01 0.00 -0.61 0.00 0.00 59.70 58.68 2oz1 h MET 75 Cb 0.22 0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 2oz1 h MET 75 CO 0.00 1.14 0.37 0.82 -0.40 0.00 0.00 176.91 178.85 2oz1 h ILE 76 N 0.12 1.13 0.03 1.77 2.04 -0.87 -2.17 117.51 119.56 2oz1 h ILE 76 Ca -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2oz1 h ILE 76 Cb 1.34 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2oz1 h ILE 76 CO 0.13 0.14 -0.02 -0.09 0.00 0.00 0.00 178.15 178.31 2oz1 h ARG 77 N 0.74 -0.04 -0.38 2.37 2.43 -0.62 -3.20 114.38 115.68 2oz1 h ARG 77 Ca 0.21 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2oz1 h ARG 77 Cb -0.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2oz1 h ARG 77 CO -0.05 0.33 0.26 0.78 -1.51 0.00 0.00 179.97 179.78 2oz1 h GLY 78 N -0.42 0.39 1.59 2.80 0.00 -1.23 -0.31 103.07 105.89 2oz1 h GLY 78 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2oz1 h GLY 78 CO 0.01 0.11 0.07 -2.22 0.00 0.00 0.00 176.54 174.51 2oz1 h ILE 79 N 0.33 1.17 0.00 2.60 2.04 -1.44 -0.49 117.51 121.72 2oz1 h ILE 79 Ca 0.16 -0.62 -0.24 0.00 1.00 0.00 0.00 64.86 65.16 2oz1 h ILE 79 Cb 0.23 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2oz1 h ILE 79 CO -0.04 0.22 -1.49 -0.07 0.00 0.00 0.00 178.15 176.78 2oz1 h LEU 80 N 0.52 0.00 0.43 1.44 3.38 -1.17 -1.78 115.31 118.13 2oz1 h LEU 80 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2oz1 h LEU 80 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2oz1 h LEU 80 CO -0.00 0.87 -0.21 0.58 0.09 0.00 0.00 178.44 179.78 2oz1 h VAL 81 N 0.00 0.43 -1.42 1.22 2.07 -1.05 -3.01 116.25 114.48 2oz1 h VAL 81 Ca -0.21 -0.54 -0.17 0.00 0.82 0.00 0.00 66.70 66.60 2oz1 h VAL 81 Cb 1.85 0.63 -0.25 0.00 -1.52 0.00 0.00 31.29 32.00 2oz1 h VAL 81 CO 0.08 0.08 -0.54 0.21 0.02 0.00 0.00 177.57 177.42 2oz1 s ASN 82 N -4.91 -0.36 0.50 0.57 3.84 -0.20 -1.97 114.94 112.42 2oz1 s ASN 82 Ca -0.13 -0.90 0.29 0.00 0.21 0.00 0.00 52.86 52.32 2oz1 s ASN 82 Cb 0.02 1.37 1.39 0.00 -0.55 0.00 0.00 41.25 43.48 2oz1 s ASN 82 CO 0.47 -0.24 1.85 0.77 -2.79 0.00 0.00 177.10 177.16 2oz1 h SER 83 N 7.28 0.13 0.77 -4.21 4.64 -1.40 -1.21 113.55 119.55 2oz1 h SER 83 Ca 0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2oz1 h SER 83 Cb 1.13 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2oz1 h SER 83 CO 0.16 0.04 0.00 0.11 -0.87 0.00 0.00 176.83 176.27 2oz1 h LYS 84 N 0.12 0.00 -0.06 4.77 6.56 -1.86 0.22 116.57 126.32 2oz1 h LYS 84 Ca 0.49 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.94 2oz1 h LYS 84 Cb 1.74 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.39 2oz1 h LYS 84 CO -0.07 0.00 -0.58 -0.91 -2.06 0.00 0.00 179.45 175.82 2oz1 h ASN 85 N 0.00 0.21 0.01 0.86 2.35 -1.53 -3.16 115.58 114.32 2oz1 h ASN 85 Ca 0.00 -0.12 -0.39 0.00 -0.55 0.00 0.00 56.30 55.24 2oz1 h ASN 