#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p80 n SER 28 N 0.00 0.00 0.08 -2.24 2.88 -1.26 -5.04 113.62 108.04 1p80 n SER 28 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1p80 n SER 28 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1p80 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1p80 n LEU 29 N 0.00 0.65 -4.77 2.46 4.77 -1.26 -4.92 117.00 113.94 1p80 n LEU 29 Ca 0.00 0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 1p80 n LEU 29 Cb 0.00 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1p80 n LEU 29 CO 0.00 -0.13 0.81 0.00 -1.33 0.00 0.00 177.39 176.74 1p80 s ALA 30 N -3.39 2.65 0.38 -1.18 0.00 -1.26 -4.96 121.76 114.01 1p80 s ALA 30 Ca -0.02 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.57 1p80 s ALA 30 Cb 0.11 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1p80 s ALA 30 CO 0.82 -0.93 1.41 -1.25 0.00 0.00 0.00 175.76 175.81 1p80 s PRO 31 N -3.28 4.07 0.51 0.00 0.04 -1.26 -4.91 135.00 130.17 1p80 s PRO 31 Ca 0.74 2.41 0.25 0.00 0.04 0.00 0.00 61.00 64.44 1p80 s PRO 31 Cb -0.27 -2.91 1.36 0.00 0.04 0.00 0.00 34.50 32.72 1p80 s PRO 31 CO 0.30 -0.50 2.06 1.49 0.04 0.00 0.00 177.00 180.38 1p80 h GLU 32 N 2.92 0.00 0.00 4.56 4.57 -1.96 -2.01 114.58 122.65 1p80 h GLU 32 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1p80 h GLU 32 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1p80 h GLU 32 CO 0.64 0.13 0.00 -0.40 -1.18 0.00 0.00 179.01 178.20 1p80 n ASP 33 N -3.78 0.00 -0.68 1.04 5.75 -1.26 -4.90 116.55 112.72 1p80 n ASP 33 Ca -0.02 0.18 -0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1p80 n ASP 33 Cb 0.24 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1p80 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p80 n GLY 34 N 0.76 0.75 0.00 6.12 0.00 -0.76 -4.92 105.19 107.14 1p80 n GLY 34 Ca 0.09 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.52 1p80 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 35 N 0.67 0.00 0.14 1.61 3.41 -1.26 -3.29 113.62 114.90 1p80 n SER 35 Ca -0.08 -1.54 0.09 0.00 -0.26 0.00 0.00 58.87 57.08 1p80 n SER 35 Cb 0.34 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1p80 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1p80 h HIS 36 N 0.00 0.00 -3.29 7.33 2.07 -1.91 -3.45 115.15 115.90 1p80 h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1p80 h HIS 36 Cb 0.00 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 29.80 1p80 h HIS 36 CO 0.00 0.17 -0.61 0.50 -3.07 0.00 0.00 177.93 174.91 1p80 s ARG 37 N -3.19 3.68 0.45 5.12 6.06 -1.21 -4.99 118.95 124.88 1p80 s ARG 37 Ca 0.02 -0.42 -0.23 0.00 -2.50 0.00 0.00 55.73 52.61 1p80 s ARG 37 Cb 0.08 -3.02 -0.08 0.00 0.06 0.00 0.00 34.95 31.99 1p80 s ARG 37 CO 0.75 0.34 1.12 -1.25 -2.50 0.00 0.00 175.30 173.76 1p80 s PRO 38 N 0.12 3.84 0.42 5.12 0.05 -1.26 -5.00 135.00 138.29 1p80 s PRO 38 Ca 0.02 1.65 -0.24 0.00 0.05 0.00 0.00 61.00 62.48 1p80 s PRO 38 Cb -0.13 -2.38 -0.08 0.00 0.05 0.00 0.00 34.50 31.96 1p80 s PRO 38 CO 0.02 -0.46 1.17 0.00 0.05 0.00 0.00 177.00 177.78 1p80 s ALA 39 N -1.64 3.09 -1.39 8.56 0.00 -1.26 -4.91 121.76 124.21 1p80 s ALA 39 Ca 0.63 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.49 1p80 s ALA 39 Cb -0.25 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1p80 s ALA 39 CO 0.31 -0.58 2.50 0.00 0.00 0.00 0.00 175.76 177.98 1p80 n ALA 40 N -0.13 6.93 -3.25 0.00 0.00 -1.26 -4.81 120.51 118.00 1p80 n ALA 40 Ca 0.05 -3.96 -0.13 0.00 0.00 0.00 0.00 53.44 49.40 1p80 n ALA 40 Cb 0.47 -2.92 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 1p80 n ALA 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1p80 s GLU 41 N -0.32 1.02 0.25 0.00 -1.05 -1.23 -4.84 118.70 112.53 1p80 s GLU 41 Ca 0.57 -0.32 -0.31 0.00 -0.15 0.00 0.00 54.97 54.77 1p80 s GLU 41 Cb 0.18 0.46 -0.11 0.00 -0.44 0.00 0.00 34.13 34.22 1p80 s GLU 41 CO -0.08 -0.37 1.63 -1.25 0.95 0.00 0.00 175.26 176.14 1p80 s PRO 42 N -2.62 4.13 0.01 -4.83 0.04 -1.26 -5.00 135.00 125.46 1p80 s PRO 42 Ca -0.04 2.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.54 1p80 s PRO 42 Cb -0.00 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1p80 s PRO 42 CO -0.03 -0.67 0.02 0.95 0.04 0.00 0.00 177.00 177.31 1p80 s THR 43 N 0.50 0.08 0.68 1.26 -4.23 -0.98 -4.96 115.64 107.99 1p80 s THR 43 Ca 0.68 -0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1p80 s THR 43 Cb -0.48 -0.26 0.01 0.00 1.34 0.00 0.00 72.50 73.11 1p80 s THR 43 CO 0.41 -0.37 1.13 -2.16 -0.54 0.00 0.00 174.62 173.09 1p80 s PRO 44 N -1.15 2.60 -0.07 3.99 0.04 -1.26 -3.15 135.00 135.99 1p80 s PRO 44 Ca -0.13 1.47 -0.38 0.00 0.04 0.00 0.00 61.00 62.01 1p80 s PRO 44 Cb -0.08 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 1p80 s PRO 44 CO -0.00 -1.42 1.56 -2.30 0.04 0.00 0.00 177.00 174.88 1p80 n PRO 45 N -2.56 1.29 -0.53 0.56 -0.02 -1.26 -1.58 135.00 130.89 1p80 n PRO 45 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1p80 n PRO 45 Cb 0.52 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1p80 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p80 n GLY 46 N 3.40 1.29 0.13 -1.23 0.00 -1.26 -4.91 105.19 102.61 1p80 n GLY 46 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p80 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p80 h ALA 47 N 0.00 0.40 -2.32 4.61 0.00 -1.64 -3.46 119.26 116.84 1p80 h ALA 47 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 54.91 53.98 1p80 h ALA 47 Cb 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 1p80 h ALA 47 CO 0.00 0.90 -0.67 -0.65 0.00 0.00 0.00 179.25 178.84 1p80 s GLN 48 N -3.13 0.84 0.34 0.00 -1.52 -1.26 -5.07 119.66 109.86 1p80 s GLN 48 Ca -0.04 -1.37 -0.29 0.00 -1.95 0.00 0.00 55.36 51.72 1p80 s GLN 48 Cb 0.09 0.11 -0.10 0.00 -0.22 0.00 0.00 33.01 32.88 1p80 s GLN 48 CO 0.85 -0.16 1.34 -2.14 -0.25 0.00 0.00 175.29 174.93 1p80 s PRO 49 N -3.96 4.31 0.84 2.91 0.02 -1.26 -4.99 135.00 132.87 1p80 s PRO 49 Ca 0.17 2.28 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 1p80 s PRO 49 Cb 0.07 -3.05 0.10 0.00 0.02 0.00 0.00 34.50 31.64 1p80 s PRO 49 CO -0.03 -0.25 1.09 0.95 -0.33 0.00 0.00 177.00 178.43 1p80 s THR 50 N -1.13 2.91 0.19 0.99 -4.23 -1.26 -4.62 115.64 108.49 1p80 s THR 50 Ca 0.50 0.29 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 1p80 s THR 50 Cb -0.41 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1p80 s THR 50 CO 0.55 -0.38 0.50 0.00 -0.54 0.00 0.00 174.62 174.75 1p80 s ALA 51 N -3.04 -0.88 0.26 3.99 0.00 -1.26 -4.98 121.76 115.85 1p80 s ALA 51 Ca 0.62 -0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1p80 s ALA 51 Cb -0.16 0.85 -0.15 0.00 0.00 0.00 0.00 23.12 23.66 1p80 s ALA 51 CO 0.56 -0.79 0.95 -2.30 0.00 0.00 0.00 175.76 174.17 1p80 n PRO 52 N -0.33 1.11 -0.22 0.00 -0.02 -1.26 -4.67 135.00 129.61 1p80 n PRO 52 Ca -0.10 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1p80 n PRO 52 Cb 0.63 -1.71 0.13 0.00 -0.02 0.00 0.00 33.50 32.53 1p80 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p80 h GLY 53 N 1.96 0.93 2.00 -1.23 0.00 -1.20 -1.21 103.07 104.33 1p80 h GLY 53 Ca -0.38 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1p80 h GLY 53 CO 0.61 -0.06 0.00 1.48 0.00 0.00 0.00 176.54 178.57 1p80 h SER 54 N 0.40 0.00 0.34 0.19 4.64 -1.83 -0.35 113.55 116.94 1p80 h SER 54 Ca 0.34 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.34 1p80 h SER 54 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1p80 h SER 54 CO -0.36 0.00 -1.81 -0.07 -0.87 0.00 0.00 176.83 173.73 1p80 h LEU 55 N 0.00 0.20 -0.02 5.97 3.38 -1.63 -3.16 115.31 120.04 1p80 h LEU 55 Ca 0.00 -0.43 -0.26 0.00 0.09 0.00 0.00 57.88 57.28 1p80 h LEU 55 Cb 0.40 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1p80 h LEU 55 CO 0.00 1.38 -1.02 0.50 0.09 0.00 0.00 178.44 179.39 1p80 h LYS 56 N 0.03 0.71 -2.14 1.13 1.63 -0.93 -3.40 116.57 113.60 1p80 h LYS 56 Ca -0.34 -0.74 -0.57 0.00 -0.85 0.00 0.00 60.65 58.15 1p80 h LYS 56 Cb 2.02 0.21 -0.39 0.00 -0.60 0.00 0.00 32.23 33.47 1p80 h LYS 56 CO 0.09 1.32 -1.03 0.00 -3.45 0.00 0.00 179.45 176.38 1p80 n ALA 57 N -2.64 2.67 0.27 5.00 0.00 -0.17 -3.57 120.51 122.07 1p80 n ALA 57 Ca -0.11 -3.42 0.13 0.00 0.00 0.00 0.00 53.44 50.05 1p80 n ALA 57 Cb 0.87 -0.80 0.78 0.00 0.00 0.00 0.00 19.45 20.30 1p80 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p80 h PRO 58 N 4.52 0.00 -0.13 0.00 0.13 -1.73 -2.44 132.00 132.34 1p80 h PRO 58 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1p80 h PRO 58 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1p80 h PRO 58 CO 0.46 0.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.07 1p80 n ASP 59 N -3.70 2.77 -4.62 1.44 10.43 -1.26 -4.83 116.55 116.79 1p80 n ASP 59 Ca -0.02 -1.90 -0.43 0.00 2.57 0.00 0.00 54.79 55.02 1p80 n ASP 59 Cb 0.19 -0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.05 1p80 n ASP 59 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1p80 s THR 60 N -1.85 4.54 0.11 -3.53 2.01 -0.92 -5.01 115.64 111.00 1p80 s THR 60 Ca 0.33 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.76 1p80 s THR 60 Cb 0.21 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1p80 s THR 60 CO 0.31 -0.53 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.48 1p80 s ARG 61 N 3.58 0.90 0.23 4.92 0.52 -1.26 -5.02 118.95 122.82 1p80 s ARG 61 Ca 0.41 -1.28 -0.19 0.00 -0.52 0.00 0.00 55.73 54.16 1p80 s ARG 61 Cb -0.12 -0.49 0.03 0.00 0.52 0.00 0.00 34.95 34.89 1p80 s ARG 61 CO 0.18 0.06 0.60 0.54 0.02 0.00 0.00 175.30 176.70 1p80 s ASN 62 N -2.77 -0.29 0.26 0.23 2.20 -1.26 -5.02 114.94 108.29 1p80 s ASN 62 Ca 0.10 -0.51 -0.04 0.00 -0.94 0.00 0.00 52.86 51.47 1p80 s ASN 62 Cb 0.00 0.64 0.34 0.00 -2.00 0.00 0.00 41.25 40.23 1p80 s ASN 62 CO -0.01 -1.16 1.90 -0.08 -2.94 0.00 0.00 177.10 174.82 1p80 h GLU 63 N 2.10 1.22 -0.05 3.55 4.81 -1.97 -0.74 114.58 123.51 1p80 h GLU 63 Ca -0.26 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1p80 h GLU 63 Cb 1.26 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1p80 h GLU 63 CO 0.32 0.81 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.17 1p80 h LYS 64 N 1.26 0.10 -0.88 1.92 1.63 -1.96 -1.50 116.57 117.14 1p80 h LYS 64 Ca 0.40 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.21 1p80 h LYS 64 Cb 0.01 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 1p80 h LYS 64 CO -0.13 0.45 0.56 -0.07 -3.45 0.00 0.00 179.45 176.81 1p80 h LEU 65 N -0.26 0.89 -0.85 5.20 3.38 -1.90 -1.97 115.31 119.81 1p80 h LEU 65 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1p80 h LEU 65 Cb 0.42 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1p80 h LEU 65 CO 0.01 0.59 0.02 0.78 0.09 0.00 0.00 178.44 179.92 1p80 h ASN 66 N 1.04 0.84 0.69 -0.43 2.35 -1.05 -2.69 115.58 116.32 1p80 h ASN 66 Ca 0.37 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1p80 h ASN 66 Cb 0.12 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1p80 h ASN 66 CO -0.16 0.89 0.00 0.77 -1.65 0.00 0.00 177.43 177.29 1p80 h SER 67 N 0.82 0.00 0.63 5.81 4.64 -0.54 -1.99 113.55 122.92 1p80 h SER 67 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1p80 h SER 67 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1p80 h SER 67 CO 0.02 0.00 -0.16 0.18 -0.87 0.00 0.00 176.83 176.00 1p80 n LEU 68 N -2.47 0.29 0.23 5.97 4.77 -0.92 -4.02 117.00 120.86 1p80 n LEU 68 Ca 0.01 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1p80 n LEU 68 Cb 0.22 -0.31 0.71 0.00 -2.33 0.00 0.00 43.42 41.71 1p80 n LEU 68 CO 0.20 0.06 1.10 -0.08 -1.33 0.00 0.00 177.39 177.35 1p80 h GLU 69 N 0.20 0.00 0.00 3.23 4.57 -1.42 -1.85 114.58 119.31 1p80 h GLU 69 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1p80 h GLU 69 Cb 0.44 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1p80 h GLU 69 CO 0.00 0.00 -0.03 0.38 -1.18 0.00 0.00 179.01 178.18 1p80 h ASP 70 N 0.00 0.00 -0.01 1.04 -0.00 -1.82 -2.77 116.42 112.87 1p80 h ASP 70 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1p80 h ASP 70 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1p80 h ASP 70 CO -0.00 0.03 -0.23 1.33 -0.00 0.00 0.00 179.24 180.37 1p80 n VAL 71 N -3.44 0.00 -2.24 4.15 0.24 -0.72 -4.99 118.33 111.34 1p80 n VAL 71 Ca -0.02 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.47 1p80 n VAL 71 Cb 0.14 1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 33.59 1p80 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1p80 s ARG 72 N -1.41 4.35 -0.13 7.34 0.52 -1.05 -5.01 118.95 123.56 1p80 s ARG 72 Ca 0.08 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 1p80 s ARG 72 Cb 0.08 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 1p80 s ARG 72 CO 0.27 -0.38 -0.14 0.21 0.02 0.00 0.00 175.30 175.27 1p80 s LYS 73 N 1.04 3.32 0.00 3.54 2.20 -1.26 -5.03 119.74 123.55 1p80 s LYS 73 Ca 0.63 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1p80 s LYS 73 Cb -0.35 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1p80 s LYS 73 CO 0.30 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.88 1p80 n GLY 74 N 3.63 0.05 0.00 5.54 0.00 -1.26 -5.07 105.19 108.08 1p80 n GLY 74 Ca -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1p80 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 75 N -0.70 0.00 -4.73 1.61 3.41 -1.26 -5.07 113.62 106.88 1p80 n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1p80 n SER 75 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1p80 n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1p80 s GLU 76 N -0.96 4.14 -0.74 4.33 2.02 -1.26 -2.15 118.70 124.08 1p80 s GLU 76 Ca 0.00 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.55 1p80 s GLU 76 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1p80 s GLU 76 CO 0.00 -0.68 0.00 0.09 0.02 0.00 0.00 175.26 174.69 1p80 n ASN 77 N 3.29 -4.30 -4.75 -0.19 3.02 -1.26 -5.02 115.26 106.05 1p80 n ASN 77 Ca 0.13 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 1p80 n ASN 77 Cb 0.36 -2.41 -0.07 0.00 -0.61 0.00 0.00 39.78 37.05 1p80 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p80 s TYR 78 N -2.10 3.11 0.42 3.10 2.02 -0.92 -5.10 117.35 117.88 1p80 s TYR 78 Ca 0.00 0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 56.50 1p80 s TYR 78 Cb 0.00 -1.57 -0.09 0.00 -0.40 0.00 0.00 41.96 39.90 1p80 s TYR 78 CO 0.00 0.51 1.04 0.00 -1.57 0.00 0.00 175.55 175.53 1p80 s ALA 79 N -1.42 3.04 -0.05 3.71 0.00 -1.26 -5.02 121.76 120.76 1p80 s ALA 79 Ca 0.28 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1p80 s ALA 79 Cb -0.12 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1p80 s ALA 79 CO 0.21 -0.20 1.15 -1.17 0.00 0.00 0.00 175.76 175.75 1p80 s LEU 80 N -2.84 4.28 0.31 0.00 2.96 -1.26 -5.01 118.68 117.13 1p80 s LEU 80 Ca 0.60 1.77 0.03 0.00 -0.22 0.00 0.00 54.13 56.31 1p80 s LEU 80 Cb -0.20 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 1p80 s LEU 80 CO 0.25 -0.53 0.09 0.42 -1.32 0.00 0.00 176.35 175.26 1p80 s THR 81 N 2.03 0.79 1.00 3.68 -4.23 -1.26 -1.40 115.64 116.26 1p80 s THR 81 Ca 0.54 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 1p80 s THR 81 Cb -0.24 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.16 1p80 s THR 81 CO 0.22 0.00 1.17 0.42 -0.54 0.00 0.00 174.62 175.89 1p80 s THR 82 N -3.47 1.89 -0.52 3.99 -4.23 0.51 -4.89 115.64 108.92 1p80 s THR 82 Ca 0.35 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.09 1p80 s THR 82 Cb 0.07 -2.73 0.24 0.00 1.34 0.00 0.00 72.50 71.42 1p80 s THR 82 CO 0.15 0.00 1.69 0.59 -0.54 0.00 0.00 174.62 176.51 1p80 n ASN 83 N -4.05 0.61 -0.52 3.99 3.02 -1.26 -1.64 115.26 115.41 1p80 n ASN 83 Ca 0.10 0.65 0.14 0.00 -0.03 0.00 0.00 54.58 55.44 1p80 n ASN 83 Cb 0.59 -0.78 0.49 0.00 -0.61 0.00 0.00 39.78 39.47 1p80 n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p80 n GLN 84 N -2.18 1.72 -0.37 3.52 1.13 -1.26 -4.95 117.38 114.99 1p80 n GLN 84 Ca 0.02 -1.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.04 1p80 n GLN 84 Cb 0.22 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1p80 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p80 n GLY 85 N 1.19 0.79 3.69 1.08 0.00 -0.65 -5.05 105.19 106.23 1p80 n GLY 85 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1p80 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p80 s VAL 86 N -2.15 4.99 0.28 1.61 1.01 -1.26 -4.78 120.40 120.11 1p80 s VAL 86 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1p80 s VAL 86 Cb 0.00 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 1p80 s VAL 86 CO 0.00 0.16 1.31 -0.13 0.00 0.00 0.00 175.10 176.44 1p80 s ARG 87 N 1.40 4.37 -0.16 2.72 0.52 -1.26 -0.36 118.95 126.18 1p80 s ARG 87 Ca 0.36 2.16 -0.10 0.00 -0.52 0.00 0.00 55.73 57.63 1p80 s ARG 87 Cb -0.17 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 1p80 s ARG 87 CO 0.15 -0.21 0.18 0.42 0.02 0.00 0.00 175.30 175.86 1p80 s ILE 88 N -0.66 5.39 -0.15 1.52 1.01 -0.49 -4.89 121.20 122.94 1p80 s ILE 88 Ca 0.52 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 61.37 1p80 s ILE 88 Cb -0.39 -3.50 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 1p80 s ILE 88 CO 0.47 0.48 0.30 0.00 0.00 0.00 0.00 174.94 176.19 1p80 n ALA 89 N 3.09 0.88 -3.79 9.38 0.00 -1.26 -4.81 120.51 123.99 1p80 n ALA 89 Ca -0.16 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 1p80 n ALA 89 Cb 0.53 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 1p80 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p80 s ASP 90 N -7.00 3.81 -0.26 0.00 3.68 -1.26 -4.97 116.67 110.68 1p80 s ASP 90 Ca -0.25 -1.42 0.08 0.00 2.13 0.00 0.00 52.55 53.10 1p80 s ASP 90 Cb 0.07 -0.92 0.61 0.00 -1.45 0.00 0.00 42.92 41.23 1p80 s ASP 90 CO 0.72 -0.36 1.59 -0.67 0.13 0.00 0.00 175.17 176.58 1p80 n ASP 91 N 4.82 4.31 -0.00 -0.34 4.64 -1.26 -4.13 116.55 124.58 1p80 n ASP 91 Ca -0.05 -2.95 0.05 0.00 -1.38 0.00 0.00 54.79 50.46 1p80 n ASP 91 Cb 0.43 -0.70 -0.08 0.00 -1.04 0.00 0.00 41.12 39.74 1p80 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p80 n GLN 92 N -0.02 0.41 -4.10 -0.67 1.13 -1.26 -5.05 117.38 107.82 1p80 n GLN 92 Ca 0.32 -0.09 -0.15 0.00 -1.94 0.00 0.00 57.00 55.15 1p80 n GLN 92 Cb 1.18 -1.23 -0.12 0.00 0.11 0.00 0.00 30.24 30.19 1p80 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1p80 s ASN 93 N -3.10 1.13 0.54 1.08 0.01 -1.26 -5.15 114.94 108.19 1p80 s ASN 93 Ca -0.03 -0.59 -0.11 0.00 -0.71 0.00 0.00 52.86 51.42 1p80 s ASN 93 Cb 0.06 0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.69 1p80 s ASN 93 CO 0.41 -0.17 0.93 -0.44 -1.51 0.00 0.00 177.10 176.32 1p80 s SER 94 N -1.69 6.34 -0.11 -1.22 0.01 -1.26 -4.97 113.70 110.80 1p80 s SER 94 Ca -0.07 1.29 -0.29 0.00 1.31 0.00 0.00 55.95 58.20 1p80 s SER 94 Cb -0.09 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1p80 s SER 94 CO 0.01 -0.69 0.97 -0.22 0.41 0.00 0.00 173.24 173.72 1p80 s LEU 95 N -4.71 4.25 0.05 2.44 2.96 -1.26 -5.03 118.68 117.37 1p80 s LEU 95 Ca 0.53 1.48 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 1p80 s LEU 95 Cb -0.11 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1p80 s LEU 95 CO 0.45 -0.42 -0.03 0.00 -1.32 0.00 0.00 176.35 175.03 1p80 s ARG 96 N 1.93 0.57 -1.00 1.98 1.70 -1.26 -1.47 118.95 121.40 1p80 s ARG 96 Ca 0.47 -1.12 -0.22 0.00 -0.47 0.00 0.00 55.73 54.38 1p80 s ARG 96 Cb -0.18 0.20 0.06 0.00 -0.57 0.00 0.00 34.95 34.46 1p80 s ARG 96 CO 0.18 -0.10 1.39 0.00 -1.08 0.00 0.00 175.30 175.68 1p80 s ALA 97 N -3.55 2.83 0.00 7.88 0.00 -0.88 -4.76 121.76 123.28 1p80 s ALA 97 Ca 0.04 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.66 1p80 s ALA 97 Cb 0.05 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1p80 s ALA 97 CO -0.09 -3.50 0.00 0.41 0.00 0.00 0.00 175.76 172.59 1p80 n GLY 98 N 6.61 0.66 0.02 0.00 0.00 -1.26 -3.57 105.19 107.65 1p80 n GLY 98 Ca 0.31 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.79 1p80 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 99 N -0.49 0.11 -0.47 1.61 3.41 -1.26 -1.34 113.62 115.19 1p80 n SER 99 Ca 0.00 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 1p80 n SER 99 Cb 0.00 -0.55 0.19 0.00 -0.26 0.00 0.00 64.21 63.59 1p80 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p80 n ARG 100 N -1.61 1.76 -2.07 4.33 1.74 -1.26 -5.07 116.66 114.47 1p80 n ARG 100 Ca 0.04 -2.84 -0.14 0.00 -0.77 0.00 0.00 57.85 54.14 1p80 n ARG 100 Cb 0.21 -1.64 0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1p80 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p80 n GLY 101 N -1.14 1.33 3.79 -0.13 0.00 -0.45 -5.06 105.19 103.52 1p80 n GLY 101 Ca 0.20 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1p80 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p80 s PRO 102 N -3.91 3.67 0.18 1.61 0.04 -1.26 -4.62 135.00 130.71 1p80 s PRO 102 Ca 0.41 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1p80 s PRO 102 Cb -0.03 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1p80 s PRO 102 CO 0.27 -0.56 1.10 0.99 0.04 0.00 0.00 177.00 178.84 1p80 s THR 103 N -1.86 3.83 0.09 1.26 2.01 -1.26 -2.07 115.64 117.64 1p80 s THR 103 Ca 0.68 1.59 -0.16 0.00 0.31 0.00 0.00 61.69 64.12 1p80 s THR 103 Cb -0.20 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 1p80 s THR 103 CO 0.24 0.28 0.52 -0.76 -0.69 0.00 0.00 174.62 174.20 1p80 s LEU 104 N -0.42 4.42 0.56 4.42 1.43 -0.54 -4.96 118.68 123.59 1p80 s LEU 104 Ca 0.49 1.09 0.31 0.00 -1.03 0.00 0.00 54.13 54.99 1p80 s LEU 104 Cb -0.30 -3.00 1.65 0.00 0.03 0.00 0.00 46.19 44.57 1p80 s LEU 104 CO 0.35 0.20 2.14 0.25 0.23 0.00 0.00 176.35 179.53 1p80 h LEU 105 N 4.08 0.00 0.00 1.79 5.85 -1.95 -2.44 115.31 122.63 1p80 h LEU 105 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1p80 h LEU 105 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1p80 h LEU 105 CO 0.64 0.07 0.00 -1.84 -0.34 0.00 0.00 178.44 176.97 1p80 n GLU 106 N -3.56 0.77 -2.49 1.25 0.28 -1.26 -4.59 120.64 111.04 1p80 n GLU 106 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.59 1p80 n GLU 106 Cb 0.19 -1.36 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1p80 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1p80 s ASP 107 N -1.78 6.32 0.44 -1.84 3.68 -0.92 -4.77 116.67 117.81 1p80 s ASP 107 Ca 0.26 -1.38 0.24 0.00 2.13 0.00 0.00 52.55 53.81 1p80 s ASP 107 Cb 0.12 -2.57 0.50 0.00 -1.45 0.00 0.00 42.92 39.52 1p80 s ASP 107 CO 0.20 -1.67 1.66 2.19 0.13 0.00 0.00 175.17 177.68 1p80 h PHE 108 N 9.94 0.00 -0.10 -5.34 -0.00 -1.91 -2.18 116.94 117.35 1p80 h PHE 108 Ca 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.08 1p80 h PHE 108 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 1p80 h PHE 108 CO 1.28 0.06 -0.26 0.82 -0.00 0.00 0.00 178.31 180.21 1p80 h ILE 109 N 0.00 1.39 -0.15 0.88 2.04 -1.98 -1.40 117.51 118.29 1p80 h ILE 109 Ca -0.00 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 1p80 h ILE 109 Cb 0.95 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1p80 h ILE 109 CO 0.01 0.46 0.09 0.25 0.00 0.00 0.00 178.15 178.95 1p80 h LEU 110 N -0.09 0.18 -0.82 1.44 5.85 -1.93 -2.43 115.31 117.51 1p80 h LEU 110 Ca -0.00 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1p80 h LEU 110 Cb 0.86 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1p80 h LEU 110 CO 0.06 0.20 0.35 0.03 -0.34 0.00 0.00 178.44 178.73 1p80 h ARG 111 N 0.15 1.21 -0.35 1.25 3.08 -1.40 -0.03 114.38 118.30 1p80 h ARG 111 Ca 0.05 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1p80 h ARG 111 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1p80 h ARG 111 CO -0.01 0.96 0.12 1.49 -1.07 0.00 0.00 179.97 181.46 1p80 h GLU 112 N 1.18 0.53 -0.48 0.04 4.81 -1.17 0.12 114.58 119.62 1p80 h GLU 112 Ca 0.28 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1p80 h GLU 112 Cb 0.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1p80 h GLU 112 CO -0.03 0.55 0.20 -0.22 -0.73 0.00 0.00 179.01 178.78 1p80 h LYS 113 N 0.41 0.70 -0.15 1.92 3.64 -1.08 -1.18 116.57 120.84 1p80 h LYS 113 Ca 0.11 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1p80 h LYS 113 Cb 0.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1p80 h LYS 113 CO -0.01 0.62 -0.58 0.82 -2.27 0.00 0.00 179.45 178.04 1p80 h ILE 114 N 0.63 1.34 -0.46 2.00 1.08 -0.97 -2.32 117.51 118.81 1p80 h ILE 114 Ca 0.16 -1.86 -0.02 0.00 -0.39 0.00 0.00 64.86 62.75 1p80 h ILE 114 Cb 0.17 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1p80 h ILE 114 CO -0.02 0.57 0.21 0.74 -0.69 0.00 0.00 178.15 178.97 1p80 h THR 115 N 0.36 1.19 -0.28 -0.27 2.02 -0.57 0.22 112.91 115.58 1p80 h THR 115 Ca 0.00 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1p80 h THR 115 Cb 1.11 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1p80 h THR 115 CO 0.10 0.21 0.15 -0.74 0.37 0.00 0.00 175.52 175.62 1p80 h HIS 116 N 0.60 0.39 -0.69 3.16 -0.00 -1.15 -2.38 115.15 115.07 1p80 h HIS 116 Ca 0.16 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.56 1p80 h HIS 116 Cb 0.14 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 1p80 h HIS 116 CO -0.01 0.33 0.41 0.35 -0.00 0.00 0.00 177.93 179.01 1p80 h PHE 117 N 0.34 0.75 0.00 5.26 3.57 -1.05 -2.20 116.94 123.61 1p80 h PHE 117 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1p80 h PHE 117 Cb 0.07 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1p80 h PHE 117 CO -0.03 0.39 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.95 1p80 h ASP 118 N 0.76 0.00 -0.27 0.41 3.45 -0.07 -2.64 116.42 118.06 1p80 h ASP 118 Ca 0.30 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.66 1p80 h ASP 118 Cb 0.13 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.84 1p80 h ASP 118 CO -0.15 0.04 -0.07 1.41 -1.57 0.00 0.00 179.24 178.90 1p80 n HIS 119 N -3.50 0.88 0.04 4.55 8.25 -0.84 -4.74 115.22 119.86 1p80 n HIS 119 Ca -0.02 -1.33 -0.04 0.00 -0.26 0.00 0.00 57.72 56.06 1p80 n HIS 119 Cb 0.15 -0.40 0.17 0.00 1.12 0.00 0.00 29.99 31.03 1p80 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p80 h GLU 120 N 1.13 0.40 -6.56 -0.41 5.08 -1.29 -3.45 114.58 109.47 1p80 h GLU 120 Ca 0.13 -0.19 -0.52 0.00 -1.00 0.00 0.00 59.36 57.77 1p80 h GLU 120 Cb 1.