#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1x s THR 2 N 0.00 1.37 0.31 1.12 -4.23 -1.26 -5.04 115.64 107.91 1p1x s THR 2 Ca 0.00 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1p1x s THR 2 Cb 0.00 -1.81 0.25 0.00 1.34 0.00 0.00 72.50 72.28 1p1x s THR 2 CO 0.00 -0.62 1.97 0.44 -0.54 0.00 0.00 174.62 175.87 1p1x h ASP 3 N 2.93 0.85 -0.18 3.99 3.32 -2.05 -0.21 116.42 125.08 1p1x h ASP 3 Ca -0.38 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 1p1x h ASP 3 Cb 1.20 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1p1x h ASP 3 CO 0.59 0.64 -0.18 0.25 -1.72 0.00 0.00 179.24 178.83 1p1x h LEU 4 N 0.99 0.59 -0.26 1.55 5.85 -1.98 -0.67 115.31 121.37 1p1x h LEU 4 Ca 0.26 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1p1x h LEU 4 Cb -0.07 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1p1x h LEU 4 CO -0.05 0.78 -0.36 0.11 -0.34 0.00 0.00 178.44 178.57 1p1x h LYS 5 N 0.53 0.71 -0.30 1.25 1.57 -1.66 -0.50 116.57 118.17 1p1x h LYS 5 Ca 0.09 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1p1x h LYS 5 Cb 0.61 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1p1x h LYS 5 CO 0.04 1.03 0.07 0.00 -0.57 0.00 0.00 179.45 180.03 1p1x h ALA 6 N 0.67 0.39 -0.51 3.86 0.00 -0.86 -2.11 119.26 120.71 1p1x h ALA 6 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1p1x h ALA 6 Cb 0.95 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1p1x h ALA 6 CO 0.08 0.05 0.05 0.66 0.00 0.00 0.00 179.25 180.09 1p1x h SER 7 N 0.32 0.78 -0.21 0.00 4.64 -1.10 -2.57 113.55 115.41 1p1x h SER 7 Ca 0.09 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1p1x h SER 7 Cb 0.29 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1p1x h SER 7 CO 0.00 0.81 -0.41 0.28 -0.87 0.00 0.00 176.83 176.64 1p1x h SER 8 N 0.77 0.81 -0.59 4.97 0.02 -0.80 0.41 113.55 119.14 1p1x h SER 8 Ca 0.16 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 1p1x h SER 8 Cb 0.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1p1x h SER 8 CO 0.01 1.11 0.11 0.25 -1.14 0.00 0.00 176.83 177.17 1p1x h LEU 9 N 0.61 0.92 -0.13 5.07 5.85 -1.38 -1.36 115.31 124.89 1p1x h LEU 9 Ca 0.05 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1p1x h LEU 9 Cb 0.96 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1p1x h LEU 9 CO 0.09 0.94 0.09 -0.09 -0.34 0.00 0.00 178.44 179.13 1p1x h ARG 10 N 0.87 0.18 -0.80 1.25 2.43 -1.25 -2.57 114.38 114.47 1p1x h ARG 10 Ca 0.18 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1p1x h ARG 10 Cb 0.40 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1p1x h ARG 10 CO 0.01 0.12 0.47 0.00 -1.51 0.00 0.00 179.97 179.05 1p1x h ALA 11 N 1.05 1.03 -0.54 2.80 0.00 -0.78 -2.61 119.26 120.21 1p1x h ALA 11 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1p1x h ALA 11 Cb -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1p1x h ALA 11 CO -0.01 0.51 0.23 1.25 0.00 0.00 0.00 179.25 181.23 1p1x h LEU 12 N 1.11 0.28 0.00 0.00 6.46 -1.02 -1.47 115.31 120.67 1p1x h LEU 12 Ca 0.29 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 1p1x h LEU 12 Cb -0.01 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1p1x h LEU 12 CO -0.05 0.19 0.00 0.29 -0.62 0.00 0.00 178.44 178.25 1p1x n LYS 13 N -4.94 0.14 -0.11 1.25 5.02 -0.99 -2.12 118.16 116.41 1p1x n LYS 13 Ca 0.06 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.57 1p1x n LYS 13 Cb 0.19 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.84 1p1x n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p1x n LEU 14 N -1.40 2.88 -4.76 -0.35 4.77 -0.59 -3.05 117.00 114.51 1p1x n LEU 14 Ca 0.07 -1.40 -0.40 0.00 -0.03 0.00 0.00 56.01 54.25 1p1x n LEU 14 Cb 0.20 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1p1x n LEU 14 CO 0.17 0.61 0.74 -0.04 -1.33 0.00 0.00 177.39 177.54 1p1x s MET 15 N -1.29 4.71 -0.84 3.23 -1.94 -0.90 -1.26 119.30 121.02 1p1x s MET 15 Ca 0.27 1.70 -0.15 0.00 -1.71 0.00 0.00 55.69 55.80 1p1x s MET 15 Cb 0.17 -3.22 0.19 0.00 2.01 0.00 0.00 34.83 33.98 1p1x s MET 15 CO 0.23 0.31 0.85 -0.51 -0.01 0.00 0.00 175.02 175.89 1p1x s ASP 16 N -0.98 6.70 -0.11 3.03 1.11 0.33 -1.44 116.67 125.31 1p1x s ASP 16 Ca 0.43 -2.48 -0.29 0.00 0.18 0.00 0.00 52.55 50.38 1p1x s ASP 16 Cb -0.30 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1p1x s ASP 16 CO 0.38 -0.71 1.54 -0.22 1.18 0.00 0.00 175.17 177.34 1p1x s LEU 17 N 0.86 4.22 -0.03 1.23 2.96 -0.36 -3.06 118.68 124.50 1p1x s LEU 17 Ca 0.21 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 56.15 1p1x s LEU 17 Cb -0.10 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1p1x s LEU 17 CO -0.08 -0.92 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.00 1p1x s THR 18 N 4.04 3.15 -0.07 3.68 2.01 -0.34 -0.78 115.64 127.33 1p1x s THR 18 Ca 0.68 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1p1x s THR 18 Cb -0.29 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 69.99 1p1x s THR 18 CO 0.25 0.54 0.06 0.28 -0.69 0.00 0.00 174.62 175.06 1p1x s THR 19 N -0.79 -0.01 -0.41 -0.82 -1.32 -0.52 -4.62 115.64 107.14 1p1x s THR 19 Ca 0.13 0.26 0.06 0.00 -1.21 0.00 0.00 61.69 60.92 1p1x s THR 19 Cb -0.11 -0.31 0.21 0.00 -1.51 0.00 0.00 72.50 70.79 1p1x s THR 19 CO 0.02 0.11 0.44 0.18 -2.21 0.00 0.00 174.62 173.15 1p1x n LEU 20 N 5.27 -0.07 -4.30 9.08 4.77 -1.26 -4.21 117.00 126.27 1p1x n LEU 20 Ca -0.04 -4.56 -0.21 0.00 -0.03 0.00 0.00 56.01 51.17 1p1x n LEU 20 Cb 0.50 0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 42.04 1p1x n LEU 20 CO 0.08 1.97 -0.48 0.20 -1.33 0.00 0.00 177.39 177.83 1p1x s ASN 21 N -0.62 2.49 0.50 -1.43 0.01 -1.26 -5.03 114.94 109.60 1p1x s ASN 21 Ca 0.34 -0.82 0.16 0.00 -0.71 0.00 0.00 52.86 51.83 1p1x s ASN 21 Cb 0.11 -0.13 1.22 0.00 0.41 0.00 0.00 41.25 42.85 1p1x s ASN 21 CO -0.15 -0.05 2.10 0.44 -1.51 0.00 0.00 177.10 177.93 1p1x h ASP 22 N 3.46 0.09 -0.63 -1.22 3.32 -2.07 -2.11 116.42 117.26 1p1x h ASP 22 Ca -0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1p1x h ASP 22 Cb 1.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1p1x h ASP 22 CO 0.49 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.17 1p1x n ASP 23 N -4.50 4.85 -4.71 6.45 5.75 -1.26 -4.97 116.55 118.17 1p1x n ASP 23 Ca 0.01 -2.51 -0.38 0.00 -0.01 0.00 0.00 54.79 51.90 1p1x n ASP 23 Cb 0.20 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 39.76 1p1x n ASP 23 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1p1x n ASP 24 N 1.03 2.05 -4.16 -1.12 8.00 -0.80 -5.02 116.55 116.53 1p1x n ASP 24 Ca 0.26 0.88 -0.11 0.00 0.71 0.00 0.00 54.79 56.53 1p1x n ASP 24 Cb 0.92 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 1p1x n ASP 24 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1p1x s THR 25 N -1.37 0.03 0.23 -3.53 -4.23 -1.26 -5.05 115.64 100.46 1p1x s THR 25 Ca 0.77 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1p1x s THR 25 Cb -0.40 -2.32 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1p1x s THR 25 CO 0.45 -0.15 1.76 0.44 -0.54 0.00 0.00 174.62 176.58 1p1x h ASP 26 N 2.67 0.37 -0.44 3.99 3.32 -1.99 -1.57 116.42 122.77 1p1x h ASP 26 Ca -0.35 0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1p1x h ASP 26 Cb 1.23 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1p1x h ASP 26 CO 0.54 0.20 0.22 -0.33 -1.72 0.00 0.00 179.24 178.15 1p1x h GLU 27 N 0.52 0.44 -0.66 3.56 3.07 -1.99 0.86 114.58 120.39 1p1x h GLU 27 Ca 0.35 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1p1x h GLU 27 Cb 0.42 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1p1x h GLU 27 CO -0.30 0.29 0.36 0.87 -1.40 0.00 0.00 179.01 178.83 1p1x h LYS 28 N 0.45 0.91 -0.42 2.33 1.57 -1.89 -1.21 116.57 118.32 1p1x h LYS 28 Ca 0.19 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 1p1x h LYS 28 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1p1x h LYS 28 CO -0.13 0.69 -0.27 0.28 -0.57 0.00 0.00 179.45 179.44 1p1x h VAL 29 N 0.90 1.27 -0.67 0.50 2.07 -0.74 -1.55 116.25 118.03 1p1x h VAL 29 Ca 0.23 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1p1x h VAL 29 Cb 0.04 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1p1x h VAL 29 CO -0.04 0.48 0.42 0.40 0.02 0.00 0.00 177.57 178.85 1p1x h ILE 30 N 0.75 1.09 -0.84 4.57 2.04 -0.62 -1.01 117.51 123.49 1p1x h ILE 30 Ca 0.08 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1p1x h ILE 30 Cb 0.85 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1p1x h ILE 30 CO 0.08 0.15 0.40 0.00 0.00 0.00 0.00 178.15 178.77 1p1x h ALA 31 N 1.29 1.12 -0.70 1.87 0.00 -1.08 -1.92 119.26 119.84 1p1x h ALA 31 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p1x h ALA 31 Cb 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1p1x h ALA 31 CO -0.10 