85 Cb 0.39 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 2oz1 h ASN 85 CO 0.00 0.75 -2.20 0.52 -1.65 0.00 0.00 177.43 174.85 2oz1 n VAL 86 N -3.88 1.55 -3.92 2.81 0.31 -0.74 -4.33 118.33 110.14 2oz1 n VAL 86 Ca -0.02 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 63.64 2oz1 n VAL 86 Cb 0.60 -1.81 -0.13 0.00 -0.91 0.00 0.00 33.84 31.59 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 3.31 0.34 3.52 0.40 0.71 -5.07 117.98 118.71 2oz1 s PHE 87 Ca -0.34 -3.19 -0.29 0.00 -0.60 0.00 0.00 56.93 52.51 2oz1 s PHE 87 Cb 0.11 -2.83 -0.12 0.00 0.51 0.00 0.00 43.02 40.70 2oz1 s PHE 87 CO 0.56 -0.70 1.48 -2.30 0.70 0.00 0.00 175.22 174.97 2oz1 n PRO 88 N 2.82 2.55 -0.99 0.24 -0.02 -1.19 -1.77 135.00 136.65 2oz1 n PRO 88 Ca 0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2oz1 n PRO 88 Cb 0.33 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 2oz1 n PRO 88 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2oz1 n GLU 89 N 1.06 -0.43 -1.59 -0.52 1.02 -1.26 -5.02 120.64 113.90 2oz1 n GLU 89 Ca 0.05 0.11 -0.36 0.00 -0.02 0.00 0.00 57.16 56.93 2oz1 n GLU 89 Cb 0.37 -3.43 0.08 0.00 -0.02 0.00 0.00 31.44 28.44 2oz1 n GLU 89 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2oz1 n THR 90 N -2.68 4.28 0.89 2.62 5.66 -0.73 -4.93 114.28 119.39 2oz1 n THR 90 Ca 0.00 -0.44 0.12 0.00 -3.05 0.00 0.00 64.05 60.68 2oz1 n THR 90 Cb 0.11 -1.40 0.31 0.00 -1.55 0.00 0.00 70.33 67.80 2oz1 n THR 90 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2oz1 n VAL 91 N -2.18 0.10 -1.79 1.08 0.24 -1.26 -4.88 118.33 109.63 2oz1 n VAL 91 Ca 0.15 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 2oz1 n VAL 91 Cb 0.48 -0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 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 -3.04 4.16 0.66 7.34 -2.45 -1.26 -4.96 119.30 119.75 2oz1 s MET 92 Ca 0.10 2.50 -0.18 0.00 -1.25 0.00 0.00 55.69 56.87 2oz1 s MET 92 Cb 0.17 -3.55 -0.01 0.00 1.25 0.00 0.00 34.83 32.69 2oz1 s MET 92 CO 0.67 -0.79 1.29 -2.14 1.05 0.00 0.00 175.02 175.10 2oz1 s PRO 93 N 2.56 2.49 -0.46 4.11 0.02 -1.26 -4.73 135.00 137.73 2oz1 s PRO 93 Ca 0.78 2.06 -0.26 0.00 0.02 0.00 0.00 61.00 63.60 2oz1 s PRO 93 Cb -0.44 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.27 2oz1 s PRO 93 CO 0.35 -1.64 0.95 0.00 -0.33 0.00 0.00 177.00 176.32 2oz1 s ALA 94 N -1.42 3.22 -0.90 -1.55 0.00 -1.26 -4.46 121.76 115.39 2oz1 s ALA 94 Ca 0.82 -0.75 0.26 0.00 0.00 0.00 0.00 51.96 52.29 2oz1 s ALA 94 Cb -0.37 -3.68 0.68 0.00 0.00 0.00 0.00 23.12 19.75 2oz1 s ALA 94 CO 0.40 -2.09 1.55 0.66 0.00 0.00 0.00 175.76 176.29 2oz1 n TYR 95 N 7.26 0.19 -2.39 0.00 4.02 -1.14 -3.84 117.16 121.27 2oz1 n TYR 95 Ca 0.07 0.06 -0.05 0.00 -0.01 0.00 0.00 57.90 57.96 2oz1 n TYR 95 Cb 0.49 -0.45 0.06 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.69 