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 1p80 h GLU 120 CO 0.28 0.74 0.08 1.03 -1.00 0.00 0.00 179.01 180.14 1p80 s ARG 121 N -4.19 4.16 0.25 2.33 1.81 -1.26 -5.09 118.95 116.95 1p80 s ARG 121 Ca -0.06 0.77 0.10 0.00 -1.72 0.00 0.00 55.73 54.81 1p80 s ARG 121 Cb 0.13 -2.79 -0.05 0.00 -0.45 0.00 0.00 34.95 31.79 1p80 s ARG 121 CO 0.80 0.36 -0.16 0.96 -0.68 0.00 0.00 175.30 176.57 1p80 s ILE 122 N -1.61 2.08 0.31 1.52 -4.36 -1.26 -5.11 121.20 112.77 1p80 s ILE 122 Ca 0.45 -2.29 -0.29 0.00 -0.26 0.00 0.00 60.65 58.25 1p80 s ILE 122 Cb -0.15 -2.22 -0.13 0.00 1.25 0.00 0.00 42.46 41.22 1p80 s ILE 122 CO 0.20 -0.47 1.30 -2.65 0.24 0.00 0.00 174.94 173.56 1p80 n PRO 123 N -0.52 2.03 -1.75 0.37 -0.02 -1.26 -4.98 135.00 128.87 1p80 n PRO 123 Ca -0.06 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1p80 n PRO 123 Cb 0.61 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1p80 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1p80 s GLU 124 N -1.41 1.96 0.50 -0.52 -1.05 -1.26 -4.90 118.70 112.02 1p80 s GLU 124 Ca 0.59 0.31 -0.24 0.00 -0.15 0.00 0.00 54.97 55.49 1p80 s GLU 124 Cb -0.60 -1.93 -0.07 0.00 -0.44 0.00 0.00 34.13 31.09 1p80 s GLU 124 CO 0.58 -1.64 1.39 0.54 0.95 0.00 0.00 175.26 177.09 1p80 n ARG 125 N -3.39 1.97 -0.27 -4.83 1.74 -1.26 -4.91 116.66 105.72 1p80 n ARG 125 Ca 0.07 0.71 -0.05 0.00 -0.77 0.00 0.00 57.85 57.82 1p80 n ARG 125 Cb 0.59 -2.60 0.06 0.00 -1.02 0.00 0.00 32.46 29.49 1p80 n ARG 125 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1p80 h ILE 126 N 1.86 1.20 -3.36 0.55 6.09 -1.98 -3.37 117.51 118.50 1p80 h ILE 126 Ca -0.51 -0.40 -0.33 0.00 -1.37 0.00 0.00 64.86 62.25 1p80 h ILE 126 Cb 1.29 0.12 -0.15 0.00 0.47 0.00 0.00 36.82 38.55 1p80 h ILE 126 CO 0.59 0.20 -0.71 0.68 -3.07 0.00 0.00 178.15 175.84 1p80 s VAL 127 N -6.07 1.19 -1.54 2.19 -7.23 -1.26 -4.83 120.40 102.85 1p80 s VAL 127 Ca -0.13 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 57.94 1p80 s VAL 127 Cb 0.15 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1p80 s VAL 127 CO 0.78 -0.72 0.37 1.41 -0.31 0.00 0.00 175.10 176.64 1p80 n HIS 128 N -0.22 -1.52 0.22 2.82 8.25 -0.54 -4.90 115.22 119.35 1p80 n HIS 128 Ca -0.10 0.32 0.05 0.00 -0.26 0.00 0.00 57.72 57.73 1p80 n HIS 128 Cb 0.61 -4.11 0.51 0.00 1.12 0.00 0.00 29.99 28.11 1p80 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p80 h ALA 129 N 0.94 1.68 -2.35 -1.41 0.00 -1.73 -3.39 119.26 113.00 1p80 h ALA 129 Ca -0.49 -0.17 -0.67 0.00 0.00 0.00 0.00 54.91 53.58 1p80 h ALA 129 Cb 1.34 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.93 1p80 h ALA 129 CO 0.54 0.23 -0.10 0.50 0.00 0.00 0.00 179.25 180.41 1p80 s ARG 130 N -4.62 3.26 0.14 0.00 6.06 -1.25 -4.04 118.95 118.49 1p80 s ARG 130 Ca -0.04 -0.54 -0.14 0.00 -2.50 0.00 0.00 55.73 52.51 1p80 s ARG 130 Cb 0.16 -3.93 0.02 0.00 0.06 0.00 0.00 34.95 31.26 1p80 s ARG 130 CO 0.69 -0.84 0.37 0.20 -2.50 0.00 0.00 175.30 173.23 1p80 s GLY 131 N 1.85 -0.07 -0.01 8.12 0.00 -1.26 -1.69 107.32 114.25 1p80 s GLY 131 Ca 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1p80 s GLY 131 CO 0.15 -0.46 -0.03 -0.56 0.00 0.00 0.00 173.10 172.19 1p80 s SER 132 N -2.85 0.54 0.09 1.64 0.01 0.28 -4.94 113.70 108.48 1p80 s SER 132 Ca 0.06 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1p80 s SER 132 Cb 0.02 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1p80 s SER 132 CO -0.09 0.01 -0.08 0.00 0.41 0.00 0.00 173.24 173.49 1p80 s ALA 133 N 0.26 1.02 0.13 1.44 0.00 -1.26 -0.75 121.76 122.59 1p80 s ALA 133 Ca -0.03 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 1p80 s ALA 133 Cb -0.06 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1p80 s ALA 133 CO -0.00 -0.12 0.39 0.00 0.00 0.00 0.00 175.76 176.03 1p80 s ALA 134 N -2.85 -0.87 0.28 0.00 0.00 -0.60 -4.51 121.76 113.21 1p80 s ALA 134 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1p80 s ALA 134 Cb -0.00 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1p80 s ALA 134 CO -0.02 -0.64 0.54 -1.01 0.00 0.00 0.00 175.76 174.63 1p80 s HIS 135 N -3.81 3.48 0.00 0.00 3.76 0.16 -1.51 115.29 117.36 1p80 s HIS 135 Ca 0.03 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 1p80 s HIS 135 Cb 0.02 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.65 1p80 s HIS 135 CO -0.12 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 1p80 n GLY 136 N -0.97 2.26 3.28 -2.22 0.00 -0.40 -1.40 105.19 105.75 1p80 n GLY 136 Ca -0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1p80 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p80 s TYR 137 N -1.56 -0.14 0.07 1.61 -0.85 -0.37 -1.21 117.35 114.91 1p80 s TYR 137 Ca 0.00 -0.09 0.07 0.00 -0.52 0.00 0.00 57.07 56.53 1p80 s TYR 137 Cb 0.00 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 1p80 s TYR 137 CO 0.00 -0.60 -0.19 0.12 -1.52 0.00 0.00 175.55 173.36 1p80 s PHE 138 N -3.20 1.67 -0.12 -3.49 5.36 0.52 -1.00 117.98 117.72 1p80 s PHE 138 Ca -0.01 -0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 55.48 1p80 s PHE 138 Cb 0.01 -0.95 0.04 0.00 -0.34 0.00 0.00 43.02 41.78 1p80 s PHE 138 CO -0.07 0.13 0.29 -1.14 -1.46 0.00 0.00 175.22 172.97 1p80 s GLN 139 N -1.56 0.31 0.73 10.12 0.74 -0.71 -0.86 119.66 128.43 1p80 s GLN 139 Ca 0.05 0.49 -0.11 0.00 0.05 0.00 0.00 55.36 55.84 1p80 s GLN 139 Cb -0.09 0.05 0.03 0.00 1.10 0.00 0.00 33.01 34.10 1p80 s GLN 139 CO 0.03 -0.09 1.08 -1.25 -0.55 0.00 0.00 175.29 174.51 1p80 s PRO 140 N 0.65 2.60 0.17 1.67 0.05 -1.26 -1.52 135.00 137.36 1p80 s PRO 140 Ca -0.04 1.11 0.23 0.00 0.05 0.00 0.00 61.00 62.35 1p80 s PRO 140 Cb -0.05 -1.94 0.10 0.00 0.05 0.00 0.00 34.50 32.65 1p80 s PRO 140 CO -0.04 -1.37 1.12 1.88 0.05 0.00 0.00 177.00 178.64 1p80 h TYR 141 N -0.81 0.00 -2.35 0.56 0.99 -1.39 -3.40 116.97 110.58 1p80 h TYR 141 Ca -0.44 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.43 1p80 h TYR 141 Cb 1.22 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 38.84 1p80 h TYR 141 CO 0.59 0.00 0.48 -1.59 -0.00 0.00 0.00 178.16 177.64 1p80 s LYS 142 N -3.29 1.03 0.19 4.88 -2.85 -1.26 -4.85 119.74 113.59 1p80 s LYS 142 Ca 0.02 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.19 1p80 s LYS 142 Cb 0.11 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 1p80 s LYS 142 CO 0.77 -0.47 1.26 0.45 0.10 0.00 0.00 175.35 177.46 1p80 s SER 143 N -2.73 6.98 -0.27 0.03 0.15 -1.26 -4.51 113.70 112.09 1p80 s SER 143 Ca 0.08 2.31 0.12 0.00 0.70 0.00 0.00 55.95 59.17 1p80 s SER 143 Cb -0.01 -2.61 0.64 0.00 -1.71 0.00 0.00 66.02 62.33 1p80 s SER 143 CO -0.03 -0.46 1.63 0.18 1.20 0.00 0.00 173.24 175.75 1p80 n LEU 144 N 2.65 5.07 0.31 3.45 4.77 -0.01 -4.70 117.00 128.54 1p80 n LEU 144 Ca 0.06 -3.27 0.19 0.00 -0.03 0.00 0.00 56.01 52.96 1p80 n LEU 144 Cb 0.44 -0.67 1.04 0.00 -2.33 0.00 0.00 43.42 41.90 1p80 n LEU 144 CO 0.57 0.85 1.16 0.77 -1.33 0.00 0.00 177.39 179.41 1p80 h SER 145 N 2.10 0.00 0.74 -1.43 4.64 -1.77 0.64 113.55 118.48 1p80 h SER 145 Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1p80 h SER 145 Cb 1.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.02 1p80 h SER 145 CO 0.52 0.00 -0.33 0.44 -0.87 0.00 0.00 176.83 176.59 1p80 h ASP 146 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.32 116.42 119.54 1p80 h ASP 146 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1p80 h ASP 146 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1p80 h ASP 146 CO -0.00 0.33 -1.12 2.30 -1.57 0.00 0.00 179.24 179.18 1p80 n ILE 147 N -3.59 0.00 -3.72 0.35 -5.35 0.02 -4.86 119.36 102.21 1p80 n ILE 147 Ca -0.01 -0.20 -0.14 0.00 -0.27 0.00 0.00 62.75 62.13 1p80 n ILE 147 Cb 0.46 0.47 -0.09 0.00 -1.74 0.00 0.00 39.64 38.75 1p80 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p80 s THR 148 N -2.33 0.03 -2.03 7.28 -1.32 -0.08 -3.34 115.64 113.87 1p80 s THR 148 Ca -0.02 -0.26 0.18 0.00 -1.21 0.00 0.00 61.69 60.38 1p80 s THR 148 Cb 0.05 -0.66 0.50 0.00 -1.51 0.00 0.00 72.50 70.88 1p80 s THR 148 CO 0.30 -0.14 1.42 2.29 -2.21 0.00 0.00 174.62 176.28 1p80 n LYS 149 N 1.71 2.32 -1.68 7.08 2.85 -0.27 -3.67 118.16 126.51 1p80 n LYS 149 Ca -0.19 -2.05 -0.47 0.00 -1.05 0.00 0.00 58.31 54.55 1p80 n LYS 149 Cb 0.56 -1.45 -0.04 0.00 -0.65 0.00 0.00 35.03 33.45 1p80 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p80 n ALA 150 N 1.17 1.10 -0.34 0.58 0.00 -1.22 -4.70 120.51 117.09 1p80 n ALA 150 Ca 0.19 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 1p80 n ALA 150 Cb 0.48 -2.48 0.15 0.00 0.00 0.00 0.00 19.45 17.60 1p80 n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1p80 h ASP 151 N 8.48 1.08 0.44 0.00 3.58 -1.92 -1.84 116.42 126.24 1p80 h ASP 151 Ca -0.48 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1p80 h ASP 151 Cb 1.26 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1p80 h ASP 151 CO 0.93 0.78 0.00 2.22 -2.88 0.00 0.00 179.24 180.29 1p80 n PHE 152 N -4.40 0.74 -0.38 0.28 1.16 -1.26 -1.83 117.46 111.77 1p80 n PHE 152 Ca 0.11 0.32 0.07 0.00 -1.87 0.00 0.00 57.45 56.09 1p80 n PHE 152 Cb 0.02 -1.02 0.21 0.00 -1.61 0.00 0.00 39.48 37.08 1p80 n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1p80 n LEU 153 N -2.21 3.40 0.08 5.98 4.77 -0.70 -4.66 117.00 123.66 1p80 n LEU 153 Ca 0.01 -2.22 0.12 0.00 -0.03 0.00 0.00 56.01 53.89 1p80 n LEU 153 Cb 0.15 -0.35 0.18 0.00 -2.33 0.00 0.00 43.42 41.07 1p80 n LEU 153 CO 0.15 0.76 0.40 0.77 -1.33 0.00 0.00 177.39 178.15 1p80 h SER 154 N 2.46 0.00 -3.95 -1.43 4.64 -1.29 0.01 113.55 113.99 1p80 h SER 154 Ca 0.00 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 1p80 h SER 154 Cb 0.96 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.83 1p80 h SER 154 CO 0.06 0.08 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1p80 s ASP 155 N -4.49 -0.64 0.53 4.97 3.68 -1.26 -4.47 116.67 115.00 1p80 s ASP 155 Ca 0.06 1.23 0.29 0.00 2.13 0.00 0.00 52.55 56.25 1p80 s ASP 155 Cb 0.12 1.24 1.51 0.00 -1.45 0.00 0.00 42.92 44.34 1p80 s ASP 155 CO 0.71 -0.21 2.09 1.55 0.13 0.00 0.00 175.17 179.44 1p80 h PRO 156 N 5.19 0.00 -0.15 4.34 0.13 -1.79 -0.58 132.00 139.14 1p80 h PRO 156 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1p80 h PRO 156 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p80 h PRO 156 CO 0.12 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.08 1p80 n ASN 157 N -3.59 1.22 -4.57 1.44 5.03 -1.26 -4.39 115.26 109.14 1p80 n ASN 157 Ca -0.02 -1.72 -0.43 0.00 0.87 0.00 0.00 54.58 53.29 1p80 n ASN 157 Cb 0.23 -0.10 -0.04 0.00 -1.02 0.00 0.00 39.78 38.85 1p80 n ASN 157 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1p80 s LYS 158 N -1.81 3.59 -0.23 3.52 2.20 -0.23 -5.01 119.74 121.77 1p80 s LYS 158 Ca 0.28 0.21 -0.13 0.00 -0.36 0.00 0.00 55.97 55.97 1p80 s LYS 158 Cb 0.14 -3.90 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1p80 s LYS 158 CO 0.22 -1.13 0.26 0.42 -0.36 0.00 0.00 175.35 174.76 1p80 s ILE 159 N 3.58 5.29 -0.20 5.43 1.01 -1.26 -4.33 121.20 130.72 1p80 s ILE 159 Ca 0.36 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 1p80 s ILE 159 Cb -0.11 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1p80 s ILE 159 CO 0.24 0.29 -0.10 -0.89 0.00 0.00 0.00 174.94 174.47 1p80 s THR 160 N 1.27 2.91 0.54 2.92 2.01 -0.04 -4.96 115.64 120.30 1p80 s THR 160 Ca 0.12 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 1p80 s THR 160 Cb -0.14 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1p80 s THR 160 CO 0.07 0.47 1.34 -2.84 -0.69 0.00 0.00 174.62 172.97 1p80 s PRO 161 N 1.28 3.17 0.10 4.92 0.02 -1.26 -0.35 135.00 142.88 1p80 s PRO 161 Ca 0.03 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.26 1p80 s PRO 161 Cb -0.14 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 1p80 s PRO 161 CO -0.05 -1.15 -0.07 0.14 -0.33 0.00 0.00 177.00 175.54 1p80 s VAL 162 N -1.33 0.76 -0.07 3.83 -7.23 -0.35 -1.56 120.40 114.45 1p80 s VAL 162 Ca 0.71 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1p80 s VAL 162 Cb -0.39 -1.58 0.03 0.00 0.56 0.00 0.00 36.38 35.00 1p80 s VAL 162 CO 0.46 -0.79 -0.02 0.12 -0.31 0.00 0.00 175.10 174.57 1p80 s PHE 163 N -3.28 0.81 -0.07 2.82 5.36 -0.76 -1.27 117.98 121.58 1p80 s PHE 163 Ca 0.10 -0.27 0.04 0.00 -0.96 0.00 0.00 56.93 55.85 1p80 s PHE 163 Cb 0.03 -0.86 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 1p80 s PHE 163 CO -0.03 -0.34 -0.21 0.08 -1.46 0.00 0.00 175.22 173.26 1p80 s VAL 164 N 1.80 2.44 -0.11 3.12 1.01 -0.57 -0.49 120.40 127.61 1p80 s VAL 164 Ca 0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1p80 s VAL 164 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1p80 s VAL 164 CO -0.05 0.56 -0.20 -0.60 0.00 0.00 0.00 175.10 174.82 1p80 s ARG 165 N -0.12 2.65 0.07 2.72 3.52 0.02 -1.56 118.95 126.25 1p80 s ARG 165 Ca -0.04 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 54.85 1p80 s ARG 165 Cb -0.14 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 1p80 s ARG 165 CO 0.04 0.05 0.14 -0.06 -0.81 0.00 0.00 175.30 174.66 1p80 s PHE 166 N 0.66 3.33 0.26 5.12 0.40 0.07 -1.60 117.98 126.23 1p80 s PHE 166 Ca -0.12 0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 1p80 s PHE 166 Cb -0.16 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.71 1p80 s PHE 166 CO 0.03 0.55 0.73 -1.54 0.70 0.00 0.00 175.22 175.69 1p80 s SER 167 N -2.42 -0.28 0.67 1.36 1.04 -0.63 -0.56 113.70 112.89 1p80 s SER 167 Ca 0.32 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.24 1p80 s SER 167 Cb -0.13 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.81 1p80 s SER 167 CO 0.24 -1.28 0.93 0.42 0.98 0.00 0.00 173.24 174.52 1p80 s THR 168 N -3.85 2.06 -0.22 2.02 -4.23 -0.68 -0.04 115.64 110.69 1p80 s THR 168 Ca 0.10 -0.79 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 1p80 s THR 168 Cb -0.05 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.42 1p80 s THR 168 CO 0.05 0.00 -0.31 0.52 -0.54 0.00 0.00 174.62 174.34 1p80 n VAL 169 N -2.61 1.35 -0.05 2.29 0.31 -1.24 -3.76 118.33 114.62 1p80 n VAL 169 Ca 0.16 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 1p80 n VAL 169 Cb 0.61 -1.91 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 1p80 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1p80 h GLN 170 N -0.86 -0.02 -7.26 5.55 4.15 -1.90 -1.43 115.11 113.34 1p80 h GLN 170 Ca -0.49 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.43 1p80 h GLN 170 Cb 1.40 0.01 0.19 0.00 0.21 0.00 0.00 27.48 29.29 1p80 h GLN 170 CO -0.30 0.61 0.19 0.20 -1.93 0.00 0.00 178.83 177.61 1p80 s GLY 171 N -3.89 1.65 0.96 2.39 0.00 -1.25 -4.88 107.32 102.29 1p80 s GLY 171 Ca -0.13 0.34 -0.16 0.00 0.00 0.00 0.00 44.72 44.77 1p80 s GLY 171 CO 0.46 0.82 1.03 0.61 0.00 0.00 0.00 173.10 176.02 1p80 n GLY 172 N 0.03 -2.16 0.26 0.20 0.00 -1.26 -3.84 105.19 98.41 1p80 n GLY 172 Ca 0.09 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.66 1p80 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p80 h ALA 173 N -2.28 1.18 -0.66 4.61 0.00 -1.95 -1.29 119.26 118.87 1p80 h ALA 173 Ca -0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p80 h ALA 173 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1p80 h ALA 173 CO 0.24 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1p80 n GLY 174 N -0.44 2.62 3.95 0.00 0.00 -1.26 -4.71 105.19 105.36 1p80 n GLY 174 Ca -0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1p80 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p80 s SER 175 N -0.90 3.23 0.32 1.61 1.04 -0.49 -5.06 113.70 113.45 1p80 s SER 175 Ca 0.51 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.95 1p80 s SER 175 Cb 0.32 -0.17 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 1p80 s SER 175 CO 0.26 -2.64 0.65 0.00 0.98 0.00 0.00 173.24 172.49 1p80 s ALA 176 N -3.78 3.48 -0.07 5.32 0.00 -1.26 -4.92 121.76 120.53 1p80 s ALA 176 Ca 0.74 -0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 1p80 s ALA 176 Cb -0.03 -2.52 -0.24 0.00 0.00 0.00 0.00 23.12 20.32 1p80 s ALA 176 CO 0.52 0.21 0.98 -0.44 0.00 0.00 0.00 175.76 177.03 1p80 h ASP 177 N 1.75 0.17 -0.34 0.00 3.45 -1.07 -3.36 116.42 117.02 1p80 h ASP 177 Ca -0.47 -0.82 -0.23 0.00 0.43 0.00 0.00 57.03 55.94 1p80 h ASP 177 Cb 1.18 -0.05 -0.10 0.00 -0.56 0.00 0.00 39.33 39.80 1p80 h ASP 177 CO 0.66 0.97 0.30 0.35 -1.57 0.00 0.00 179.24 179.94 1p80 n THR 178 N -4.53 2.54 -1.47 0.35 -2.24 -1.26 -4.91 114.28 102.75 1p80 n THR 178 Ca -0.10 -1.32 -0.29 0.00 -2.27 0.00 0.00 64.05 60.07 1p80 n THR 178 Cb 0.50 -1.37 0.12 0.00 -2.10 0.00 0.00 70.33 67.48 1p80 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p80 s VAL 179 N -1.65 2.54 -0.43 2.28 -7.23 -1.26 -4.38 120.40 110.27 1p80 s VAL 179 Ca 0.22 0.17 -0.22 0.00 -1.81 0.00 0.00 61.98 60.35 1p80 s VAL 179 Cb 0.18 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.27 1p80 s VAL 179 CO -0.00 -0.23 0.71 -0.60 -0.31 0.00 0.00 175.10 174.67 1p80 s ARG 180 N -5.16 3.39 0.21 4.82 3.52 -1.26 -4.63 118.95 119.84 1p80 s ARG 180 Ca 0.63 -0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.81 1p80 s ARG 180 Cb -0.15 -3.93 0.05 0.00 -1.56 0.00 0.00 34.95 29.36 1p80 s ARG 180 CO 0.54 -1.02 0.73 -0.65 -0.81 0.00 0.00 175.30 174.09 1p80 s GLN 181 N 3.01 1.49 0.55 5.12 -1.52 -0.86 -4.48 119.66 122.98 1p80 s GLN 181 Ca 0.26 -0.74 -0.18 0.00 -1.95 0.00 0.00 55.36 52.74 1p80 s GLN 181 Cb -0.13 0.56 -0.05 0.00 -0.22 0.00 0.00 33.01 33.17 1p80 s GLN 181 CO 0.20 -0.67 1.09 0.42 -0.25 0.00 0.00 175.29 176.07 1p80 s ILE 182 N -3.73 3.47 0.03 1.08 -1.09 -1.26 -4.55 121.20 115.15 1p80 s ILE 182 Ca 0.08 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.38 1p80 s ILE 182 Cb -0.04 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1p80 s ILE 182 CO -0.01 -0.27 -0.06 -0.13 -1.23 0.00 0.00 174.94 173.25 1p80 s ARG 183 N -3.51 2.52 0.21 2.79 1.81 -1.26 -3.59 118.95 117.91 1p80 s ARG 183 Ca 0.69 -0.77 -0.09 0.00 -1.72 0.00 0.00 55.73 53.84 1p80 s ARG 183 Cb -0.20 -2.50 -0.07 0.00 -0.45 0.00 0.00 34.95 31.74 1p80 s ARG 183 CO 0.28 0.58 0.52 0.20 -0.68 0.00 0.00 175.30 176.20 1p80 s GLY 184 N -1.66 2.28 -0.33 -3.53 0.00 0.94 -0.82 107.32 104.19 1p80 s GLY 184 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1p80 s GLY 184 CO 0.10 -0.19 0.28 -0.12 0.00 0.00 0.00 173.10 173.17 1p80 s PHE 185 N -1.78 -0.06 -0.14 1.90 2.19 0.65 -1.60 117.98 119.14 1p80 s PHE 185 Ca 0.46 -0.79 -0.02 0.00 0.33 0.00 0.00 56.93 56.91 1p80 s PHE 185 Cb -0.11 -0.59 -0.02 0.00 -1.31 0.00 0.00 43.02 40.98 1p80 s PHE 185 CO 0.22 -0.91 -0.09 0.00 1.83 0.00 0.00 175.22 176.27 1p80 s ALA 186 N 1.74 2.77 -0.11 11.12 0.00 -0.62 -0.99 121.76 135.66 1p80 s ALA 186 Ca 0.14 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1p80 s ALA 186 Cb -0.17 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1p80 s ALA 186 CO -0.16 0.20 -0.17 0.99 0.00 0.00 0.00 175.76 176.62 1p80 s THR 187 N 0.41 1.62 -0.32 0.00 2.01 -0.06 -0.80 115.64 118.49 1p80 s THR 187 Ca -0.07 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 1p80 s THR 187 Cb -0.15 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1p80 s THR 187 CO 0.04 0.46 0.22 -0.75 -0.69 0.00 0.00 174.62 173.91 1p80 s LYS 188 N 0.83 3.56 -0.31 4.92 2.20 0.35 -0.88 119.74 130.42 1p80 s LYS 188 Ca -0.09 -0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 54.78 1p80 s LYS 188 Cb -0.16 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1p80 s LYS 188 CO 0.00 -0.39 0.32 -0.06 -0.36 0.00 0.00 175.35 174.86 1p80 s PHE 189 N 1.72 3.22 -1.17 4.03 0.40 0.81 -1.84 117.98 125.15 1p80 s PHE 189 Ca 0.06 0.09 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 1p80 s PHE 189 Cb -0.17 -2.57 0.14 0.00 0.51 0.00 0.00 43.02 40.93 1p80 s PHE 189 CO 0.10 -0.32 1.44 0.71 0.70 0.00 0.00 175.22 177.85 1p80 s TYR 190 N 1.95 3.26 0.72 0.36 2.02 -0.60 -1.82 117.35 123.24 1p80 s TYR 190 Ca 0.11 -1.85 -0.09 0.00 -0.37 0.00 0.00 57.07 54.87 1p80 s TYR 190 Cb -0.16 -4.41 0.05 0.00 -0.40 0.00 0.00 41.96 37.04 1p80 s TYR 190 CO 0.11 -1.51 1.05 0.95 -1.57 0.00 0.00 175.55 174.58 1p80 s THR 191 N 2.41 2.57 -0.89 -0.71 -4.23 -1.00 -4.38 115.64 109.42 1p80 s THR 191 Ca 0.43 -0.05 0.20 0.00 -1.18 0.00 0.00 61.69 61.09 1p80 s THR 191 Cb -0.02 -3.13 0.18 0.00 1.34 0.00 0.00 72.50 70.87 1p80 s THR 191 CO -0.01 -0.16 1.64 -0.62 -0.54 0.00 0.00 174.62 174.94 1p80 n GLU 192 N -2.99 0.06 -0.25 3.99 1.02 -1.26 -2.77 120.64 118.43 1p80 n GLU 192 Ca 0.07 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.52 1p80 n GLU 192 Cb 0.60 -1.59 0.16 0.00 -0.02 0.00 0.00 31.44 30.59 1p80 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p80 n GLU 193 N -1.69 1.40 0.00 3.49 1.02 -1.26 -4.85 120.64 118.75 1p80 n GLU 193 Ca 0.04 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.35 1p80 n GLU 193 Cb 0.24 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1p80 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p80 n GLY 194 N -1.32 2.95 3.71 0.62 0.00 -1.12 -4.76 105.19 105.27 1p80 n GLY 194 Ca 0.17 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1p80 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 195 N -2.59 4.41 -0.20 -0.61 -1.09 -1.26 -2.37 121.20 117.49 1p80 s ILE 195 Ca 0.00 1.73 -0.02 0.00 -2.23 0.00 0.00 60.65 60.12 1p80 s ILE 195 Cb 0.00 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1p80 s ILE 195 CO 0.00 0.11 -0.09 0.12 -1.23 0.00 0.00 174.94 173.85 1p80 s PHE 196 N 1.25 2.90 -0.25 3.97 5.36 -0.75 -4.24 117.98 126.22 1p80 s PHE 196 Ca 0.55 -1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 55.37 1p80 s PHE 196 Cb -0.25 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1p80 s PHE 196 CO 0.27 -0.58 0.07 -0.51 -1.46 0.00 0.00 175.22 173.01 1p80 s ASP 197 N 1.32 5.12 -0.49 6.13 -0.00 -0.58 -0.14 116.67 128.04 1p80 s ASP 197 Ca 0.04 -0.20 -0.12 0.00 -0.00 0.00 0.00 52.55 52.26 1p80 s ASP 197 Cb -0.14 -1.92 0.11 0.00 -0.00 0.00 0.00 42.92 40.97 1p80 s ASP 197 CO -0.05 -0.03 0.39 -0.22 -0.00 0.00 0.00 175.17 175.27 1p80 s LEU 198 N 1.57 5.77 -0.72 1.23 2.96 -0.05 -4.44 118.68 125.00 1p80 s LEU 198 Ca 0.06 -1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 52.11 1p80 s LEU 198 Cb -0.15 -2.10 0.19 0.00 0.50 0.00 0.00 46.19 44.63 1p80 s LEU 198 CO 0.03 -0.72 0.64 -0.69 -1.32 0.00 0.00 176.35 174.29 1p80 s VAL 199 N 1.49 5.12 0.26 1.68 1.01 -1.26 -0.88 120.40 127.82 1p80 s VAL 199 Ca 0.04 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.69 1p80 s VAL 199 Cb -0.27 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1p80 s VAL 199 CO 0.02 -0.96 0.06 0.61 0.00 0.00 0.00 175.10 174.83 1p80 n GLY 200 N 4.18 3.61 3.53 4.51 0.00 -0.16 -4.90 105.19 115.96 1p80 n GLY 200 Ca 0.06 -2.28 -0.26 0.00 0.00 0.00 0.00 46.02 43.55 1p80 n GLY 200 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p80 s ASN 201 N -2.48 2.86 0.00 1.61 0.01 -0.67 -0.25 114.94 116.02 1p80 s ASN 201 Ca 0.04 -1.63 0.16 0.00 -0.71 0.00 0.00 52.86 50.72 1p80 s ASN 201 Cb -0.00 0.42 0.46 0.00 0.41 0.00 0.00 41.25 42.53 1p80 s ASN 201 CO 0.03 -0.87 1.38 -0.46 -1.51 0.00 0.00 177.10 175.66 1p80 n ASN 202 N -1.21 2.62 -4.14 -1.22 6.94 -0.00 -0.32 115.26 117.92 1p80 n ASN 202 Ca -0.07 -1.98 -0.17 0.00 -0.02 0.00 0.00 54.58 52.34 1p80 n ASN 202 Cb 0.65 -0.31 -0.12 0.00 -2.36 0.00 0.00 39.78 37.64 1p80 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1p80 s THR 203 N -1.37 0.96 -1.70 5.53 -4.23 -1.26 -4.56 115.64 109.01 1p80 s THR 203 Ca 0.33 -1.26 0.28 0.00 -1.18 0.00 0.00 61.69 59.86 1p80 s THR 203 Cb 0.17 -0.97 0.64 0.00 1.34 0.00 0.00 72.50 73.69 1p80 s THR 203 CO 0.23 -0.28 2.00 -0.81 -0.54 0.00 0.00 174.62 175.22 1p80 n PRO 204 N 1.29 0.63 -4.29 3.99 -0.04 -1.26 -4.58 135.00 130.74 1p80 n PRO 204 Ca -0.21 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 1p80 n PRO 204 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1p80 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1p80 s ILE 205 N -2.30 0.32 0.45 0.52 -0.00 -1.26 -4.52 121.20 114.41 1p80 s ILE 205 Ca 0.34 -2.00 0.06 0.00 -0.00 0.00 0.00 60.65 59.05 1p80 s ILE 205 Cb 0.19 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.46 40.06 1p80 s ILE 205 CO 0.38 0.00 0.17 0.12 -0.00 0.00 0.00 174.94 175.61 1p80 s PHE 206 N -3.83 2.28 0.21 1.37 2.19 0.39 -4.89 117.98 115.70 1p80 s PHE 206 Ca 0.38 -0.71 0.05 0.00 0.33 0.00 0.00 56.93 56.98 1p80 s PHE 206 Cb 0.07 -1.87 0.15 0.00 -1.31 0.00 0.00 43.02 40.06 1p80 s PHE 206 CO 0.14 0.10 1.49 0.74 1.83 0.00 0.00 175.22 179.53 1p80 h PHE 207 N 1.33 0.21 -2.88 10.12 -1.00 -1.88 -3.39 116.94 119.43 1p80 h PHE 207 Ca -0.42 -0.10 -0.45 0.00 2.81 0.00 0.00 57.97 59.82 1p80 h PHE 207 Cb 1.27 -0.03 -0.14 0.00 3.61 0.00 0.00 35.95 40.66 1p80 h PHE 207 CO 0.87 0.82 -0.72 0.96 -1.61 0.00 0.00 178.31 178.64 1p80 s ILE 208 N -3.46 1.67 -0.12 -0.55 -4.36 -1.26 -2.69 121.20 110.42 1p80 s ILE 208 Ca -0.03 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.20 1p80 s ILE 208 Cb 0.11 -2.11 -0.24 0.00 1.25 0.00 0.00 42.46 41.48 1p80 s ILE 208 CO 0.80 -0.55 0.35 0.00 0.24 0.00 0.00 174.94 175.78 1p80 n GLN 209 N -0.40 0.70 -5.06 0.37 6.02 -1.26 -4.65 117.38 113.10 1p80 n GLN 209 Ca -0.08 0.23 -0.28 0.00 -0.01 0.00 0.00 57.00 56.86 1p80 n GLN 209 Cb 0.61 -1.69 -0.16 0.00 1.02 0.00 0.00 30.24 30.02 1p80 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1p80 s ASP 210 N -6.57 2.59 0.58 1.08 -1.08 -1.26 -2.99 116.67 109.01 1p80 s ASP 210 Ca -0.18 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 51.70 1p80 s ASP 210 Cb 0.07 -0.59 1.58 0.00 -1.46 0.00 0.00 42.92 42.52 1p80 s ASP 210 CO 0.77 0.22 2.07 0.00 0.52 0.00 0.00 175.17 178.75 1p80 h ALA 211 N 5.99 1.95 -0.46 3.66 0.00 -1.71 -2.22 119.26 126.47 1p80 h ALA 211 Ca -0.35 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.69 1p80 h ALA 211 Cb 1.