0.66 0.42 1.25 0.00 0.00 0.00 179.25 181.47 1p1x h LEU 32 N 1.19 0.83 -0.72 0.00 5.85 -0.65 -0.51 115.31 121.31 1p1x h LEU 32 Ca 0.29 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1p1x h LEU 32 Cb 0.12 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1p1x h LEU 32 CO -0.04 0.65 0.45 0.00 -0.34 0.00 0.00 178.44 179.17 1p1x h HIS 34 N 0.99 0.89 0.00 0.00 3.86 -0.95 -2.76 115.15 117.17 1p1x h HIS 34 Ca 0.26 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1p1x h HIS 34 Cb -0.06 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1p1x h HIS 34 CO -0.01 0.75 -0.26 0.37 0.86 0.00 0.00 177.93 179.63 1p1x h GLN 35 N 0.83 0.00 0.00 2.45 4.15 -0.34 -2.78 115.11 119.41 1p1x h GLN 35 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1p1x h GLN 35 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1p1x h GLN 35 CO 0.00 0.26 0.00 0.00 -1.93 0.00 0.00 178.83 177.16 1p1x h ALA 36 N 1.74 1.00 -2.02 3.38 0.00 -0.96 -3.38 119.26 119.01 1p1x h ALA 36 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1p1x h ALA 36 Cb 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.07 1p1x h ALA 36 CO 0.03 0.00 0.27 0.21 0.00 0.00 0.00 179.25 179.77 1p1x s LYS 37 N -3.48 3.23 0.37 0.00 2.20 -1.05 -1.64 119.74 119.37 1p1x s LYS 37 Ca 0.03 -1.54 0.08 0.00 -0.36 0.00 0.00 55.97 54.18 1p1x s LYS 37 Cb 0.09 -4.41 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 1p1x s LYS 37 CO 0.50 -1.57 0.27 0.95 -0.36 0.00 0.00 175.35 175.15 1p1x s THR 38 N 2.40 3.06 -0.09 3.43 -4.23 -0.49 -5.00 115.64 114.72 1p1x s THR 38 Ca 0.17 -1.46 0.28 0.00 -1.18 0.00 0.00 61.69 59.50 1p1x s THR 38 Cb -0.18 -3.07 0.30 0.00 1.34 0.00 0.00 72.50 70.89 1p1x s THR 38 CO 0.01 -0.11 1.86 -0.65 -0.54 0.00 0.00 174.62 175.19 1p1x h PRO 39 N 1.27 0.00 -0.14 3.99 0.11 -1.96 -2.56 132.00 132.71 1p1x h PRO 39 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1p1x h PRO 39 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1p1x h PRO 39 CO 0.60 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.72 1p1x n VAL 40 N -2.54 0.26 0.00 3.15 0.24 -1.26 -5.09 118.33 113.08 1p1x n VAL 40 Ca -0.00 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1p1x n VAL 40 Cb 0.16 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1p1x n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p1x n GLY 41 N 0.87 1.44 3.85 7.63 0.00 -0.96 -5.08 105.19 112.93 1p1x n GLY 41 Ca 0.11 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 1p1x n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1x s ASN 42 N 0.00 5.90 0.91 1.61 0.02 -1.26 -1.40 114.94 120.72 1p1x s ASN 42 Ca 0.00 0.07 -0.11 0.00 -1.02 0.00 0.00 52.86 51.80 1p1x s ASN 42 Cb 0.00 -1.68 0.14 0.00 0.02 0.00 0.00 41.25 39.73 1p1x s ASN 42 CO 0.00 0.12 1.10 0.42 0.02 0.00 0.00 177.10 178.77 1p1x s THR 43 N -1.57 2.53 0.20 1.60 -4.23 -0.65 -4.33 115.64 109.19 1p1x s THR 43 Ca 0.32 0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1p1x s THR 43 Cb -0.12 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.38 1p1x s THR 43 CO 0.25 -0.23 1.69 0.00 -0.54 0.00 0.00 174.62 175.79 1p1x h ALA 44 N -1.71 0.92 -2.94 3.99 0.00 -1.16 -3.45 119.26 114.92 1p1x h ALA 44 Ca -0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1p1x h ALA 44 Cb 1.27 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1p1x h ALA 44 CO 0.49 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.48 1p1x s ALA 45 N -5.11 -0.66 0.26 0.00 0.00 -0.68 -1.68 121.76 113.89 1p1x s ALA 45 Ca -0.11 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.29 1p1x s ALA 45 Cb 0.14 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 1p1x s ALA 45 CO 0.85 -0.95 -0.12 0.96 0.00 0.00 0.00 175.76 176.50 1p1x s ILE 46 N -3.64 2.90 -0.08 0.00 -4.36 -0.12 -1.22 121.20 114.68 1p1x s ILE 46 Ca 0.17 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1p1x s ILE 46 Cb -0.04 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.19 1p1x s ILE 46 CO 0.09 -0.33 -0.02 0.00 0.24 0.00 0.00 174.94 174.93 1p1x s ILE 48 N 1.84 0.08 0.58 0.00 -4.36 -0.90 -1.44 121.20 117.00 1p1x s ILE 48 Ca 0.04 -1.65 -0.18 0.00 -0.26 0.00 0.00 60.65 58.60 1p1x s ILE 48 Cb -0.12 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 1p1x s ILE 48 CO -0.05 -0.37 1.13 -0.31 0.24 0.00 0.00 174.94 175.58 1p1x s TYR 49 N -4.01 2.64 0.32 1.37 2.02 -1.26 -4.04 117.35 114.38 1p1x s TYR 49 Ca 0.21 1.54 0.05 0.00 -0.37 0.00 0.00 57.07 58.50 1p1x s TYR 49 Cb 0.05 -3.27 0.67 0.00 -0.40 0.00 0.00 41.96 39.02 1p1x s TYR 49 CO 0.01 -1.64 1.85 -1.35 -1.57 0.00 0.00 175.55 172.85 1p1x h PRO 50 N 0.87 0.84 0.00 -1.71 0.11 -1.94 -1.60 132.00 128.57 1p1x h PRO 50 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1p1x h PRO 50 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1p1x h PRO 50 CO 0.56 0.55 0.00 0.07 -0.21 0.00 0.00 178.00 178.97 1p1x h ARG 51 N 0.86 0.00 -0.02 1.05 0.11 -1.98 -1.52 114.38 112.88 1p1x h ARG 51 Ca 0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.55 1p1x h ARG 51 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1p1x h ARG 51 CO -0.24 0.00 -0.04 1.19 0.10 0.00 0.00 179.97 180.99 1p1x n PHE 52 N -2.84 0.00 0.01 4.08 3.72 -0.60 -4.48 117.46 117.35 1p1x n PHE 52 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1p1x n PHE 52 Cb 0.13 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1p1x n PHE 52 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1p1x h ILE 53 N 2.75 1.02 -0.56 4.37 2.04 -1.38 -1.52 117.51 124.23 1p1x h ILE 53 Ca 0.00 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1p1x h ILE 53 Cb 0.61 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1p1x h ILE 53 CO 0.00 0.02 0.35 -0.65 0.00 0.00 0.00 178.15 177.87 1p1x h PRO 54 N 0.09 0.69 -0.32 2.37 0.11 -1.78 0.17 132.00 133.33 1p1x h PRO 54 Ca 0.03 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1p1x h PRO 54 Cb -0.01 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1p1x h PRO 54 CO -0.01 0.46 -0.27 0.97 -0.21 0.00 0.00 178.00 178.94 1p1x h ILE 55 N 0.71 1.28 -0.53 4.15 6.09 -1.84 -2.31 117.51 125.05 1p1x h ILE 55 Ca 0.22 -1.37 -0.03 0.00 -1.37 0.00 0.00 64.86 62.31 1p1x h ILE 55 Cb -0.03 1.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 1p1x h ILE 55 CO -0.07 0.45 0.23 0.00 -3.07 0.00 0.00 178.15 175.68 1p1x h ALA 56 N 1.13 0.69 -0.49 0.18 0.00 -0.82 -1.47 119.26 118.48 1p1x h ALA 56 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p1x h ALA 56 Cb 0.76 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1p1x h ALA 56 CO 0.06 0.28 0.27 -0.09 0.00 0.00 0.00 179.25 179.77 1p1x h ARG 57 N 0.71 0.52 -0.67 0.00 9.65 -0.78 -0.04 114.38 123.78 1p1x h ARG 57 Ca 0.18 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1p1x h ARG 57 Cb 0.17 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1p1x h ARG 57 CO -0.02 0.35 0.35 -0.22 2.80 0.00 0.00 179.97 183.23 1p1x h LYS 58 N 0.54 0.95 -0.33 0.20 3.64 -1.26 -1.53 116.57 118.77 1p1x h LYS 58 Ca 0.20 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1p1x h LYS 58 Cb 0.06 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1p1x h LYS 58 CO -0.11 0.72 0.07 1.15 -2.27 0.00 0.00 179.45 179.01 1p1x h THR 59 N 0.92 1.23 -0.84 1.00 2.02 -0.74 -0.82 112.91 115.67 1p1x h THR 59 Ca 0.23 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1p1x h THR 59 Cb 0.06 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1p1x h THR 59 CO -0.04 0.26 0.42 -0.07 0.37 0.00 0.00 175.52 176.46 1p1x h LEU 60 N 0.38 1.09 -0.38 2.58 3.38 -0.90 -2.13 115.31 119.33 1p1x h LEU 60 Ca 0.10 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1p1x h LEU 60 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p1x h LEU 60 CO 0.00 0.91 -0.01 0.50 0.09 0.00 0.00 178.44 179.93 1p1x h LYS 61 N 1.19 0.69 0.00 1.13 3.64 -1.04 -1.19 116.57 120.99 1p1x h LYS 61 Ca 0.29 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1p1x h LYS 61 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1p1x h LYS 61 CO -0.04 0.79 -0.29 0.93 -2.27 0.00 0.00 179.45 178.57 1p1x h GLU 62 N 0.51 0.00 -0.34 1.90 5.08 -0.89 -1.73 114.58 119.10 1p1x h GLU 62 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1p1x h GLU 62 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1p1x h GLU 62 CO 0.02 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1p1x n GLN 63 N -3.88 1.79 -1.50 2.33 10.64 -0.83 -4.94 117.38 121.00 1p1x n GLN 63 Ca -0.02 -1.23 -0.02 0.00 -1.83 0.00 0.00 57.00 53.90 1p1x n GLN 63 Cb 0.37 -1.27 -0.01 0.00 -0.86 0.00 0.00 30.24 28.48 1p1x n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1p1x n GLY 64 N 1.05 0.43 2.62 2.61 0.00 -0.65 -4.96 105.19 106.28 1p1x n GLY 64 Ca 0.12 