1.27 -4.39 -0.72 9.36 -0.83 -1.23 117.16 118.93 2oz1 n TYR 96 Ca 0.05 -1.77 -0.32 0.00 3.32 0.00 0.00 57.90 59.19 2oz1 n TYR 96 Cb 0.37 -0.25 -0.10 0.00 -0.63 0.00 0.00 39.34 38.73 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 -2.95 2.55 -0.03 2.98 1.81 -1.25 -4.71 118.95 117.34 2oz1 s ARG 97 Ca 0.36 -0.74 0.05 0.00 -1.72 0.00 0.00 55.73 53.68 2oz1 s ARG 97 Cb 0.36 -2.51 0.07 0.00 -0.45 0.00 0.00 34.95 32.42 2oz1 s ARG 97 CO -0.05 0.59 0.94 1.33 -0.68 0.00 0.00 175.30 177.43 2oz1 n VAL 98 N 1.38 0.57 -3.57 3.52 0.24 -1.26 -4.44 118.33 114.76 2oz1 n VAL 98 Ca -0.15 -0.66 -0.17 0.00 -2.04 0.00 0.00 64.34 61.33 2oz1 n VAL 98 Cb 0.52 0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 33.25 2oz1 n VAL 98 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2oz1 s GLU 99 N -0.80 0.97 0.00 7.34 2.12 -1.26 -4.53 118.70 122.53 2oz1 s GLU 99 Ca 0.08 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.60 2oz1 s GLU 99 Cb 0.07 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.91 2oz1 s GLU 99 CO 0.01 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 2oz1 n GLY 100 N 1.05 0.63 3.86 -1.50 0.00 -1.26 -5.06 105.19 102.91 2oz1 n GLY 100 Ca -0.19 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 3.45 -0.40 1.61 0.40 -1.26 -5.05 117.98 114.73 2oz1 s PHE 101 Ca 0.00 1.20 -0.16 0.00 -0.60 0.00 0.00 56.93 57.38 2oz1 s PHE 101 Cb 0.00 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 40.98 2oz1 s PHE 101 CO 0.00 -0.17 0.35 1.21 0.70 0.00 0.00 175.22 177.31 2oz1 s ASN 102 N -3.03 6.14 -1.22 1.36 3.84 -1.26 -4.60 114.94 116.18 2oz1 s ASN 102 Ca 0.54 -0.72 -0.06 0.00 0.21 0.00 0.00 52.86 52.82 2oz1 s ASN 102 Cb -0.10 -2.18 -0.01 0.00 -0.55 0.00 0.00 41.25 38.40 2oz1 s ASN 102 CO 0.30 -0.47 0.77 0.54 -2.79 0.00 0.00 177.10 175.44 2oz1 n ARG 103 N 5.33 -3.54 -2.31 0.43 1.74 -1.26 -4.93 116.66 112.13 2oz1 n ARG 103 Ca -0.10 0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 57.20 2oz1 n ARG 103 Cb 0.48 -5.04 -0.03 0.00 -1.02 0.00 0.00 32.46 26.84 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 -5.68 4.48 0.35 5.56 0.04 -1.26 -4.99 135.00 133.49 2oz1 s PRO 104 Ca 0.20 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.30 2oz1 s PRO 104 Cb -0.05 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2oz1 s PRO 104 CO 0.81 -0.05 0.22 0.20 0.04 0.00 0.00 177.00 178.22 2oz1 s GLY 105 N -0.32 1.90 -0.39 0.56 0.00 -1.26 -2.27 107.32 105.54 2oz1 s GLY 105 Ca 0.50 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.16 2oz1 s GLY 105 CO 0.43 -1.68 1.13 -0.42 0.00 0.00 0.00 173.10 172.56 2oz1 s ILE 106 N -2.38 4.32 0.00 0.90 1.01 -0.27 -4.73 121.20 120.05 2oz1 s ILE 106 Ca 0.40 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.50 2oz1 s ILE 106 Cb -0.04 