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1p80 h ALA 211 CO 0.47 -0.36 0.34 1.25 0.00 0.00 0.00 179.25 180.95 1p80 h HIS 212 N 0.00 0.00 -0.02 0.00 6.17 -1.96 -0.73 115.15 118.61 1p80 h HIS 212 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1p80 h HIS 212 Cb 0.59 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.52 1p80 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1p80 n LYS 213 N -4.36 1.65 -0.09 5.26 5.02 -0.83 -4.45 118.16 120.35 1p80 n LYS 213 Ca 0.08 -0.94 -0.07 0.00 -2.02 0.00 0.00 58.31 55.36 1p80 n LYS 213 Cb 0.55 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1p80 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1p80 h PHE 214 N 2.27 0.23 -0.78 2.13 3.04 -1.27 -1.10 116.94 121.45 1p80 h PHE 214 Ca 0.00 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.02 1p80 h PHE 214 Cb 0.48 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 1p80 h PHE 214 CO 0.01 0.11 0.51 -1.35 -2.02 0.00 0.00 178.31 175.56 1p80 h PRO 215 N 0.28 0.86 0.09 6.41 0.11 -1.80 0.11 132.00 138.06 1p80 h PRO 215 Ca 0.15 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1p80 h PRO 215 Cb 0.10 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1p80 h PRO 215 CO -0.14 0.57 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.74 1p80 h ASP 216 N 0.89 -0.11 -0.33 -2.05 3.45 -1.60 0.37 116.42 117.04 1p80 h ASP 216 Ca 0.32 -0.34 0.04 0.00 0.43 0.00 0.00 57.03 57.49 1p80 h ASP 216 Cb 0.16 0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 38.92 1p80 h ASP 216 CO -0.11 0.29 0.10 0.15 -1.57 0.00 0.00 179.24 178.11 1p80 h PHE 217 N -0.53 0.19 -0.40 4.55 3.04 -0.97 -0.25 116.94 122.57 1p80 h PHE 217 Ca -0.01 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1p80 h PHE 217 Cb 0.44 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 1p80 h PHE 217 CO 0.05 0.07 0.13 0.28 -2.02 0.00 0.00 178.31 176.83 1p80 h VAL 218 N 0.24 1.21 -0.86 1.41 2.07 -0.79 -1.55 116.25 117.98 1p80 h VAL 218 Ca 0.15 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1p80 h VAL 218 Cb 0.13 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1p80 h VAL 218 CO -0.16 0.24 0.57 0.45 0.02 0.00 0.00 177.57 178.69 1p80 h HIS 219 N 0.50 1.06 -0.68 1.57 3.86 -0.72 -0.53 115.15 120.21 1p80 h HIS 219 Ca 0.13 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1p80 h HIS 219 Cb 0.24 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1p80 h HIS 219 CO 0.01 0.65 0.20 0.00 0.86 0.00 0.00 177.93 179.64 1p80 h ALA 220 N 1.48 1.07 0.00 2.45 0.00 -0.54 -3.23 119.26 120.49 1p80 h ALA 220 Ca 0.33 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1p80 h ALA 220 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1p80 h ALA 220 CO -0.08 0.63 -1.09 -0.24 0.00 0.00 0.00 179.25 178.46 1p80 h VAL 221 N 1.01 1.56 -3.95 0.00 3.04 -0.82 -2.48 116.25 114.60 1p80 h VAL 221 Ca 0.22 -3.28 -0.46 0.00 -1.01 0.00 0.00 66.70 62.18 1p80 h VAL 221 Cb 0.30 2.77 0.15 0.00 -2.01 0.00 0.00 31.29 32.50 1p80 h VAL 221 CO -0.01 0.89 0.22 -0.54 -1.01 0.00 0.00 177.57 177.12 1p80 s LYS 222 N -2.70 0.65 0.22 4.17 -0.14 -0.25 -4.76 119.74 116.92 1p80 s LYS 222 Ca 0.00 0.53 -0.31 0.00 -1.36 0.00 0.00 55.97 54.83 1p80 s LYS 222 Cb 0.10 -1.76 -0.14 0.00 -1.68 0.00 0.00 37.83 34.34 1p80 s LYS 222 CO 0.82 -2.59 1.26 -2.30 -0.76 0.00 0.00 175.35 171.78 1p80 n PRO 223 N -4.08 1.60 -2.04 -1.68 -0.02 -1.25 -4.80 135.00 122.74 1p80 n PRO 223 Ca 0.06 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 1p80 n PRO 223 Cb 0.57 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1p80 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p80 s GLU 224 N -0.55 3.65 0.41 -0.52 2.02 -0.48 -4.71 118.70 118.53 1p80 s GLU 224 Ca 0.69 2.05 0.15 0.00 0.02 0.00 0.00 54.97 57.88 1p80 s GLU 224 Cb -0.74 -2.49 0.89 0.00 0.10 0.00 0.00 34.13 31.89 1p80 s GLU 224 CO 0.52 -0.72 1.91 -1.00 0.02 0.00 0.00 175.26 175.98 1p80 h PRO 225 N 2.10 0.00 -0.13 0.39 0.13 -1.90 0.18 132.00 132.78 1p80 h PRO 225 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1p80 h PRO 225 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p80 h PRO 225 CO 0.60 0.28 -0.10 1.12 -0.23 0.00 0.00 178.00 179.67 1p80 h HIS 226 N 0.00 0.35 -0.00 1.56 2.07 -1.97 -3.39 115.15 113.78 1p80 h HIS 226 Ca -0.00 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 1p80 h HIS 226 Cb 0.52 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1p80 h HIS 226 CO 0.00 0.68 -0.01 -2.67 -3.07 0.00 0.00 177.93 172.86 1p80 n TRP 227 N -4.62 0.00 -3.51 6.12 4.27 -1.21 -5.04 117.44 113.45 1p80 n TRP 227 Ca -0.06 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.35 1p80 n TRP 227 Cb 0.33 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.34 1p80 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p80 n ALA 228 N -0.17 -2.17 -2.83 -1.67 0.00 0.64 -4.99 120.51 109.31 1p80 n ALA 228 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1p80 n ALA 228 Cb 0.02 -3.13 -0.14 0.00 0.00 0.00 0.00 19.45 16.21 1p80 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p80 s ILE 229 N -3.49 0.25 0.22 0.00 1.01 -1.25 -4.64 121.20 113.31 1p80 s ILE 229 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1p80 s ILE 229 Cb -0.03 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1p80 s ILE 229 CO 0.77 -0.04 0.38 -2.16 0.00 0.00 0.00 174.94 173.89 1p80 s PRO 230 N -0.38 3.47 -0.00 2.79 0.04 -1.26 -1.38 135.00 138.28 1p80 s PRO 230 Ca -0.02 -0.53 -0.24 0.00 0.04 0.00 0.00 61.00 60.26 1p80 s PRO 230 Cb -0.03 -2.85 -0.13 0.00 0.04 0.00 0.00 34.50 31.52 1p80 s PRO 230 CO -0.00 0.40 1.00 0.37 0.04 0.00 0.00 177.00 178.81 1p80 h GLN 231 N 1.58 -0.74 0.00 4.56 5.75 -1.98 -3.31 115.11 120.97 1p80 h GLN 231 Ca -0.50 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1p80 h GLN 231 Cb 1.21 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.93 1p80 h GLN 231 CO 0.65 -0.46 -0.04 0.41 -2.65 0.00 0.00 178.83 176.73 1p80 n GLY 232 N -0.32 2.17 3.43 2.39 0.00 -1.26 -3.79 105.19 107.82 1p80 n GLY 232 Ca -0.10 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1p80 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p80 s GLN 233 N -1.19 1.60 0.00 1.61 -1.52 -1.26 -4.63 119.66 114.27 1p80 s GLN 233 Ca 0.08 -1.26 0.15 0.00 -1.95 0.00 0.00 55.36 52.38 1p80 s GLN 233 Cb 0.07 -2.00 0.43 0.00 -0.22 0.00 0.00 33.01 31.29 1p80 s GLN 233 CO 0.01 0.47 1.35 -1.13 -0.25 0.00 0.00 175.29 175.74 1p80 n SER 234 N 0.91 2.27 -3.64 5.90 3.41 -1.26 -4.73 113.62 116.48 1p80 n SER 234 Ca -0.17 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 1p80 n SER 234 Cb 0.53 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1p80 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p80 n ALA 235 N 0.73 5.82 -2.89 7.33 0.00 -1.26 -4.67 120.51 125.57 1p80 n ALA 235 Ca 0.15 -3.76 -0.10 0.00 0.00 0.00 0.00 53.44 49.72 1p80 n ALA 235 Cb 0.37 -3.51 -0.05 0.00 0.00 0.00 0.00 19.45 16.26 1p80 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1p80 s HIS 236 N 3.09 -0.12 0.19 0.00 -3.43 -1.26 -4.69 115.29 109.08 1p80 s HIS 236 Ca 0.52 -0.22 -0.14 0.00 -0.80 0.00 0.00 55.06 54.42 1p80 s HIS 236 Cb 0.15 0.18 0.19 0.00 -1.43 0.00 0.00 32.58 31.67 1p80 s HIS 236 CO -0.07 -0.66 1.67 -0.44 -2.00 0.00 0.00 174.74 173.24 1p80 h ASP 237 N 2.48 -0.30 -0.21 7.38 5.19 -1.89 -2.94 116.42 126.13 1p80 h ASP 237 Ca -0.34 0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1p80 h ASP 237 Cb 1.24 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.99 1p80 h ASP 237 CO 0.49 -0.11 -0.04 0.71 -3.12 0.00 0.00 179.24 177.17 1p80 h THR 238 N 0.08 1.21 0.06 0.35 1.35 -1.95 0.11 112.91 114.12 1p80 h THR 238 Ca 0.26 -0.88 -0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1p80 h THR 238 Cb 0.40 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1p80 h THR 238 CO -0.47 0.30 -0.03 0.15 -0.25 0.00 0.00 175.52 175.22 1p80 h PHE 239 N 0.50 -0.08 0.00 4.73 3.57 -1.26 -2.34 116.94 122.06 1p80 h PHE 239 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1p80 h PHE 239 Cb 0.39 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1p80 h PHE 239 CO 0.01 0.20 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.51 1p80 h TRP 240 N -0.35 0.00 0.33 0.41 4.06 -1.45 -0.66 115.95 118.29 1p80 h TRP 240 Ca -0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1p80 h TRP 240 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1p80 h TRP 240 CO 0.02 0.29 -0.16 0.22 -3.56 0.00 0.00 178.44 175.25 1p80 h ASP 241 N 0.00 -0.38 -0.28 -3.49 3.58 -0.74 -0.40 116.42 114.72 1p80 h ASP 241 Ca -0.00 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.44 1p80 h ASP 241 Cb 0.66 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1p80 h ASP 241 CO 0.04 -0.23 0.13 0.22 -2.88 0.00 0.00 179.24 176.53 1p80 h TYR 242 N -0.50 0.25 -0.25 0.28 5.03 -0.99 -2.27 116.97 118.53 1p80 h TYR 242 Ca -0.05 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1p80 h TYR 242 Cb 0.37 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 1p80 h TYR 242 CO -0.04 0.13 0.03 0.28 -1.32 0.00 0.00 178.16 177.25 1p80 h VAL 243 N 0.28 0.87 0.00 1.81 2.07 -1.09 -1.14 116.25 119.05 1p80 h VAL 243 Ca 0.12 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1p80 h VAL 243 Cb 0.04 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1p80 h VAL 243 CO -0.08 0.02 -0.01 0.77 0.02 0.00 0.00 177.57 178.29 1p80 h SER 244 N 0.12 0.00 -0.02 0.57 4.64 -0.66 -2.36 113.55 115.85 1p80 h SER 244 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1p80 h SER 244 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1p80 h SER 244 CO -0.16 0.01 -0.47 0.18 -0.87 0.00 0.00 176.83 175.51 1p80 n LEU 245 N -3.78 2.00 -3.51 5.97 4.77 -0.76 -4.73 117.00 116.97 1p80 n LEU 245 Ca -0.03 -0.76 -0.28 0.00 -0.03 0.00 0.00 56.01 54.91 1p80 n LEU 245 Cb 0.09 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1p80 n LEU 245 CO 0.27 0.37 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.33 1p80 s GLN 246 N -2.44 1.12 0.63 3.23 -1.52 -0.50 -5.01 119.66 115.17 1p80 s GLN 246 Ca 0.18 -2.16 0.33 0.00 -1.95 0.00 0.00 55.36 51.76 1p80 s GLN 246 Cb 0.18 -1.79 1.85 0.00 -0.22 0.00 0.00 33.01 33.03 1p80 s GLN 246 CO 0.56 -1.32 2.11 -1.00 -0.25 0.00 0.00 175.29 175.39 1p80 h PRO 247 N 5.93 0.00 -0.08 2.91 0.13 -1.85 -1.36 132.00 137.68 1p80 h PRO 247 Ca 0.19 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1p80 h PRO 247 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1p80 h PRO 247 CO 0.42 0.00 0.09 1.05 -0.23 0.00 0.00 178.00 179.33 1p80 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.89 -1.55 114.58 116.11 1p80 h GLU 248 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1p80 h GLU 248 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1p80 h GLU 248 CO -0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1p80 h THR 249 N 0.00 0.00 -0.63 -1.06 1.35 -1.02 -3.36 112.91 108.18 1p80 h THR 249 Ca 0.04 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1p80 h THR 249 Cb 0.22 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 1p80 h THR 249 CO -0.00 0.00 0.40 -0.07 -0.25 0.00 0.00 175.52 175.60 1p80 h LEU 250 N 0.00 0.74 0.39 3.87 3.38 -1.48 -1.63 115.31 120.58 1p80 h LEU 250 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1p80 h LEU 250 Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1p80 h LEU 250 CO 0.00 0.56 -0.19 -0.74 0.09 0.00 0.00 178.44 178.16 1p80 h HIS 251 N 0.87 -0.49 0.00 1.13 2.76 -1.80 0.16 115.15 117.77 1p80 h HIS 251 Ca 0.23 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1p80 h HIS 251 Cb -0.06 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1p80 h HIS 251 CO 0.00 -0.27 -0.36 -0.97 -1.30 0.00 0.00 177.93 175.02 1p80 h ASN 252 N -0.58 0.00 -0.61 3.26 -0.00 -1.74 -1.79 115.58 114.12 1p80 h ASN 252 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.22 1p80 h ASN 252 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.73 1p80 h ASN 252 CO 0.09 0.36 0.28 0.58 -0.00 0.00 0.00 177.43 178.75 1p80 h VAL 253 N 0.00 1.22 -0.67 2.57 2.07 -1.06 -1.25 116.25 119.13 1p80 h VAL 253 Ca -0.00 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1p80 h VAL 253 Cb 0.65 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1p80 h VAL 253 CO 0.05 0.25 0.33 0.24 0.02 0.00 0.00 177.57 178.46 1p80 h MET 254 N 0.84 0.56 -0.53 1.57 2.86 -0.08 -0.81 114.93 119.35 1p80 h MET 254 Ca 0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1p80 h MET 254 Cb 0.14 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1p80 h MET 254 CO -0.02 0.37 0.23 -1.49 1.06 0.00 0.00 176.91 177.06 1p80 h TRP 255 N 0.58 0.78 -0.45 -0.22 4.06 -1.17 -2.16 115.95 117.37 1p80 h TRP 255 Ca 0.32 -0.05 -0.06 0.00 2.06 0.00 0.00 58.89 61.17 1p80 h TRP 255 Cb 0.32 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1p80 h TRP 255 CO -0.11 0.62 0.04 0.00 -3.56 0.00 0.00 178.44 175.43 1p80 h ALA 256 N 1.08 1.23 0.00 1.49 0.00 -0.60 -2.71 119.26 119.75 1p80 h ALA 256 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1p80 h ALA 256 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p80 h ALA 256 CO -0.02 0.52 -0.06 0.52 0.00 0.00 0.00 179.25 180.20 1p80 h MET 257 N 0.67 0.00 -7.64 0.00 2.86 -1.05 -3.33 114.93 106.44 1p80 h MET 257 Ca 0.14 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.34 1p80 h MET 257 Cb 0.36 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.19 1p80 h MET 257 CO 0.01 0.06 0.31 -1.54 1.06 0.00 0.00 176.91 176.81 1p80 s SER 258 N -6.08 2.40 0.00 1.22 1.04 -0.82 -4.15 113.70 107.30 1p80 s SER 258 Ca 0.05 0.47 0.15 0.00 0.48 0.00 0.00 55.95 57.09 1p80 s SER 258 Cb 0.07 -0.64 0.76 0.00 0.10 0.00 0.00 66.02 66.31 1p80 s SER 258 CO 0.64 -3.19 1.38 0.47 0.98 0.00 0.00 173.24 173.51 1p80 n ASP 259 N -4.11 0.00 0.26 7.02 10.43 -1.26 -1.90 116.55 126.98 1p80 n ASP 259 Ca 0.14 -0.03 0.09 0.00 2.57 0.00 0.00 54.79 57.55 1p80 n ASP 259 Cb 0.59 -0.23 0.66 0.00 1.84 0.00 0.00 41.12 43.99 1p80 n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1p80 h ARG 260 N 0.00 0.00 0.00 -1.24 2.47 -1.88 -1.81 114.38 111.92 1p80 h ARG 260 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1p80 h ARG 260 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1p80 h ARG 260 CO 0.00 0.07 0.00 0.41 0.56 0.00 0.00 179.97 181.01 1p80 n GLY 261 N -1.25 -1.23 2.29 0.04 0.00 -0.80 -4.07 105.19 100.18 1p80 n GLY 261 Ca -0.03 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1p80 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p80 n ILE 262 N -1.30 0.34 -1.78 -0.61 -5.35 -0.68 -2.02 119.36 107.96 1p80 n ILE 262 Ca 0.13 -4.49 -0.37 0.00 -0.27 0.00 0.00 62.75 57.75 1p80 n ILE 262 Cb 0.23 -1.69 0.05 0.00 -1.74 0.00 0.00 39.64 36.50 1p80 n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p80 s PRO 263 N -1.83 2.82 0.23 6.28 0.04 -1.26 -0.08 135.00 141.21 1p80 s PRO 263 Ca 0.38 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.55 1p80 s PRO 263 Cb 0.20 -2.02 0.25 0.00 0.04 0.00 0.00 34.50 32.97 1p80 s PRO 263 CO -0.08 -1.41 1.58 -0.09 0.04 0.00 0.00 177.00 177.04 1p80 h ARG 264 N 0.94 0.40 -2.55 4.56 9.65 -1.58 -3.39 114.38 122.40 1p80 h ARG 264 Ca -0.51 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.14 1p80 h ARG 264 Cb 1.32 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.77 1p80 h ARG 264 CO 0.55 0.81 0.27 0.45 2.80 0.00 0.00 179.97 184.85 1p80 s SER 265 N -6.89 -0.55 0.57 -3.80 0.15 -1.26 -4.94 113.70 96.98 1p80 s SER 265 Ca -0.06 0.20 0.34 0.00 0.70 0.00 0.00 55.95 57.13 1p80 s SER 265 Cb 0.12 0.53 1.73 0.00 -1.71 0.00 0.00 66.02 66.70 1p80 s SER 265 CO 0.81 -0.79 2.15 1.88 1.20 0.00 0.00 173.24 178.49 1p80 h TYR 266 N 2.28 0.00 0.00 3.44 0.05 -1.90 -1.57 116.97 119.27 1p80 h TYR 266 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 1p80 h TYR 266 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1p80 h TYR 266 CO 0.27 0.05 0.00 0.00 -1.05 0.00 0.00 178.16 177.44 1p80 h ARG 267 N 0.00 0.00 -1.02 4.88 3.08 -1.96 -3.32 114.38 116.04 1p80 h ARG 267 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1p80 h ARG 267 Cb 0.26 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.91 1p80 h ARG 267 CO 0.01 0.00 -0.46 0.25 -1.07 0.00 0.00 179.97 178.70 1p80 n THR 268 N -2.97 2.71 -4.16 2.04 -2.24 -0.59 -4.38 114.28 104.68 1p80 n THR 268 Ca 0.02 -4.20 -0.11 0.00 -2.27 0.00 0.00 64.05 57.50 1p80 n THR 268 Cb 0.38 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.34 1p80 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p80 s MET 269 N -3.64 0.81 0.54 -0.78 0.23 -1.25 -1.87 119.30 113.33 1p80 s MET 269 Ca 0.52 -1.30 -0.04 0.00 -1.03 0.00 0.00 55.69 53.84 1p80 s MET 269 Cb 0.42 -0.19 -0.00 0.00 -1.53 0.00 0.00 34.83 33.53 1p80 s MET 269 CO -0.04 -0.02 0.82 -1.21 -2.03 0.00 0.00 175.02 172.54 1p80 s GLU 270 N -3.73 3.04 0.03 3.16 2.02 -1.26 -4.25 118.70 117.70 1p80 s GLU 270 Ca 0.11 -0.12 0.04 0.00 0.02 0.00 0.00 54.97 55.02 1p80 s GLU 270 Cb 0.05 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 1p80 s GLU 270 CO -0.05 -0.51 -0.13 0.20 0.02 0.00 0.00 175.26 174.79 1p80 s GLY 271 N -4.25 0.70 -0.01 -1.39 0.00 -0.69 -4.20 107.32 97.48 1p80 s GLY 271 Ca 0.51 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 44.49 1p80 s GLY 271 CO 0.43 -0.69 0.04 -1.36 0.00 0.00 0.00 173.10 171.52 1p80 s PHE 272 N -0.73 0.04 -0.76 1.90 0.08 0.56 -0.39 117.98 118.68 1p80 s PHE 272 Ca 0.01 -0.07 0.26 0.00 0.12 0.00 0.00 56.93 57.25 1p80 s PHE 272 Cb -0.07 -0.04 0.78 0.00 -0.57 0.00 0.00 43.02 43.11 1p80 s PHE 272 CO 0.01 -0.10 1.71 0.41 -0.10 0.00 0.00 175.22 177.14 1p80 n GLY 273 N 2.48 -1.62 5.00 4.36 0.00 -0.57 -1.67 105.19 113.18 1p80 n GLY 273 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1p80 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p80 n ILE 274 N -2.11 0.00 -1.91 -0.61 5.41 -1.26 -4.82 119.36 114.05 1p80 n ILE 274 Ca 0.05 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.47 1p80 n ILE 274 Cb 0.42 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.38 1p80 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p80 s HIS 275 N 0.00 2.77 -0.11 1.39 3.76 -1.26 -4.90 115.29 116.94 1p80 s HIS 275 Ca 0.00 1.53 -0.29 0.00 -0.15 0.00 0.00 55.06 56.16 1p80 s HIS 275 Cb 0.00 -3.11 -0.01 0.00 1.11 0.00 0.00 32.58 30.57 1p80 s HIS 275 CO 0.00 -1.44 0.97 0.99 -0.85 0.00 0.00 174.74 174.40 1p80 s THR 276 N -2.35 4.81 0.18 1.30 2.01 -1.26 -4.56 115.64 115.77 1p80 s THR 276 Ca 0.66 1.96 0.01 0.00 0.31 0.00 0.00 61.69 64.63 1p80 s THR 276 Cb -0.19 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.05 1p80 s THR 276 CO 0.39 0.02 0.09 0.49 -0.69 0.00 0.00 174.62 174.92 1p80 n PHE 277 N 4.97 -0.67 -4.73 4.92 3.72 0.28 -4.23 117.46 121.72 1p80 n PHE 277 Ca 0.08 -0.79 -0.24 0.00 -0.05 0.00 0.00 57.45 56.45 1p80 n PHE 277 Cb 0.49 -0.14 -0.15 0.00 -0.94 0.00 0.00 39.48 38.74 1p80 n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p80 s ARG 278 N -2.70 1.29 -0.15 -1.08 0.52 -0.09 -0.77 118.95 115.97 1p80 s ARG 278 Ca 0.07 -0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.58 1p80 s ARG 278 Cb -0.01 -1.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 1p80 s ARG 278 CO 0.04 0.34 0.13 -0.51 0.02 0.00 0.00 175.30 175.33 1p80 s LEU 279 N -0.48 4.32 -0.14 2.53 1.43 0.33 -0.73 118.68 125.93 1p80 s LEU 279 Ca 0.06 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1p80 s LEU 279 Cb -0.06 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1p80 s LEU 279 CO -0.00 0.33 -0.21 -0.63 0.23 0.00 0.00 176.35 176.06 1p80 s ILE 280 N -0.54 2.13 0.55 -0.59 -1.09 -0.02 -1.37 121.20 120.28 1p80 s ILE 280 Ca 0.12 -0.96 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1p80 s ILE 280 Cb -0.12 -1.85 0.10 0.00 -1.58 0.00 0.00 42.46 39.01 1p80 s ILE 280 CO 0.02 0.55 0.75 -0.46 -1.23 0.00 0.00 174.94 174.57 1p80 n ASN 281 N 4.01 1.45 0.22 3.58 0.23 -0.85 -1.11 115.26 122.80 1p80 n ASN 281 Ca -0.20 -2.12 0.05 0.00 -0.53 0.00 0.00 54.58 51.78 1p80 n ASN 281 Cb 0.52 -0.45 0.49 0.00 -2.08 0.00 0.00 39.78 38.25 1p80 n ASN 281 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p80 h ALA 282 N -0.20 1.60 0.00 -2.53 0.00 -1.88 -0.92 119.26 115.33 1p80 h ALA 282 Ca -0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p80 h ALA 282 Cb 1.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1p80 h ALA 282 CO 0.31 0.28 0.00 1.05 0.00 0.00 0.00 179.25 180.89 1p80 h GLU 283 N 0.00 0.00 0.00 0.00 4.11 -1.94 -3.45 114.58 113.30 1p80 h GLU 283 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p80 h GLU 283 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1p80 h GLU 283 CO 0.03 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.52 1p80 n GLY 284 N 0.74 0.76 3.74 1.06 0.00 -0.35 -5.07 105.19 106.07 1p80 n GLY 284 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1p80 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p80 s LYS 285 N -0.98 4.68 -0.14 1.61 2.20 -1.26 -4.78 119.74 121.08 1p80 s LYS 285 Ca 0.00 1.58 -0.07 0.00 -0.36 0.00 0.00 55.97 57.12 1p80 s LYS 285 Cb 0.00 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1p80 s LYS 285 CO 0.00 0.21 0.10 0.00 -0.36 0.00 0.00 175.35 175.30 1p80 s ALA 286 N -0.36 3.64 -0.08 3.13 0.00 -1.26 -2.00 121.76 124.82 1p80 s ALA 286 Ca 0.47 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1p80 s ALA 286 Cb -0.27 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 1p80 s ALA 286 CO 0.33 0.42 -0.21 0.99 0.00 0.00 0.00 175.76 177.29 1p80 s THR 287 N -0.41 1.81 0.32 0.00 2.01 -0.47 -4.15 115.64 114.74 1p80 s THR 287 Ca 0.11 -0.89 -0.28 0.00 0.31 0.00 0.00 61.69 60.93 1p80 s THR 287 Cb -0.12 -1.57 -0.10 0.00 0.01 0.00 0.00 72.50 70.73 1p80 s THR 287 CO 0.02 0.51 1.17 -0.36 -0.69 0.00 0.00 174.62 175.26 1p80 s PHE 288 N 0.27 3.34 0.01 4.92 0.08 -0.13 -0.52 117.98 125.94 1p80 s PHE 288 Ca -0.13 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1p80 s PHE 288 Cb -0.16 -3.42 -0.01 0.00 -0.57 0.00 0.00 43.02 38.86 1p80 s PHE 288 CO 0.06 -1.06 -0.02 0.54 -0.10 0.00 0.00 175.22 174.64 1p80 s VAL 289 N -1.20 0.09 -0.08 -0.44 0.11 0.05 -1.41 120.40 117.52 1p80 s VAL 289 Ca 0.48 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1p80 s VAL 289 Cb -0.34 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1p80 s VAL 289 CO 0.44 -0.24 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.60 1p80 s ARG 290 N -0.74 2.75 0.03 1.54 0.52 -0.59 -0.55 118.95 121.90 1p80 s ARG 290 Ca -0.08 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.17 1p80 s ARG 290 Cb -0.05 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 1p80 s ARG 290 CO -0.00 0.27 0.33 -0.06 0.02 0.00 0.00 175.30 175.85 1p80 s PHE 291 N 0.12 3.60 0.03 -0.53 0.08 -1.26 -1.15 117.98 118.87 1p80 s PHE 291 Ca -0.12 0.71 0.02 0.00 0.12 0.00 0.00 56.93 57.66 1p80 s PHE 291 Cb -0.16 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1p80 s PHE 291 CO 0.06 0.59 -0.07 -1.01 -0.10 0.00 0.00 175.22 174.70 1p80 s HIS 292 N -1.29 0.57 -0.13 0.36 3.76 -0.25 -1.51 115.29 116.80 1p80 s HIS 292 Ca 0.28 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.72 1p80 s HIS 292 Cb -0.14 -0.35 0.02 0.00 1.11 0.00 0.00 32.58 33.22 1p80 s HIS 292 CO 0.16 -0.10 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.23 1p80 s TRP 293 N -1.32 2.02 -0.22 1.40 0.52 0.48 -0.29 118.94 121.53 1p80 s TRP 293 Ca -0.11 -1.07 -0.06 0.00 0.02 0.00 0.00 56.10 54.88 1p80 s TRP 293 Cb -0.09 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1p80 s TRP 293 CO 0.00 -0.59 0.03 0.21 0.02 0.00 0.00 176.95 176.61 1p80 s LYS 294 N 1.36 3.61 0.01 4.98 2.20 0.24 -1.70 119.74 130.45 1p80 s LYS 294 Ca 0.01 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 1p80 s LYS 294 Cb -0.13 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 1p80 s LYS 294 CO -0.08 -0.10 1.49 -1.25 -0.36 0.00 0.00 175.35 175.06 1p80 s PRO 295 N 1.31 4.25 0.00 4.03 0.04 -1.26 -0.45 135.00 142.92 1p80 s PRO 295 Ca 0.04 2.08 0.27 0.00 0.04 0.00 0.00 61.00 63.44 1p80 s PRO 295 Cb -0.15 -3.62 1.15 0.00 0.04 0.00 0.00 34.50 31.92 1p80 s PRO 295 CO 0.02 -0.65 1.86 1.28 0.04 0.00 0.00 177.00 179.55 1p80 n LEU 296 N 5.64 0.00 -0.30 -3.56 4.77 -0.38 -1.94 117.00 121.22 1p80 n LEU 296 Ca 0.14 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 1p80 n LEU 296 Cb 0.43 -0.50 0.62 0.00 -2.33 0.00 0.00 43.42 41.64 1p80 n LEU 296 CO 0.60 -0.04 0.90 0.00 -1.33 0.00 0.00 177.39 177.53 1p80 n ALA 297 N -1.50 2.67 0.00 -1.18 0.00 -1.26 -4.97 120.51 114.27 1p80 n ALA 297 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1p80 n ALA 297 Cb 0.31 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1p80 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p80 n GLY 298 N 1.16 -0.57 3.82 0.00 0.00 -0.82 -3.75 105.19 105.04 1p80 n GLY 298 Ca 0.19 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1p80 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p80 s LYS 299 N -1.90 3.93 -0.27 1.61 1.02 -1.26 -4.27 119.74 118.59 1p80 s LYS 299 Ca 0.00 0.32 -0.23 0.00 0.02 0.00 0.00 55.97 56.08 1p80 s LYS 299 Cb 0.00 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.14 1p80 s LYS 299 CO 0.00 0.62 0.76 0.00 -0.92 0.00 0.00 175.35 175.81 1p80 s ALA 300 N -0.79 -1.83 0.19 5.17 0.00 -0.78 -4.83 121.76 118.88 1p80 s ALA 300 Ca 0.22 2.08 0.03 0.00 0.00 0.00 0.00 51.96 