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1p1x n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p1x n THR 65 N -3.41 1.70 0.46 2.61 -2.24 -0.47 -4.88 114.28 108.05 1p1x n THR 65 Ca -0.02 -5.12 0.09 0.00 -2.27 0.00 0.00 64.05 56.74 1p1x n THR 65 Cb 0.27 -0.89 0.40 0.00 -2.10 0.00 0.00 70.33 68.01 1p1x n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1p1x n PRO 66 N -0.04 0.09 0.00 -0.78 -0.04 -1.24 -2.19 135.00 130.80 1p1x n PRO 66 Ca 0.28 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 64.20 1p1x n PRO 66 Cb 0.52 -1.67 0.58 0.00 -0.04 0.00 0.00 33.50 32.89 1p1x n PRO 66 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1p1x n GLU 67 N -1.84 0.23 -2.07 0.54 0.00 -1.26 -4.74 120.64 111.50 1p1x n GLU 67 Ca 0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 57.16 56.72 1p1x n GLU 67 Cb 0.20 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 1p1x n GLU 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1p1x s ILE 68 N -2.81 3.69 0.58 3.84 1.01 -0.93 -4.93 121.20 121.66 1p1x s ILE 68 Ca 0.19 0.84 -0.15 0.00 0.00 0.00 0.00 60.65 61.53 1p1x s ILE 68 Cb 0.19 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1p1x s ILE 68 CO 0.53 -0.07 1.03 -0.13 0.00 0.00 0.00 174.94 176.30 1p1x s ARG 69 N 3.95 3.49 -0.30 2.79 0.52 -0.67 -4.86 118.95 123.87 1p1x s ARG 69 Ca 0.70 1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 56.95 1p1x s ARG 69 Cb -0.31 -2.06 0.04 0.00 0.52 0.00 0.00 34.95 33.13 1p1x s ARG 69 CO 0.27 -0.66 0.02 0.42 0.02 0.00 0.00 175.30 175.37 1p1x s ILE 70 N -2.62 3.31 0.15 1.52 1.01 -1.26 -0.95 121.20 122.36 1p1x s ILE 70 Ca 0.61 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1p1x s ILE 70 Cb -0.14 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1p1x s ILE 70 CO 0.38 -0.02 0.28 0.00 0.00 0.00 0.00 174.94 175.58 1p1x s ALA 71 N 1.35 3.95 0.32 9.38 0.00 0.18 -0.75 121.76 136.17 1p1x s ALA 71 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1p1x s ALA 71 Cb -0.19 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 1p1x s ALA 71 CO -0.00 0.53 0.39 -2.37 0.00 0.00 0.00 175.76 174.31 1p1x n THR 72 N -0.55 0.00 -4.60 0.00 5.66 -0.73 -2.11 114.28 111.95 1p1x n THR 72 Ca -0.07 -1.82 -0.24 0.00 -3.05 0.00 0.00 64.05 58.87 1p1x n THR 72 Cb 0.54 1.04 -0.14 0.00 -1.55 0.00 0.00 70.33 70.22 1p1x n THR 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1p1x s VAL 73 N -2.93 1.47 0.09 1.08 -7.23 -1.26 -0.32 120.40 111.31 1p1x s VAL 73 Ca 0.30 -1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1p1x s VAL 73 Cb -0.00 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1p1x s VAL 73 CO 0.21 0.19 -0.01 0.42 -0.31 0.00 0.00 175.10 175.60 1p1x s THR 74 N -0.74 0.36 -1.39 5.32 -4.23 -0.77 -4.69 115.64 109.50 1p1x s THR 74 Ca 0.06 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1p1x s THR 74 Cb -0.08 -1.75 0.04 0.00 1.34 0.00 0.00 72.50 72.04 1p1x s THR 74 CO 0.01 -0.78 0.48 -3.20 -0.54 0.00 0.00 174.62 170.59 1p1x n ASN 75 N -0.02 -4.77 -4.35 3.99 5.15 -1.26 -1.70 115.26 112.30 1p1x n ASN 75 Ca -0.11 -0.28 -0.31 0.00 -0.60 0.00 0.00 54.58 53.28 1p1x n ASN 75 Cb 0.62 -3.91 -0.15 0.00 -0.53 0.00 0.00 39.78 35.81 1p1x n ASN 75 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1p1x s PHE 76 N -3.00 2.39 -1.81 1.20 2.19 -1.26 -1.39 117.98 116.30 1p1x s PHE 76 Ca 0.31 -0.38 0.27 0.00 0.33 0.00 0.00 56.93 57.46 1p1x s PHE 76 Cb -0.15 -1.48 0.90 0.00 -1.31 0.00 0.00 43.02 40.98 1p1x s PHE 76 CO 0.38 0.06 1.66 -0.35 1.83 0.00 0.00 175.22 178.80 1p1x n PRO 77 N 2.16 0.89 0.18 10.12 -0.04 -1.26 -4.93 135.00 142.13 1p1x n PRO 77 Ca -0.16 -0.48 0.05 0.00 -0.04 0.00 0.00 63.50 62.86 1p1x n PRO 77 Cb 0.51 -1.49 0.34 0.00 -0.04 0.00 0.00 33.50 32.82 1p1x n PRO 77 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1p1x h HIS 78 N 1.17 0.00 -4.56 0.54 2.07 -1.96 -3.48 115.15 108.94 1p1x h HIS 78 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 1p1x h HIS 78 Cb 0.47 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.55 1p1x h HIS 78 CO 0.00 0.39 -0.50 0.41 -3.07 0.00 0.00 177.93 175.16 1p1x n GLY 79 N 0.10 -0.16 3.68 6.13 0.00 -0.48 -4.88 105.19 109.58 1p1x n GLY 79 Ca -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1p1x n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1x s ASN 80 N -3.23 3.15 -0.28 1.61 0.01 -1.26 -4.04 114.94 110.90 1p1x s ASN 80 Ca 0.43 1.72 0.12 0.00 -0.71 0.00 0.00 52.86 54.43 1p1x s ASN 80 Cb -0.19 -2.35 0.78 0.00 0.41 0.00 0.00 41.25 39.90 1p1x s ASN 80 CO 0.53 -2.88 1.77 -0.90 -1.51 0.00 0.00 177.10 174.11 1p1x n ASP 81 N -4.06 5.24 -4.44 -1.22 5.68 -1.26 -4.53 116.55 111.95 1p1x n ASP 81 Ca 0.08 -3.09 -0.44 0.00 -0.50 0.00 0.00 54.79 50.85 1p1x n ASP 81 Cb 0.54 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 39.76 1p1x n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1p1x s ASP 82 N -0.98 6.23 0.19 -1.12 -1.08 -1.26 -4.92 116.67 113.73 1p1x s ASP 82 Ca 0.54 -0.93 -0.09 0.00 -0.52 0.00 0.00 52.55 51.55 1p1x s ASP 82 Cb 0.43 -2.33 0.09 0.00 -1.46 0.00 0.00 42.92 39.65 1p1x s ASP 82 CO 0.14 -1.05 1.68 0.40 0.52 0.00 0.00 175.17 176.86 1p1x h ILE 83 N 5.91 1.26 -0.66 4.11 2.04 -1.96 -2.15 117.51 126.07 1p1x h ILE 83 Ca -0.28 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.57 1p1x h ILE 83 Cb 1.09 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1p1x h ILE 83 CO 1.04 0.39 0.39 0.44 0.00 0.00 0.00 178.15 180.41 1p1x h ASP 84 N 1.02 0.62 -0.19 1.72 3.32 -1.99 0.34 116.42 121.26 1p1x h ASP 84 Ca 0.20 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1p1x h ASP 84 Cb 0.46 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1p1x h ASP 84 CO 0.02 0.42 -0.00 0.40 -1.72 0.00 0.00 179.24 178.35 1p1x h ILE 85 N 0.75 1.26 -0.77 0.35 2.04 -1.94 -0.92 117.51 118.28 1p1x h ILE 85 Ca 0.28 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1p1x h ILE 85 Cb 0.09 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1p1x h ILE 85 CO -0.14 0.26 0.50 0.00 0.00 0.00 0.00 178.15 178.77 1p1x h ALA 86 N 0.78 1.00 -0.38 1.87 0.00 -1.09 -1.20 119.26 120.23 1p1x h ALA 86 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1p1x h ALA 86 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1p1x h ALA 86 CO 0.01 0.33 -0.13 1.25 0.00 0.00 0.00 179.25 180.71 1p1x h LEU 87 N 0.99 0.77 -0.76 0.00 5.85 -0.88 -1.41 115.31 119.86 1p1x h LEU 87 Ca 0.30 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1p1x h LEU 87 Cb -0.04 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1p1x h LEU 87 CO -0.09 0.98 0.46 0.00 -0.34 0.00 0.00 178.44 179.45 1p1x h ALA 88 N 0.82 0.97 -0.79 1.25 0.00 -0.74 0.11 119.26 120.88 1p1x h ALA 88 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1p1x h ALA 88 Cb 0.66 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1p1x h ALA 88 CO 0.04 0.44 0.35 0.93 0.00 0.00 0.00 179.25 181.01 1p1x h GLU 89 N 1.04 1.16 -0.39 0.00 5.08 -1.14 -0.69 114.58 119.64 1p1x h GLU 89 Ca 0.27 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1p1x h GLU 89 Cb -0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1p1x h GLU 89 CO -0.05 0.92 0.05 1.15 -1.00 0.00 0.00 179.01 180.08 1p1x h THR 90 N 1.13 1.25 -0.96 1.13 2.02 -0.82 0.14 112.91 116.79 1p1x h THR 90 Ca 0.27 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1p1x h THR 90 Cb 0.16 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1p1x h THR 90 CO -0.03 0.30 0.63 0.03 0.37 0.00 0.00 175.52 176.83 1p1x h ARG 91 N 0.50 1.27 -0.41 6.66 3.08 -0.58 -1.08 114.38 123.82 1p1x h ARG 91 Ca 0.12 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1p1x h ARG 91 Cb 0.39 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1p1x h ARG 91 CO 0.01 0.85 0.02 0.00 -1.07 0.00 0.00 179.97 179.77 1p1x h ALA 92 N 1.39 0.55 -0.60 0.04 0.00 -0.76 -1.13 119.26 118.75 1p1x h ALA 92 Ca 0.35 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1p1x h ALA 92 Cb -0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 1p1x h ALA 92 CO -0.08 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.77 1p1x h ALA 93 N 0.90 0.78 -0.35 0.00 0.00 -0.60 0.50 119.26 120.50 1p1x h ALA 93 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1p1x h ALA 93 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1p1x h ALA 93 CO 0.02 -0.10 0.22 0.82 0.00 0.00 0.00 179.25 180.21 1p1x h ILE 94 N 0.51 1.10 -0.45 0.00 2.04 -1.02 -1.73 117.51 117.96 1p1x h ILE 94 Ca 0.28 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 1p1x h ILE 94 Cb 0.27 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1p1x h ILE 94 CO -0.23 0.09 0.05 0.00 0.00 0.00 0.00 178.15 178.06 1p1x h ALA 95 N 1.12 1.25 0.00 1.87 0.00 -0.44 -1.42 119.26 121.63 1p1x h ALA 95 