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2oz1 s ILE 106 CO 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 174.94 174.46 2oz1 n ALA 107 N 7.43 0.00 -2.20 9.38 0.00 -1.26 -1.28 120.51 132.57 2oz1 n ALA 107 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 2oz1 n ALA 107 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 6.69 2.80 0.74 0.00 3.01 -1.26 -4.73 117.46 124.71 2oz1 n PHE 108 Ca 0.00 -2.47 0.10 0.00 1.01 0.00 0.00 57.45 56.09 2oz1 n PHE 108 Cb 0.00 -0.27 -0.13 0.00 -0.01 0.00 0.00 39.48 39.08 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 -0.63 0.00 -0.91 4.37 -2.24 -0.40 -4.97 114.28 109.49 2oz1 n THR 109 Ca 0.40 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2oz1 n THR 109 Cb 0.87 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 -1.66 -1.14 -4.77 3.42 7.64 -1.26 -5.02 113.62 110.82 2oz1 n SER 110 Ca 0.02 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.51 2oz1 n SER 110 Cb 0.38 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 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 -0.32 4.52 0.36 1.43 1.02 -1.26 -4.94 119.74 120.54 2oz1 s LYS 111 Ca 0.00 1.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.81 2oz1 s LYS 111 Cb 0.00 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 2oz1 s LYS 111 CO 0.00 0.53 1.34 -2.14 -0.92 0.00 0.00 175.35 174.16 2oz1 s PRO 112 N -0.96 4.22 -0.19 -1.68 0.02 -1.26 -1.11 135.00 134.04 2oz1 s PRO 112 Ca 0.35 2.27 -0.29 0.00 0.02 0.00 0.00 61.00 63.36 2oz1 s PRO 112 Cb -0.22 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 2oz1 s PRO 112 CO 0.25 -0.32 1.62 0.42 -0.33 0.00 0.00 177.00 178.64 2oz1 s ILE 113 N -1.16 3.68 -0.23 2.83 1.01 -0.96 -4.70 121.20 121.67 2oz1 s ILE 113 Ca 0.51 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 2oz1 s ILE 113 Cb -0.41 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.42 2oz1 s ILE 113 CO 0.54 -0.24 -0.09 -1.61 0.00 0.00 0.00 174.94 173.54 2oz1 s GLU 114 N 4.56 2.97 0.00 2.79 2.02 -1.26 -4.99 118.70 124.79 2oz1 s GLU 114 Ca 0.72 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.83 2oz1 s GLU 114 Cb -0.26 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.06 2oz1 s GLU 114 CO 0.29 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2oz1 n GLY 115 N 4.68 0.28 3.75 -1.39 0.00 -1.26 -5.04 105.19 106.22 2oz1 n GLY 115 Ca -0.18 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.21 2oz1 n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oz1 s GLU 116 N 0.00 4.64 -0.17 1.61 2.02 -1.26 -5.02 118.70 120.53 2oz1 s GLU 116 Ca 0.00 1.75 -0.23 0.00 0.02 0.00 0.00 54.97 56.51 2oz1 s GLU 116 Cb 0.00 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 2oz1 s GLU 116 CO 0.00 0.19 0.72 0.42 0.02 0.00 0.00 175.26 176.61 2oz1 s ILE 117 N -0.85 4.97 0.24 -1.63 1.01 -1.26 -5.06 121.20 