54.29 1p80 s ALA 300 Cb -0.16 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1p80 s ALA 300 CO 0.11 -0.33 -0.02 -1.12 0.00 0.00 0.00 175.76 174.39 1p80 s SER 301 N 0.58 1.61 0.94 0.00 0.01 -1.26 -1.68 113.70 113.90 1p80 s SER 301 Ca -0.01 -1.15 -0.10 0.00 1.31 0.00 0.00 55.95 55.99 1p80 s SER 301 Cb -0.05 0.04 0.15 0.00 0.21 0.00 0.00 66.02 66.37 1p80 s SER 301 CO -0.04 -0.49 0.87 0.18 0.41 0.00 0.00 173.24 174.18 1p80 n LEU 302 N -0.31 0.00 -4.61 2.44 4.77 0.89 -4.62 117.00 115.57 1p80 n LEU 302 Ca -0.07 -1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 54.57 1p80 n LEU 302 Cb 0.63 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1p80 n LEU 302 CO 0.35 -1.10 -0.39 0.68 -1.33 0.00 0.00 177.39 175.60 1p80 s VAL 303 N -2.84 3.50 0.17 4.08 -7.23 -1.26 -4.92 120.40 111.90 1p80 s VAL 303 Ca 0.50 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 1p80 s VAL 303 Cb -0.02 -2.68 0.09 0.00 0.56 0.00 0.00 36.38 34.33 1p80 s VAL 303 CO 0.35 0.03 1.63 -0.25 -0.31 0.00 0.00 175.10 176.55 1p80 h TRP 304 N 3.29 -0.54 -0.67 2.82 2.91 -1.98 -1.22 115.95 120.57 1p80 h TRP 304 Ca -0.48 0.05 0.05 0.00 1.13 0.00 0.00 58.89 59.64 1p80 h TRP 304 Cb 1.18 0.30 -0.05 0.00 -0.51 0.00 0.00 29.16 30.07 1p80 h TRP 304 CO 0.61 -0.29 0.38 0.22 -1.03 0.00 0.00 178.44 178.34 1p80 h ASP 305 N -0.14 0.58 -0.02 2.65 -0.00 -1.99 0.02 116.42 117.52 1p80 h ASP 305 Ca 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.25 1p80 h ASP 305 Cb 0.44 -0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 39.68 1p80 h ASP 305 CO -0.48 0.38 0.01 -0.08 -0.00 0.00 0.00 179.24 179.07 1p80 h GLU 306 N 0.71 0.02 -0.46 0.28 4.81 -1.88 -1.39 114.58 116.67 1p80 h GLU 306 Ca 0.30 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1p80 h GLU 306 Cb 0.16 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1p80 h GLU 306 CO -0.17 0.13 0.28 0.00 -0.73 0.00 0.00 179.01 178.52 1p80 h ALA 307 N 0.89 0.59 -0.43 2.92 0.00 -0.82 0.18 119.26 122.60 1p80 h ALA 307 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1p80 h ALA 307 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p80 h ALA 307 CO -0.00 -0.02 -0.03 0.37 0.00 0.00 0.00 179.25 179.57 1p80 h GLN 308 N 0.57 0.77 -0.13 0.00 4.15 -0.97 -2.07 115.11 117.43 1p80 h GLN 308 Ca 0.18 -0.26 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1p80 h GLN 308 Cb -0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1p80 h GLN 308 CO -0.07 0.86 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.22 1p80 h LYS 309 N 0.60 0.24 0.00 1.69 3.64 -0.99 -2.08 116.57 119.66 1p80 h LYS 309 Ca 0.12 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1p80 h LYS 309 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1p80 h LYS 309 CO 0.03 0.48 -0.28 1.25 -2.27 0.00 0.00 179.45 178.66 1p80 h LEU 310 N 0.21 0.00 -2.17 5.20 5.85 -0.31 -1.39 115.31 122.70 1p80 h LEU 310 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1p80 h LEU 310 Cb 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1p80 h LEU 310 CO 0.04 0.28 -0.06 0.71 -0.34 0.00 0.00 178.44 179.06 1p80 h THR 311 N 0.00 0.56 0.08 1.05 1.35 -0.67 0.29 112.91 115.57 1p80 h THR 311 Ca -0.00 -0.28 -0.34 0.00 -0.55 0.00 0.00 66.41 65.24 1p80 h THR 311 Cb 0.61 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 1p80 h THR 311 CO 0.04 0.06 -1.89 0.61 -0.25 0.00 0.00 175.52 174.09 1p80 n GLY 312 N -1.00 -0.60 0.19 5.82 0.00 -0.62 -3.50 105.19 105.47 1p80 n GLY 312 Ca -0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1p80 n GLY 312 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p80 h ARG 313 N -0.26 0.42 -1.32 1.61 2.47 -1.16 -3.41 114.38 112.74 1p80 h ARG 313 Ca -0.43 -0.28 -0.19 0.00 -1.26 0.00 0.00 59.98 57.81 1p80 h ARG 313 Cb 1.82 0.04 -0.22 0.00 -1.65 0.00 0.00 29.97 29.95 1p80 h ARG 313 CO -0.03 0.88 -0.55 0.34 0.56 0.00 0.00 179.97 181.17 1p80 s ASP 314 N -6.92 -0.68 0.32 7.04 2.15 0.08 -5.00 116.67 113.65 1p80 s ASP 314 Ca -0.06 -1.39 0.23 0.00 0.43 0.00 0.00 52.55 51.77 1p80 s ASP 314 Cb 0.11 1.46 1.15 0.00 -0.30 0.00 0.00 42.92 45.34 1p80 s ASP 314 CO 0.82 -0.16 1.71 1.55 -0.17 0.00 0.00 175.17 178.92 1p80 h PRO 315 N 6.38 0.00 -0.48 4.34 0.13 -1.59 -1.47 132.00 139.31 1p80 h PRO 315 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1p80 h PRO 315 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1p80 h PRO 315 CO 0.12 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.64 1p80 n ASP 316 N -2.29 5.14 -0.17 1.44 8.00 -1.26 -0.46 116.55 126.96 1p80 n ASP 316 Ca -0.00 -2.95 -0.02 0.00 0.71 0.00 0.00 54.79 52.53 1p80 n ASP 316 Cb 0.11 -0.64 0.07 0.00 -0.02 0.00 0.00 41.12 40.64 1p80 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1p80 h PHE 317 N 3.31 0.24 -0.29 1.24 3.04 -1.61 0.21 116.94 123.09 1p80 h PHE 317 Ca 0.00 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.80 1p80 h PHE 317 Cb 1.80 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.28 1p80 h PHE 317 CO 0.90 0.04 -0.50 0.45 -2.02 0.00 0.00 178.31 177.18 1p80 h HIS 318 N 0.29 1.06 -0.60 0.41 3.86 -1.86 -1.18 115.15 117.13 1p80 h HIS 318 Ca 0.26 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1p80 h HIS 318 Cb 0.32 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1p80 h HIS 318 CO -0.20 1.19 0.39 -0.09 0.86 0.00 0.00 177.93 180.09 1p80 h ARG 319 N 0.62 0.79 -0.28 2.45 2.43 -1.83 -1.54 114.38 117.02 1p80 h ARG 319 Ca 0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1p80 h ARG 319 Cb 1.11 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1p80 h ARG 319 CO 0.11 0.53 0.08 -0.09 -1.51 0.00 0.00 179.97 179.09 1p80 h ARG 320 N 0.81 0.44 -0.71 0.20 2.43 -0.94 -2.19 114.38 114.43 1p80 h ARG 320 Ca 0.22 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1p80 h ARG 320 Cb -0.08 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1p80 h ARG 320 CO -0.05 0.51 0.40 1.49 -1.51 0.00 0.00 179.97 180.81 1p80 h GLU 321 N 0.28 0.98 -0.13 0.20 4.57 -1.04 0.79 114.58 120.23 1p80 h GLU 321 Ca 0.09 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1p80 h GLU 321 Cb 0.26 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1p80 h GLU 321 CO -0.00 0.72 0.03 1.25 -1.18 0.00 0.00 179.01 179.83 1p80 h LEU 322 N 0.97 0.21 -0.31 1.64 5.85 -1.25 -0.48 115.31 121.93 1p80 h LEU 322 Ca 0.25 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1p80 h LEU 322 Cb 0.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1p80 h LEU 322 CO -0.04 0.39 0.20 -0.25 -0.34 0.00 0.00 178.44 178.40 1p80 h TRP 323 N 0.01 0.38 0.00 1.25 2.91 -1.13 -2.35 115.95 117.02 1p80 h TRP 323 Ca 0.04 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.96 1p80 h TRP 323 Cb 0.26 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 1p80 h TRP 323 CO 0.01 0.24 -0.53 0.93 -1.03 0.00 0.00 178.44 178.06 1p80 h GLU 324 N 0.42 0.00 -0.52 2.65 5.08 -0.81 -1.92 114.58 119.48 1p80 h GLU 324 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1p80 h GLU 324 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1p80 h GLU 324 CO -0.03 0.53 -0.05 0.00 -1.00 0.00 0.00 179.01 178.45 1p80 h ALA 325 N 1.47 0.71 -0.51 3.43 0.00 -0.84 -1.13 119.26 122.38 1p80 h ALA 325 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1p80 h ALA 325 Cb 1.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1p80 h ALA 325 CO 0.07 0.57 -0.13 0.82 0.00 0.00 0.00 179.25 180.58 1p80 h ILE 326 N 0.82 1.27 0.00 0.00 2.04 -1.28 0.26 117.51 120.62 1p80 h ILE 326 Ca 0.14 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 1p80 h ILE 326 Cb 0.60 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1p80 h ILE 326 CO 0.04 0.45 -0.21 -0.33 0.00 0.00 0.00 178.15 178.09 1p80 h GLU 327 N 0.86 0.00 -0.00 2.37 5.08 -1.14 -2.55 114.58 119.20 1p80 h GLU 327 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1p80 h GLU 327 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1p80 h GLU 327 CO 0.05 0.21 -0.34 0.00 -1.00 0.00 0.00 179.01 177.93 1p80 n ALA 328 N -2.39 3.18 -0.51 3.43 0.00 -0.45 -2.32 120.51 121.46 1p80 n ALA 328 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1p80 n ALA 328 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1p80 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p80 n GLY 329 N 1.48 0.74 2.48 0.00 0.00 -0.85 -4.57 105.19 104.48 1p80 n GLY 329 Ca 0.07 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1p80 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p80 n ASP 330 N 0.05 7.78 -4.67 1.61 10.43 0.87 -4.99 116.55 127.63 1p80 n ASP 330 Ca 0.00 -3.16 -0.46 0.00 2.57 0.00 0.00 54.79 53.74 1p80 n ASP 330 Cb 0.00 -1.34 -0.04 0.00 1.84 0.00 0.00 41.12 41.58 1p80 n ASP 330 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p80 n PHE 331 N 1.55 2.32 -1.68 1.24 0.99 -1.26 -4.37 117.46 116.26 1p80 n PHE 331 Ca 0.60 0.16 -0.46 0.00 -0.00 0.00 0.00 57.45 57.75 1p80 n PHE 331 Cb 0.30 -2.59 -0.04 0.00 -1.00 0.00 0.00 39.48 36.15 1p80 n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1p80 n PRO 332 N 4.43 2.41 -4.91 -1.08 -0.02 -1.24 -4.80 135.00 129.79 1p80 n PRO 332 Ca 0.18 0.88 -0.27 0.00 -2.02 0.00 0.00 63.50 62.28 1p80 n PRO 332 Cb 0.30 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 30.86 1p80 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p80 s GLU 333 N 3.79 1.83 0.01 -0.52 2.02 -1.26 -0.99 118.70 123.58 1p80 s GLU 333 Ca 0.90 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 55.25 1p80 s GLU 333 Cb -0.61 -1.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 1p80 s GLU 333 CO 0.47 0.30 -0.07 0.71 0.02 0.00 0.00 175.26 176.68 1p80 s TYR 334 N -0.09 0.65 -0.19 1.61 2.02 -0.31 -1.25 117.35 119.80 1p80 s TYR 334 Ca -0.01 -0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.33 1p80 s TYR 334 Cb -0.11 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1p80 s TYR 334 CO 0.02 -0.02 0.27 -2.00 -1.57 0.00 0.00 175.55 172.24 1p80 s GLU 335 N -0.58 4.19 0.10 -0.62 2.12 0.41 -0.61 118.70 123.71 1p80 s GLU 335 Ca -0.01 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.03 1p80 s GLU 335 Cb -0.05 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1p80 s GLU 335 CO 0.00 0.15 0.97 -1.17 -0.54 0.00 0.00 175.26 174.66 1p80 s LEU 336 N 0.77 4.49 0.04 2.70 2.96 0.25 -0.59 118.68 129.29 1p80 s LEU 336 Ca 0.14 1.78 0.02 0.00 -0.22 0.00 0.00 54.13 55.86 1p80 s LEU 336 Cb -0.13 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1p80 s LEU 336 CO 0.04 -0.09 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.07 1p80 s GLY 337 N 0.10 0.51 -0.09 7.98 0.00 0.60 -0.61 107.32 115.82 1p80 s GLY 337 Ca 0.47 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.52 1p80 s GLY 337 CO 0.30 -0.76 -0.23 -1.36 0.00 0.00 0.00 173.10 171.05 1p80 s PHE 338 N -1.20 2.42 -0.29 1.90 2.99 -0.08 -1.09 117.98 122.64 1p80 s PHE 338 Ca -0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 56.93 55.79 1p80 s PHE 338 Cb -0.09 -1.62 -0.03 0.00 0.00 0.00 0.00 43.02 41.28 1p80 s PHE 338 CO 0.00 -0.35 0.38 -0.65 -0.00 0.00 0.00 175.22 174.60 1p80 s GLN 339 N 0.23 3.91 -0.16 0.44 -0.21 -0.30 -0.56 119.66 123.02 1p80 s GLN 339 Ca -0.15 -0.05 -0.02 0.00 0.02 0.00 0.00 55.36 55.17 1p80 s GLN 339 Cb -0.17 -3.69 -0.02 0.00 1.00 0.00 0.00 33.01 30.14 1p80 s GLN 339 CO 0.07 -0.35 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.30 1p80 s LEU 340 N 2.09 2.88 -0.11 2.90 1.43 -1.26 -1.54 118.68 125.06 1p80 s LEU 340 Ca 0.15 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1p80 s LEU 340 Cb -0.16 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1p80 s LEU 340 CO 0.10 0.12 -0.12 -0.63 0.23 0.00 0.00 176.35 176.06 1p80 s ILE 341 N 0.61 1.28 0.64 -0.59 1.09 -0.50 -4.99 121.20 118.75 1p80 s ILE 341 Ca -0.05 -0.48 -0.18 0.00 -1.10 0.00 0.00 60.65 58.83 1p80 s ILE 341 Cb -0.15 -1.22 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1p80 s ILE 341 CO 0.03 0.40 1.30 -2.65 -0.10 0.00 0.00 174.94 173.92 1p80 n PRO 342 N 4.53 1.15 -0.30 2.79 -0.02 -1.26 -0.96 135.00 140.93 1p80 n PRO 342 Ca -0.17 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1p80 n PRO 342 Cb 0.51 -2.54 0.30 0.00 -0.02 0.00 0.00 33.50 31.74 1p80 n PRO 342 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1p80 h GLU 343 N 0.58 0.86 0.00 -0.52 4.81 -1.96 -0.51 114.58 117.84 1p80 h GLU 343 Ca -0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1p80 h GLU 343 Cb 1.34 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1p80 h GLU 343 CO 0.53 0.57 0.00 0.39 -0.73 0.00 0.00 179.01 179.77 1p80 n GLU 344 N -4.55 0.06 -0.47 1.92 4.71 -1.26 -2.27 120.64 118.78 1p80 n GLU 344 Ca 0.16 0.20 0.10 0.00 -0.01 0.00 0.00 57.16 57.62 1p80 n GLU 344 Cb 0.34 -1.50 0.32 0.00 -1.01 0.00 0.00 31.44 29.60 1p80 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1p80 n ASP 345 N -1.45 4.12 -0.26 1.62 9.92 -0.20 -4.60 116.55 125.71 1p80 n ASP 345 Ca 0.05 -2.21 0.07 0.00 -0.53 0.00 0.00 54.79 52.17 1p80 n ASP 345 Cb 0.17 -0.51 0.21 0.00 -0.64 0.00 0.00 41.12 40.35 1p80 n ASP 345 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1p80 h GLU 346 N 3.99 0.33 -0.69 -1.24 4.81 -1.54 -2.10 114.58 118.13 1p80 h GLU 346 Ca 0.00 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.89 1p80 h GLU 346 Cb 1.16 -0.08 -0.19 0.00 0.63 0.00 0.00 28.75 30.27 1p80 h GLU 346 CO 0.11 0.22 0.31 1.19 -0.73 0.00 0.00 179.01 180.11 1p80 n PHE 347 N -5.09 2.18 1.40 0.92 3.01 -1.26 -4.57 117.46 114.04 1p80 n PHE 347 Ca 0.16 -1.60 0.14 0.00 1.01 0.00 0.00 57.45 57.16 1p80 n PHE 347 Cb 0.49 -0.71 0.44 0.00 -0.01 0.00 0.00 39.48 39.68 1p80 n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1p80 n LYS 348 N -0.93 1.79 -3.43 -1.08 5.02 -0.79 -4.91 118.16 113.82 1p80 n LYS 348 Ca 0.45 -1.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.38 1p80 n LYS 348 Cb 1.37 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1p80 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p80 s PHE 349 N -2.01 2.20 -1.02 2.13 0.40 -1.26 -5.02 117.98 113.40 1p80 s PHE 349 Ca 0.36 -0.61 0.16 0.00 -0.60 0.00 0.00 56.93 56.24 1p80 s PHE 349 Cb 0.21 -2.16 0.69 0.00 0.51 0.00 0.00 43.02 42.27 1p80 s PHE 349 CO 0.33 -0.48 1.59 -0.40 0.70 0.00 0.00 175.22 176.96 1p80 n ASP 350 N -1.80 4.64 -4.33 1.36 5.68 -1.26 -4.83 116.55 116.01 1p80 n ASP 350 Ca 0.06 -2.50 -0.18 0.00 -0.50 0.00 0.00 54.79 51.68 1p80 n ASP 350 Cb 0.62 -0.58 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 1p80 n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1p80 s PHE 351 N -1.98 1.61 -0.04 2.11 -0.12 -1.26 -5.05 117.98 113.26 1p80 s PHE 351 Ca 0.48 -0.70 -0.24 0.00 -0.05 0.00 0.00 56.93 56.42 1p80 s PHE 351 Cb 0.32 -0.82 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 1p80 s PHE 351 CO 0.22 0.21 0.74 0.34 -0.05 0.00 0.00 175.22 176.67 1p80 s ASP 352 N -3.30 7.07 0.52 1.98 3.68 -1.26 -4.94 116.67 120.42 1p80 s ASP 352 Ca 0.23 1.28 0.27 0.00 2.13 0.00 0.00 52.55 56.47 1p80 s ASP 352 Cb 0.02 -2.44 1.42 0.00 -1.45 0.00 0.00 42.92 40.47 1p80 s ASP 352 CO 0.06 -0.09 2.06 -0.07 0.13 0.00 0.00 175.17 177.26 1p80 h LEU 353 N 6.50 0.00 -0.42 -1.34 3.38 -1.97 -2.26 115.31 119.20 1p80 h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1p80 h LEU 353 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1p80 h LEU 353 CO 0.74 0.12 -0.03 0.18 0.09 0.00 0.00 178.44 179.55 1p80 n LEU 354 N -3.63 0.68 -4.56 1.67 4.77 -1.26 -4.38 117.00 110.29 1p80 n LEU 354 Ca -0.02 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 1p80 n LEU 354 Cb 0.25 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1p80 n LEU 354 CO 0.30 0.12 0.39 -0.62 -1.33 0.00 0.00 177.39 176.25 1p80 s ASP 355 N -2.11 6.40 0.00 -1.43 3.68 -0.85 -4.32 116.67 118.04 1p80 s ASP 355 Ca 0.40 0.02 0.18 0.00 2.13 0.00 0.00 52.55 55.27 1p80 s ASP 355 Cb 0.21 -2.33 1.06 0.00 -1.45 0.00 0.00 42.92 40.41 1p80 s ASP 355 CO 0.38 -0.65 1.50 -0.81 0.13 0.00 0.00 175.17 175.72 1p80 n PRO 356 N 6.12 0.70 -0.19 4.34 -0.04 -1.26 -2.30 135.00 142.38 1p80 n PRO 356 Ca -0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1p80 n PRO 356 Cb 0.48 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.76 1p80 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p80 n THR 357 N -0.89 0.52 -4.83 0.52 -2.24 -1.26 -0.46 114.28 105.64 1p80 n THR 357 Ca 0.13 -0.76 -0.33 0.00 -2.27 0.00 0.00 64.05 60.82 1p80 n THR 357 Cb 0.06 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.11 1p80 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p80 s LYS 358 N -1.42 3.14 0.30 -0.78 -0.14 -0.97 -4.86 119.74 115.00 1p80 s LYS 358 Ca 0.37 -0.70 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 1p80 s LYS 358 Cb 0.22 -2.55 -0.02 0.00 -1.68 0.00 0.00 37.83 33.80 1p80 s LYS 358 CO 0.30 0.32 0.43 -0.48 -0.76 0.00 0.00 175.35 175.17 1p80 s LEU 359 N 0.06 4.12 -0.41 3.17 0.05 -1.26 -4.82 118.68 119.59 1p80 s LEU 359 Ca -0.05 -0.00 -0.09 0.00 0.05 0.00 0.00 54.13 54.03 1p80 s LEU 359 Cb -0.15 -2.86 0.07 0.00 -2.05 0.00 0.00 46.19 41.21 1p80 s LEU 359 CO 0.04 -0.27 0.24 -0.63 -0.55 0.00 0.00 176.35 175.19 1p80 s ILE 360 N -2.11 4.21 0.24 1.48 1.01 -1.26 -5.06 121.20 119.71 1p80 s ILE 360 Ca 0.40 -1.34 -0.31 0.00 0.00 0.00 0.00 60.65 59.39 1p80 s ILE 360 Cb -0.09 -3.55 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 1p80 s ILE 360 CO 0.31 -0.46 1.36 -2.65 0.00 0.00 0.00 174.94 173.49 1p80 n PRO 361 N 4.91 1.92 0.25 2.79 -0.02 -1.26 -4.83 135.00 138.76 1p80 n PRO 361 Ca -0.10 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1p80 n PRO 361 Cb 0.43 -2.30 0.61 0.00 -0.02 0.00 0.00 33.50 32.22 1p80 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p80 h GLU 362 N 3.90 0.00 -0.41 -0.52 5.08 -1.98 -1.21 114.58 119.44 1p80 h GLU 362 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1p80 h GLU 362 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1p80 h GLU 362 CO 0.73 0.13 0.15 0.93 -1.00 0.00 0.00 179.01 179.95 1p80 h GLU 363 N 0.00 0.58 0.15 2.33 4.39 -1.96 -3.00 114.58 117.06 1p80 h GLU 363 Ca -0.00 -0.08 -0.27 0.00 0.34 0.00 0.00 59.36 59.35 1p80 h GLU 363 Cb 0.57 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1p80 h GLU 363 CO 0.02 0.50 -1.33 -0.07 -1.16 0.00 0.00 179.01 176.96 1p80 h LEU 364 N 0.58 0.48 -7.07 1.33 3.38 -1.62 -3.44 115.31 108.95 1p80 h LEU 364 Ca 0.14 -0.90 -0.53 0.00 0.09 0.00 0.00 57.88 56.68 1p80 h LEU 364 Cb 0.15 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 40.34 1p80 h LEU 364 CO -0.01 1.60 -0.76 -0.69 0.09 0.00 0.00 178.44 178.67 1p80 s VAL 365 N -2.49 0.38 0.70 1.22 1.01 -0.64 -5.06 120.40 115.52 1p80 s VAL 365 Ca -0.17 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1p80 s VAL 365 Cb 0.04 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1p80 s VAL 365 CO 0.81 -0.52 1.19 -2.16 0.00 0.00 0.00 175.10 174.42 1p80 s PRO 366 N 1.89 2.35 -0.21 2.72 0.04 -1.14 -4.22 135.00 136.43 1p80 s PRO 366 Ca 0.06 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1p80 s PRO 366 Cb -0.17 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1p80 s PRO 366 CO -0.22 -1.66 0.64 0.08 0.04 0.00 0.00 177.00 175.88 1p80 s VAL 367 N -2.01 5.01 -0.22 -0.36 1.01 -1.26 -4.42 120.40 118.14 1p80 s VAL 367 Ca 0.73 1.19 -0.23 0.00 0.00 0.00 0.00 61.98 63.67 1p80 s VAL 367 Cb -0.28 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1p80 s VAL 367 CO 0.43 0.09 0.75 -1.58 0.00 0.00 0.00 175.10 174.79 1p80 s GLN 368 N 2.07 4.19 -0.16 2.72 0.74 0.28 -4.83 119.66 124.68 1p80 s GLN 368 Ca 0.28 0.81 -0.29 0.00 0.05 0.00 0.00 55.36 56.21 1p80 s GLN 368 Cb -0.16 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1p80 s GLN 368 CO 0.10 -0.40 1.42 1.03 -0.55 0.00 0.00 175.29 176.88 1p80 s ARG 369 N 2.45 4.12 -0.06 1.67 0.52 -1.26 -0.90 118.95 125.49 1p80 s ARG 369 Ca 0.32 1.74 0.08 0.00 -0.52 0.00 0.00 55.73 57.36 1p80 s ARG 369 Cb -0.16 -3.87 -0.11 0.00 0.52 0.00 0.00 34.95 31.33 1p80 s ARG 369 CO 0.09 -0.88 0.08 0.28 0.02 0.00 0.00 175.30 174.89 1p80 n VAL 370 N 5.65 0.41 -4.00 3.52 0.31 0.22 -4.93 118.33 119.52 1p80 n VAL 370 Ca 0.16 -0.31 0.02 0.00 -0.01 0.00 0.00 64.34 64.19 1p80 n VAL 370 Cb 0.45 -0.46 0.01 0.00 -0.91 0.00 0.00 33.84 32.93 1p80 n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p80 n GLY 371 N 2.34 0.26 2.96 2.92 0.00 -1.18 -0.97 105.19 111.52 1p80 n GLY 371 Ca -0.10 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 1p80 n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p80 s LYS 372 N -2.02 0.60 -0.10 1.61 2.20 -0.57 -0.59 119.74 120.87 1p80 s LYS 372 Ca 0.29 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1p80 s LYS 372 Cb -0.01 -0.59 -0.02 0.00 -1.51 0.00 0.00 37.83 35.70 1p80 s LYS 372 CO 0.00 0.09 -0.11 1.41 -0.36 0.00 0.00 175.35 176.38 1p80 s MET 373 N 0.10 3.08 -0.11 4.03 -2.45 0.22 -1.73 119.30 122.45 1p80 s MET 373 Ca -0.01 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.82 1p80 s MET 373 Cb -0.06 -2.60 0.01 0.00 1.25 0.00 0.00 34.83 33.43 1p80 s MET 373 CO -0.00 0.42 -0.16 0.08 1.05 0.00 0.00 175.02 176.40 1p80 s VAL 374 N -0.16 1.57 -0.41 10.11 1.01 -0.17 -1.16 120.40 131.18 1p80 s VAL 374 Ca 0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1p80 s VAL 374 Cb -0.13 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1p80 s VAL 374 CO 0.03 0.45 0.31 -0.76 0.00 0.00 0.00 175.10 175.14 1p80 s LEU 375 N 0.86 5.10 -0.03 3.92 1.02 -0.16 -1.24 118.68 128.15 1p80 s LEU 375 Ca -0.09 -0.89 0.05 0.00 0.02 0.00 0.00 54.13 53.22 1p80 s LEU 375 Cb -0.15 -2.18 0.08 0.00 0.02 0.00 0.00 46.19 43.95 1p80 s LEU 375 CO 0.00 -0.46 0.94 -0.46 0.02 0.00 0.00 176.35 176.39 1p80 n ASN 376 N 5.20 1.46 -3.69 2.29 6.94 -0.49 -3.68 115.26 123.29 1p80 n ASN 376 Ca -0.11 -2.09 -0.11 0.00 -0.02 0.00 0.00 54.58 52.26 1p80 n ASN 376 Cb 0.47 -0.14 -0.10 0.00 -2.36 0.00 0.00 39.78 37.66 1p80 n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1p80 s ARG 377 N -1.18 0.51 0.64 -3.83 3.52 -1.00 -4.99 118.95 112.64 1p80 s ARG 377 Ca 0.08 0.85 -0.11 0.00 -0.13 0.00 0.00 55.73 56.43 1p80 s ARG 377 Cb 0.07 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1p80 s ARG 377 CO 0.01 -0.13 1.04 -0.80 -0.81 0.00 0.00 175.30 174.61 1p80 s ASN 378 N 1.12 5.92 1.03 -2.12 0.01 -1.26 -0.67 114.94 118.96 1p80 s ASN 378 Ca -0.07 1.27 -0.12 0.00 -0.71 0.00 0.00 52.86 53.23 1p80 s ASN 378 Cb -0.06 -2.24 0.20 0.00 0.41 0.00 0.00 41.25 39.57 1p80 s ASN 378 CO -0.10 -1.04 1.07 -2.84 -1.51 0.00 0.00 177.10 172.68 1p80 s PRO 379 N -5.22 0.20 -0.14 -0.60 0.02 -1.26 -3.68 135.00 124.32 1p80 s PRO 379 Ca 0.56 0.77 -0.12 0.00 0.02 0.00 0.00 61.00 62.23 1p80 s PRO 379 Cb -0.11 -1.69 -0.25 0.00 0.02 0.00 0.00 34.50 32.47 1p80 s PRO 379 CO 0.52 -2.96 0.38 -0.44 -0.33 0.00 0.00 177.00 174.18 1p80 h ASP 380 N -2.07 0.32 -3.23 2.53 3.45 -1.95 -0.73 116.42 114.74 1p80 h ASP 380 Ca -0.55 -0.82 -0.46 0.00 0.43 0.00 0.00 57.03 55.62 1p80 h ASP 380 Cb 1.32 -0.10 -0.38 0.00 -0.56 0.00 0.00 39.33 39.60 1p80 h ASP 380 CO 0.53 1.72 -0.78 0.21 -1.57 0.00 0.00 179.24 179.36 1p80 s ASN 381 N -7.01 1.75 0.11 6.45 3.84 -1.26 -4.64 114.94 114.18 1p80 s ASN 381 Ca -0.23 -0.15 -0.22 0.00 0.21 0.00 0.00 52.86 52.47 1p80 s ASN 381 Cb 0.06 -0.55 -0.07 0.00 -0.55 0.00 0.00 41.25 40.13 1p80 s ASN 381 CO 0.73 -0.17 1.70 0.15 -2.79 0.00 0.00 177.10 176.72 1p80 h PHE 382 N 8.28 -0.19 0.08 0.43 3.57 -1.98 -2.04 116.94 125.10 1p80 h PHE 382 Ca -0.23 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1p80 h PHE 382 Cb 1.13 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1p80 h PHE 382 CO 0.48 -0.12 -0.04 0.35 -2.23 0.00 0.00 178.31 176.75 1p80 h PHE 383 N -0.10 -0.10 -0.68 0.41 3.04 -1.96 0.20 116.94 117.75 1p80 h PHE 383 Ca 0.06 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1p80 h PHE 383 Cb 0.18 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1p80 h PHE 383 CO -0.18 -0.05 0.28 0.00 -2.02 0.00 0.00 178.31 176.35 1p80 h ALA 384 N 0.79 1.21 0.00 2.41 0.00 -1.94 -2.46 119.26 119.28 1p80 h ALA 384 Ca -0.01 -0.17 -0.43 0.00 0.00 0.00 0.00 54.91 54.30 1p80 h ALA 384 Cb 0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1p80 h ALA 384 CO 0.02 0.58 -2.47 0.39 0.00 0.00 0.00 179.25 177.77 1p80 n GLU 385 N -4.31 0.61 -0.05 0.00 1.02 -0.78 -4.27 120.64 112.86 1p80 n GLU 385 Ca 0.06 0.24 -0.02 0.00 -0.02 0.00 0.00 57.16 57.43 1p80 n GLU 385 Cb 0.17 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1p80 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1p80 h ASN 386 N -0.67 0.00 -0.93 1.62 -0.73 -0.79 -3.16 115.58 110.94 1p80 h ASN 386 Ca -0.65 -0.05 0.09 0.00 1.87 0.00 0.00 56.30 57.56 1p80 h ASN 386 Cb 1.70 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.22 1p80 h ASN 386 CO -0.30 0.57 0.57 -0.08 -0.37 0.00 0.00 177.43 177.81 1p80 h GLU 387 N -1.00 0.94 -0.00 6.67 4.57 -1.04 -1.72 114.58 122.99 1p80 h GLU 387 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1p80 h GLU 387 Cb 0.13 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1p80 h GLU 387 CO -0.00 0.62 -0.09 1.04 -1.18 0.00 0.00 179.01 179.40 1p80 n GLN 388 N -4.63 0.48 -1.95 1.92 6.02 -0.95 -4.90 117.38 113.36 1p80 n GLN 388 Ca 0.15 -0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 1p80 n GLN 388 Cb 0.26 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 1p80 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p80 s ALA 389 N -2.61 3.52 -0.24 -1.58 0.00 -0.65 -4.88 121.76 115.34 1p80 s ALA 389 Ca 0.26 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.64 1p80 s ALA 389 Cb 0.20 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.83 1p80 s ALA 389 CO 0.49 -0.86 -0.05 0.00 0.00 0.00 0.00 175.76 175.34 1p80 s ALA 390 N -1.14 1.96 0.01 0.00 0.00 -1.26 -5.05 121.76 116.29 1p80 s ALA 390 Ca 0.51 