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1p1x h ALA 95 Cb -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1p1x h ALA 95 CO -0.03 0.51 -0.08 1.88 0.00 0.00 0.00 179.25 181.53 1p1x h TYR 96 N 0.67 0.00 0.00 0.00 0.05 -0.74 -3.46 116.97 113.49 1p1x h TYR 96 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1p1x h TYR 96 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1p1x h TYR 96 CO 0.02 0.08 0.00 0.41 -1.05 0.00 0.00 178.16 177.62 1p1x n GLY 97 N -1.22 1.83 3.70 3.88 0.00 -0.54 -4.28 105.19 108.56 1p1x n GLY 97 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1p1x n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p1x n ALA 98 N -0.12 1.24 0.02 4.61 0.00 -0.67 -4.92 120.51 120.67 1p1x n ALA 98 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1p1x n ALA 98 Cb 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.06 1p1x n ALA 98 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p1x h ASP 99 N 1.83 0.00 -4.18 0.00 3.32 -1.30 -3.46 116.42 112.64 1p1x h ASP 99 Ca -0.48 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.40 1p1x h ASP 99 Cb 1.30 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.61 1p1x h ASP 99 CO 0.59 0.94 -0.46 -1.61 -1.72 0.00 0.00 179.24 176.98 1p1x s GLU 100 N -2.68 0.33 -0.09 3.56 2.02 -0.94 -2.15 118.70 118.75 1p1x s GLU 100 Ca -0.02 0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.10 1p1x s GLU 100 Cb 0.09 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.47 1p1x s GLU 100 CO 0.82 -0.06 -0.21 0.08 0.02 0.00 0.00 175.26 175.90 1p1x s VAL 101 N -0.36 1.86 -0.42 2.63 1.01 -0.14 -1.77 120.40 123.22 1p1x s VAL 101 Ca -0.05 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1p1x s VAL 101 Cb -0.03 -1.62 0.10 0.00 0.00 0.00 0.00 36.38 34.82 1p1x s VAL 101 CO 0.01 0.52 0.24 -1.81 0.00 0.00 0.00 175.10 174.06 1p1x s ASP 102 N 0.44 5.47 -0.01 3.32 1.11 0.56 -0.53 116.67 127.02 1p1x s ASP 102 Ca -0.17 -1.75 -0.08 0.00 0.18 0.00 0.00 52.55 50.73 1p1x s ASP 102 Cb -0.17 -1.92 -0.05 0.00 1.07 0.00 0.00 42.92 41.85 1p1x s ASP 102 CO 0.07 -0.55 0.27 0.54 1.18 0.00 0.00 175.17 176.68 1p1x s VAL 103 N 1.31 5.29 -0.17 -1.27 0.11 -0.11 -1.85 120.40 123.71 1p1x s VAL 103 Ca 0.05 0.28 -0.25 0.00 -2.93 0.00 0.00 61.98 59.13 1p1x s VAL 103 Cb -0.23 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1p1x s VAL 103 CO -0.01 0.44 0.83 -0.69 -3.33 0.00 0.00 175.10 172.34 1p1x s VAL 104 N -1.22 4.88 0.60 2.04 1.01 -0.69 -0.65 120.40 126.37 1p1x s VAL 104 Ca 0.25 1.63 -0.19 0.00 0.00 0.00 0.00 61.98 63.67 1p1x s VAL 104 Cb -0.13 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1p1x s VAL 104 CO 0.14 0.03 1.29 0.12 0.00 0.00 0.00 175.10 176.67 1p1x s PHE 105 N 2.14 2.24 -1.34 5.22 5.36 0.11 -4.63 117.98 127.08 1p1x s PHE 105 Ca 0.38 1.46 -0.17 0.00 -0.96 0.00 0.00 56.93 57.64 1p1x s PHE 105 Cb -0.17 -3.67 0.05 0.00 -0.34 0.00 0.00 43.02 38.89 1p1x s PHE 105 CO 0.12 -2.72 1.92 -0.35 -1.46 0.00 0.00 175.22 172.73 1p1x n PRO 106 N -1.52 3.00 0.00 10.12 -0.04 -1.26 -4.58 135.00 140.72 1p1x n PRO 106 Ca 0.13 -2.99 -0.09 0.00 -0.04 0.00 0.00 63.50 60.51 1p1x n PRO 106 Cb 0.47 -3.42 0.07 0.00 -0.04 0.00 0.00 33.50 30.58 1p1x n PRO 106 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1p1x h TYR 107 N 7.11 0.69 -0.43 0.54 -0.00 -1.86 -2.49 116.97 120.53 1p1x h TYR 107 Ca 0.48 -0.23 -0.07 0.00 0.00 0.00 0.00 58.73 58.91 1p1x h TYR 107 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 36.73 37.37 1p1x h TYR 107 CO 1.43 0.95 -0.02 0.00 -0.00 0.00 0.00 178.16 180.53 1p1x h ARG 108 N 0.44 0.71 -0.67 0.10 3.08 -1.85 -0.91 114.38 115.27 1p1x h ARG 108 Ca 0.02 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1p1x h ARG 108 Cb 1.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1p1x h ARG 108 CO 0.10 0.73 0.19 0.00 -1.07 0.00 0.00 179.97 179.92 1p1x h ALA 109 N 1.32 0.88 -0.61 0.04 0.00 -1.81 -1.45 119.26 117.64 1p1x h ALA 109 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p1x h ALA 109 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1p1x h ALA 109 CO 0.02 0.58 0.40 1.25 0.00 0.00 0.00 179.25 181.49 1p1x h LEU 110 N 0.99 0.70 -1.95 0.00 5.85 -1.09 -0.52 115.31 119.28 1p1x h LEU 110 Ca 0.21 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1p1x h LEU 110 Cb 0.33 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1p1x h LEU 110 CO -0.00 0.51 -0.04 0.24 -0.34 0.00 0.00 178.44 178.81 1p1x h MET 111 N 0.82 0.00 -0.35 1.25 2.86 -0.76 -0.44 114.93 118.31 1p1x h MET 111 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1p1x h MET 111 Cb -0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1p1x h MET 111 CO -0.05 0.04 0.00 0.00 1.06 0.00 0.00 176.91 177.96 1p1x n ALA 112 N -2.52 2.47 -0.16 6.32 0.00 -0.58 -4.93 120.51 121.11 1p1x n ALA 112 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1p1x n ALA 112 Cb 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1p1x n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1x n GLY 113 N 1.00 0.73 3.26 0.00 0.00 -0.17 -5.04 105.19 104.96 1p1x n GLY 113 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1p1x n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p1x s ASN 114 N -2.57 6.02 0.21 1.61 3.84 -0.25 -4.89 114.94 118.92 1p1x s ASN 114 Ca 0.00 -1.98 0.15 0.00 0.21 0.00 0.00 52.86 51.24 1p1x s ASN 114 Cb 0.00 -2.12 -0.01 0.00 -0.55 0.00 0.00 41.25 38.58 1p1x s ASN 114 CO 0.00 -0.74 1.28 -0.33 -2.79 0.00 0.00 177.10 174.51 1p1x h GLU 115 N 8.52 0.00 -0.25 0.43 5.08 -1.87 -3.13 114.58 123.37 1p1x h GLU 115 Ca -0.21 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 1p1x h GLU 115 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1p1x h GLU 115 CO 0.93 0.48 -0.50 0.37 -1.00 0.00 0.00 179.01 179.28 1p1x h GLN 116 N 0.00 0.78 -0.47 2.33 5.75 -1.97 -3.08 115.11 118.45 1p1x h GLN 116 Ca -0.04 -0.51 -0.05 0.00 -0.15 0.00 0.00 58.65 57.90 1p1x h GLN 116 Cb 1.46 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 30.05 1p1x h GLN 116 CO 0.06 1.13 0.08 -0.24 -2.65 0.00 0.00 178.83 177.22 1p1x h VAL 117 N 0.53 1.21 -0.59 2.39 3.04 -1.98 -0.64 116.25 120.20 1p1x h VAL 117 Ca 0.01 -0.80 -0.10 0.00 -1.01 0.00 0.00 66.70 64.80 1p1x h VAL 117 Cb 1.11 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 1p1x h VAL 117 CO 0.11 0.29 -0.01 1.23 -1.01 0.00 0.00 177.57 178.19 1p1x h GLY 118 N 0.92 1.12 0.83 3.17 0.00 -1.77 0.44 103.07 107.78 1p1x h GLY 118 Ca 0.15 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.67 1p1x h GLY 118 CO 0.00 0.76 -0.08 -2.75 0.00 0.00 0.00 176.54 174.47 1p1x h PHE 119 N 0.95 -0.19 -0.60 5.60 3.57 -1.37 -1.76 116.94 123.13 1p1x h PHE 119 Ca 0.17 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1p1x h PHE 119 Cb 0.56 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1p1x h PHE 119 CO 0.04 -0.12 0.09 -0.44 -2.23 0.00 0.00 178.31 175.64 1p1x h ASP 120 N -0.15 0.94 -0.03 0.41 3.32 -0.90 -0.29 116.42 119.72 1p1x h ASP 120 Ca 0.02 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1p1x h ASP 120 Cb 0.17 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1p1x h ASP 120 CO -0.06 0.95 -0.01 0.25 -1.72 0.00 0.00 179.24 178.65 1p1x h LEU 121 N 0.93 0.05 -0.70 1.55 6.46 -0.83 -1.67 115.31 121.10 1p1x h LEU 121 Ca 0.19 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1p1x h LEU 121 Cb 0.42 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1p1x h LEU 121 CO 0.01 0.40 0.40 0.58 -0.62 0.00 0.00 178.44 179.21 1p1x h VAL 122 N -0.30 1.21 -0.62 1.05 2.07 -1.23 -2.07 116.25 116.37 1p1x h VAL 122 Ca 0.01 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1p1x h VAL 122 Cb 0.38 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1p1x h VAL 122 CO 0.00 0.22 0.31 0.50 0.02 0.00 0.00 177.57 178.63 1p1x h LYS 123 N 0.95 0.88 -0.58 1.57 3.64 -0.98 0.21 116.57 122.26 1p1x h LYS 123 Ca 0.25 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1p1x h LYS 123 Cb 0.01 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1p1x h LYS 123 CO -0.04 0.69 0.29 0.00 -2.27 0.00 0.00 179.45 178.13 1p1x h ALA 124 N 1.14 0.75 -0.21 5.00 0.00 -1.10 -1.05 119.26 123.78 1p1x h ALA 124 Ca 0.21 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1p1x h ALA 124 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1p1x h ALA 124 CO -0.03 0.29 -0.49 0.00 0.00 0.00 0.00 179.25 179.02 1p1x h LYS 126 N 0.45 0.90 -0.71 0.00 1.63 -0.31 -1.15 116.57 117.37 1p1x h LYS 126 Ca 0.02 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1p1x h LYS 126 Cb 1.02 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.45 1p1x h LYS 126 CO 0.09 0.71 0.47 0.93 -3.45 0.00 0.00 179.45 178.20 1p1x h GLU 127 N 0.86 0.94 -0.27 1.90 5.08 -1.06 0.11 114.58 122.15 1p1x h GLU 127 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1p1x h GLU 127 Cb 0.