118.61 2oz1 s ILE 117 Ca 0.46 1.41 -0.14 0.00 0.00 0.00 0.00 60.65 62.38 2oz1 s ILE 117 Cb -0.31 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 2oz1 s ILE 117 CO 0.38 0.10 0.64 -0.13 0.00 0.00 0.00 174.94 175.93 2oz1 s ARG 118 N 1.83 3.99 0.80 2.79 0.52 -1.26 -4.78 118.95 122.83 2oz1 s ARG 118 Ca 0.34 0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 55.99 2oz1 s ARG 118 Cb -0.16 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 32.71 2oz1 s ARG 118 CO 0.12 0.31 1.13 -1.25 0.02 0.00 0.00 175.30 175.64 2oz1 s PRO 119 N -2.54 1.86 0.34 3.54 0.04 -1.26 -4.89 135.00 132.10 2oz1 s PRO 119 Ca 0.47 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2oz1 s PRO 119 Cb -0.13 -1.83 0.63 0.00 0.04 0.00 0.00 34.50 33.21 2oz1 s PRO 119 CO 0.19 -1.98 1.95 -0.07 0.04 0.00 0.00 177.00 177.14 2oz1 h LEU 120 N -1.14 0.62 -8.55 -3.56 3.38 -1.71 -3.42 115.31 100.94 2oz1 h LEU 120 Ca -0.44 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 56.98 2oz1 h LEU 120 Cb 1.26 -0.16 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 2oz1 h LEU 120 CO 0.48 0.54 -0.80 -0.04 0.09 0.00 0.00 178.44 178.71 2oz1 s MET 121 N -5.37 0.97 0.84 1.13 -1.94 -0.36 -4.85 119.30 109.72 2oz1 s MET 121 Ca -0.09 -1.06 -0.12 0.00 -1.71 0.00 0.00 55.69 52.71 2oz1 s MET 121 Cb 0.17 -1.11 0.09 0.00 2.01 0.00 0.00 34.83 35.99 2oz1 s MET 121 CO 0.76 0.25 1.12 0.95 -0.01 0.00 0.00 175.02 178.09 2oz1 s THR 122 N -1.23 2.62 0.28 2.05 -4.23 -1.26 -4.69 115.64 109.17 2oz1 s THR 122 Ca 0.02 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2oz1 s THR 122 Cb -0.10 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 71.05 2oz1 s THR 122 CO 0.03 -0.26 1.85 0.00 -0.54 0.00 0.00 174.62 175.70 2oz1 h ALA 123 N -1.23 1.49 -0.15 3.99 0.00 -1.93 -1.70 119.26 119.72 2oz1 h ALA 123 Ca -0.48 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2oz1 h ALA 123 Cb 1.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2oz1 h ALA 123 CO 0.61 0.30 -0.21 0.78 0.00 0.00 0.00 179.25 180.73 2oz1 h GLY 124 N 1.05 0.45 0.27 0.00 0.00 -1.93 -2.07 103.07 100.85 2oz1 h GLY 124 Ca 0.48 -0.49 0.09 0.00 0.00 0.00 0.00 47.33 47.40 2oz1 h GLY 124 CO -0.24 0.44 0.01 1.46 0.00 0.00 0.00 176.54 178.21 2oz1 h GLN 125 N 0.04 0.12 -0.48 4.80 4.20 -1.90 -1.05 115.11 120.84 2oz1 h GLN 125 Ca 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2oz1 h GLN 125 Cb 0.77 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2oz1 h GLN 125 CO 0.05 0.08 0.25 0.82 -0.67 0.00 0.00 178.83 179.36 2oz1 h ILE 126 N 0.12 1.17 -0.42 2.54 2.04 -1.29 -1.71 117.51 119.97 2oz1 h ILE 126 Ca 0.23 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2oz1 h ILE 126 Cb 0.33 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2oz1 h ILE 126 CO -0.37 0.19 -0.09 -0.33 0.00 0.00 0.00 178.15 177.55 2oz1 