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1p80 s ALA 390 Cb -0.43 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1p80 s ALA 390 CO 0.58 -1.21 0.13 -0.06 0.00 0.00 0.00 175.76 175.19 1p80 s PHE 391 N 1.39 3.38 -0.15 0.00 0.08 -1.26 -5.01 117.98 116.42 1p80 s PHE 391 Ca -0.05 0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.17 1p80 s PHE 391 Cb -0.19 -1.76 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1p80 s PHE 391 CO -0.07 0.58 0.34 -1.58 -0.10 0.00 0.00 175.22 174.40 1p80 s HIS 392 N -1.29 -0.51 -0.01 0.36 2.46 -1.26 -4.98 115.29 110.06 1p80 s HIS 392 Ca 0.26 1.11 0.31 0.00 0.47 0.00 0.00 55.06 57.22 1p80 s HIS 392 Cb -0.12 0.17 1.42 0.00 -0.13 0.00 0.00 32.58 33.91 1p80 s HIS 392 CO 0.18 -0.32 1.94 -1.00 -2.47 0.00 0.00 174.74 173.06 1p80 h PRO 393 N 7.34 0.00 0.00 2.88 0.13 -1.91 -0.80 132.00 139.63 1p80 h PRO 393 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1p80 h PRO 393 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1p80 h PRO 393 CO 0.29 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 1p80 n GLY 394 N -0.30 -1.31 3.54 1.56 0.00 -1.26 -4.53 105.19 102.89 1p80 n GLY 394 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1p80 n GLY 394 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p80 s HIS 395 N -3.01 2.76 0.46 1.61 3.76 -0.31 -4.95 115.29 115.61 1p80 s HIS 395 Ca 0.11 -1.20 0.06 0.00 -0.15 0.00 0.00 55.06 53.88 1p80 s HIS 395 Cb 0.15 -4.60 -0.02 0.00 1.11 0.00 0.00 32.58 29.21 1p80 s HIS 395 CO 0.43 -1.79 0.22 0.96 -0.85 0.00 0.00 174.74 173.71 1p80 s ILE 396 N 4.14 2.00 0.21 0.60 -4.36 -1.26 -1.53 121.20 121.00 1p80 s ILE 396 Ca 0.45 -1.67 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1p80 s ILE 396 Cb -0.00 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.99 1p80 s ILE 396 CO -0.06 0.00 -0.04 0.68 0.24 0.00 0.00 174.94 175.77 1p80 s VAL 397 N -2.68 1.10 0.18 8.37 -7.23 -1.26 -4.83 120.40 114.05 1p80 s VAL 397 Ca 0.35 -2.05 -0.33 0.00 -1.81 0.00 0.00 61.98 58.14 1p80 s VAL 397 Cb 0.02 -2.19 -0.14 0.00 0.56 0.00 0.00 36.38 34.62 1p80 s VAL 397 CO 0.20 -0.46 1.45 -2.65 -0.31 0.00 0.00 175.10 173.33 1p80 n PRO 398 N -0.35 1.88 0.00 4.82 -0.02 -1.26 -1.65 135.00 138.42 1p80 n PRO 398 Ca -0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1p80 n PRO 398 Cb 0.63 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1p80 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p80 n GLY 399 N 2.71 1.19 3.30 -1.23 0.00 -1.26 -3.45 105.19 106.44 1p80 n GLY 399 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1p80 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p80 s LEU 400 N 0.00 2.48 0.21 0.99 1.43 -0.66 -0.84 118.68 122.29 1p80 s LEU 400 Ca 0.00 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 51.97 1p80 s LEU 400 Cb 0.00 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.63 1p80 s LEU 400 CO 0.00 -0.15 0.63 -0.62 0.23 0.00 0.00 176.35 176.44 1p80 s ASP 401 N -2.86 -0.39 0.86 2.29 3.68 0.09 -4.75 116.67 115.59 1p80 s ASP 401 Ca 0.16 -0.33 -0.09 0.00 2.13 0.00 0.00 52.55 54.41 1p80 s ASP 401 Cb -0.03 0.65 0.17 0.00 -1.45 0.00 0.00 42.92 42.26 1p80 s ASP 401 CO 0.05 -1.13 1.19 -0.36 0.13 0.00 0.00 175.17 175.04 1p80 s PHE 402 N -3.84 1.52 0.43 -5.34 0.40 -1.26 -0.92 117.98 108.98 1p80 s PHE 402 Ca 0.06 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1p80 s PHE 402 Cb -0.03 -3.65 -0.02 0.00 0.51 0.00 0.00 43.02 39.84 1p80 s PHE 402 CO -0.03 -2.28 0.15 0.95 0.70 0.00 0.00 175.22 174.71 1p80 s THR 403 N -3.58 0.48 -1.78 0.64 -4.23 -1.26 -4.44 115.64 101.47 1p80 s THR 403 Ca 0.71 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 1p80 s THR 403 Cb -0.04 -2.27 0.12 0.00 1.34 0.00 0.00 72.50 71.65 1p80 s THR 403 CO 0.49 0.00 1.02 0.59 -0.54 0.00 0.00 174.62 176.18 1p80 n ASN 404 N -1.49 0.91 -4.64 3.99 3.02 -1.26 -4.72 115.26 111.07 1p80 n ASN 404 Ca -0.06 -2.03 -0.52 0.00 -0.03 0.00 0.00 54.58 51.94 1p80 n ASN 404 Cb 0.64 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 1p80 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p80 n ASP 405 N -0.08 2.29 0.15 6.41 -0.08 -1.26 -4.80 116.55 119.18 1p80 n ASP 405 Ca 0.04 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.54 1p80 n ASP 405 Cb 0.17 -1.25 0.44 0.00 2.34 0.00 0.00 41.12 42.82 1p80 n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1p80 h PRO 406 N 5.90 0.00 0.10 -0.67 0.13 -1.76 -1.10 132.00 134.60 1p80 h PRO 406 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1p80 h PRO 406 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1p80 h PRO 406 CO 0.86 0.00 -0.86 1.25 -0.23 0.00 0.00 178.00 179.02 1p80 h LEU 407 N 0.00 0.32 -0.71 1.56 5.85 -1.85 -2.74 115.31 117.75 1p80 h LEU 407 Ca 0.00 -0.90 -0.03 0.00 0.84 0.00 0.00 57.88 57.79 1p80 h LEU 407 Cb 0.62 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1p80 h LEU 407 CO 0.00 1.39 0.33 0.25 -0.34 0.00 0.00 178.44 180.06 1p80 h LEU 408 N -0.52 0.94 -0.76 2.25 5.85 -1.84 -2.31 115.31 118.92 1p80 h LEU 408 Ca -0.17 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.50 1p80 h LEU 408 Cb 1.53 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1p80 h LEU 408 CO 0.07 0.82 0.40 1.56 -0.34 0.00 0.00 178.44 180.95 1p80 h GLN 409 N 1.00 0.65 0.00 1.25 1.08 -1.34 -2.13 115.11 115.62 1p80 h GLN 409 Ca 0.24 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.25 1p80 h GLN 409 Cb 0.14 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1p80 h GLN 409 CO -0.03 0.43 -0.74 0.78 -0.95 0.00 0.00 178.83 178.32 1p80 h GLY 410 N 0.67 0.00 1.53 3.46 0.00 -1.55 -3.08 103.07 104.10 1p80 h GLY 410 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1p80 h GLY 410 CO -0.27 0.00 0.31 3.21 0.00 0.00 0.00 176.54 179.79 1p80 h ARG 411 N 0.00 0.63 -0.71 4.80 3.08 -0.85 -2.15 114.38 119.18 1p80 h ARG 411 Ca -0.01 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.13 1p80 h ARG 411 Cb 1.40 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.26 1p80 h ARG 411 CO 0.10 0.42 0.47 -0.07 -1.07 0.00 0.00 179.97 179.82 1p80 h LEU 412 N 0.64 0.42 0.23 3.04 3.38 -1.38 -1.71 115.31 119.94 1p80 h LEU 412 Ca 0.17 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.85 1p80 h LEU 412 Cb -0.07 -0.07 0.04 0.00 0.09 0.00 0.00 40.66 40.65 1p80 h LEU 412 CO -0.04 0.24 -1.38 0.15 0.09 0.00 0.00 178.44 177.50 1p80 h PHE 413 N 0.46 0.94 -0.40 1.13 3.57 -1.54 -3.41 116.94 117.68 1p80 h PHE 413 Ca 0.34 -0.68 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1p80 h PHE 413 Cb 0.69 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1p80 h PHE 413 CO -0.00 1.53 0.20 1.03 -2.23 0.00 0.00 178.31 178.83 1p80 h SER 414 N 0.09 0.52 -0.48 0.41 0.87 -1.03 -3.04 113.55 110.88 1p80 h SER 414 Ca -0.24 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.08 1p80 h SER 414 Cb 2.08 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.90 1p80 h SER 414 CO 0.26 0.49 -0.16 1.88 -0.53 0.00 0.00 176.83 178.77 1p80 h TYR 415 N 0.51 1.11 -0.41 2.24 0.05 -1.75 -1.15 116.97 117.57 1p80 h TYR 415 Ca 0.14 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 1p80 h TYR 415 Cb 0.11 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1p80 h TYR 415 CO -0.01 1.06 0.24 1.15 -1.05 0.00 0.00 178.16 179.54 1p80 h THR 416 N 0.86 1.14 -0.13 -2.88 2.02 -1.79 -2.59 112.91 109.53 1p80 h THR 416 Ca 0.12 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1p80 h THR 416 Cb 0.73 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1p80 h THR 416 CO 0.06 0.14 0.05 -0.78 0.37 0.00 0.00 175.52 175.36 1p80 h ASP 417 N 0.53 0.19 0.12 4.18 3.58 -1.39 -2.81 116.42 120.82 1p80 h ASP 417 Ca 0.14 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 1p80 h ASP 417 Cb 0.02 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1p80 h ASP 417 CO -0.03 0.32 -0.20 0.00 -2.88 0.00 0.00 179.24 176.46 1p80 h THR 418 N 0.05 1.19 0.00 2.25 1.03 -1.17 -2.78 112.91 113.49 1p80 h THR 418 Ca 0.04 -0.89 -0.02 0.00 -0.01 0.00 0.00 66.41 65.54 1p80 h THR 418 Cb 0.20 1.35 -0.00 0.00 -1.07 0.00 0.00 68.15 68.62 1p80 h THR 418 CO -0.00 0.27 -0.11 1.56 -0.01 0.00 0.00 175.52 177.22 1p80 h GLN 419 N 0.15 0.00 -0.59 0.00 4.20 -1.20 -1.91 115.11 115.76 1p80 h GLN 419 Ca 0.03 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1p80 h GLN 419 Cb 0.44 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1p80 h GLN 419 CO 0.03 0.11 0.37 0.82 -0.67 0.00 0.00 178.83 179.49 1p80 h ILE 420 N 0.00 1.09 0.16 2.54 1.08 -1.44 -1.12 117.51 119.83 1p80 h ILE 420 Ca -0.00 -0.25 -0.35 0.00 -0.39 0.00 0.00 64.86 63.87 1p80 h ILE 420 Cb 0.60 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1p80 h ILE 420 CO 0.01 0.13 -1.80 0.77 -0.69 0.00 0.00 178.15 176.58 1p80 h SER 421 N 0.74 0.54 -0.77 1.72 4.64 -1.66 0.16 113.55 118.93 1p80 h SER 421 Ca 0.23 -0.89 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 1p80 h SER 421 Cb -0.01 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 1p80 h SER 421 CO -0.08 1.76 0.40 -0.09 -0.87 0.00 0.00 176.83 177.95 1p80 h ARG 422 N 0.09 1.08 -0.34 4.77 2.43 -1.34 -2.99 114.38 118.10 1p80 h ARG 422 Ca -0.36 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1p80 h ARG 422 Cb 2.08 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1p80 h ARG 422 CO 0.15 0.82 0.00 1.28 -1.51 0.00 0.00 179.97 180.71 1p80 n LEU 423 N -4.42 4.13 -0.01 3.80 4.77 -0.43 -4.40 117.00 120.44 1p80 n LEU 423 Ca 0.07 -2.88 -0.00 0.00 -0.03 0.00 0.00 56.01 53.17 1p80 n LEU 423 Cb 0.11 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1p80 n LEU 423 CO 0.38 0.68 -0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1p80 n GLY 424 N -0.16 0.46 0.00 -0.72 0.00 -1.06 -4.79 105.19 98.92 1p80 n GLY 424 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1p80 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p80 n GLY 425 N -2.67 -0.99 0.35 -0.02 0.00 0.55 -4.77 105.19 97.64 1p80 n GLY 425 Ca -0.00 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1p80 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p80 n PRO 426 N -0.28 1.31 -1.24 1.61 -0.04 -1.26 -3.83 135.00 131.26 1p80 n PRO 426 Ca 0.00 -0.71 -0.25 0.00 -0.04 0.00 0.00 63.50 62.50 1p80 n PRO 426 Cb 0.00 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.12 1p80 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p80 n ASN 427 N -0.23 4.83 0.29 3.54 3.02 -1.26 -4.59 115.26 120.85 1p80 n ASN 427 Ca 0.17 -3.69 0.17 0.00 -0.03 0.00 0.00 54.58 51.20 1p80 n ASN 427 Cb 0.33 -0.84 0.83 0.00 -0.61 0.00 0.00 39.78 39.50 1p80 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p80 h PHE 428 N 1.35 0.00 0.00 3.10 -5.15 -1.87 -0.80 116.94 113.57 1p80 h PHE 428 Ca 0.57 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.34 1p80 h PHE 428 Cb 2.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.23 1p80 h PHE 428 CO 1.46 0.04 0.00 -2.39 -2.00 0.00 0.00 178.31 175.42 1p80 n HIS 429 N -3.24 0.40 1.02 6.09 1.44 -1.26 -1.89 115.22 117.78 1p80 n HIS 429 Ca -0.01 0.15 0.12 0.00 -2.01 0.00 0.00 57.72 55.98 1p80 n HIS 429 Cb 0.23 -0.75 0.32 0.00 0.12 0.00 0.00 29.99 29.91 1p80 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1p80 n GLU 430 N -1.86 0.06 -2.14 -1.40 1.02 -0.31 -3.20 120.64 112.82 1p80 n GLU 430 Ca 0.03 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1p80 n GLU 430 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1p80 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p80 s ILE 431 N -2.96 3.25 0.24 -3.67 1.01 -0.79 -4.84 121.20 113.43 1p80 s ILE 431 Ca 0.13 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.49 1p80 s ILE 431 Cb 0.18 -3.56 0.28 0.00 0.01 0.00 0.00 42.46 39.37 1p80 s ILE 431 CO 0.66 0.06 1.56 -0.65 0.00 0.00 0.00 174.94 176.57 1p80 h PRO 432 N 6.99 -0.02 0.00 2.79 0.11 -1.89 -0.12 132.00 139.86 1p80 h PRO 432 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1p80 h PRO 432 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p80 h PRO 432 CO 0.88 -0.01 -0.07 0.97 -0.21 0.00 0.00 178.00 179.55 1p80 h ILE 433 N -0.02 0.88 0.00 4.15 6.09 -1.91 -2.51 117.51 124.19 1p80 h ILE 433 Ca 0.36 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.59 1p80 h ILE 433 Cb 0.62 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.06 1p80 h ILE 433 CO -0.94 0.07 -0.44 0.59 -3.07 0.00 0.00 178.15 174.36 1p80 n ASN 434 N -4.21 0.56 -4.76 2.19 3.02 -0.08 -4.94 115.26 107.05 1p80 n ASN 434 Ca -0.03 0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 1p80 n ASN 434 Cb 0.15 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1p80 n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1p80 s ARG 435 N -3.09 4.27 0.76 3.52 0.52 -0.95 -4.86 118.95 119.12 1p80 s ARG 435 Ca 0.09 2.32 -0.13 0.00 -0.52 0.00 0.00 55.73 57.50 1p80 s ARG 435 Cb 0.15 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.61 1p80 s ARG 435 CO 0.68 -0.36 1.13 -2.14 0.02 0.00 0.00 175.30 174.63 1p80 s PRO 436 N -1.18 2.15 0.02 3.54 0.02 -1.26 -4.93 135.00 133.36 1p80 s PRO 436 Ca 0.54 1.44 0.22 0.00 0.02 0.00 0.00 61.00 63.23 1p80 s PRO 436 Cb -0.42 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.14 1p80 s PRO 436 CO 0.50 -1.76 0.88 0.25 -0.33 0.00 0.00 177.00 176.55 1p80 n THR 437 N -3.16 0.10 -2.77 0.99 -2.24 -1.26 -4.91 114.28 101.04 1p80 n THR 437 Ca 0.11 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 1p80 n THR 437 Cb 0.52 0.33 0.03 0.00 -2.10 0.00 0.00 70.33 69.11 1p80 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p80 s PRO 439 N -4.69 3.88 -0.04 0.00 0.02 -1.26 -5.03 135.00 127.89 1p80 s PRO 439 Ca 0.54 2.47 -0.01 0.00 0.02 0.00 0.00 61.00 64.02 1p80 s PRO 439 Cb -0.10 -2.80 0.03 0.00 0.02 0.00 0.00 34.50 31.65 1p80 s PRO 439 CO 0.38 -0.68 0.04 1.52 -0.33 0.00 0.00 177.00 177.93 1p80 s TYR 440 N -1.17 0.12 -0.07 6.54 1.13 -1.26 -4.97 117.35 117.67 1p80 s TYR 440 Ca 0.57 0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 56.36 1p80 s TYR 440 Cb -0.45 -0.42 0.04 0.00 -1.10 0.00 0.00 41.96 40.03 1p80 s TYR 440 CO 0.59 -0.16 0.16 -1.01 -2.51 0.00 0.00 175.55 172.61 1p80 s HIS 441 N 1.70 -0.18 0.03 -3.49 3.76 -1.26 -5.16 115.29 110.68 1p80 s HIS 441 Ca -0.01 0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 55.42 1p80 s HIS 441 Cb -0.12 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1p80 s HIS 441 CO -0.03 -0.19 0.05 0.27 -0.85 0.00 0.00 174.74 174.00 1p80 n ASN 442 N 4.33 -0.15 -1.18 1.40 0.23 -1.26 -4.93 115.26 113.71 1p80 n ASN 442 Ca -0.24 -1.11 0.10 0.00 -0.53 0.00 0.00 54.58 52.81 1p80 n ASN 442 Cb 0.52 0.25 0.28 0.00 -2.08 0.00 0.00 39.78 38.75 1p80 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1p80 n PHE 443 N -0.04 0.83 -2.42 -2.53 3.01 -1.26 -4.94 117.46 110.12 1p80 n PHE 443 Ca -0.01 -0.48 -0.40 0.00 1.01 0.00 0.00 57.45 57.57 1p80 n PHE 443 Cb 0.04 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 1p80 n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1p80 s GLN 444 N -1.02 4.55 0.12 -1.08 -0.21 -1.26 -4.70 119.66 116.07 1p80 s GLN 444 Ca 0.42 1.86 -0.03 0.00 0.02 0.00 0.00 55.36 57.63 1p80 s GLN 444 Cb 0.22 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 1p80 s GLN 444 CO 0.29 0.12 0.09 1.03 -2.12 0.00 0.00 175.29 174.70 1p80 s ARG 445 N -1.58 0.92 3.77 2.91 1.81 -1.26 -5.08 118.95 120.44 1p80 s ARG 445 Ca 0.46 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.13 1p80 s ARG 445 Cb -0.33 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.44 1p80 s ARG 445 CO 0.42 -0.27 0.00 -0.25 -0.68 0.00 0.00 175.30 174.52 1p80 n ASP 446 N -0.09 -0.09 0.00 0.23 8.00 -1.26 -5.07 116.55 118.28 1p80 n ASP 446 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1p80 n ASP 446 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1p80 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p80 n GLY 447 N 0.00 -0.95 3.69 0.44 0.00 -1.26 -4.69 105.19 102.42 1p80 n GLY 447 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1p80 n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p80 n MET 448 N -0.45 1.91 -3.84 1.61 1.56 -1.26 -2.92 117.12 113.73 1p80 n MET 448 Ca 0.00 0.68 -0.25 0.00 -0.27 0.00 0.00 57.70 57.86 1p80 n MET 448 Cb 0.00 -2.35 0.00 0.00 2.15 0.00 0.00 33.22 33.03 1p80 n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1p80 n HIS 449 N -0.14 -1.76 -2.43 1.12 -0.00 -1.26 -4.43 115.22 106.33 1p80 n HIS 449 Ca 0.06 0.72 -0.43 0.00 -0.00 0.00 0.00 57.72 58.08 1p80 n HIS 449 Cb 0.39 -3.87 -0.02 0.00 -0.00 0.00 0.00 29.99 26.49 1p80 n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1p80 s ARG 450 N -6.30 4.03 -0.19 1.57 6.06 -1.15 -4.90 118.95 118.08 1p80 s ARG 450 Ca 0.08 1.39 -0.21 0.00 -2.50 0.00 0.00 55.73 54.49 1p80 s ARG 450 Cb -0.03 -3.83 -0.18 0.00 0.06 0.00 0.00 34.95 30.97 1p80 s ARG 450 CO 0.86 -0.96 0.26 0.52 -2.50 0.00 0.00 175.30 173.48 1p80 h MET 451 N 8.86 0.00 -6.66 5.12 2.86 -1.93 -3.47 114.93 119.71 1p80 h MET 451 Ca -0.26 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.86 1p80 h MET 451 Cb 1.10 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.81 1p80 h MET 451 CO 1.01 0.88 0.85 0.20 1.06 0.00 0.00 176.91 180.92 1p80 s GLY 452 N -4.67 1.81 -0.46 8.32 0.00 -1.26 -4.97 107.32 106.09 1p80 s GLY 452 Ca -0.25 1.38 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 1p80 s GLY 452 CO 0.56 2.54 0.35 -0.42 0.00 0.00 0.00 173.10 176.12 1p80 s ILE 453 N 0.73 4.68 0.06 0.90 1.01 -1.26 -4.98 121.20 122.33 1p80 s ILE 453 Ca 0.67 -1.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1p80 s ILE 453 Cb -0.44 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 1p80 s ILE 453 CO 0.36 -0.62 1.12 -1.81 0.00 0.00 0.00 174.94 173.99 1p80 s ASP 454 N 2.56 7.19 0.00 3.58 1.11 -1.26 -4.93 116.67 124.92 1p80 s ASP 454 Ca 0.04 1.92 0.19 0.00 0.18 0.00 0.00 52.55 54.88 1p80 s ASP 454 Cb -0.25 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.15 1p80 s ASP 454 CO 0.03 -0.37 0.96 0.35 1.18 0.00 0.00 175.17 177.32 1p80 n THR 455 N 3.70 0.00 -1.71 -1.27 -2.24 -1.26 -4.96 114.28 106.53 1p80 n THR 455 Ca 0.07 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1p80 n THR 455 Cb 0.48 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1p80 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p80 n ASN 456 N -0.12 3.95 -0.08 3.42 2.85 -1.26 -4.86 115.26 119.16 1p80 n ASN 456 Ca 0.08 1.05 0.11 0.00 -0.11 0.00 0.00 54.58 55.71 1p80 n ASN 456 Cb 0.40 -1.56 0.49 0.00 1.24 0.00 0.00 39.78 40.34 1p80 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p80 h PRO 457 N 6.94 0.43 -5.70 1.20 0.11 -1.93 -3.41 132.00 129.64 1p80 h PRO 457 Ca -0.44 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 1p80 h PRO 457 Cb 1.21 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1p80 h PRO 457 CO 0.95 0.28 -0.47 0.00 -0.21 0.00 0.00 178.00 178.55 1p80 s ALA 458 N -5.41 3.89 -0.17 -0.75 0.00 -1.26 -4.99 121.76 113.07 1p80 s ALA 458 Ca -0.08 -0.65 0.14 0.00 0.00 0.00 0.00 51.96 51.37 1p80 s ALA 458 Cb 0.19 -1.97 0.38 0.00 0.00 0.00 0.00 23.12 21.73 1p80 s ALA 458 CO 0.75 0.65 1.19 0.27 0.00 0.00 0.00 175.76 178.62 1p80 n ASN 459 N 1.71 1.71 -3.69 0.00 2.04 -1.26 -4.98 115.26 110.78 1p80 n ASN 459 Ca -0.17 -3.49 -0.10 0.00 -0.44 0.00 0.00 54.58 50.37 1p80 n ASN 459 Cb 0.54 -0.48 -0.05 0.00 -2.53 0.00 0.00 39.78 37.27 1p80 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1p80 s TYR 460 N -2.74 -0.11 -0.02 -2.53 -0.85 -1.26 -4.80 117.35 105.04 1p80 s TYR 460 Ca 0.35 -0.22 -0.06 0.00 -0.52 0.00 0.00 57.07 56.62 1p80 s TYR 460 Cb 0.34 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.91 1p80 s TYR 460 CO -0.06 -0.72 0.13 -1.83 -1.52 0.00 0.00 175.55 171.56 1p80 s GLU 461 N -3.83 0.34 0.43 -3.49 4.04 -1.26 -4.09 118.70 110.83 1p80 s GLU 461 Ca 0.05 -0.15 -0.23 0.00 0.04 0.00 0.00 54.97 54.68 1p80 s GLU 461 Cb 0.02 0.15 -0.08 0.00 0.02 0.00 0.00 34.13 34.23 1p80 s GLU 461 CO -0.10 -0.07 1.11 -1.25 -1.84 0.00 0.00 175.26 173.11 1p80 s PRO 462 N -0.75 3.96 0.04 -4.83 0.04 -1.26 -5.19 135.00 127.01 1p80 s PRO 462 Ca -0.08 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1p80 s PRO 462 Cb -0.05 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1p80 s PRO 462 CO 0.01 -0.35 -0.08 0.54 0.04 0.00 0.00 177.00 177.16 1p80 s ASN 463 N -1.45 0.83 -0.06 6.66 2.20 -1.26 -5.03 114.94 116.85 1p80 s ASN 463 Ca 0.61 -0.56 0.18 0.00 -0.94 0.00 0.00 52.86 52.15 1p80 s ASN 463 Cb -0.25 0.04 -0.28 0.00 -2.00 0.00 0.00 41.25 38.76 1p80 s ASN 463 CO 0.31 -0.22 0.34 -1.54 -2.94 0.00 0.00 177.10 173.06 1p80 n SER 464 N 1.43 0.68 0.29 3.54 3.41 -1.26 -1.63 113.62 120.08 1p80 n SER 464 Ca -0.23 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.57 1p80 n SER 464 Cb 0.55 1.68 0.83 0.00 -0.26 0.00 0.00 64.21 67.00 1p80 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1p80 h ILE 465 N 0.00 0.01 0.00 -1.33 3.07 -1.98 -1.70 117.51 115.58 1p80 h ILE 465 Ca -0.09 -0.38 -0.01 0.00 1.55 0.00 0.00 64.86 65.92 1p80 h ILE 465 Cb 1.11 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 39.02 1p80 h ILE 465 CO 0.01 0.00 -0.21 -3.20 -1.05 0.00 0.00 178.15 173.70 1p80 n ASN 466 N -3.10 1.96 -3.05 2.16 5.15 -1.26 -4.88 115.26 112.25 1p80 n ASN 466 Ca -0.00 -3.22 -0.21 0.00 -0.60 0.00 0.00 54.58 50.55 1p80 n ASN 466 Cb 0.24 -0.44 0.01 0.00 -0.53 0.00 0.00 39.78 39.07 1p80 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1p80 n ASP 467 N -1.19 -4.86 -0.77 1.20 2.03 -0.64 -2.25 116.55 110.07 1p80 n ASP 467 Ca 0.15 -0.25 -0.10 0.00 0.52 0.00 0.00 54.79 55.12 1p80 n ASP 467 Cb 0.67 -3.98 -0.04 0.00 -0.72 0.00 0.00 41.12 37.05 1p80 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1p80 n ASN 468 N -2.31 -4.55 -4.87 1.67 5.15 -0.65 -5.00 115.26 104.71 1p80 n ASN 468 Ca -0.09 0.25 -0.32 0.00 -0.60 0.00 0.00 54.58 53.82 1p80 n ASN 468 Cb 0.59 -2.94 -0.06 0.00 -0.53 0.00 0.00 39.78 36.85 1p80 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1p80 s TRP 469 N -2.26 3.43 0.53 1.20 0.52 -0.96 -3.69 118.94 117.71 1p80 s TRP 469 Ca 0.00 0.97 -0.20 0.00 0.02 0.00 0.00 56.10 56.88 1p80 s TRP 469 Cb 0.00 -2.33 -0.06 0.00 -1.15 0.00 0.00 33.47 29.93 1p80 s TRP 469 CO 0.00 0.25 1.14 -1.25 0.02 0.00 0.00 176.95 177.11 1p80 s PRO 470 N -2.76 3.42 0.10 4.98 0.04 -1.26 -4.90 135.00 134.62 1p80 s PRO 470 Ca 0.48 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.23 1p80 s PRO 470 Cb -0.11 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1p80 s PRO 470 CO 0.20 -0.81 0.03 1.03 0.04 0.00 0.00 177.00 177.50 1p80 s ARG 471 N -3.16 2.65 0.86 4.56 0.52 -1.24 -5.03 118.95 118.12 1p80 s ARG 471 Ca 0.71 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 1p80 s ARG 471 Cb -0.25 -2.59 0.12 0.00 0.52 0.00 0.00 34.95 32.74 1p80 s ARG 471 CO 0.29 0.54 1.17 -1.21 0.02 0.00 0.00 175.30 176.11 1p80 s GLU 472 N -2.42 1.31 -0.07 3.54 2.02 -1.26 -5.04 118.70 116.79 1p80 s GLU 472 Ca 0.27 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1p80 s GLU 472 Cb -0.12 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.39 1p80 s GLU 472 CO 0.20 -2.43 -0.05 0.99 0.02 0.00 0.00 175.26 173.98 1p80 s THR 473 N -2.42 0.66 0.69 3.63 2.01 -1.26 -5.08 115.64 113.88 1p80 s THR 473 Ca 0.70 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.40 1p80 s THR 473 Cb -0.25 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1p80 s THR 473 CO 0.54 0.28 1.12 -2.65 -0.69 0.00 0.00 174.62 173.22 1p80 n PRO 474 N 4.49 0.74 -1.94 4.92 -0.02 -1.26 -2.06 135.00 139.87 1p80 n PRO 474 Ca -0.17 0.31 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 1p80 n PRO 474 Cb 0.51 -2.36 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1p80 n PRO 474 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1p80 s PRO 475 N -3.37 2.96 0.16 0.52 0.04 -1.25 -1.86 135.00 132.20 1p80 s PRO 475 Ca 0.77 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 63.57 1p80 s PRO 475 Cb -0.36 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.25 1p80 s PRO 475 CO 0.46 -1.24 0.82 0.41 0.04 0.00 0.00 177.00 177.49 1p80 n GLY 476 N 0.62 0.76 0.21 0.56 0.00 -1.26 -4.78 105.19 101.30 1p80 n GLY 476 Ca 0.13 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 45.10 1p80 n GLY 476 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p80 h PRO 477 N 0.00 0.00 -2.25 1.61 0.13 -1.95 -3.40 132.00 126.14 1p80 h PRO 477 Ca -0.22 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1p80 h PRO 477 Cb 0.98 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.88 1p80 h PRO 477 CO 0.30 0.28 -0.01 0.21 -0.23 0.00 0.00 178.00 178.56 1p80 s LYS 478 N -4.11 0.70 -1.52 0.86 2.20 -1.26 -4.87 119.74 111.74 1p80 s LYS 478 Ca -0.02 0.89 -0.04 0.00 -0.36 0.00 0.00 55.97 56.43 1p80 s LYS 478 Cb 0.13 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1p80 s LYS 478 CO 0.67 -0.10 0.44 0.54 -0.36 0.00 0.00 175.35 176.55 1p80 n ARG 479 N 2.98 -3.90 -3.48 4.03 5.12 -1.26 -4.97 116.66 115.18 1p80 n ARG 479 Ca -0.15 0.84 -0.20 0.00 -1.93 0.00 0.00 57.85 56.41 1p80 n ARG 479 Cb 0.56 -5.63 -0.02 0.00 -1.16 0.00 0.00 32.46 26.22 1p80 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p80 s GLY 480 N -2.54 1.93 0.72 -0.13 0.00 -1.26 -4.94 107.32 101.09 1p80 s GLY 480 Ca 0.24 -1.