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1p1x h GLU 127 CO -0.03 0.62 0.10 0.00 -1.00 0.00 0.00 179.01 178.70 1p1x h ALA 128 N 1.26 0.35 -0.26 3.43 0.00 -1.28 -2.58 119.26 120.18 1p1x h ALA 128 Ca 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1p1x h ALA 128 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1p1x h ALA 128 CO -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.21 1p1x h ALA 130 N 0.87 1.52 0.00 0.00 0.00 -0.78 -0.48 119.26 120.40 1p1x h ALA 130 Ca 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1p1x h ALA 130 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1p1x h ALA 130 CO 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 179.25 179.44 1p1x h ALA 131 N 1.60 1.27 -0.48 0.00 0.00 -1.32 -2.00 119.26 118.34 1p1x h ALA 131 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p1x h ALA 131 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p1x h ALA 131 CO -0.02 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1p1x n ALA 132 N -2.31 2.40 -3.68 0.00 0.00 -0.50 -4.97 120.51 111.45 1p1x n ALA 132 Ca -0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 53.44 52.10 1p1x n ALA 132 Cb 0.31 -0.86 0.06 0.00 0.00 0.00 0.00 19.45 18.95 1p1x n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p1x n ASN 133 N 1.50 -4.47 -4.47 0.00 3.02 -0.74 -5.00 115.26 105.10 1p1x n ASN 133 Ca 0.20 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.76 1p1x n ASN 133 Cb 0.60 -4.58 -0.13 0.00 -0.61 0.00 0.00 39.78 35.06 1p1x n ASN 133 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p1x s VAL 134 N -3.37 3.35 0.32 2.41 1.01 -0.31 -4.99 120.40 118.82 1p1x s VAL 134 Ca 0.43 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1p1x s VAL 134 Cb -0.20 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 1p1x s VAL 134 CO 0.77 0.56 0.95 -0.76 0.00 0.00 0.00 175.10 176.62 1p1x s LEU 135 N -0.23 4.34 -0.21 3.92 1.43 -0.92 -3.96 118.68 123.06 1p1x s LEU 135 Ca 0.02 1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1p1x s LEU 135 Cb -0.13 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1p1x s LEU 135 CO 0.03 -0.07 -0.09 -0.22 0.23 0.00 0.00 176.35 176.23 1p1x s LEU 136 N -2.05 2.69 0.03 1.79 2.96 -1.26 -0.96 118.68 121.87 1p1x s LEU 136 Ca 0.50 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1p1x s LEU 136 Cb -0.19 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1p1x s LEU 136 CO 0.24 -0.02 0.17 -0.54 -1.32 0.00 0.00 176.35 174.88 1p1x s LYS 137 N 1.42 3.33 -0.16 1.98 1.02 0.30 -0.72 119.74 126.91 1p1x s LYS 137 Ca 0.05 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.62 1p1x s LYS 137 Cb -0.14 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1p1x s LYS 137 CO -0.06 0.63 -0.18 0.08 -0.92 0.00 0.00 175.35 174.90 1p1x s VAL 138 N -1.39 1.89 -0.34 3.17 1.01 -0.42 -0.93 120.40 123.39 1p1x s VAL 138 Ca 0.30 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1p1x s VAL 138 Cb -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1p1x s VAL 138 CO 0.22 0.51 0.71 -0.63 0.00 0.00 0.00 175.10 175.92 1p1x s ILE 139 N 1.28 4.83 -0.45 2.22 1.01 0.18 -0.60 121.20 129.67 1p1x s ILE 139 Ca 0.03 0.85 0.23 0.00 0.00 0.00 0.00 60.65 61.75 1p1x s ILE 139 Cb -0.13 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 1p1x s ILE 139 CO -0.11 -0.31 0.96 2.30 0.00 0.00 0.00 174.94 177.78 1p1x n ILE 140 N 5.61 0.25 -2.74 2.92 -5.35 -0.68 -0.71 119.36 118.67 1p1x n ILE 140 Ca 0.01 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 1p1x n ILE 140 Cb 0.48 0.05 0.04 0.00 -1.74 0.00 0.00 39.64 38.48 1p1x n ILE 140 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1p1x n GLU 141 N -2.17 -1.50 -0.12 6.28 4.07 -0.22 -4.75 120.64 122.23 1p1x n GLU 141 Ca 0.01 0.74 0.15 0.00 -0.06 0.00 0.00 57.16 58.00 1p1x n GLU 141 Cb 0.48 -4.62 0.53 0.00 -0.06 0.00 0.00 31.44 27.77 1p1x n GLU 141 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1p1x h THR 142 N -0.57 0.81 0.00 6.31 1.35 -1.37 -1.06 112.91 118.38 1p1x h THR 142 Ca -0.36 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.34 1p1x h THR 142 Cb 1.18 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1p1x h THR 142 CO 0.30 0.06 -0.19 1.23 -0.25 0.00 0.00 175.52 176.67 1p1x h GLY 143 N 0.35 0.00 0.63 5.82 0.00 -1.80 -0.62 103.07 107.45 1p1x h GLY 143 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.31 1p1x h GLY 143 CO -0.09 0.00 -1.98 1.18 0.00 0.00 0.00 176.54 175.64 1p1x n GLU 144 N -3.50 0.72 -0.24 4.80 -0.58 -0.55 -4.32 120.64 116.97 1p1x n GLU 144 Ca -0.01 0.25 -0.06 0.00 -0.42 0.00 0.00 57.16 56.93 1p1x n GLU 144 Cb 0.35 -1.71 0.05 0.00 -0.57 0.00 0.00 31.44 29.56 1p1x n GLU 144 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1p1x h LEU 145 N 0.05 0.82 0.00 -4.62 3.38 -1.14 -3.45 115.31 110.34 1p1x h LEU 145 Ca -0.41 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1p1x h LEU 145 Cb 2.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1p1x h LEU 145 CO 0.07 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.55 1p1x n LYS 146 N -4.54 0.00 -2.49 1.13 5.02 -0.25 -4.85 118.16 112.17 1p1x n LYS 146 Ca 0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1p1x n LYS 146 Cb 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.04 1p1x n LYS 146 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p1x s ASP 147 N 0.00 7.27 0.21 4.39 1.01 -1.26 -4.93 116.67 123.36 1p1x s ASP 147 Ca 0.00 2.20 -0.10 0.00 0.71 0.00 0.00 52.55 55.36 1p1x s ASP 147 Cb 0.00 -2.62 0.28 0.00 1.01 0.00 0.00 42.92 41.59 1p1x s ASP 147 CO 0.00 -0.17 1.72 -0.08 0.21 0.00 0.00 175.17 176.85 1p1x h GLU 148 N 4.35 0.31 -0.70 8.23 4.81 -1.98 -0.98 114.58 128.61 1p1x h GLU 148 Ca -0.46 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1p1x h GLU 148 Cb 1.21 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1p1x h GLU 148 CO 0.69 0.20 0.41 0.00 -0.73 0.00 0.00 179.01 179.58 1p1x h ALA 149 N 1.45 1.39 -0.11 2.92 0.00 -1.97 -0.61 119.26 122.33 1p1x h ALA 149 Ca 0.31 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1p1x h ALA 149 Cb 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1p1x h ALA 149 CO -0.36 0.51 -0.72 -0.07 0.00 0.00 0.00 179.25 178.62 1p1x h LEU 150 N 0.97 0.61 -0.43 0.00 3.38 -1.67 -0.75 115.31 117.42 1p1x h LEU 150 Ca 0.25 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1p1x h LEU 150 Cb -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1p1x h LEU 150 CO -0.04 1.14 0.26 0.40 0.09 0.00 0.00 178.44 180.29 1p1x h ILE 151 N 0.36 1.14 -0.38 1.22 2.04 -0.78 -0.09 117.51 121.02 1p1x h ILE 151 Ca -0.03 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1p1x h ILE 151 Cb 1.30 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1p1x h ILE 151 CO 0.13 0.14 0.22 0.03 0.00 0.00 0.00 178.15 178.67 1p1x h ARG 152 N 0.57 0.52 -0.34 2.37 3.08 -1.05 -1.93 114.38 117.61 1p1x h ARG 152 Ca 0.16 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1p1x h ARG 152 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1p1x h ARG 152 CO -0.03 0.41 0.09 -0.22 -1.07 0.00 0.00 179.97 179.15 1p1x h LYS 153 N 0.49 0.53 -0.87 0.04 1.63 -0.85 0.16 116.57 117.70 1p1x h LYS 153 Ca 0.13 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1p1x h LYS 153 Cb 0.03 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1p1x h LYS 153 CO -0.02 0.58 0.45 0.00 -3.45 0.00 0.00 179.45 177.00 1p1x h ALA 154 N 0.93 1.12 -0.22 5.00 0.00 -0.98 -0.18 119.26 124.94 1p1x h ALA 154 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1p1x h ALA 154 Cb 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1p1x h ALA 154 CO -0.00 0.66 0.14 0.77 0.00 0.00 0.00 179.25 180.82 1p1x h SER 155 N 1.24 0.25 0.02 0.00 0.02 -1.06 -1.65 113.55 112.37 1p1x h SER 155 Ca 0.30 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1p1x h SER 155 Cb 0.08 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1p1x h SER 155 CO -0.04 0.18 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.74 1p1x h GLU 156 N 0.29 -0.02 -0.36 3.45 4.81 -0.64 -0.82 114.58 121.29 1p1x h GLU 156 Ca 0.08 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1p1x h GLU 156 Cb -0.