h GLU 127 N 0.63 0.73 -0.29 2.37 4.39 -1.15 0.11 114.58 121.36 2oz1 h GLU 127 Ca 0.17 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2oz1 h GLU 127 Cb 0.07 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2oz1 h GLU 127 CO -0.03 0.80 0.14 -0.44 -1.16 0.00 0.00 179.01 178.33 2oz1 h ASP 128 N 0.67 0.22 -0.14 1.42 3.32 -1.10 0.15 116.42 120.94 2oz1 h ASP 128 Ca 0.12 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2oz1 h ASP 128 Cb 0.54 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2oz1 h ASP 128 CO 0.03 0.16 -0.04 0.58 -1.72 0.00 0.00 179.24 178.26 2oz1 h VAL 129 N 0.30 1.29 -0.93 -1.35 2.07 -0.93 -0.36 116.25 116.35 2oz1 h VAL 129 Ca 0.12 -1.00 0.21 0.00 0.82 0.00 0.00 66.70 66.85 2oz1 h VAL 129 Cb 0.03 1.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.35 2oz1 h VAL 129 CO -0.08 0.29 0.49 0.58 0.02 0.00 0.00 177.57 178.87 2oz1 h VAL 130 N -0.03 0.58 -0.61 2.57 2.07 -0.80 0.40 116.25 120.44 2oz1 h VAL 130 Ca 0.04 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2oz1 h VAL 130 Cb 0.47 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2oz1 h VAL 130 CO 0.01 0.10 0.01 0.00 0.02 0.00 0.00 177.57 177.71 2oz1 h ALA 131 N 1.67 0.81 -0.18 1.67 0.00 -0.42 -1.96 119.26 120.86 2oz1 h ALA 131 Ca 0.56 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2oz1 h ALA 131 Cb 0.98 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2oz1 h ALA 131 CO -0.46 0.65 -0.25 -0.92 0.00 0.00 0.00 179.25 178.28 2oz1 h TYR 132 N 0.96 0.60 -0.27 0.00 3.20 -0.04 -3.15 116.97 118.28 2oz1 h TYR 132 Ca 0.17 -0.20 0.08 0.00 3.14 0.00 0.00 58.73 61.92 2oz1 h TYR 132 Cb 0.55 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2oz1 h TYR 132 CO 0.04 0.89 0.21 -0.07 -1.64 0.00 0.00 178.16 177.59 2oz1 h LEU 133 N 0.14 0.00 -0.19 2.82 3.38 -0.17 -2.26 115.31 119.03 2oz1 h LEU 133 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2oz1 h LEU 133 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2oz1 h LEU 133 CO 0.06 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.82 2oz1 n MET 134 N -4.32 0.24 0.06 1.13 2.81 -0.75 -2.19 117.12 114.09 2oz1 n MET 134 Ca 0.03 0.27 0.13 0.00 -1.81 0.00 0.00 57.70 56.32 2oz1 n MET 134 Cb 0.36 -1.82 0.37 0.00 -0.71 0.00 0.00 33.22 31.43 2oz1 n MET 134 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2oz1 n THR 135 N -2.24 0.36 -1.72 2.03 -2.24 -0.85 -4.53 114.28 105.08 2oz1 n THR 135 Ca 0.05 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 2oz1 n THR 135 Cb 0.37 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.00 7.20 -0.58 3.22 4.77 -0.93 -5.02 117.00 123.67 2oz1 n LEU 136 Ca 0.05 -4.25 0.07 0.00 -0.03 0.00 0.00 56.01 51.86 2oz1 n LEU 136 Cb 0.41 -1.62 0.06 0.00 -2.33 0.00 0.00 43.42 39.94 2oz1 n LEU 136 CO 0.32 1.32 0.48 0.35 -1.33 0.00 0.00 177.39 178.53