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.14 1p80 s GLY 480 CO 0.30 -1.57 1.07 -0.32 0.00 0.00 0.00 173.10 172.58 1p80 s GLY 481 N -4.16 1.67 -0.02 0.20 0.00 -0.78 -4.75 107.32 99.49 1p80 s GLY 481 Ca 0.48 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 45.01 1p80 s GLY 481 CO 0.29 0.44 1.07 -0.12 0.00 0.00 0.00 173.10 174.78 1p80 s PHE 482 N -3.01 3.51 -0.04 1.90 5.36 -1.26 -3.86 117.98 120.56 1p80 s PHE 482 Ca 0.59 1.51 0.03 0.00 -0.96 0.00 0.00 56.93 58.10 1p80 s PHE 482 Cb -0.15 -3.25 0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1p80 s PHE 482 CO 0.55 -0.54 -0.11 -2.00 -1.46 0.00 0.00 175.22 171.66 1p80 s GLU 483 N 1.42 1.35 0.42 10.12 2.12 -1.26 -4.94 118.70 127.92 1p80 s GLU 483 Ca 0.53 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 55.24 1p80 s GLU 483 Cb -0.23 -1.19 -0.08 0.00 0.26 0.00 0.00 34.13 32.89 1p80 s GLU 483 CO 0.25 0.09 1.17 -1.12 -0.54 0.00 0.00 175.26 175.11 1p80 s SER 484 N 0.40 6.42 0.21 -1.70 0.01 -1.26 -4.97 113.70 112.81 1p80 s SER 484 Ca -0.08 2.35 -0.32 0.00 1.31 0.00 0.00 55.95 59.21 1p80 s SER 484 Cb -0.12 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.38 1p80 s SER 484 CO 0.02 -0.75 1.65 -0.47 0.41 0.00 0.00 173.24 174.10 1p80 s TYR 485 N -1.44 2.93 -1.52 2.43 5.04 -1.26 -4.87 117.35 118.65 1p80 s TYR 485 Ca 0.59 0.51 -0.11 0.00 -2.44 0.00 0.00 57.07 55.61 1p80 s TYR 485 Cb -0.30 -4.06 -0.01 0.00 0.35 0.00 0.00 41.96 37.94 1p80 s TYR 485 CO 0.38 -3.92 2.56 1.04 -1.34 0.00 0.00 175.55 174.27 1p80 n GLN 486 N 3.66 3.42 -1.91 4.97 6.02 -1.26 -4.95 117.38 127.32 1p80 n GLN 486 Ca 0.14 -2.54 -0.41 0.00 -0.01 0.00 0.00 57.00 54.19 1p80 n GLN 486 Cb 0.37 -3.00 -0.01 0.00 1.02 0.00 0.00 30.24 28.62 1p80 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1p80 s GLU 487 N 2.24 4.14 -0.04 -1.09 2.12 -1.26 -4.97 118.70 119.84 1p80 s GLU 487 Ca 0.58 2.43 -0.30 0.00 0.36 0.00 0.00 54.97 58.04 1p80 s GLU 487 Cb 0.16 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 1p80 s GLU 487 CO -0.07 -0.45 0.98 0.50 -0.54 0.00 0.00 175.26 175.68 1p80 s ARG 488 N -2.04 4.51 -0.16 4.30 6.06 -1.26 -5.04 118.95 125.32 1p80 s ARG 488 Ca 0.52 1.38 -0.00 0.00 -2.50 0.00 0.00 55.73 55.14 1p80 s ARG 488 Cb -0.44 -3.49 -0.00 0.00 0.06 0.00 0.00 34.95 31.08 1p80 s ARG 488 CO 0.59 -0.13 -0.14 0.08 -2.50 0.00 0.00 175.30 173.19 1p80 s VAL 489 N 1.33 2.76 -0.13 7.11 1.01 -1.26 -5.10 120.40 126.12 1p80 s VAL 489 Ca 0.50 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1p80 s VAL 489 Cb -0.20 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1p80 s VAL 489 CO 0.24 0.51 0.27 -1.61 0.00 0.00 0.00 175.10 174.51 1p80 s GLU 490 N 0.79 0.16 0.00 2.72 2.02 -1.26 -5.15 118.70 117.98 1p80 s GLU 490 Ca -0.05 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.67 1p80 s GLU 490 Cb -0.15 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1p80 s GLU 490 CO 0.00 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1p80 n GLY 491 N 5.19 1.22 3.95 -1.39 0.00 -1.26 -5.15 105.19 107.75 1p80 n GLY 491 Ca -0.09 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 1p80 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p80 s ASN 492 N 0.00 6.30 -0.40 1.61 -0.87 -1.26 -5.01 114.94 115.31 1p80 s ASN 492 Ca 0.00 0.40 -0.28 0.00 -1.57 0.00 0.00 52.86 51.41 1p80 s ASN 492 Cb 0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 1p80 s ASN 492 CO 0.00 -0.27 1.81 -0.54 -2.57 0.00 0.00 177.10 175.53 1p80 s LYS 493 N -4.28 3.15 0.04 -0.60 1.02 -1.26 -4.95 119.74 112.86 1p80 s LYS 493 Ca 0.39 1.22 0.01 0.00 0.02 0.00 0.00 55.97 57.61 1p80 s LYS 493 Cb -0.09 -4.24 -0.03 0.00 -0.52 0.00 0.00 37.83 32.95 1p80 s LYS 493 CO 0.35 -2.08 -0.05 0.14 -0.92 0.00 0.00 175.35 172.78 1p80 s VAL 494 N 7.48 0.37 -0.79 3.17 -7.23 -1.26 -5.08 120.40 117.06 1p80 s VAL 494 Ca 0.76 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 1p80 s VAL 494 Cb -0.20 -0.70 0.20 0.00 0.56 0.00 0.00 36.38 36.24 1p80 s VAL 494 CO 0.30 -0.55 0.67 -0.13 -0.31 0.00 0.00 175.10 175.08 1p80 s ARG 495 N -2.04 3.14 -0.14 4.82 0.52 -1.26 -5.02 118.95 118.97 1p80 s ARG 495 Ca -0.08 -2.80 -0.12 0.00 -0.52 0.00 0.00 55.73 52.21 1p80 s ARG 495 Cb -0.06 -4.02 0.04 0.00 0.52 0.00 0.00 34.95 31.43 1p80 s ARG 495 CO -0.02 -1.23 0.36 -2.00 0.02 0.00 0.00 175.30 172.43 1p80 s GLU 496 N -0.50 0.41 0.16 3.54 2.12 -1.26 -5.14 118.70 118.02 1p80 s GLU 496 Ca 0.21 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 55.80 1p80 s GLU 496 Cb -0.13 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.34 1p80 s GLU 496 CO -0.08 -0.07 0.90 0.50 -0.54 0.00 0.00 175.26 175.97 1p80 s ARG 497 N 0.40 4.71 0.29 4.30 6.06 -1.26 -5.00 118.95 128.46 1p80 s ARG 497 Ca -0.02 1.37 -0.29 0.00 -2.50 0.00 0.00 55.73 54.29 1p80 s ARG 497 Cb -0.04 -3.32 -0.10 0.00 0.06 0.00 0.00 34.95 31.55 1p80 s ARG 497 CO -0.02 0.40 1.45 0.45 -2.50 0.00 0.00 175.30 175.08 1p80 s SER 498 N -0.64 6.58 0.54 -2.12 0.15 -1.26 -4.87 113.70 112.08 1p80 s SER 498 Ca 0.42 2.78 0.22 0.00 0.70 0.00 0.00 55.95 60.07 1p80 s SER 498 Cb -0.24 -2.64 1.43 0.00 -1.71 0.00 0.00 66.02 62.86 1p80 s SER 498 CO 0.29 -0.74 2.12 -0.65 1.20 0.00 0.00 173.24 175.46 1p80 h PRO 499 N 4.39 0.00 0.00 5.44 0.11 -2.00 -0.18 132.00 139.75 1p80 h PRO 499 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1p80 h PRO 499 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1p80 h PRO 499 CO 0.74 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.18 1p80 h SER 500 N 0.00 0.00 0.29 -2.05 4.64 -2.02 -1.69 113.55 112.72 1p80 h SER 500 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1p80 h SER 500 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1p80 h SER 500 CO -0.00 0.01 -0.23 0.49 -0.87 0.00 0.00 176.83 176.23 1p80 n PHE 501 N -3.15 0.00 -0.23 4.77 3.01 -0.08 -4.36 117.46 117.42 1p80 n PHE 501 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1p80 n PHE 501 Cb 0.15 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1p80 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p80 n GLY 502 N 1.34 2.27 2.89 1.37 0.00 -0.64 -4.74 105.19 107.68 1p80 n GLY 502 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1p80 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p80 s GLU 503 N 0.14 1.32 0.00 1.61 -6.30 -1.26 -5.04 118.70 109.16 1p80 s GLU 503 Ca 0.00 -0.19 0.03 0.00 -2.50 0.00 0.00 54.97 52.30 1p80 s GLU 503 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 34.13 32.71 1p80 s GLU 503 CO 0.00 -0.22 0.12 0.66 0.02 0.00 0.00 175.26 175.83 1p80 n TYR 504 N 4.77 0.00 0.05 5.30 4.01 -1.26 -4.86 117.16 125.18 1p80 n TYR 504 Ca -0.14 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.65 1p80 n TYR 504 Cb 0.50 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.46 1p80 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p80 n TYR 505 N -1.05 0.00 0.04 -0.72 4.01 -1.26 -4.57 117.16 113.61 1p80 n TYR 505 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1p80 n TYR 505 Cb 0.04 -0.18 0.15 0.00 -0.31 0.00 0.00 39.34 39.04 1p80 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p80 h SER 506 N 0.00 0.42 -0.12 7.72 4.64 -1.89 -2.02 113.55 122.31 1p80 h SER 506 Ca 0.00 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1p80 h SER 506 Cb 0.39 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1p80 h SER 506 CO 0.00 0.82 -0.34 0.45 -0.87 0.00 0.00 176.83 176.89 1p80 h HIS 507 N 0.32 0.57 -0.71 4.77 3.86 -1.91 -0.33 115.15 121.72 1p80 h HIS 507 Ca 0.02 -0.23 0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1p80 h HIS 507 Cb 0.92 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 29.21 1p80 h HIS 507 CO 0.03 0.95 0.33 -1.35 0.86 0.00 0.00 177.93 178.75 1p80 h PRO 508 N 0.02 0.52 -0.41 2.45 0.11 -1.81 0.04 132.00 132.93 1p80 h PRO 508 Ca -0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1p80 h PRO 508 Cb 0.96 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1p80 h PRO 508 CO 0.07 0.34 0.13 -0.09 -0.21 0.00 0.00 178.00 178.25 1p80 h ARG 509 N 0.54 0.63 -0.76 1.05 2.43 -1.20 -0.19 114.38 116.88 1p80 h ARG 509 Ca 0.36 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1p80 h ARG 509 Cb 0.44 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1p80 h ARG 509 CO -0.31 0.62 0.49 1.25 -1.51 0.00 0.00 179.97 180.51 1p80 h LEU 510 N 0.51 0.82 0.32 3.80 5.85 -0.03 -1.35 115.31 125.24 1p80 h LEU 510 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1p80 h LEU 510 Cb 0.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1p80 h LEU 510 CO -0.00 0.58 -0.15 0.15 -0.34 0.00 0.00 178.44 178.67 1p80 h PHE 511 N 0.97 -0.40 -0.32 1.25 3.04 -0.77 -2.53 116.94 118.18 1p80 h PHE 511 Ca 0.29 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.31 1p80 h PHE 511 Cb -0.03 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.53 1p80 h PHE 511 CO -0.03 -0.21 -0.18 2.35 -2.02 0.00 0.00 178.31 178.22 1p80 h TRP 512 N -0.48 -0.45 0.00 0.41 2.91 -0.72 -2.10 115.95 115.52 1p80 h TRP 512 Ca -0.04 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1p80 h TRP 512 Cb 0.36 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1p80 h TRP 512 CO -0.04 -0.25 0.00 -0.07 -1.03 0.00 0.00 178.44 177.04 1p80 h LEU 513 N -0.13 0.00 -0.03 0.65 3.38 -1.23 -2.49 115.31 115.46 1p80 h LEU 513 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1p80 h LEU 513 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1p80 h LEU 513 CO -0.41 0.00 -0.29 -1.20 0.09 0.00 0.00 178.44 176.63 1p80 n SER 514 N -2.71 0.33 -4.87 -0.43 7.64 -0.80 -4.83 113.62 107.96 1p80 n SER 514 Ca 0.00 -0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 1p80 n SER 514 Cb 0.22 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 1p80 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p80 s GLN 515 N -2.95 3.79 0.91 1.43 -1.52 -0.94 -4.28 119.66 116.10 1p80 s GLN 515 Ca 0.14 0.61 -0.12 0.00 -1.95 0.00 0.00 55.36 54.03 1p80 s GLN 515 Cb 0.18 -2.29 0.14 0.00 -0.22 0.00 0.00 33.01 30.82 1p80 s GLN 515 CO 0.62 -0.16 1.11 0.95 -0.25 0.00 0.00 175.29 177.55 1p80 s THR 516 N -2.54 2.37 0.22 -0.19 -4.23 -1.26 -4.77 115.64 105.24 1p80 s THR 516 Ca 0.53 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 61.08 1p80 s THR 516 Cb -0.10 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1p80 s THR 516 CO 0.34 -0.16 1.88 -0.65 -0.54 0.00 0.00 174.62 175.50 1p80 h PRO 517 N -1.55 1.03 -0.05 3.99 0.11 -1.97 0.89 132.00 134.44 1p80 h PRO 517 Ca -0.51 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.38 1p80 h PRO 517 Cb 1.31 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1p80 h PRO 517 CO 0.59 0.68 -0.66 0.27 -0.21 0.00 0.00 178.00 178.67 1p80 h PHE 518 N 1.06 0.28 -0.66 0.65 -0.00 -1.97 -1.32 116.94 114.99 1p80 h PHE 518 Ca 0.31 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.97 58.10 1p80 h PHE 518 Cb -0.06 -0.05 -0.03 0.00 -0.00 0.00 0.00 35.95 35.82 1p80 h PHE 518 CO -0.02 0.81 0.15 0.93 -0.00 0.00 0.00 178.31 180.18 1p80 h GLU 519 N 0.15 1.05 -0.83 6.09 5.08 -1.73 -0.99 114.58 123.41 1p80 h GLU 519 Ca -0.01 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1p80 h GLU 519 Cb 1.19 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1p80 h GLU 519 CO 0.10 0.95 0.42 1.96 -1.00 0.00 0.00 179.01 181.44 1p80 h GLN 520 N 0.98 1.18 -0.58 2.33 4.20 -0.64 -1.84 115.11 120.74 1p80 h GLN 520 Ca 0.20 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1p80 h GLN 520 Cb 0.38 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1p80 h GLN 520 CO 0.00 0.89 0.32 -0.09 -0.67 0.00 0.00 178.83 179.29 1p80 h ARG 521 N 1.16 0.80 -0.33 1.46 2.43 -0.90 -1.29 114.38 117.71 1p80 h ARG 521 Ca 0.29 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1p80 h ARG 521 Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1p80 h ARG 521 CO -0.04 0.60 0.01 0.45 -1.51 0.00 0.00 179.97 179.48 1p80 h HIS 522 N 0.78 0.52 -0.16 2.20 3.86 -0.83 -0.64 115.15 120.88 1p80 h HIS 522 Ca 0.20 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1p80 h HIS 522 Cb 0.03 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1p80 h HIS 522 CO -0.01 0.51 -0.03 0.82 0.86 0.00 0.00 177.93 180.07 1p80 h ILE 523 N 0.49 1.28 -0.46 2.45 2.04 -0.92 0.28 117.51 122.67 1p80 h ILE 523 Ca 0.11 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.08 1p80 h ILE 523 Cb 0.30 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1p80 h ILE 523 CO 0.01 0.28 0.09 0.58 0.00 0.00 0.00 178.15 179.11 1p80 h VAL 524 N 0.01 0.75 -0.34 1.67 2.07 -0.85 -1.46 116.25 118.09 1p80 h VAL 524 Ca 0.04 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1p80 h VAL 524 Cb 0.45 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1p80 h VAL 524 CO 0.01 0.04 -0.03 0.44 0.02 0.00 0.00 177.57 178.06 1p80 h ASP 525 N 0.23 0.51 0.14 0.57 3.32 -1.03 -0.65 116.42 119.51 1p80 h ASP 525 Ca 0.23 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1p80 h ASP 525 Cb 0.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1p80 h ASP 525 CO -0.30 0.60 -0.07 1.23 -1.72 0.00 0.00 179.24 178.99 1p80 h GLY 526 N 0.87 -0.20 1.00 2.75 0.00 -0.13 -0.74 103.07 106.62 1p80 h GLY 526 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1p80 h GLY 526 CO 0.02 -0.07 0.30 0.74 0.00 0.00 0.00 176.54 177.52 1p80 h PHE 527 N -0.40 0.60 -0.53 5.60 0.04 -1.21 -2.12 116.94 118.92 1p80 h PHE 527 Ca -0.02 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1p80 h PHE 527 Cb 0.31 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1p80 h PHE 527 CO -0.01 0.39 0.33 0.77 -0.60 0.00 0.00 178.31 179.19 1p80 h SER 528 N 0.63 0.63 -0.04 2.17 0.02 -1.05 -0.34 113.55 115.57 1p80 h SER 528 Ca 0.17 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1p80 h SER 528 Cb -0.05 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1p80 h SER 528 CO -0.04 0.49 0.01 0.15 -1.14 0.00 0.00 176.83 176.31 1p80 h PHE 529 N 0.72 0.08 -0.25 3.45 3.04 -1.01 -2.37 116.94 120.59 1p80 h PHE 529 Ca 0.19 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1p80 h PHE 529 Cb -0.03 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1p80 h PHE 529 CO -0.03 0.31 0.16 0.93 -2.02 0.00 0.00 178.31 177.66 1p80 h GLU 530 N -0.17 0.34 0.00 1.11 5.08 -1.31 -2.79 114.58 116.84 1p80 h GLU 530 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1p80 h GLU 530 Cb 0.27 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1p80 h GLU 530 CO 0.00 0.25 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.00 1p80 h LEU 531 N 0.33 0.00 -1.86 1.33 3.38 -1.11 -1.63 115.31 115.75 1p80 h LEU 531 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1p80 h LEU 531 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1p80 h LEU 531 CO -0.02 0.20 -0.11 0.28 0.09 0.00 0.00 178.44 178.88 1p80 h SER 532 N 0.00 0.00 -0.05 -0.43 0.02 -1.14 -2.29 113.55 109.66 1p80 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1p80 h SER 532 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1p80 h SER 532 CO 0.03 0.11 0.00 0.29 -1.14 0.00 0.00 176.83 176.12 1p80 n LYS 533 N -3.52 1.77 -2.86 3.45 5.02 -0.62 -4.79 118.16 116.61 1p80 n LYS 533 Ca -0.01 -1.12 -0.42 0.00 -2.02 0.00 0.00 58.31 54.73 1p80 n LYS 533 Cb 0.25 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1p80 n LYS 533 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p80 s VAL 534 N -1.96 4.83 0.13 -0.18 1.01 -0.86 -4.60 120.40 118.77 1p80 s VAL 534 Ca 0.36 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 1p80 s VAL 534 Cb 0.20 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 1p80 s VAL 534 CO 0.32 -0.05 1.32 0.58 0.00 0.00 0.00 175.10 177.26 1p80 h VAL 535 N 5.35 1.42 -3.49 2.92 2.07 -1.86 -3.42 116.25 119.22 1p80 h VAL 535 Ca -0.25 -2.47 -0.60 0.00 0.82 0.00 0.00 66.70 64.21 1p80 h VAL 535 Cb 1.10 2.42 -0.11 0.00 -1.52 0.00 0.00 31.29 33.19 1p80 h VAL 535 CO 0.87 0.73 0.63 -0.13 0.02 0.00 0.00 177.57 179.70 1p80 s ARG 536 N -3.26 3.48 0.42 1.57 0.52 -1.26 -4.93 118.95 115.48 1p80 s ARG 536 Ca -0.05 0.07 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1p80 s ARG 536 Cb 0.09 -3.97 0.89 0.00 0.52 0.00 0.00 34.95 32.49 1p80 s ARG 536 CO 0.86 -1.35 2.06 -1.35 0.02 0.00 0.00 175.30 175.54 1p80 h PRO 537 N 9.20 0.50 -0.17 3.54 0.11 -1.98 -1.90 132.00 141.30 1p80 h PRO 537 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1p80 h PRO 537 Cb 1.07 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1p80 h PRO 537 CO 1.06 0.33 0.11 0.10 -0.21 0.00 0.00 178.00 179.39 1p80 h TYR 538 N 0.51 0.21 -0.51 0.65 -0.00 -1.97 -1.53 116.97 114.33 1p80 h TYR 538 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.84 1p80 h TYR 538 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 36.60 1p80 h TYR 538 CO -0.00 0.13 0.17 0.82 -0.00 0.00 0.00 178.16 179.29 1p80 h ILE 539 N 0.23 1.23 -0.82 -0.90 2.04 -1.75 -1.56 117.51 115.97 1p80 h ILE 539 Ca 0.06 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1p80 h ILE 539 Cb -0.03 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1p80 h ILE 539 CO -0.01 0.28 0.53 0.03 0.00 0.00 0.00 178.15 178.98 1p80 h ARG 540 N 0.70 1.02 -0.68 2.37 3.08 -1.38 -1.26 114.38 118.23 1p80 h ARG 540 Ca 0.17 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1p80 h ARG 540 Cb 0.25 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1p80 h ARG 540 CO -0.01 0.68 0.22 0.93 -1.07 0.00 0.00 179.97 180.72 1p80 h GLU 541 N 1.05 1.06 -0.26 0.04 5.08 -1.18 -1.12 114.58 119.24 1p80 h GLU 541 Ca 0.32 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1p80 h GLU 541 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1p80 h GLU 541 CO -0.10 0.91 -0.24 0.00 -1.00 0.00 0.00 179.01 178.58 1p80 h ARG 542 N 0.99 0.50 -0.29 2.33 3.08 -0.90 -1.19 114.38 118.90 1p80 h ARG 542 Ca 0.22 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1p80 h ARG 542 Cb 0.29 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1p80 h ARG 542 CO -0.01 0.71 -0.34 0.28 -1.07 0.00 0.00 179.97 179.54 1p80 h VAL 543 N 0.44 1.30 -0.91 2.04 2.07 -0.83 -2.02 116.25 118.34 1p80 h VAL 543 Ca 0.07 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1p80 h VAL 543 Cb 0.66 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1p80 h VAL 543 CO 0.05 0.49 0.60 0.58 0.02 0.00 0.00 177.57 179.30 1p80 h VAL 544 N 0.49 1.21 -0.64 2.57 2.07 -1.02 -1.05 116.25 119.88 1p80 h VAL 544 Ca 0.04 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1p80 h VAL 544 Cb 0.92 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1p80 h VAL 544 CO 0.08 0.22 0.41 -0.78 0.02 0.00 0.00 177.57 177.53 1p80 h ASP 545 N 1.21 0.71 -0.89 0.57 1.82 -0.97 -1.68 116.42 117.18 1p80 h ASP 545 Ca 0.34 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 1p80 h ASP 545 Cb -0.10 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.69 1p80 h ASP 545 CO -0.08 0.51 0.47 1.56 -1.61 0.00 0.00 179.24 180.09 1p80 h GLN 546 N 0.84 1.25 0.00 0.28 1.08 -0.60 -2.56 115.11 115.40 1p80 h GLN 546 Ca 0.24 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1p80 h GLN 546 Cb -0.07 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.11 1p80 h GLN 546 CO -0.06 0.92 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.48 1p80 h LEU 547 N 1.25 0.00 -1.67 1.46 3.38 -0.37 -1.62 115.31 117.74 1p80 h LEU 547 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1p80 h LEU 547 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1p80 h LEU 547 CO -0.05 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1p80 h ALA 548 N 1.82 1.00 0.00 1.53 0.00 -0.91 -0.39 119.26 122.31 1p80 h ALA 548 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p80 h ALA 548 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1p80 h ALA 548 CO 0.02 0.00 -0.17 0.72 0.00 0.00 0.00 179.25 179.82 1p80 n HIS 549 N -3.01 0.33 -0.10 0.00 8.25 -0.61 -4.24 115.22 115.83 1p80 n HIS 549 Ca 0.00 0.10 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 1p80 n HIS 549 Cb 0.26 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 30.72 1p80 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1p80 n ILE 550 N -1.79 1.51 -3.64 1.59 5.41 -0.29 -4.24 119.36 117.91 1p80 n ILE 550 Ca 0.06 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.74 1p80 n ILE 550 Cb 0.38 -2.22 -0.07 0.00 -0.71 0.00 0.00 39.64 37.01 1p80 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p80 s ASP 551 N -6.34 -0.95 0.22 4.38 -1.08 -0.42 -4.63 116.67 107.85 1p80 s ASP 551 Ca -0.31 1.51 -0.08 0.00 -0.52 0.00 0.00 52.55 53.16 1p80 s ASP 551 Cb 0.07 1.39 0.17 0.00 -1.46 0.00 0.00 42.92 43.08 1p80 s ASP 551 CO 0.44 -0.24 1.79 0.25 0.52 0.00 0.00 175.17 177.94 1p80 h LEU 552 N 7.00 1.10 -0.22 -1.34 6.46 -1.80 -1.42 115.31 125.10 1p80 h LEU 552 Ca -0.30 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1p80 h LEU 552 Cb 1.23 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1p80 h LEU 552 CO 0.16 0.95 0.12 0.74 -0.62 0.00 0.00 178.44 179.80 1p80 h THR 553 N 1.18 1.10 -0.13 1.05 2.02 -1.97 0.35 112.91 116.51 1p80 h THR 553 Ca 0.28 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1p80 h THR 553 Cb 0.18 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1p80 h THR 553 CO -0.03 0.10 0.08 0.25 0.37 0.00 0.00 175.52 176.30 1p80 h LEU 554 N 0.25 0.16 -0.24 2.58 5.85 -1.89 -1.57 115.31 120.44 1p80 h LEU 554 Ca 0.08 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1p80 h LEU 554 Cb 0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1p80 h LEU 554 CO -0.01 0.14 0.08 0.00 -0.34 0.00 0.00 178.44 178.31 1p80 h ALA 555 N 1.02 0.26 -0.59 1.25 0.00 -1.02 -1.62 119.26 118.57 1p80 h ALA 555 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1p80 h ALA 555 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1p80 h ALA 555 CO -0.01 -0.34 0.29 1.96 0.00 0.00 0.00 179.25 181.16 1p80 h GLN 556 N 0.19 0.85 -0.65 0.00 4.20 -0.18 -0.60 115.11 118.92 1p80 h GLN 556 Ca 0.10 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1p80 h GLN 556 Cb 0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1p80 h GLN 556 CO -0.11 0.68 0.09 0.00 -0.67 0.00 0.00 178.83 178.82 1p80 h ALA 557 N 1.12 0.93 -0.22 3.87 0.00 -1.11 -0.18 119.26 123.67 1p80 h ALA 557 Ca 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1p80 h ALA 557 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1p80 h ALA 557 CO -0.03 0.66 -0.19 0.28 0.00 0.00 0.00 179.25 179.97 1p80 h VAL 558 N 1.00 1.32 -0.82 0.00 2.07 -1.20 -3.03 116.25 115.59 1p80 h VAL 558 Ca 0.20 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 66.46 1p80 h VAL 558 Cb 0.45 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1p80 h VAL 558 CO 0.02 0.41 0.48 0.00 0.02 0.00 0.00 177.57 178.50 1p80 h ALA 559 N 0.67 1.16 -0.73 1.67 0.00 -0.86 -1.98 119.26 119.19 1p80 h ALA 559 Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1p80 h ALA 559 Cb 0.73 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1p80 h ALA 559 CO 0.05 0.14 0.35 -0.22 0.00 0.00 0.00 179.25 179.57 1p80 h LYS 560 N 0.83 1.06 0.00 0.00 3.64 -1.03 0.42 116.57 121.49 1p80 h LYS 560 Ca 0.39 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1p80 h LYS 560 Cb 0.30 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1p80 h LYS 560 CO -0.22 0.83 0.00 -0.91 -2.27 0.00 0.00 179.45 176.88 1p80 h ASN 561 N 1.03 0.00 0.04 4.20 2.35 -1.24 -2.71 115.58 119.24 1p80 h ASN 561 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1p80 h ASN 561 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1p80 h ASN 561 CO -0.03 0.00 -0.63 0.18 -1.65 0.00 0.00 177.43 175.30 1p80 n LEU 562 N -3.00 1.54 -0.23 1.61 4.32 -0.83 -4.96 117.00 115.44 1p80 n LEU 562 Ca 0.00 -0.60 -0.02 0.00 -0.02 0.00 0.00 56.01 55.37 1p80 n LEU 562 Cb 0.26 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1p80 n LEU 562 CO 0.25 0.31 -0.03 0.61 -1.22 0.00 0.00 177.39 177.31 1p80 n GLY 563 N 1.44 0.37 3.71 -0.72 0.00 -0.60 -5.03 105.19 104.36 1p80 n GLY 563 Ca 0.08 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1p80 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 564 N -2.10 4.33 -0.19 -0.61 1.01 0.04 -5.03 121.20 118.65 1p80 s ILE 564 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1p80 s ILE 564 Cb 0.00 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1p80 s ILE 564 CO 0.00 0.39 -0.02 -1.61 0.00 0.00 0.00 174.94 173.70 1p80 s GLU 565 N -1.55 3.60 0.45 2.79 2.02 -1.26 -4.07 118.70 120.67 1p80 s GLU 565 Ca 0.20 -0.54 -0.24 0.00 0.02 0.00 0.00 54.97 54.41 1p80 s GLU 565 Cb -0.12 -3.01 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 1p80 s GLU 565 CO 0.11 0.06 1.21 -0.51 0.02 0.00 0.00 175.26 176.14 1p80 s LEU 566 N 0.85 4.07 0.80 1.80 2.01 -1.26 -5.00 118.68 121.95 1p80 s LEU 566 Ca -0.00 2.41 -0.12 0.00 0.01 0.00 0.00 54.13 56.44 1p80 s LEU 566 Cb -0.14 -4.15 0.08 0.00 0.01 0.00 0.00 46.19 41.99 1p80 s LEU 566 CO 0.02 -0.92 1.17 0.42 1.01 0.00 0.00 176.35 178.05 1p80 s THR 567 N -1.45 2.04 0.17 5.49 -4.23 -1.26 -4.88 115.64 111.52 1p80 s THR 567 Ca 0.62 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1p80 s THR 567 Cb -0.32 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.59 1p80 s THR 567 CO 0.39 -0.01 1.59 -2.24 -0.54 0.00 0.00 174.62 173.81 1p80 h ASP 568 N -1.03 -1.14 -0.42 3.99 2.03 -1.99 -0.54 116.42 117.32 1p80 h ASP 568 Ca -0.46 0.21 -0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1p80 h ASP 568 Cb 1.33 0.54 -0.02 0.00 -0.83 0.00 0.00 39.33 40.35 1p80 h ASP 568 CO 0.66 -0.32 0.25 0.44 -1.03 0.00 0.00 179.24 179.24 1p80 h ASP 569 N -0.22 0.51 -0.37 4.15 3.32 -1.99 -2.87 116.42 118.96 1p80 h ASP 569 Ca 0.19 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1p80 h ASP 569 Cb 0.55 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1p80 h ASP 569 CO -0.59 0.43 0.05 1.56 -1.72 0.00 0.00 179.24 178.97 1p80 h GLN 570 N 0.56 0.71 0.00 3.56 4.20 -1.78 -2.25 115.11 120.10 1p80 h GLN 570 Ca 0.15 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1p80 h GLN 570 Cb 0.01 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1p80 h GLN 570 CO -0.03 0.68 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.65 1p80 h LEU 571 N 0.68 0.00 -2.14 1.46 4.07 -0.90 -2.57 115.31 115.90 1p80 h LEU 571 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1p80 h LEU 571 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1p80 h LEU 571 CO 0.01 0.10 0.00 0.59 -1.08 0.00 0.00 178.44 178.05 1p80 n ASN 572 N -3.61 3.21 -4.69 -0.43 3.02 -0.86 -4.96 115.26 106.94 1p80 n ASN 572 Ca -0.02 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 1p80 n ASN 572 Cb 0.22 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1p80 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p80 s ILE 573 N -1.55 2.79 -0.01 2.41 1.01 -0.97 -4.92 121.20 119.97 1p80 s ILE 573 Ca 0.38 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1p80 s ILE 573 Cb 0.22 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 1p80 s ILE 573 CO 0.31 -0.00 1.52 -0.89 0.00 0.00 0.00 174.94 175.87 1p80 s THR 574 N 2.83 3.55 0.61 2.92 2.01 -1.26 -4.97 115.64 121.33 1p80 s THR 574 Ca 0.78 0.88 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 1p80 s THR 574 Cb -0.43 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1p80 s THR 574 CO 0.35 -0.03 1.06 -2.65 -0.69 0.00 0.00 174.62 172.66 1p80 n PRO 575 N 5.95 0.97 -1.50 4.92 -0.02 -1.26 -4.96 135.00 139.10 1p80 n PRO 575 Ca 0.15 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 1p80 n PRO 575 Cb 0.43 -2.27 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 1p80 n PRO 575 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1p80 s PRO 576 N -2.91 2.45 0.75 0.52 0.04 -1.26 -4.99 135.00 129.60 1p80 s PRO 576 Ca 0.77 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1p80 s PRO 576 Cb -0.41 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1p80 s PRO 576 CO 0.45 -1.52 1.15 -1.25 0.04 0.00 0.00 177.00 175.87 1p80 s PRO 577 N -4.38 2.11 0.92 0.56 0.04 -1.26 -4.94 135.00 128.06 1p80 s PRO 577 Ca 0.66 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1p80 s PRO 577 Cb -0.20 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.63 1p80 s PRO 577 CO 0.48 -1.81 1.10 -0.51 0.04 0.00 0.00 177.00 176.30 1p80 s ASP 578 N -2.54 3.30 -0.45 6.66 1.11 -1.26 -4.71 116.67 118.78 1p80 s ASP 578 Ca 0.69 1.24 -0.19 0.00 0.18 0.00 0.00 52.55 54.47 1p80 s ASP 578 Cb -0.24 -1.91 0.03 0.00 1.07 0.00 0.00 42.92 41.88 1p80 s ASP 578 CO 0.49 -2.72 0.55 -0.69 1.18 0.00 0.00 175.17 173.98 1p80 s VAL 579 N -3.05 4.95 -1.63 -1.27 1.01 -1.05 -4.44 120.40 114.93 1p80 s VAL 579 Ca 0.64 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1p80 s VAL 579 Cb -0.17 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.16 1p80 s VAL 579 CO 0.56 -0.59 0.65 0.59 0.00 0.00 0.00 175.10 176.31 1p80 n ASN 580 N 5.96 -2.30 0.00 3.32 4.13 -1.26 -0.75 115.26 124.36 1p80 n ASN 580 Ca -0.05 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.18 1p80 n ASN 580 Cb 0.47 -2.