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1p1x h GLU 156 CO -0.02 0.00 0.19 0.82 -0.73 0.00 0.00 179.01 179.27 1p1x h ILE 157 N -0.04 0.99 -0.51 2.32 2.04 -1.01 -0.36 117.51 120.94 1p1x h ILE 157 Ca -0.00 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1p1x h ILE 157 Cb 0.04 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1p1x h ILE 157 CO 0.00 0.07 0.32 0.28 0.00 0.00 0.00 178.15 178.82 1p1x h SER 158 N 0.38 0.54 -0.39 1.72 0.02 -1.11 -0.65 113.55 114.06 1p1x h SER 158 Ca 0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1p1x h SER 158 Cb 0.05 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1p1x h SER 158 CO -0.10 0.38 0.15 0.40 -1.14 0.00 0.00 176.83 176.53 1p1x h ILE 159 N 0.65 1.20 -0.57 3.27 2.04 -0.86 -0.61 117.51 122.62 1p1x h ILE 159 Ca 0.19 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1p1x h ILE 159 Cb -0.03 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1p1x h ILE 159 CO -0.06 0.22 0.37 0.11 0.00 0.00 0.00 178.15 178.78 1p1x h LYS 160 N 0.49 0.75 -0.00 2.37 1.57 -0.73 -1.60 116.57 119.43 1p1x h LYS 160 Ca 0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1p1x h LYS 160 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1p1x h LYS 160 CO -0.01 0.51 -0.03 0.00 -0.57 0.00 0.00 179.45 179.35 1p1x n ALA 161 N -2.45 2.52 0.00 3.86 0.00 -0.28 -4.91 120.51 119.25 1p1x n ALA 161 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1p1x n ALA 161 Cb 0.05 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1p1x n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1x n GLY 162 N 1.33 1.35 3.65 0.00 0.00 -0.60 -3.92 105.19 107.00 1p1x n GLY 162 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1p1x n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p1x n ALA 163 N -0.83 0.69 0.11 4.61 0.00 -0.28 -4.89 120.51 119.92 1p1x n ALA 163 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1p1x n ALA 163 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.25 1p1x n ALA 163 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p1x h ASP 164 N 3.57 0.00 -4.99 0.00 3.32 -1.18 -3.45 116.42 113.70 1p1x h ASP 164 Ca -0.44 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 1p1x h ASP 164 Cb 1.29 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.64 1p1x h ASP 164 CO 0.71 0.26 -0.56 -0.36 -1.72 0.00 0.00 179.24 177.57 1p1x s PHE 165 N -3.14 0.12 -0.10 4.55 0.40 -1.10 -1.02 117.98 117.69 1p1x s PHE 165 Ca 0.01 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1p1x s PHE 165 Cb 0.08 -0.10 -0.02 0.00 0.51 0.00 0.00 43.02 43.50 1p1x s PHE 165 CO 0.77 -0.26 -0.15 0.96 0.70 0.00 0.00 175.22 177.24 1p1x s ILE 166 N -1.45 2.93 -0.03 0.64 -4.36 -0.38 -1.30 121.20 117.25 1p1x s ILE 166 Ca -0.15 -0.73 0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1p1x s ILE 166 Cb -0.08 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1p1x s ILE 166 CO 0.01 0.55 -0.22 -0.75 0.24 0.00 0.00 174.94 174.77 1p1x s LYS 167 N -0.03 1.95 0.10 0.37 2.20 0.23 -1.52 119.74 123.05 1p1x s LYS 167 Ca -0.04 -0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 54.61 1p1x s LYS 167 Cb -0.14 -1.80 -0.06 0.00 -1.51 0.00 0.00 37.83 34.32 1p1x s LYS 167 CO 0.04 0.42 1.56 1.79 -0.36 0.00 0.00 175.35 178.81 1p1x h THR 168 N 4.79 1.24 -3.11 3.43 1.35 -1.58 -1.80 112.91 117.23 1p1x h THR 168 Ca -0.37 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 64.60 1p1x h THR 168 Cb 1.15 1.22 -0.13 0.00 -1.73 0.00 0.00 68.15 68.65 1p1x h THR 168 CO 0.47 0.27 0.05 -0.44 -0.25 0.00 0.00 175.52 175.63 1p1x s SER 169 N -5.94 -0.40 0.30 5.36 0.01 -1.26 -0.96 113.70 110.81 1p1x s SER 169 Ca -0.13 -0.09 0.20 0.00 1.31 0.00 0.00 55.95 57.23 1p1x s SER 169 Cb 0.08 0.52 0.14 0.00 0.21 0.00 0.00 66.02 66.97 1p1x s SER 169 CO 0.75 -0.86 1.37 0.71 0.41 0.00 0.00 173.24 175.62 1p1x h THR 170 N 2.33 0.33 0.00 1.44 1.35 -1.93 -3.44 112.91 113.00 1p1x h THR 170 Ca -0.33 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1p1x h THR 170 Cb 1.27 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1p1x h THR 170 CO 0.42 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1p1x n GLY 171 N 1.19 0.82 0.14 5.82 0.00 -1.26 -4.91 105.19 106.99 1p1x n GLY 171 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1p1x n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p1x n LYS 172 N -2.27 0.19 -4.45 1.61 4.76 -1.26 -4.98 118.16 111.76 1p1x n LYS 172 Ca 0.00 -0.90 -0.29 0.00 -2.87 0.00 0.00 58.31 54.25 1p1x n LYS 172 Cb 0.00 -1.07 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 1p1x n LYS 172 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1p1x s VAL 173 N -0.42 1.59 0.21 -0.18 -7.23 -1.26 -5.06 120.40 108.05 1p1x s VAL 173 Ca 0.04 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1p1x s VAL 173 Cb 0.03 -2.43 0.07 0.00 0.56 0.00 0.00 36.38 34.61 1p1x s VAL 173 CO 0.04 0.00 1.67 0.00 -0.31 0.00 0.00 175.10 176.50 1p1x h ALA 174 N 1.30 0.92 -3.21 1.32 0.00 -1.94 -3.41 119.26 114.24 1p1x h ALA 174 Ca -0.42 -0.32 -0.67 0.00 0.00 0.00 0.00 54.91 53.50 1p1x h ALA 174 Cb 1.29 -0.20 -0.33 0.00 0.00 0.00 0.00 17.79 18.56 1p1x h ALA 174 CO 0.71 0.63 -0.85 0.08 0.00 0.00 0.00 179.25 179.83 1p1x s VAL 175 N -4.90 2.26 0.00 0.00 1.01 -1.26 -5.10 120.40 112.41 1p1x s VAL 175 Ca -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1p1x s VAL 175 Cb 0.14 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1p1x s VAL 175 CO 0.84 0.54 0.00 0.59 0.00 0.00 0.00 175.10 177.07 1p1x n ASN 176 N 4.02 0.00 -4.77 3.32 3.02 -1.26 -3.69 115.26 115.91 1p1x n ASN 176 Ca -0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.96 1p1x n ASN 176 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1p1x n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p1x s ALA 177 N -2.05 3.23 0.09 5.41 0.00 -0.92 -4.55 121.76 122.97 1p1x s ALA 177 Ca 0.00 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1p1x s ALA 177 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1p1x s ALA 177 CO 0.00 -1.05 -0.07 0.95 0.00 0.00 0.00 175.76 175.58 1p1x s THR 178 N -1.23 0.70 0.26 0.00 -4.23 -1.26 -4.90 115.64 104.98 1p1x s THR 178 Ca 0.60 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1p1x s THR 178 Cb -0.41 -1.38 0.27 0.00 1.34 0.00 0.00 72.50 72.31 1p1x s THR 178 CO 0.53 -0.71 1.91 -0.65 -0.54 0.00 0.00 174.62 175.16 1p1x h PRO 179 N 3.41 1.23 -0.45 3.99 0.11 -1.97 -1.13 132.00 137.20 1p1x h PRO 179 Ca -0.36 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1p1x h PRO 179 Cb 1.18 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1p1x h PRO 179 CO 0.57 0.81 0.21 1.49 -0.21 0.00 0.00 178.00 180.88 1p1x h GLU 180 N 1.26 0.64 -0.88 1.05 4.81 -1.99 -0.40 114.58 119.08 1p1x h GLU 180 Ca 0.39 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1p1x h GLU 180 Cb -0.02 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1p1x h GLU 180 CO -0.12 0.55 0.47 0.77 -0.73 0.00 0.00 179.01 179.96 1p1x h SER 181 N 0.58 1.10 -0.44 1.04 0.02 -1.87 -1.02 113.55 112.96 1p1x h SER 181 Ca 0.15 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1p1x h SER 181 Cb 0.13 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1p1x h SER 181 CO -0.02 0.90 0.25 0.00 -1.14 0.00 0.00 176.83 176.82 1p1x h ALA 182 N 1.28 0.56 -0.47 3.77 0.00 -0.92 -1.48 119.26 122.00 1p1x h ALA 182 Ca 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1p1x h ALA 182 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1p1x h ALA 182 CO -0.05 0.07 0.26 -0.09 0.00 0.00 0.00 179.25 179.45 1p1x h ARG 183 N 0.58 0.66 -0.06 0.00 2.43 -0.63 -0.43 114.38 116.93 1p1x h ARG 183 Ca 0.16 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1p1x h ARG 183 Cb 0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1p1x h ARG 183 CO -0.03 0.51 0.00 0.82 -1.51 0.00 0.00 179.97 179.77 1p1x h ILE 184 N 0.63 0.96 -0.59 1.20 2.04 -1.01 0.60 117.51 121.34 1p1x h ILE 184 Ca 0.17 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.95 1p1x h ILE 184 Cb 0.04 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1p1x h ILE 184 CO -0.03 0.00 0.11 0.24 0.00 0.00 0.00 178.15 178.48 1p1x h MET 185 N 0.02 0.96 -0.21 2.37 2.86 -1.08 -1.94 114.93 117.90 1p1x h MET 185 Ca 0.03 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1p1x h MET 185 Cb 0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1p1x h MET 185 CO -0.05 0.90 -0.14 0.52 1.06 0.00 0.00 176.91 179.21 1p1x h MET 186 N 0.86 0.35 -0.29 1.72 2.86 -0.89 -2.05 114.93 117.48 1p1x h MET 186 Ca 0.18 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1p1x h MET 186 Cb 0.40 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1p1x h MET 186 CO 0.01 0.49 0.05 0.93 1.06 0.00 0.00 176.91 179.45 1p1x h GLU 187 N 0.33 0.43 -0.37 1.72 5.08 -0.39 -0.84 114.58 120.53 1p1x h GLU 187 Ca 0.06 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1p1x h GLU 187 Cb 0.45 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1p1x h GLU 187 CO 0.03 0.42 0.09 0.28 -1.00 0.00 0.00 179.01 178.83 1p1x h VAL 188 N 0.42 1.22 -0.59 3.13 2.07 -0.67 0.14 116.25 121.98 1p1x h VAL 188 Ca 0.10 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1p1x h VAL 188 Cb 0.20 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1p1x h VAL 188 CO -0.00 0.26 0.25 0.40 0.02 0.00 0.00 177.57 178.50 1p1x h ILE 189 N 0.45 0.84 -0.10 4.57 2.04 -1.04 -0.95 117.51 123.32 1p1x h ILE 189 Ca 0.12 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1p1x h ILE 189 Cb 0.30 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1p1x h ILE 189 CO 0.00 0.08 0.05 -0.09 0.00 0.00 0.00 178.15 178.20 1p1x h ARG 190 N 0.46 0.14 -0.04 2.37 2.43 -0.95 -1.79 114.38 117.00 1p1x h ARG 190 Ca 0.28 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 1p1x h ARG 190 Cb 0.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1p1x h ARG 190 CO -0.25 0.18 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.64 1p1x h ASP 191 N 0.06 0.07 0.39 -3.80 3.32 -0.23 -1.69 116.42 114.53 1p1x h ASP 191 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1p1x h ASP 191 Cb 0.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1p1x h ASP 191 CO -0.01 0.38 -0.30 0.23 -1.72 0.00 0.00 179.24 177.82 1p1x n MET 192 N -4.15 0.48 -2.52 3.56 2.81 -0.40 -4.97 117.12 111.93 1p1x n MET 192 Ca -0.02 -0.25 -0.15 0.00 -1.81 0.00 0.00 57.70 55.47 1p1x n MET 192 Cb 0.37 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 1p1x n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p1x n GLY 193 N 1.39 -0.19 1.31 3.03 0.00 -0.64 -4.91 105.19 105.18 1p1x n GLY 193 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1p1x n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p1x n VAL 194 N -4.07 2.58 -0.29 1.61 0.24 -0.75 -4.68 118.33 112.97 1p1x n VAL 194 Ca -0.13 -2.11 0.19 0.00 -2.04 0.00 0.00 64.34 60.25 1p1x n VAL 194 Cb 0.61 -0.31 0.47 0.00 -1.47 0.00 0.00 33.84 33.14 1p1x n VAL 194 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1p1x h GLU 195 N 1.70 0.47 -0.02 7.34 3.07 -1.84 -1.27 114.58 124.02 1p1x h GLU 195 Ca 0.17 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.88 1p1x h GLU 195 Cb 1.80 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.59 1p1x h GLU 195 CO 0.45 0.31 -0.57 -0.22 -1.40 0.00 0.00 179.01 177.57 1p1x h LYS 196 N 0.48 0.07 -0.00 2.33 3.64 -1.96 -3.37 116.57 117.76 1p1x h LYS 196 Ca 0.53 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1p1x h LYS 196 Cb 1.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p1x h LYS 196 CO -0.25 0.62 -0.33 0.25 -2.27 0.00 0.00 179.45 177.47 1p1x n THR 197 N -3.87 0.00 -4.14 1.00 -2.24 -0.58 -4.96 114.28 99.50 1p1x n THR 197 Ca -0.02 -0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 1p1x n THR 197 Cb 0.58 1.03 -0.17 0.00 -2.10 0.00 0.00 70.33 69.67 1p1x n THR 197 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1p1x s VAL 198 N -1.62 1.11 0.57 2.28 1.01 -0.62 -4.64 120.40 118.50 1p1x s VAL 198 Ca 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1p1x s VAL 198 Cb 0.06 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.41 1p1x s VAL 198 CO 0.30 0.37 0.80 -0.83 0.00 0.00 0.00 175.10 175.74 1p1x s GLY 199 N 1.35 1.82 -0.01 4.51 0.00 -0.19 -4.71 107.32 110.10 1p1x s GLY 199 Ca -0.01 -1.39 0.06 0.00 0.00 0.00 0.00 44.72 43.38 1p1x s GLY 199 CO -0.05 -1.07 -0.20 -0.12 0.00 0.00 0.00 173.10 171.66 1p1x s PHE 200 N -2.80 1.79 -0.22 1.90 5.36 -0.05 -1.25 117.98 122.70 1p1x s PHE 200 Ca 0.58 -0.34 -0.04 0.00 -0.96 0.00 0.00 56.93 56.17 1p1x s PHE 200 Cb -0.10 -1.14 0.07 0.00 -0.34 0.00 0.00 43.02 41.52 1p1x s PHE 200 CO 0.39 -0.01 0.09 0.21 -1.46 0.00 0.00 175.22 174.43 1p1x s LYS 201 N -0.57 0.30 0.22 10.12 2.20 -0.57 -2.36 119.74 129.09 1p1x s LYS 201 Ca 0.08 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1p1x s LYS 201 Cb -0.08 -1.75 -0.09 0.00 -1.51 0.00 0.00 37.83 34.40 1p1x s LYS 201 CO -0.00 -0.78 1.12 -1.25 -0.36 0.00 0.00 175.35 174.08 1p1x s PRO 202 N 2.01 4.59 -0.03 4.03 0.04 -1.23 -1.54 135.00 142.87 1p1x s PRO 202 Ca 0.04 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1p1x s PRO 202 Cb -0.16 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.15 1p1x s PRO 202 CO -0.17 0.10 0.12 0.00 0.04 0.00 0.00 177.00 177.09 1p1x s ALA 203 N -0.60 -0.29 0.00 8.56 0.00 -1.26 -1.18 121.76 126.99 1p1x s ALA 203 Ca 0.48 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1p1x s ALA 203 Cb -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1p1x s ALA 203 CO 0.38 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1p1x n GLY 204 N 2.40 -1.74 2.44 0.00 0.00 -1.08 -2.15 105.19 105.06 1p1x n GLY 204 Ca -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1p1x n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1x n GLY 205 N 0.84 0.34 3.42 -0.02 0.00 -1.26 -2.49 105.19 106.02 1p1x n GLY 205 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1p1x n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1x s VAL 206 N -1.73 4.80 -0.13 1.61 1.01 -1.26 -4.85 120.40 119.84 1p1x s VAL 206 Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 61.98 60.67 1p1x s VAL 206 Cb 0.00 -4.68 -0.15 0.00 0.00 0.00 0.00 36.38 31.55 1p1x s VAL 206 CO 0.00 -1.38 0.04 0.54 0.00 0.00 0.00 175.10 174.30 1p1x n ARG 207 N 6.36 1.88 -4.47 2.72 1.74 -1.26 -4.26 116.66 119.38 1p1x n ARG 207 Ca 0.13 -0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1p1x n ARG 207 Cb 0.47 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.49 1p1x n ARG 207 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1p1x s THR 208 N -2.30 1.86 0.28 0.55 -4.23 -1.26 -3.41 115.64 107.12 1p1x s THR 208 Ca -0.07 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.29 1p1x s THR 208 Cb 0.04 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1p1x s THR 208 CO 0.51 -0.27 1.82 0.00 -0.54 0.00 0.00 174.62 176.13 1p1x h ALA 209 N 2.19 1.45 -0.32 3.99 0.00 -1.84 -1.32 119.26 123.41 1p1x h ALA 209 Ca -0.41 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1p1x h ALA 209 Cb 1.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1p1x h ALA 209 CO 0.68 0.14 -0.14 0.93 0.00 0.00 0.00 179.25 180.86 1p1x h GLU 210 N 0.89 0.56 -0.01 0.00 3.07 -1.95 -0.75 114.58 116.39 1p1x h GLU 210 Ca 0.49 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1p1x h GLU 210 Cb 0.53 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1p1x h GLU 210 CO -0.29 0.68 0.01 -0.44 -1.40 0.00 0.00 179.01 177.57 1p1x h ASP 211 N 0.51 0.01 -0.29 1.42 3.32 -1.69 -2.18 116.42 117.52 1p1x h ASP 211 Ca 0.09 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1p1x h ASP 211 Cb 0.54 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1p1x h ASP 211 CO 0.03 0.01 0.05 0.00 -1.72 0.00 0.00 179.24 177.62 1p1x h ALA 212 N 1.00 1.38 -0.36 3.45 0.00 -0.95 -1.13 119.26 122.65 1p1x h ALA 212 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1p1x h ALA 212 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1p1x h ALA 212 CO -0.00 0.44 -0.07 0.37 0.00 0.00 0.00 179.25 179.99 1p1x h GLN 213 N 0.56 0.60 -0.89 0.00 4.15 -0.75 -2.19 115.11 116.59 1p1x h GLN 213 Ca 0.13 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1p1x h GLN 213 Cb 0.28 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1p1x h GLN 213 CO 0.00 0.67 0.47 0.87 -1.93 0.00 0.00 178.83 178.92 1p1x h LYS 214 N 0.56 1.25 -0.09 1.69 1.57 -0.58 -2.35 116.57 118.61 1p1x h LYS 214 Ca 0.11 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 1p1x h LYS 214 Cb 0.46 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1p1x h LYS 214 CO 0.02 0.92 -0.85 1.88 -0.57 0.00 0.00 179.45 180.85 1p1x h TYR 215 N 1.25 0.93 -0.12 -1.35 0.05 -1.29 -3.10 116.97 113.33 1p1x h TYR 215 Ca 0.31 -0.44 -0.09 0.00 0.05 0.00 0.00 58.73 58.55 1p1x h TYR 215 Cb 0.05 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1p1x h TYR 215 CO 0.01 1.26 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.97 1p1x h LEU 216 N 0.43 0.25 -0.97 3.88 3.38 -1.38 -2.58 115.31 118.32 1p1x h LEU 216 Ca -0.07 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1p1x h LEU 216 Cb 1.48 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 1p1x h LEU 216 CO 0.17 0.59 0.63 0.00 0.09 0.00 0.00 178.44 179.91 1p1x h ALA 217 N 1.43 1.30 -0.24 1.53 0.00 -1.35 -0.06 119.26 121.87 1p1x h ALA 217 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1p1x h ALA 217 Cb 0.72 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p1x h ALA 217 CO 0.05 0.50 -0.09 0.82 0.00 0.00 0.00 179.25 180.54 1p1x h ILE 218 N 1.21 1.29 -0.38 0.00 2.04 -1.42 -1.16 117.51 119.10 1p1x h ILE 218 Ca 0.39 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1p1x h ILE 218 Cb 0.03 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1p1x h ILE 218 CO -0.13 0.35 0.17 0.00 0.00 0.00 0.00 178.15 178.54 1p1x h ALA 219 N 0.74 0.46 -0.54 1.87 