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.96 1p80 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p80 n GLY 581 N -1.61 1.54 3.75 7.41 0.00 -1.26 -5.04 105.19 109.98 1p80 n GLY 581 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1p80 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p80 s LEU 582 N 0.00 4.45 -0.05 0.99 1.43 0.08 -4.94 118.68 120.63 1p80 s LEU 582 Ca 0.00 1.38 0.12 0.00 -1.03 0.00 0.00 54.13 54.60 1p80 s LEU 582 Cb 0.00 -3.15 0.35 0.00 0.03 0.00 0.00 46.19 43.43 1p80 s LEU 582 CO 0.00 0.05 1.29 2.29 0.23 0.00 0.00 176.35 180.21 1p80 n LYS 583 N 2.69 2.88 0.00 1.70 0.00 -1.26 -2.52 118.16 121.66 1p80 n LYS 583 Ca -0.04 -2.25 0.00 0.00 -0.00 0.00 0.00 58.31 56.02 1p80 n LYS 583 Cb 0.50 -1.42 0.00 0.00 -0.00 0.00 0.00 35.03 34.12 1p80 n LYS 583 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1p80 n LYS 584 N 0.18 0.00 -3.35 -1.58 2.85 -1.26 -4.69 118.16 110.31 1p80 n LYS 584 Ca 0.14 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.31 1p80 n LYS 584 Cb 0.55 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.85 1p80 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p80 s ASP 585 N 0.00 0.18 0.61 -5.58 3.68 -1.26 -5.00 116.67 109.30 1p80 s ASP 585 Ca 0.00 0.26 0.32 0.00 2.13 0.00 0.00 52.55 55.26 1p80 s ASP 585 Cb 0.00 1.15 1.86 0.00 -1.45 0.00 0.00 42.92 44.48 1p80 s ASP 585 CO 0.00 -0.30 2.20 -0.65 0.13 0.00 0.00 175.17 176.56 1p80 h PRO 586 N 8.18 0.00 0.00 4.34 0.11 -1.97 -1.68 132.00 140.97 1p80 h PRO 586 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1p80 h PRO 586 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1p80 h PRO 586 CO 0.27 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.93 1p80 n SER 587 N -3.66 0.09 0.04 -2.05 3.41 -1.26 -2.01 113.62 108.19 1p80 n SER 587 Ca -0.01 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1p80 n SER 587 Cb 0.18 -0.55 0.22 0.00 -0.26 0.00 0.00 64.21 63.80 1p80 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p80 n LEU 588 N -1.61 0.60 -4.81 1.04 4.77 -0.63 -4.87 117.00 111.48 1p80 n LEU 588 Ca 0.02 0.17 -0.36 0.00 -0.03 0.00 0.00 56.01 55.80 1p80 n LEU 588 Cb 0.12 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1p80 n LEU 588 CO 0.10 0.01 0.44 -0.55 -1.33 0.00 0.00 177.39 176.05 1p80 s SER 589 N -3.76 7.10 0.12 -1.43 0.15 -0.85 -4.92 113.70 110.11 1p80 s SER 589 Ca 0.08 1.46 -0.11 0.00 0.70 0.00 0.00 55.95 58.08 1p80 s SER 589 Cb 0.15 -2.44 -0.10 0.00 -1.71 0.00 0.00 66.02 61.93 1p80 s SER 589 CO 0.71 0.04 1.37 -0.07 1.20 0.00 0.00 173.24 176.49 1p80 h LEU 590 N 3.49 0.91 -0.02 3.45 3.38 -1.89 -3.40 115.31 121.23 1p80 h LEU 590 Ca -0.48 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1p80 h LEU 590 Cb 1.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1p80 h LEU 590 CO 0.65 1.34 -0.06 -1.22 0.09 0.00 0.00 178.44 179.24 1p80 n TYR 591 N -3.96 0.00 -0.24 1.13 4.01 -1.26 -4.73 117.16 112.11 1p80 n TYR 591 Ca -0.06 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.72 1p80 n TYR 591 Cb 0.69 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.89 1p80 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p80 h ALA 592 N 0.19 0.92 -3.05 -0.72 0.00 -1.85 -3.35 119.26 111.40 1p80 h ALA 592 Ca 0.00 0.14 -0.68 0.00 0.00 0.00 0.00 54.91 54.37 1p80 h ALA 592 Cb 0.03 0.18 -0.27 0.00 0.00 0.00 0.00 17.79 17.73 1p80 h ALA 592 CO 0.00 -0.29 -0.62 0.42 0.00 0.00 0.00 179.25 178.76 1p80 s ILE 593 N -6.05 3.91 -0.19 0.00 1.01 -1.26 -5.07 121.20 113.55 1p80 s ILE 593 Ca -0.13 -0.81 -0.41 0.00 0.00 0.00 0.00 60.65 59.30 1p80 s ILE 593 Cb 0.20 -3.07 -0.18 0.00 0.01 0.00 0.00 42.46 39.42 1p80 s ILE 593 CO 0.75 0.01 1.48 -2.65 0.00 0.00 0.00 174.94 174.53 1p80 n PRO 594 N 4.85 0.66 -0.59 2.79 -0.02 -1.26 -4.86 135.00 136.57 1p80 n PRO 594 Ca -0.14 0.24 -0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1p80 n PRO 594 Cb 0.47 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1p80 n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1p80 n ASP 595 N 3.59 -0.00 -4.75 2.55 5.75 -1.26 -5.13 116.55 117.29 1p80 n ASP 595 Ca 0.24 -1.56 -0.38 0.00 -0.01 0.00 0.00 54.79 53.08 1p80 n ASP 595 Cb 0.09 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1p80 n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1p80 s GLY 596 N -0.62 2.87 -0.03 6.12 0.00 -1.25 -4.06 107.32 110.34 1p80 s GLY 596 Ca 0.02 1.27 -0.01 0.00 0.00 0.00 0.00 44.72 46.00 1p80 s GLY 596 CO -0.01 1.78 0.06 -0.35 0.00 0.00 0.00 173.10 174.57 1p80 s ASP 597 N -1.04 0.52 0.05 1.64 -1.08 -1.25 -4.97 116.67 110.55 1p80 s ASP 597 Ca 0.71 0.09 0.24 0.00 -0.52 0.00 0.00 52.55 53.06 1p80 s ASP 597 Cb -0.39 -0.06 0.21 0.00 -1.46 0.00 0.00 42.92 41.23 1p80 s ASP 597 CO 0.45 -0.18 1.18 1.33 0.52 0.00 0.00 175.17 178.47 1p80 n VAL 598 N 4.69 0.16 -1.86 1.11 0.24 -1.26 -4.84 118.33 116.58 1p80 n VAL 598 Ca -0.17 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 1p80 n VAL 598 Cb 0.50 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 1p80 n VAL 598 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1p80 s LYS 599 N -3.13 4.18 0.00 7.34 2.20 -1.25 -1.41 119.74 127.67 1p80 s LYS 599 Ca 0.06 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1p80 s LYS 599 Cb 0.15 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1p80 s LYS 599 CO 0.76 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1p80 n GLY 600 N 4.04 1.21 3.78 5.54 0.00 -0.36 -4.99 105.19 114.41 1p80 n GLY 600 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1p80 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p80 s ARG 601 N -0.97 1.28 -0.01 1.61 1.81 -0.50 -4.78 118.95 117.39 1p80 s ARG 601 Ca 0.00 0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.44 1p80 s ARG 601 Cb 0.00 -1.85 -0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1p80 s ARG 601 CO 0.00 -2.12 -0.07 0.08 -0.68 0.00 0.00 175.30 172.50 1p80 s VAL 602 N -3.21 0.58 -0.07 3.52 1.01 -1.26 -1.16 120.40 119.81 1p80 s VAL 602 Ca 0.63 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1p80 s VAL 602 Cb -0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1p80 s VAL 602 CO 0.54 0.17 -0.17 -0.69 0.00 0.00 0.00 175.10 174.94 1p80 s VAL 603 N -0.16 2.73 0.05 2.92 1.01 -0.13 -0.46 120.40 126.36 1p80 s VAL 603 Ca 0.03 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1p80 s VAL 603 Cb -0.03 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1p80 s VAL 603 CO -0.00 0.57 0.71 0.00 0.00 0.00 0.00 175.10 176.38 1p80 s ALA 604 N -0.27 3.42 -0.25 5.51 0.00 -0.58 -1.00 121.76 128.58 1p80 s ALA 604 Ca 0.01 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1p80 s ALA 604 Cb -0.13 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1p80 s ALA 604 CO 0.03 0.13 -0.09 0.42 0.00 0.00 0.00 175.76 176.24 1p80 s ILE 605 N -0.25 2.47 -0.33 0.00 1.01 -0.11 -1.20 121.20 122.79 1p80 s ILE 605 Ca 0.36 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 1p80 s ILE 605 Cb -0.20 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1p80 s ILE 605 CO 0.22 0.11 0.85 -0.76 0.00 0.00 0.00 174.94 175.35 1p80 s LEU 606 N 1.21 4.06 0.59 2.97 1.43 -0.42 -1.75 118.68 126.77 1p80 s LEU 606 Ca -0.04 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1p80 s LEU 606 Cb -0.18 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1p80 s LEU 606 CO -0.06 -0.71 0.85 -0.76 0.23 0.00 0.00 176.35 175.91 1p80 s LEU 607 N 3.16 3.20 0.31 1.79 1.43 -0.48 -4.24 118.68 123.85 1p80 s LEU 607 Ca 0.35 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1p80 s LEU 607 Cb -0.13 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1p80 s LEU 607 CO 0.15 -1.18 0.16 0.54 0.23 0.00 0.00 176.35 176.26 1p80 s ASN 608 N -4.39 1.56 0.00 2.29 2.20 -1.26 -4.82 114.94 110.52 1p80 s ASN 608 Ca 0.56 -1.57 0.25 0.00 -0.94 0.00 0.00 52.86 51.16 1p80 s ASN 608 Cb -0.10 0.40 1.30 0.00 -2.00 0.00 0.00 41.25 40.84 1p80 s ASN 608 CO 0.42 -0.90 1.84 -0.90 -2.94 0.00 0.00 177.10 174.62 1p80 n ASP 609 N -0.97 0.00 -3.01 3.54 3.85 -1.26 -4.03 116.55 114.67 1p80 n ASP 609 Ca 0.01 -0.18 -0.16 0.00 -0.71 0.00 0.00 54.79 53.75 1p80 n ASP 609 Cb 0.65 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 1p80 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p80 n GLU 610 N -1.24 0.88 -1.77 0.11 4.07 -1.26 -4.16 120.64 117.27 1p80 n GLU 610 Ca 0.13 -2.71 -0.41 0.00 -0.06 0.00 0.00 57.16 54.10 1p80 n GLU 610 Cb 0.18 -1.38 -0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1p80 n GLU 610 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1p80 n VAL 611 N 0.81 1.78 -2.11 6.31 0.31 -1.26 -2.87 118.33 121.30 1p80 n VAL 611 Ca 0.17 -0.44 -0.28 0.00 -0.01 0.00 0.00 64.34 63.77 1p80 n VAL 611 Cb 0.63 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 1p80 n VAL 611 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1p80 s ARG 612 N -1.75 2.68 0.55 5.55 3.00 0.15 -1.52 118.95 127.61 1p80 s ARG 612 Ca 0.55 -0.40 0.37 0.00 0.00 0.00 0.00 55.73 56.26 1p80 s ARG 612 Cb -0.48 -5.10 1.55 0.00 0.00 0.00 0.00 34.95 30.92 1p80 s ARG 612 CO 0.60 -3.24 1.78 0.66 0.00 0.00 0.00 175.30 175.10 1p80 h SER 613 N 11.10 0.00 -0.59 0.23 4.64 -1.90 0.44 113.55 127.47 1p80 h SER 613 Ca 0.11 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1p80 h SER 613 Cb 1.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1p80 h SER 613 CO 1.24 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 177.35 1p80 h ALA 614 N 1.36 1.11 0.51 5.18 0.00 -1.99 -2.02 119.26 123.41 1p80 h ALA 614 Ca 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1p80 h ALA 614 Cb 2.33 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.88 1p80 h ALA 614 CO -0.01 0.60 -0.25 -0.44 0.00 0.00 0.00 179.25 179.16 1p80 h ASP 615 N 0.93 -0.58 -0.75 0.00 3.45 -0.48 -2.83 116.42 116.16 1p80 h ASP 615 Ca 0.20 -0.05 0.16 0.00 0.43 0.00 0.00 57.03 57.77 1p80 h ASP 615 Cb 0.32 0.15 -0.11 0.00 -0.56 0.00 0.00 39.33 39.13 1p80 h ASP 615 CO -0.00 -0.28 0.19 -0.07 -1.57 0.00 0.00 179.24 177.51 1p80 h LEU 616 N -0.89 0.03 -0.27 1.55 3.38 -1.46 0.14 115.31 117.79 1p80 h LEU 616 Ca -0.07 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1p80 h LEU 616 Cb 0.60 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1p80 h LEU 616 CO 0.12 -0.03 0.14 -0.07 0.09 0.00 0.00 178.44 178.68 1p80 h LEU 617 N 0.28 0.22 -0.53 1.67 3.38 -1.35 0.28 115.31 119.26 1p80 h LEU 617 Ca 0.42 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 1p80 h LEU 617 Cb 0.73 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1p80 h LEU 617 CO -0.51 0.16 0.14 0.00 0.09 0.00 0.00 178.44 178.32 1p80 h ALA 618 N 1.13 0.70 0.51 1.53 0.00 -0.98 -1.46 119.26 120.69 1p80 h ALA 618 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1p80 h ALA 618 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1p80 h ALA 618 CO -0.06 0.38 -0.31 0.82 0.00 0.00 0.00 179.25 180.07 1p80 h ILE 619 N 0.74 0.00 -0.88 0.00 2.04 -0.46 -2.58 117.51 116.37 1p80 h ILE 619 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 1p80 h ILE 619 Cb 0.32 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 1p80 h ILE 619 CO -0.00 0.00 0.57 -0.07 0.00 0.00 0.00 178.15 178.65 1p80 h LEU 620 N -0.77 0.86 -0.61 1.44 3.38 -0.98 -1.90 115.31 116.73 1p80 h LEU 620 Ca -0.07 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1p80 h LEU 620 Cb 0.62 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1p80 h LEU 620 CO 0.07 0.55 0.11 0.50 0.09 0.00 0.00 178.44 179.76 1p80 h LYS 621 N 0.97 1.00 -0.36 1.13 3.64 -1.26 -1.66 116.57 120.03 1p80 h LYS 621 Ca 0.38 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1p80 h LYS 621 Cb 0.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1p80 h LYS 621 CO -0.14 0.93 -0.25 0.00 -2.27 0.00 0.00 179.45 177.71 1p80 h ALA 622 N 1.03 0.51 0.05 5.00 0.00 -0.99 -2.53 119.26 122.33 1p80 h ALA 622 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1p80 h ALA 622 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1p80 h ALA 622 CO 0.01 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.67 1p80 h LEU 623 N 0.59 -0.06 -1.40 0.00 3.38 -1.30 -2.92 115.31 113.59 1p80 h LEU 623 Ca 0.07 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1p80 h LEU 623 Cb 0.82 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1p80 h LEU 623 CO 0.07 0.03 0.52 0.50 0.09 0.00 0.00 178.44 179.65 1p80 h LYS 624 N -0.15 0.62 0.00 1.13 3.64 -1.31 0.21 116.57 120.72 1p80 h LYS 624 Ca -0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1p80 h LYS 624 Cb 0.13 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1p80 h LYS 624 CO 0.01 0.41 -0.14 0.00 -2.27 0.00 0.00 179.45 177.46 1p80 h ALA 625 N 1.62 1.27 -0.03 5.00 0.00 -1.26 -2.31 119.26 123.56 1p80 h ALA 625 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1p80 h ALA 625 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1p80 h ALA 625 CO -0.14 0.18 -0.08 1.63 0.00 0.00 0.00 179.25 180.83 1p80 n LYS 626 N -3.65 1.93 -1.76 0.00 4.76 -0.04 -4.96 118.16 114.43 1p80 n LYS 626 Ca -0.02 -1.65 -0.04 0.00 -2.87 0.00 0.00 58.31 53.73 1p80 n LYS 626 Cb 0.27 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 1p80 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p80 n GLY 627 N 1.26 0.36 3.79 0.72 0.00 -0.60 -3.77 105.19 106.96 1p80 n GLY 627 Ca 0.12 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1p80 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p80 s VAL 628 N -2.20 5.24 0.52 1.61 1.01 -0.62 -1.23 120.40 124.73 1p80 s VAL 628 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1p80 s VAL 628 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1p80 s VAL 628 CO 0.00 0.49 0.78 -1.00 0.00 0.00 0.00 175.10 175.37 1p80 s HIS 629 N -0.29 3.23 0.06 5.22 3.76 -0.31 -3.98 115.29 122.98 1p80 s HIS 629 Ca 0.19 0.42 0.04 0.00 -0.15 0.00 0.00 55.06 55.56 1p80 s HIS 629 Cb -0.14 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 1p80 s HIS 629 CO 0.08 -0.58 -0.11 0.00 -0.85 0.00 0.00 174.74 173.27 1p80 s ALA 630 N -2.76 0.86 -0.11 -1.40 0.00 -1.26 -0.95 121.76 116.14 1p80 s ALA 630 Ca 0.51 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1p80 s ALA 630 Cb -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1p80 s ALA 630 CO 0.41 0.07 -0.11 -1.59 0.00 0.00 0.00 175.76 174.54 1p80 s LYS 631 N -1.67 1.83 -0.32 0.00 -2.85 -0.17 -4.91 119.74 111.66 1p80 s LYS 631 Ca -0.06 -0.39 -0.21 0.00 -1.00 0.00 0.00 55.97 54.31 1p80 s LYS 631 Cb -0.10 -1.72 -0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1p80 s LYS 631 CO 0.01 -0.18 0.65 -0.51 0.10 0.00 0.00 175.35 175.43 1p80 s LEU 632 N 1.38 4.17 0.09 2.77 1.43 -1.26 -0.93 118.68 126.32 1p80 s LEU 632 Ca 0.00 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 1p80 s LEU 632 Cb -0.13 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1p80 s LEU 632 CO -0.06 -0.54 -0.09 -0.76 0.23 0.00 0.00 176.35 175.14 1p80 s LEU 633 N 2.69 3.08 0.00 1.79 1.02 -0.72 -0.60 118.68 125.95 1p80 s LEU 633 Ca 0.26 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1p80 s LEU 633 Cb -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 46.19 44.21 1p80 s LEU 633 CO 0.13 0.20 0.00 0.00 0.02 0.00 0.00 176.35 176.69 1p80 n TYR 634 N 0.85 -0.25 1.11 0.29 9.36 -0.78 -1.38 117.16 126.35 1p80 n TYR 634 Ca -0.14 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.20 1p80 n TYR 634 Cb 0.52 0.00 0.21 0.00 -0.63 0.00 0.00 39.34 39.45 1p80 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p80 n SER 635 N -1.56 1.07 -3.95 2.98 3.41 -1.26 -1.43 113.62 112.87 1p80 n SER 635 Ca 0.00 -0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 57.66 1p80 n SER 635 Cb 0.00 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1p80 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p80 s ARG 636 N -2.69 1.34 0.88 4.33 1.70 -1.26 -4.89 118.95 118.37 1p80 s ARG 636 Ca 0.18 -1.18 -0.10 0.00 -0.47 0.00 0.00 55.73 54.16 1p80 s ARG 636 Cb 0.18 0.43 0.19 0.00 -0.57 0.00 0.00 34.95 35.18 1p80 s ARG 636 CO 0.62 -0.53 1.21 -1.33 -1.08 0.00 0.00 175.30 174.18 1p80 n MET 637 N -0.30 -0.81 0.00 3.89 2.81 -1.26 -4.76 117.12 116.68 1p80 n MET 637 Ca -0.05 -2.37 0.00 0.00 -1.81 0.00 0.00 57.70 53.47 1p80 n MET 637 Cb 0.63 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 1p80 n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p80 n GLY 638 N -3.36 0.81 3.30 3.03 0.00 -1.26 -4.99 105.19 102.72 1p80 n GLY 638 Ca 0.17 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1p80 n GLY 638 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p80 s GLU 639 N 0.00 1.04 0.38 1.61 -1.05 -1.26 -1.62 118.70 117.80 1p80 s GLU 639 Ca 0.00 -0.76 0.07 0.00 -0.15 0.00 0.00 54.97 54.13 1p80 s GLU 639 Cb 0.00 0.45 -0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1p80 s GLU 639 CO 0.00 -0.40 -0.01 0.14 0.95 0.00 0.00 175.26 175.94 1p80 s VAL 640 N -3.82 1.95 -0.12 1.83 -7.23 -0.48 -4.97 120.40 107.58 1p80 s VAL 640 Ca 0.04 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1p80 s VAL 640 Cb 0.02 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 34.11 1p80 s VAL 640 CO -0.11 -0.07 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.53 1p80 s THR 641 N -2.76 1.76 0.81 5.32 2.01 -1.26 -0.74 115.64 120.78 1p80 s THR 641 Ca 0.34 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 1p80 s THR 641 Cb 0.08 -1.57 0.08 0.00 0.01 0.00 0.00 72.50 71.09 1p80 s THR 641 CO 0.17 0.49 1.10 0.00 -0.69 0.00 0.00 174.62 175.70 1p80 s ALA 642 N 0.80 2.21 0.31 7.40 0.00 0.15 -4.15 121.76 128.49 1p80 s ALA 642 Ca -0.09 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.68 1p80 s ALA 642 Cb -0.16 -3.09 0.88 0.00 0.00 0.00 0.00 23.12 20.76 1p80 s ALA 642 CO 0.00 -1.79 1.66 0.38 0.00 0.00 0.00 175.76 176.02 1p80 h ASP 643 N -1.13 0.28 0.16 0.00 2.03 -1.47 0.24 116.42 116.52 1p80 h ASP 643 Ca -0.47 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1p80 h ASP 643 Cb 1.28 0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 1p80 h ASP 643 CO 0.60 -0.12 -0.05 -0.90 -1.03 0.00 0.00 179.24 177.74 1p80 n ASP 644 N -5.12 0.60 0.00 4.15 3.85 -1.26 -4.92 116.55 113.86 1p80 n ASP 644 Ca 0.26 -0.94 0.00 0.00 -0.71 0.00 0.00 54.79 53.40 1p80 n ASP 644 Cb 0.81 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.55 1p80 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p80 n GLY 645 N 1.17 0.48 3.70 6.12 0.00 0.83 -5.05 105.19 112.43 1p80 n GLY 645 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1p80 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p80 s THR 646 N -2.00 3.62 -0.24 2.61 2.01 -1.25 -4.70 115.64 115.68 1p80 s THR 646 Ca 0.00 1.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.86 1p80 s THR 646 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1p80 s THR 646 CO 0.00 0.04 0.77 -0.69 -0.69 0.00 0.00 174.62 174.05 1p80 s VAL 647 N 1.76 4.88 -0.28 3.82 1.01 -1.26 0.33 120.40 130.66 1p80 s VAL 647 Ca 0.63 1.44 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 1p80 s VAL 647 Cb -0.33 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1p80 s VAL 647 CO 0.28 -0.04 0.09 -0.76 0.00 0.00 0.00 175.10 174.67 1p80 s LEU 648 N 2.70 3.72 0.01 3.92 1.43 0.08 -4.98 118.68 125.56 1p80 s LEU 648 Ca 0.32 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1p80 s LEU 648 Cb -0.15 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1p80 s LEU 648 CO 0.08 -0.13 1.16 -2.16 0.23 0.00 0.00 176.35 175.54 1p80 s PRO 649 N 1.57 4.42 -0.12 1.29 0.04 -1.26 -1.38 135.00 139.57 1p80 s PRO 649 Ca 0.05 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1p80 s PRO 649 Cb -0.16 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1p80 s PRO 649 CO 0.04 -0.29 0.66 0.42 0.04 0.00 0.00 177.00 177.87 1p80 s ILE 650 N 1.47 5.04 0.02 0.56 1.01 -0.64 -4.79 121.20 123.88 1p80 s ILE 650 Ca 0.57 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 62.37 1p80 s ILE 650 Cb -0.26 -3.99 -0.31 0.00 0.01 0.00 0.00 42.46 37.90 1p80 s ILE 650 CO 0.26 0.20 1.02 0.00 0.00 0.00 0.00 174.94 176.43 1p80 h ALA 651 N 6.99 -0.07 -2.99 9.38 0.00 -1.19 -3.41 119.26 127.97 1p80 h ALA 651 Ca -0.37 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 53.79 1p80 h ALA 651 Cb 1.17 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1p80 h ALA 651 CO 0.77 0.59 0.22 0.00 0.00 0.00 0.00 179.25 180.83 1p80 s ALA 652 N -2.76 -0.91 0.62 0.00 0.00 -1.21 -5.04 121.76 112.47 1p80 s ALA 652 Ca -0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1p80 s ALA 652 Cb 0.04 0.79 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1p80 s ALA 652 CO 0.91 -1.00 0.87 0.95 0.00 0.00 0.00 175.76 177.49 1p80 s THR 653 N -3.19 2.46 0.19 0.00 -4.23 -1.26 -1.87 115.64 107.75 1p80 s THR 653 Ca 0.14 -0.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 1p80 s THR 653 Cb -0.05 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.99 1p80 s THR 653 CO 0.09 0.00 1.84 -0.26 -0.54 0.00 0.00 174.62 175.75 1p80 h PHE 654 N -0.21 0.81 0.00 3.99 0.05 -1.57 -2.33 116.94 117.68 1p80 h PHE 654 Ca -0.41 0.01 -0.15 0.00 3.82 0.00 0.00 57.97 61.23 1p80 h PHE 654 Cb 1.29 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.95 1p80 h PHE 654 CO 0.22 0.53 -0.72 0.00 -0.18 0.00 0.00 178.31 178.17 1p80 h ALA 655 N 1.21 0.64 -0.09 2.45 0.00 -1.91 -3.26 119.26 118.29 1p80 h ALA 655 Ca 0.23 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1p80 h ALA 655 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1p80 h ALA 655 CO -0.05 0.90 -0.51 0.78 0.00 0.00 0.00 179.25 180.37 1p80 h GLY 656 N 2.77 0.28 -6.26 0.00 0.00 -1.85 -3.36 103.07 94.65 1p80 h GLY 656 Ca -0.01 -0.30 -0.58 0.00 0.00 0.00 0.00 47.33 46.44 1p80 h GLY 656 CO 0.09 0.27 -0.92 0.00 0.00 0.00 0.00 176.54 175.98 1p80 n ALA 657 N -2.47 2.95 -0.76 3.60 0.00 -0.91 -4.88 120.51 118.04 1p80 n ALA 657 Ca -0.02 -3.69 -0.33 0.00 0.00 0.00 0.00 53.44 49.41 1p80 n ALA 657 Cb 0.55 -0.83 0.13 0.00 0.00 0.00 0.00 19.45 19.30 1p80 n ALA 657 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1p80 n PRO 658 N 1.77 -0.57 0.32 0.00 -0.01 -1.23 -4.84 135.00 130.44 1p80 n PRO 658 Ca 0.25 -0.13 0.20 0.00 -0.01 0.00 0.00 63.50 63.81 1p80 n PRO 658 Cb 0.47 -1.85 1.10 0.00 -0.01 0.00 0.00 33.50 33.21 1p80 n PRO 658 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1p80 h SER 659 N -1.69 0.00 -0.72 2.55 4.64 -1.85 -1.54 113.55 114.94 1p80 h SER 659 Ca -0.45 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.01 1p80 h SER 659 Cb 1.