0.00 -1.09 -1.44 119.26 119.26 1p1x h ALA 219 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1p1x h ALA 219 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1p1x h ALA 219 CO 0.03 -0.21 0.02 -0.44 0.00 0.00 0.00 179.25 178.65 1p1x h ASP 220 N 0.35 0.88 -0.20 0.00 3.32 -0.89 -0.36 116.42 119.51 1p1x h ASP 220 Ca 0.17 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1p1x h ASP 220 Cb 0.10 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1p1x h ASP 220 CO -0.14 0.93 0.12 -0.08 -1.72 0.00 0.00 179.24 178.35 1p1x h GLU 221 N 0.84 0.27 0.05 3.56 4.81 -0.90 -1.12 114.58 122.09 1p1x h GLU 221 Ca 0.16 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.09 1p1x h GLU 221 Cb 0.48 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.82 1p1x h GLU 221 CO 0.02 0.22 -1.13 -0.07 -0.73 0.00 0.00 179.01 177.33 1p1x h LEU 222 N 0.24 0.89 -1.00 1.64 3.38 -0.92 -3.39 115.31 116.15 1p1x h LEU 222 Ca 0.07 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1p1x h LEU 222 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1p1x h LEU 222 CO -0.01 1.56 0.00 0.49 0.09 0.00 0.00 178.44 180.57 1p1x n PHE 223 N -3.82 0.00 0.00 1.13 3.72 -0.18 -5.11 117.46 113.20 1p1x n PHE 223 Ca -0.12 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1p1x n PHE 223 Cb 0.93 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1p1x n PHE 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1p1x n GLY 224 N -0.02 -0.78 0.00 1.37 0.00 -0.42 -4.47 105.19 100.87 1p1x n GLY 224 Ca 0.00 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.50 1p1x n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p1x n ALA 225 N -0.41 1.70 1.01 4.61 0.00 -1.26 -2.77 120.51 123.40 1p1x n ALA 225 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1p1x n ALA 225 Cb 0.00 -1.25 0.16 0.00 0.00 0.00 0.00 19.45 18.36 1p1x n ALA 225 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p1x n ASP 226 N -1.52 0.68 -0.17 0.00 8.00 -1.26 -4.49 116.55 117.78 1p1x n ASP 226 Ca 0.04 -0.49 -0.09 0.00 0.71 0.00 0.00 54.79 54.95 1p1x n ASP 226 Cb 0.18 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1p1x n ASP 226 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1p1x h TRP 227 N 0.09 0.85 0.00 1.24 7.01 -1.74 -3.36 115.95 120.04 1p1x h TRP 227 Ca 0.00 -0.12 -0.70 0.00 2.11 0.00 0.00 58.89 60.19 1p1x h TRP 227 Cb 0.50 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1p1x h TRP 227 CO 0.00 0.79 3.36 0.00 -2.79 0.00 0.00 178.44 179.79 1p1x n ALA 228 N -2.40 6.16 -1.99 2.65 0.00 -1.26 -4.62 120.51 119.05 1p1x n ALA 228 Ca 0.01 -3.76 -0.25 0.00 0.00 0.00 0.00 53.44 49.44 1p1x n ALA 228 Cb 0.25 -3.49 0.14 0.00 0.00 0.00 0.00 19.45 16.35 1p1x n ALA 228 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1p1x s ASP 229 N 2.90 3.93 0.50 0.00 1.47 -1.26 -4.74 116.67 119.47 1p1x s ASP 229 Ca 0.54 -0.38 0.26 0.00 1.18 0.00 0.00 52.55 54.15 1p1x s ASP 229 Cb 0.15 0.17 1.30 0.00 -0.34 0.00 0.00 42.92 44.20 1p1x s ASP 229 CO -0.08 -2.16 2.01 0.00 0.68 0.00 0.00 175.17 175.62 1p1x h ALA 230 N -0.82 1.25 0.00 2.11 0.00 -1.91 0.14 119.26 120.04 1p1x h ALA 230 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1p1x h ALA 230 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1p1x h ALA 230 CO 0.36 0.19 0.00 -0.09 0.00 0.00 0.00 179.25 179.71 1p1x h ARG 231 N 0.00 0.00 -0.00 0.00 9.65 -1.94 -3.35 114.38 118.74 1p1x h ARG 231 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1p1x h ARG 231 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1p1x h ARG 231 CO 0.02 0.00 -0.14 0.72 2.80 0.00 0.00 179.97 183.37 1p1x n HIS 232 N -2.82 0.00 -3.71 2.20 8.25 -0.20 -4.27 115.22 114.66 1p1x n HIS 232 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1p1x n HIS 232 Cb 0.38 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.39 1p1x n HIS 232 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1p1x s TYR 233 N -1.17 -0.55 0.03 4.41 6.14 -0.14 -0.87 117.35 125.20 1p1x s TYR 233 Ca 0.02 1.25 -0.02 0.00 0.64 0.00 0.00 57.07 58.96 1p1x s TYR 233 Cb 0.03 0.22 -0.02 0.00 0.42 0.00 0.00 41.96 42.61 1p1x s TYR 233 CO 0.14 -0.28 0.01 1.03 0.64 0.00 0.00 175.55 177.09 1p1x s ARG 234 N 0.73 0.49 -0.24 4.97 1.81 -0.99 -4.40 118.95 121.32 1p1x s ARG 234 Ca -0.04 -0.83 -0.09 0.00 -1.72 0.00 0.00 55.73 53.05 1p1x s ARG 234 Cb -0.05 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1p1x s ARG 234 CO -0.05 -0.10 0.11 -0.06 -0.68 0.00 0.00 175.30 174.51 1p1x s PHE 235 N -2.57 3.18 -0.59 -0.53 0.08 -0.39 -3.55 117.98 113.61 1p1x s PHE 235 Ca -0.05 -0.11 -0.24 0.00 0.12 0.00 0.00 56.93 56.65 1p1x s PHE 235 Cb -0.02 -2.24 0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1p1x s PHE 235 CO -0.05 -0.15 0.95 0.20 -0.10 0.00 0.00 175.22 176.07 1p1x s GLY 236 N 1.32 1.39 0.28 4.36 0.00 -0.33 -0.51 107.32 113.82 1p1x s GLY 236 Ca 0.06 -1.45 -0.21 0.00 0.00 0.00 0.00 44.72 43.12 1p1x s GLY 236 CO 0.05 2.06 0.78 0.00 0.00 0.00 0.00 173.10 175.99 1p1x s ALA 237 N 4.01 -1.22 0.00 3.20 0.00 -1.17 -2.65 121.76 123.93 1p1x s ALA 237 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1p1x s ALA 237 Cb -0.14 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1p1x s ALA 237 CO 0.16 -1.03 0.00 -1.13 0.00 0.00 0.00 175.76 173.76 1p1x n SER 238 N -0.67 0.00 0.07 0.00 3.41 -1.26 -1.20 113.62 113.98 1p1x n SER 238 Ca -0.05 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.74 1p1x n SER 238 Cb 0.59 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.25 1p1x n SER 238 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1p1x h SER 239 N 0.00 0.00 -1.07 4.04 4.64 -1.89 -1.67 113.55 117.60 1p1x h SER 239 Ca 0.00 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.61 1p1x h SER 239 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1p1x h SER 239 CO 0.00 0.00 0.68 0.25 -0.87 0.00 0.00 176.83 176.89 1p1x h LEU 240 N 0.00 0.44 -0.46 5.97 5.85 -1.73 -2.60 115.31 122.78 1p1x h LEU 240 Ca 0.19 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1p1x h LEU 240 Cb 0.80 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1p1x h LEU 240 CO -0.00 0.05 0.29 0.25 -0.34 0.00 0.00 178.44 178.68 1p1x h LEU 241 N 0.37 0.48 -1.45 2.25 5.85 -1.61 0.44 115.31 121.63 1p1x h LEU 241 Ca 0.63 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.30 1p1x h LEU 241 Cb 1.62 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1p1x h LEU 241 CO -0.33 0.34 -0.13 0.00 -0.34 0.00 0.00 178.44 177.98 1p1x h ALA 242 N 1.19 1.55 -0.26 1.25 0.00 -1.67 -0.68 119.26 120.64 1p1x h ALA 242 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1p1x h ALA 242 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1p1x h ALA 242 CO -0.06 0.33 -0.18 1.03 0.00 0.00 0.00 179.25 180.36 1p1x h SER 243 N 0.19 0.61 -0.24 0.00 0.87 -1.24 -1.59 113.55 112.15 1p1x h SER 243 Ca 0.04 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1p1x h SER 243 Cb 0.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1p1x h SER 243 CO 0.02 0.92 0.14 -0.07 -0.53 0.00 0.00 176.83 177.31 1p1x h LEU 244 N 0.30 0.24 -1.12 2.23 3.38 -0.50 -1.63 115.31 118.21 1p1x h LEU 244 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1p1x h LEU 244 Cb 0.72 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1p1x h LEU 244 CO 0.05 0.17 0.47 -0.07 0.09 0.00 0.00 178.44 179.16 1p1x h LEU 245 N 0.30 0.95 -0.60 1.67 3.38 -1.07 -1.52 115.31 118.42 1p1x h LEU 245 Ca 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1p1x h LEU 245 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1p1x h LEU 245 CO -0.04 0.73 0.17 0.50 0.09 0.00 0.00 178.44 179.89 1p1x h LYS 246 N 1.09 0.94 -0.10 1.13 3.64 -1.04 0.91 116.57 123.15 1p1x h LYS 246 Ca 0.29 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1p1x h LYS 246 Cb -0.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1p1x h LYS 246 CO -0.05 0.85 -0.03 0.00 -2.27 0.00 0.00 179.45 177.95 1p1x h ALA 247 N 1.05 1.78 -0.00 5.00 0.00 -0.63 -2.10 119.26 124.35 1p1x h ALA 247 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p1x h ALA 247 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p1x h ALA 247 CO -0.00 0.17 -0.25 1.28 0.00 0.00 0.00 179.25 180.45 1p1x n LEU 248 N -4.42 0.73 0.00 0.00 4.77 -0.64 -4.81 117.00 112.64 1p1x n LEU 248 Ca -0.01 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1p1x n LEU 248 Cb 0.16 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1p1x n LEU 248 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1p1x n GLY 249 N 1.36 0.86 0.00 -0.72 0.00 -0.78 -5.07 105.19 100.84 1p1x n GLY 249 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1p1x n GLY 249 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74