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 1p80 h SER 659 CO 0.35 0.00 0.48 -0.07 -0.87 0.00 0.00 176.83 176.73 1p80 h LEU 660 N 0.00 0.37 -0.27 5.97 3.38 -1.95 -1.79 115.31 121.02 1p80 h LEU 660 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1p80 h LEU 660 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1p80 h LEU 660 CO -0.00 0.19 -0.05 0.35 0.09 0.00 0.00 178.44 179.03 1p80 n THR 661 N -4.47 0.00 -4.52 0.22 -2.24 -0.58 -4.91 114.28 97.78 1p80 n THR 661 Ca 0.13 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1p80 n THR 661 Cb 0.51 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 1p80 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p80 s VAL 662 N -2.25 2.00 -0.26 2.28 -7.23 -0.67 -4.93 120.40 109.34 1p80 s VAL 662 Ca 0.36 -2.15 0.22 0.00 -1.81 0.00 0.00 61.98 58.60 1p80 s VAL 662 Cb 0.21 -2.64 -0.24 0.00 0.56 0.00 0.00 36.38 34.27 1p80 s VAL 662 CO 0.42 -0.20 0.71 0.47 -0.31 0.00 0.00 175.10 176.19 1p80 n ASP 663 N -0.75 0.35 -3.48 4.85 9.92 0.39 -5.01 116.55 122.82 1p80 n ASP 663 Ca -0.05 -0.08 -0.10 0.00 -0.53 0.00 0.00 54.79 54.03 1p80 n ASP 663 Cb 0.64 1.44 -0.02 0.00 -0.64 0.00 0.00 41.12 42.54 1p80 n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p80 s ALA 664 N -3.39 -1.71 -0.04 2.24 0.00 -1.22 -4.20 121.76 113.44 1p80 s ALA 664 Ca -0.03 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.71 1p80 s ALA 664 Cb 0.14 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1p80 s ALA 664 CO 0.87 -0.74 -0.14 0.08 0.00 0.00 0.00 175.76 175.83 1p80 s VAL 665 N -3.41 1.22 -0.09 0.00 1.01 -0.70 -1.52 120.40 116.91 1p80 s VAL 665 Ca 0.04 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1p80 s VAL 665 Cb -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1p80 s VAL 665 CO -0.10 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.55 1p80 s ILE 666 N 0.15 1.62 -0.31 2.22 1.01 -0.34 -0.62 121.20 124.93 1p80 s ILE 666 Ca -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1p80 s ILE 666 Cb -0.11 -1.45 0.08 0.00 0.01 0.00 0.00 42.46 40.99 1p80 s ILE 666 CO 0.02 0.46 -0.00 -0.69 0.00 0.00 0.00 174.94 174.73 1p80 s VAL 667 N 0.65 2.44 0.81 2.92 1.01 -0.18 -1.29 120.40 126.75 1p80 s VAL 667 Ca -0.13 -1.91 -0.11 0.00 0.00 0.00 0.00 61.98 59.82 1p80 s VAL 667 Cb -0.16 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.70 1p80 s VAL 667 CO 0.04 -0.32 1.09 -2.16 0.00 0.00 0.00 175.10 173.75 1p80 s PRO 668 N 1.05 1.99 0.96 2.72 0.04 -1.26 -1.59 135.00 138.91 1p80 s PRO 668 Ca 0.01 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 61.60 1p80 s PRO 668 Cb -0.20 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.62 1p80 s PRO 668 CO -0.05 -1.70 1.26 0.00 0.04 0.00 0.00 177.00 176.54 1p80 n GLY 670 N -3.25 0.45 3.48 0.00 0.00 -1.26 -0.67 105.19 103.95 1p80 n GLY 670 Ca 0.13 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 1p80 n GLY 670 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p80 s ASN 671 N -4.00 6.90 0.49 1.61 2.47 -1.14 -4.80 114.94 116.47 1p80 s ASN 671 Ca 0.00 -2.61 0.26 0.00 0.42 0.00 0.00 52.86 50.93 1p80 s ASN 671 Cb 0.00 -2.44 1.23 0.00 -1.45 0.00 0.00 41.25 38.59 1p80 s ASN 671 CO 0.00 -0.92 1.97 0.40 -3.72 0.00 0.00 177.10 174.83 1p80 h ILE 672 N 5.19 0.59 -0.21 -5.21 1.08 -1.92 -2.77 117.51 114.25 1p80 h ILE 672 Ca 0.29 -0.79 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1p80 h ILE 672 Cb 0.92 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1p80 h ILE 672 CO 1.25 0.17 0.18 0.00 -0.69 0.00 0.00 178.15 179.06 1p80 h ALA 673 N 1.83 2.06 -0.81 1.87 0.00 -1.96 0.65 119.26 122.90 1p80 h ALA 673 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p80 h ALA 673 Cb 0.50 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1p80 h ALA 673 CO 0.02 -0.29 0.39 0.22 0.00 0.00 0.00 179.25 179.59 1p80 h ASP 674 N 0.00 1.06 -0.00 0.00 -0.00 -1.91 -3.34 116.42 112.23 1p80 h ASP 674 Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1p80 h ASP 674 Cb 0.45 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1p80 h ASP 674 CO -0.00 0.90 -0.15 2.30 -0.00 0.00 0.00 179.24 182.29 1p80 n ILE 675 N -4.35 0.00 0.27 2.25 -5.35 0.11 -4.68 119.36 107.61 1p80 n ILE 675 Ca 0.08 -0.43 0.10 0.00 -0.27 0.00 0.00 62.75 62.23 1p80 n ILE 675 Cb 0.14 1.08 0.70 0.00 -1.74 0.00 0.00 39.64 39.82 1p80 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p80 h ALA 676 N 1.18 1.85 -0.42 -1.28 0.00 0.08 -0.91 119.26 119.77 1p80 h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p80 h ALA 676 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1p80 h ALA 676 CO 0.00 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 1p80 n ASP 677 N -4.34 3.26 -4.63 0.00 10.43 -1.26 -4.91 116.55 115.11 1p80 n ASP 677 Ca -0.03 -1.93 -0.43 0.00 2.57 0.00 0.00 54.79 54.97 1p80 n ASP 677 Cb 0.10 -0.27 -0.02 0.00 1.84 0.00 0.00 41.12 42.77 1p80 n ASP 677 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1p80 s ASN 678 N -1.16 6.83 0.20 -2.24 3.84 -0.35 -4.92 114.94 117.14 1p80 s ASN 678 Ca 0.34 0.86 -0.11 0.00 0.21 0.00 0.00 52.86 54.16 1p80 s ASN 678 Cb 0.19 -2.55 0.23 0.00 -0.55 0.00 0.00 41.25 38.57 1p80 s ASN 678 CO 0.25 -1.01 1.74 1.23 -2.79 0.00 0.00 177.10 176.53 1p80 h GLY 679 N 10.48 0.75 1.12 1.21 0.00 -1.91 -1.45 103.07 113.27 1p80 h GLY 679 Ca -0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1p80 h GLY 679 CO 1.06 -0.01 0.36 -0.55 0.00 0.00 0.00 176.54 177.41 1p80 h ASP 680 N 0.37 1.03 -0.25 0.19 3.45 -1.96 0.57 116.42 119.83 1p80 h ASP 680 Ca 0.27 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.59 1p80 h ASP 680 Cb 0.32 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1p80 h ASP 680 CO -0.28 0.88 0.09 0.00 -1.57 0.00 0.00 179.24 178.36 1p80 h ALA 681 N 1.27 0.33 -0.45 3.45 0.00 -1.62 -0.55 119.26 121.69 1p80 h ALA 681 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1p80 h ALA 681 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1p80 h ALA 681 CO -0.03 -0.07 0.19 -0.91 0.00 0.00 0.00 179.25 178.43 1p80 h ASN 682 N 0.25 0.61 -0.78 0.00 2.35 -1.13 -2.94 115.58 113.94 1p80 h ASN 682 Ca 0.08 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1p80 h ASN 682 Cb 0.20 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1p80 h ASN 682 CO -0.01 0.59 0.41 0.22 -1.65 0.00 0.00 177.43 177.00 1p80 h TYR 683 N 0.58 1.10 -0.58 1.19 5.03 -0.69 -1.87 116.97 121.73 1p80 h TYR 683 Ca 0.15 -0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.54 1p80 h TYR 683 Cb 0.17 -0.35 -0.09 0.00 1.55 0.00 0.00 36.73 38.01 1p80 h TYR 683 CO -0.00 0.78 0.07 -0.92 -1.32 0.00 0.00 178.16 176.76 1p80 h TYR 684 N 1.11 0.09 -0.09 -3.82 5.03 -0.92 0.19 116.97 118.56 1p80 h TYR 684 Ca 0.28 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.47 1p80 h TYR 684 Cb 0.06 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1p80 h TYR 684 CO 0.01 -0.09 -0.64 -0.07 -1.32 0.00 0.00 178.16 176.06 1p80 h LEU 685 N 0.19 0.37 -0.39 2.82 3.38 -1.38 -2.28 115.31 118.02 1p80 h LEU 685 Ca 0.30 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1p80 h LEU 685 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1p80 h LEU 685 CO -0.44 0.91 -0.01 0.24 0.09 0.00 0.00 178.44 179.23 1p80 h MET 686 N 0.24 0.69 -0.05 1.13 2.86 -0.43 -0.64 114.93 118.72 1p80 h MET 686 Ca -0.01 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1p80 h MET 686 Cb 1.17 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1p80 h MET 686 CO 0.10 0.79 0.02 1.49 1.06 0.00 0.00 176.91 180.38 1p80 h GLU 687 N 0.52 0.08 -1.00 1.72 4.81 -0.66 0.11 114.58 120.16 1p80 h GLU 687 Ca 0.11 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1p80 h GLU 687 Cb 0.49 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1p80 h GLU 687 CO 0.02 0.26 0.65 0.00 -0.73 0.00 0.00 179.01 179.22 1p80 h ALA 688 N 0.82 1.28 0.10 2.92 0.00 -1.39 -1.08 119.26 121.90 1p80 h ALA 688 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1p80 h ALA 688 Cb 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1p80 h ALA 688 CO -0.00 0.67 -0.05 -0.92 0.00 0.00 0.00 179.25 178.95 1p80 h TYR 689 N 1.35 -0.12 -0.95 0.00 3.20 -0.96 -1.52 116.97 117.97 1p80 h TYR 689 Ca 0.36 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.34 1p80 h TYR 689 Cb -0.15 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 1p80 h TYR 689 CO 0.00 0.03 0.61 -0.22 -1.64 0.00 0.00 178.16 176.94 1p80 h LYS 690 N -0.25 0.91 -0.79 1.82 3.64 -0.47 -1.44 116.57 119.99 1p80 h LYS 690 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1p80 h LYS 690 Cb 0.21 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1p80 h LYS 690 CO 0.02 0.60 0.00 0.72 -2.27 0.00 0.00 179.45 178.53 1p80 n HIS 691 N -4.57 0.86 -1.90 1.91 8.25 -0.45 -4.90 115.22 114.42 1p80 n HIS 691 Ca 0.17 -0.30 -0.15 0.00 -0.26 0.00 0.00 57.72 57.18 1p80 n HIS 691 Cb 0.34 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 1p80 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p80 n LEU 692 N 0.28 -1.44 -4.82 2.41 4.77 -0.54 -4.89 117.00 112.76 1p80 n LEU 692 Ca 0.12 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.90 1p80 n LEU 692 Cb 0.63 -2.29 -0.06 0.00 -2.33 0.00 0.00 43.42 39.37 1p80 n LEU 692 CO 0.13 -0.47 0.33 -0.54 -1.33 0.00 0.00 177.39 175.52 1p80 s LYS 693 N -4.09 4.19 0.26 3.23 1.02 -0.60 0.17 119.74 123.93 1p80 s LYS 693 Ca 0.00 0.75 -0.31 0.00 0.02 0.00 0.00 55.97 56.43 1p80 s LYS 693 Cb 0.00 -3.04 -0.12 0.00 -0.52 0.00 0.00 37.83 34.15 1p80 s LYS 693 CO 0.00 0.51 1.66 -2.30 -0.92 0.00 0.00 175.35 174.30 1p80 n PRO 694 N 1.13 2.76 -4.96 -1.68 -0.02 -1.26 -4.59 135.00 126.38 1p80 n PRO 694 Ca -0.06 0.99 -0.27 0.00 -2.02 0.00 0.00 63.50 62.14 1p80 n PRO 694 Cb 0.51 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 1p80 n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p80 s ILE 695 N 0.48 1.58 -0.09 4.25 1.01 -1.13 -1.72 121.20 125.59 1p80 s ILE 695 Ca 0.68 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1p80 s ILE 695 Cb -0.49 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1p80 s ILE 695 CO 0.42 0.45 -0.11 0.00 0.00 0.00 0.00 174.94 175.69 1p80 s ALA 696 N -0.27 1.34 -0.18 9.38 0.00 0.21 -0.67 121.76 131.57 1p80 s ALA 696 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1p80 s ALA 696 Cb -0.10 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1p80 s ALA 696 CO 0.01 -0.07 -0.18 -0.51 0.00 0.00 0.00 175.76 175.00 1p80 s LEU 697 N 1.02 2.25 -0.09 0.00 1.43 0.28 -1.02 118.68 122.55 1p80 s LEU 697 Ca -0.07 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1p80 s LEU 697 Cb -0.15 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1p80 s LEU 697 CO -0.01 0.01 -0.10 0.00 0.23 0.00 0.00 176.35 176.49 1p80 s ALA 698 N 1.24 2.82 0.00 4.21 0.00 -0.62 -2.62 121.76 126.79 1p80 s ALA 698 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1p80 s ALA 698 Cb -0.14 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1p80 s ALA 698 CO -0.10 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.50 1p80 n GLY 699 N 2.77 4.13 0.00 0.00 0.00 0.85 -1.67 105.19 111.28 1p80 n GLY 699 Ca -0.18 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1p80 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p80 n ASP 700 N 7.67 0.00 0.24 1.61 9.92 -1.26 -2.03 116.55 132.70 1p80 n ASP 700 Ca 0.00 0.23 0.16 0.00 -0.53 0.00 0.00 54.79 54.65 1p80 n ASP 700 Cb 0.00 -0.38 0.67 0.00 -0.64 0.00 0.00 41.12 40.77 1p80 n ASP 700 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p80 h ALA 701 N 2.75 1.00 0.00 2.24 0.00 -1.57 -2.24 119.26 121.43 1p80 h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p80 h ALA 701 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1p80 h ALA 701 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1p80 n ARG 702 N -2.82 0.10 0.28 0.00 1.74 -0.86 -1.40 116.66 113.70 1p80 n ARG 702 Ca 0.01 0.22 0.17 0.00 -0.77 0.00 0.00 57.85 57.47 1p80 n ARG 702 Cb 0.26 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 30.93 1p80 n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1p80 h LYS 703 N 0.00 0.00 0.00 5.56 6.56 -1.65 -2.59 116.57 124.46 1p80 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1p80 h LYS 703 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 1p80 h LYS 703 CO 0.00 0.04 0.00 1.19 -2.06 0.00 0.00 179.45 178.62 1p80 n PHE 704 N -3.18 0.00 0.23 -1.35 3.01 -0.49 -3.48 117.46 112.19 1p80 n PHE 704 Ca -0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1p80 n PHE 704 Cb 0.28 -0.31 0.59 0.00 -0.01 0.00 0.00 39.48 40.03 1p80 n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1p80 h LYS 705 N 0.00 0.03 -0.46 -1.08 1.57 -1.67 -2.61 116.57 112.36 1p80 h LYS 705 Ca 0.00 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1p80 h LYS 705 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1p80 h LYS 705 CO 0.00 0.08 -0.11 0.00 -0.57 0.00 0.00 179.45 178.85 1p80 h ALA 706 N 1.93 0.63 -0.61 3.86 0.00 -1.81 -0.04 119.26 123.22 1p80 h ALA 706 Ca 0.01 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1p80 h ALA 706 Cb 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1p80 h ALA 706 CO 0.00 0.52 0.40 1.15 0.00 0.00 0.00 179.25 181.33 1p80 h THR 707 N 0.72 1.03 -0.39 0.00 2.02 -1.71 -0.86 112.91 113.72 1p80 h THR 707 Ca 0.12 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1p80 h THR 707 Cb 0.65 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1p80 h THR 707 CO 0.04 0.12 0.00 2.30 0.37 0.00 0.00 175.52 178.35 1p80 n ILE 708 N -4.47 2.02 -3.95 3.11 -5.35 -1.16 -4.93 119.36 104.62 1p80 n ILE 708 Ca 0.08 -1.51 -0.42 0.00 -0.27 0.00 0.00 62.75 60.63 1p80 n ILE 708 Cb 0.20 -0.03 0.03 0.00 -1.74 0.00 0.00 39.64 38.09 1p80 n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1p80 n LYS 709 N 0.16 -0.56 -3.72 6.28 4.76 -0.33 -4.97 118.16 119.78 1p80 n LYS 709 Ca 0.21 0.21 -0.36 0.00 -2.87 0.00 0.00 58.31 55.51 1p80 n LYS 709 Cb 0.84 -3.01 -0.07 0.00 -1.84 0.00 0.00 35.03 30.95 1p80 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p80 s ILE 710 N -3.49 5.40 0.93 -0.18 1.01 -0.17 -5.02 121.20 119.69 1p80 s ILE 710 Ca 0.48 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.28 1p80 s ILE 710 Cb -0.23 -3.49 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1p80 s ILE 710 CO 0.94 0.47 0.66 0.00 0.00 0.00 0.00 174.94 177.01 1p80 n ALA 711 N 3.18 -1.97 -0.11 9.38 0.00 -1.26 -4.76 120.51 124.98 1p80 n ALA 711 Ca -0.16 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.72 1p80 n ALA 711 Cb 0.53 -1.94 0.32 0.00 0.00 0.00 0.00 19.45 18.36 1p80 n ALA 711 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p80 h ASP 712 N -1.64 0.67 0.24 0.00 3.32 -1.99 -0.99 116.42 116.03 1p80 h ASP 712 Ca -0.43 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1p80 h ASP 712 Cb 1.28 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1p80 h ASP 712 CO 0.37 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 1p80 n GLN 713 N -4.43 0.67 0.00 3.56 10.64 -1.26 -5.02 117.38 121.54 1p80 n GLN 713 Ca 0.05 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1p80 n GLN 713 Cb 0.06 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1p80 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1p80 n GLY 714 N 0.93 -0.93 2.97 2.61 0.00 -0.38 -5.05 105.19 105.35 1p80 n GLY 714 Ca 0.18 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1p80 n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p80 s GLU 715 N -2.15 0.29 0.09 1.61 2.12 -1.26 -4.71 118.70 114.69 1p80 s GLU 715 Ca 0.00 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 54.56 1p80 s GLU 715 Cb 0.00 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.26 1p80 s GLU 715 CO 0.00 -0.00 1.60 -1.21 -0.54 0.00 0.00 175.26 175.11 1p80 s GLU 716 N -1.04 4.21 0.00 4.30 0.41 -1.26 -2.08 118.70 123.25 1p80 s GLU 716 Ca -0.10 2.30 0.00 0.00 -0.41 0.00 0.00 54.97 56.77 1p80 s GLU 716 Cb -0.07 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1p80 s GLU 716 CO -0.00 -0.68 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 1p80 n GLY 717 N 3.88 1.67 3.17 -1.39 0.00 -1.26 -4.86 105.19 106.40 1p80 n GLY 717 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1p80 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 718 N -2.14 2.81 -0.13 -0.61 -1.09 -0.88 -2.82 121.20 116.34 1p80 s ILE 718 Ca 0.00 -1.22 -0.22 0.00 -2.23 0.00 0.00 60.65 56.98 1p80 s ILE 718 Cb 0.00 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1p80 s ILE 718 CO 0.00 0.07 0.65 -0.69 -1.23 0.00 0.00 174.94 173.74 1p80 s VAL 719 N 1.27 5.05 0.01 2.92 1.01 0.15 -4.63 120.40 126.18 1p80 s VAL 719 Ca -0.03 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 1p80 s VAL 719 Cb -0.18 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1p80 s VAL 719 CO -0.04 0.19 0.01 -1.83 0.00 0.00 0.00 175.10 173.44 1p80 s GLU 720 N 1.29 0.24 -0.03 2.72 -1.05 -1.26 0.99 118.70 121.61 1p80 s GLU 720 Ca 0.32 -0.37 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 1p80 s GLU 720 Cb -0.16 0.09 0.11 0.00 -0.44 0.00 0.00 34.13 33.73 1p80 s GLU 720 CO 0.13 -0.04 1.09 0.00 0.95 0.00 0.00 175.26 177.40 1p80 s ALA 721 N -0.98 -1.96 0.38 -0.84 0.00 -1.08 -4.99 121.76 112.29 1p80 s ALA 721 Ca -0.11 0.92 0.08 0.00 0.00 0.00 0.00 51.96 52.85 1p80 s ALA 721 Cb -0.07 0.30 0.78 0.00 0.00 0.00 0.00 23.12 24.13 1p80 s ALA 721 CO -0.00 -0.83 1.94 -0.44 0.00 0.00 0.00 175.76 176.43 1p80 h ASP 722 N 2.00 0.31 -5.29 0.00 3.32 -1.91 0.24 116.42 115.09 1p80 h ASP 722 Ca -0.21 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 1p80 h ASP 722 Cb 1.21 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 1p80 h ASP 722 CO 0.27 0.40 -0.27 -0.94 -1.72 0.00 0.00 179.24 176.98 1p80 s SER 723 N -6.83 -0.01 -0.19 6.45 1.04 -1.26 -2.82 113.70 110.08 1p80 s SER 723 Ca -0.06 -0.94 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 1p80 s SER 723 Cb 0.16 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.86 1p80 s SER 723 CO 0.74 -0.99 2.21 0.00 0.98 0.00 0.00 173.24 176.18 1p80 n ALA 724 N -0.29 4.95 -1.00 5.32 0.00 -1.26 -4.81 120.51 123.41 1p80 n ALA 724 Ca -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1p80 n ALA 724 Cb 0.63 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1p80 n ALA 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p80 n ASP 725 N 0.98 -1.29 -0.05 0.00 5.75 -1.26 -4.40 116.55 116.29 1p80 n ASP 725 Ca 0.22 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.89 1p80 n ASP 725 Cb 0.58 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.70 1p80 n ASP 725 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1p80 h GLY 726 N -0.64 0.79 0.94 6.12 0.00 -1.93 -2.48 103.07 105.85 1p80 h GLY 726 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 1p80 h GLY 726 CO 0.00 0.76 0.14 0.23 0.00 0.00 0.00 176.54 177.67 1p80 h SER 727 N 0.58 0.56 -0.39 0.19 0.87 -1.96 -0.36 113.55 113.03 1p80 h SER 727 Ca 0.03 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1p80 h SER 727 Cb 1.02 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1p80 h SER 727 CO 0.10 0.60 0.19 0.15 -0.53 0.00 0.00 176.83 177.33 1p80 h PHE 728 N 0.48 0.35 -0.25 2.24 3.04 -1.86 -1.82 116.94 119.12 1p80 h PHE 728 Ca 0.13 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.97 1p80 h PHE 728 Cb 0.23 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1p80 h PHE 728 CO 0.01 0.18 -0.35 0.52 -2.02 0.00 0.00 178.31 176.65 1p80 h MET 729 N 0.39 0.54 -0.40 1.11 2.86 -1.25 -2.19 114.93 116.00 1p80 h MET 729 Ca 0.17 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1p80 h MET 729 Cb 0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1p80 h MET 729 CO -0.13 0.82 -0.17 -0.44 1.06 0.00 0.00 176.91 178.05 1p80 h ASP 730 N 0.46 0.74 0.11 1.22 3.32 -0.78 -1.07 116.42 120.43 1p80 h ASP 730 Ca 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1p80 h ASP 730 Cb 0.82 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1p80 h ASP 730 CO 0.07 0.92 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.12 1p80 h GLU 731 N 0.66 -0.15 -0.58 3.56 5.08 -1.16 -0.67 114.58 121.33 1p80 h GLU 731 Ca 0.10 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1p80 h GLU 731 Cb 0.65 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1p80 h GLU 731 CO 0.05 -0.06 0.37 1.25 -1.00 0.00 0.00 179.01 179.62 1p80 h LEU 732 N -0.20 0.62 -1.29 1.33 7.12 -1.22 -1.32 115.31 120.35 1p80 h LEU 732 Ca -0.02 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.93 1p80 h LEU 732 Cb 0.16 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1p80 h LEU 732 CO 0.03 0.45 -0.26 -0.07 -0.13 0.00 0.00 178.44 178.45 1p80 h LEU 733 N 0.74 0.00 -0.30 2.25 3.38 -1.12 0.02 115.31 120.30 1p80 h LEU 733 Ca 0.22 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1p80 h LEU 733 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1p80 h LEU 733 CO -0.07 0.26 -0.36 0.74 0.09 0.00 0.00 178.44 179.10 1p80 h THR 734 N 0.00 1.30 -0.62 0.22 2.02 -0.50 -1.67 112.91 113.65 1p80 h THR 734 Ca -0.00 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 1p80 h THR 734 Cb 0.67 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1p80 h THR 734 CO 0.03 0.50 0.30 -0.07 0.37 0.00 0.00 175.52 176.65 1p80 h LEU 735 N 0.52 0.82 -1.36 2.58 3.38 -0.67 -2.48 115.31 118.10 1p80 h LEU 735 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1p80 h LEU 735 Cb 0.94 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1p80 h LEU 735 CO 0.09 0.72 0.16 0.24 0.09 0.00 0.00 178.44 179.74 1p80 h MET 736 N 0.86 0.59 0.00 1.13 2.86 -0.89 -1.05 114.93 118.44 1p80 h MET 736 Ca 0.21 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1p80 h MET 736 Cb 0.12 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1p80 h MET 736 CO -0.03 0.50 -0.06 0.00 1.06 0.00 0.00 176.91 178.38 1p80 h ALA 737 N 1.59 1.07 -0.22 6.32 0.00 -0.83 -1.47 119.26 125.72 1p80 h ALA 737 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p80 h ALA 737 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p80 h ALA 737 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1p80 n ALA 738 N -2.15 2.48 0.00 0.00 0.00 -0.42 -3.94 120.51 116.47 1p80 n ALA 738 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1p80 n ALA 738 Cb 0.25 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1p80 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p80 n HIS 739 N 0.92 0.00 -4.21 0.00 -0.00 -0.55 -4.76 115.22 106.61 1p80 n HIS 739 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.77 1p80 n HIS 739 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 1p80 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p80 s ARG 740 N 0.00 1.00 -1.10 1.57 1.81 -1.26 -4.70 118.95 116.27 1p80 s ARG 740 Ca 0.00 -1.45 -0.13 0.00 -1.72 0.00 0.00 55.73 52.44 1p80 s ARG 740 Cb 0.00 -0.28 0.21 0.00 -0.45 0.00 0.00 34.95 34.44 1p80 s ARG 740 CO 0.00 -0.07 1.20 0.08 -0.68 0.00 0.00 175.30 175.83 1p80 s VAL 741 N -3.61 5.45 0.57 3.52 1.01 0.13 -4.87 120.40 122.59 1p80 s VAL 741 Ca 0.19 -2.81 0.27 0.00 0.00 0.00 0.00 61.98 59.62 1p80 s VAL 741 Cb 0.05 -4.73 0.33 0.00 0.00 0.00 0.00 36.38 32.04 1p80 s VAL 741 CO 0.00 -1.37 2.23 -0.50 0.00 0.00 0.00 175.10 175.46 1p80 h TRP 742 N 7.22 0.00 0.00 5.22 4.06 -1.93 -1.98 115.95 128.54 1p80 h TRP 742 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1p80 h TRP 742 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 1p80 h TRP 742 CO 0.97 0.01 0.00 -1.13 -3.56 0.00 0.00 178.44 174.72 1p80 n SER 743 N -3.98 0.32 0.02 -3.49 3.41 -1.26 -2.42 113.62 106.23 1p80 n SER 743 Ca -0.03 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1p80 n SER 743 Cb 0.09 -0.65 0.43 0.00 -0.26 0.00 0.00 64.21 63.82 1p80 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1p80 n ARG 744 N -1.85 0.08 -0.19 4.33 0.63 -0.74 -4.43 116.66 114.48 1p80 n ARG 744 Ca 0.03 0.04 -0.03 0.00 -0.92 0.00 0.00 57.85 56.98 1p80 n ARG 744 Cb 0.20 -1.57 0.04 0.00 0.45 0.00 0.00 32.46 31.58 1p80 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1p80 h ILE 745 N 0.00 0.31 0.00 5.15 2.04 -1.66 0.13 117.51 123.48 1p80 h ILE 745 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1p80 h ILE 745 Cb 0.57 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1p80 h ILE 745 CO 0.00 0.00 0.06 -0.65 0.00 0.00 0.00 178.15 177.56 1p80 h PRO 746 N -0.08 0.00 0.00 2.37 0.11 -1.85 -2.64 132.00 129.92 1p80 h PRO 746 Ca 0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1p80 h PRO 746 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1p80 h PRO 746 CO -0.64 0.00 -1.37 1.63 -0.21 0.00 0.00 178.00 177.42 1p80 n LYS 747 N -3.00 0.62 0.13 1.05 5.02 0.43 -4.35 118.16 118.06 1p80 n LYS 747 Ca -0.03 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 1p80 n LYS 747 Cb 0.13 -1.77 0.47 0.00 -0.02 0.00 0.00 35.03 33.84 1p80 n LYS 747 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1p80 n ILE 748 N -2.74 0.76 -0.34 -0.18 -5.35 -0.99 -3.40 119.36 107.12 1p80 n ILE 748 Ca -0.06 0.08 0.10 0.00 -0.27 0.00 0.00 62.75 62.59 1p80 n ILE 748 Cb 0.72 -1.01 0.27 0.00 -1.74 0.00 0.00 39.64 37.88 1p80 n ILE 748 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1p80 h ASP 749 N 0.00 0.77 -0.44 7.28 3.58 -1.76 -2.41 116.42 123.44 1p80 h ASP 749 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1p80 h ASP 749 Cb 0.48 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1p80 h ASP 749 CO 0.00 0.33 0.00 0.29 -2.88 0.00 0.00 179.24 176.98 1p80 n LYS 750 N -4.74 2.29 -3.80 0.28 4.76 -1.22 -4.84 118.16 110.89 1p80 n LYS 750 Ca 0.20 -1.70 -0.36 0.00 -2.87 0.00 0.00 58.31 53.58 1p80 n LYS 750 Cb 0.47 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 32.08 1p80 n LYS 750 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1p80 s ILE 751 N -1.50 4.48 -1.11 -0.18 -1.16 -0.91 -5.02 121.20 115.80 1p80 s ILE 751 Ca 0.31 -0.12 -0.22 0.00 -0.51 0.00 0.00 60.65 60.12 1p80 s ILE 751 Cb 0.18 -3.09 0.03 0.00 0.61 0.00 0.00 42.46 40.19 1p80 s ILE 751 CO 0.19 0.35 1.66 -2.16 -2.81 0.00 0.00 174.94 172.18 1p80 s PRO 752 N 1.41 3.44 0.00 3.50 0.04 -1.26 -5.06 135.00 137.08 1p80 s PRO 752 Ca 0.06 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.82 1p80 s PRO 752 Cb -0.15 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1p80 s PRO 752 CO 0.04 -2.59 0.00 0.00 0.04 0.00 0.00 177.00 174.49