#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 0.91 0.08 -2.24 2.88 -1.26 -4.86 113.62 109.12 1p80 n SER 28 Ca 0.00 -2.42 -0.10 0.00 -1.33 0.00 0.00 58.87 55.02 1p80 n SER 28 Cb 0.00 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 1p80 n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1p80 h LEU 29 N 0.44 0.34-10.17 2.46 3.38 -2.11 -3.44 115.31 106.21 1p80 h LEU 29 Ca -0.07 -0.28 -0.50 0.00 0.09 0.00 0.00 57.88 57.11 1p80 h LEU 29 Cb 1.44 -0.11 0.09 0.00 0.09 0.00 0.00 40.66 42.17 1p80 h LEU 29 CO 0.03 1.10 0.39 0.00 0.09 0.00 0.00 178.44 180.05 1p80 s ALA 30 N -3.18 2.57 0.48 1.53 0.00 -1.26 -4.99 121.76 116.92 1p80 s ALA 30 Ca -0.04 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 1p80 s ALA 30 Cb 0.09 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1p80 s ALA 30 CO 0.84 -1.06 1.22 -1.25 0.00 0.00 0.00 175.76 175.51 1p80 s PRO 31 N -3.88 3.61 0.48 0.00 0.04 -1.26 -4.94 135.00 129.06 1p80 s PRO 31 Ca 0.68 1.90 0.23 0.00 0.04 0.00 0.00 61.00 63.85 1p80 s PRO 31 Cb -0.21 -2.38 1.24 0.00 0.04 0.00 0.00 34.50 33.20 1p80 s PRO 31 CO 0.37 -0.71 2.01 1.49 0.04 0.00 0.00 177.00 180.20 1p80 h GLU 32 N 1.93 0.00 0.00 4.56 4.57 -1.94 -1.87 114.58 121.83 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 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1p80 h GLU 32 CO 0.60 0.17 0.00 -0.40 -1.18 0.00 0.00 179.01 178.20 1p80 n ASP 33 N -3.77 0.00 -0.69 1.04 5.68 -1.26 -4.92 116.55 112.63 1p80 n ASP 33 Ca -0.02 0.06 -0.08 0.00 -0.50 0.00 0.00 54.79 54.26 1p80 n ASP 33 Cb 0.28 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 1p80 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p80 n GLY 34 N 1.23 0.63 0.00 6.12 0.00 -0.71 -4.90 105.19 107.56 1p80 n GLY 34 Ca 0.12 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.69 0.00 0.17 1.61 3.41 -1.26 -2.80 113.62 115.43 1p80 n SER 35 Ca -0.08 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.32 1p80 n SER 35 Cb 0.37 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.41 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 -3.48 7.33 2.07 -1.90 -3.46 115.15 115.72 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 -0.20 0.00 2.57 0.00 0.00 27.41 29.78 1p80 h HIS 36 CO 0.00 0.09 -0.61 0.50 -3.07 0.00 0.00 177.93 174.84 1p80 s ARG 37 N -3.21 3.76 0.38 5.12 6.06 -1.12 -5.02 118.95 124.93 1p80 s ARG 37 Ca 0.04 -0.44 -0.27 0.00 -2.50 0.00 0.00 55.73 52.56 1p80 s ARG 37 Cb 0.07 -3.22 -0.10 0.00 0.06 0.00 0.00 34.95 31.76 1p80 s ARG 37 CO 0.72 0.03 1.38 -2.14 -2.50 0.00 0.00 175.30 172.79 1p80 s PRO 38 N 1.00 4.10 0.29 5.12 0.02 -1.26 -4.95 135.00 139.32 1p80 s PRO 38 Ca 0.03 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 1p80 s PRO 38 Cb -0.14 -2.91 -0.11 0.00 0.02 0.00 0.00 34.50 31.36 1p80 s PRO 38 CO 0.03 -0.45 1.51 0.00 -0.33 0.00 0.00 177.00 177.76 1p80 s ALA 39 N -1.17 3.67 -1.34 -1.55 0.00 -1.26 -4.89 121.76 115.22 1p80 s ALA 39 Ca 0.53 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.88 1p80 s ALA 39 Cb -0.42 -3.60 0.12 0.00 0.00 0.00 0.00 23.12 19.22 1p80 s ALA 39 CO 0.56 -0.89 2.15 0.00 0.00 0.00 0.00 175.76 177.58 1p80 n ALA 40 N 1.95 6.00 -3.51 0.00 0.00 -1.26 -4.80 120.51 118.90 1p80 n ALA 40 Ca 0.06 -4.14 -0.10 0.00 0.00 0.00 0.00 53.44 49.26 1p80 n ALA 40 Cb 0.39 -3.01 -0.03 0.00 0.00 0.00 0.00 19.45 16.80 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 0.35 0.86 0.08 0.00 -1.05 -1.20 -4.84 118.70 112.89 1p80 s GLU 41 Ca 0.47 -0.19 -0.33 0.00 -0.15 0.00 0.00 54.97 54.77 1p80 s GLU 41 Cb 0.13 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 34.10 1p80 s GLU 41 CO -0.04 -0.35 1.77 -2.30 0.95 0.00 0.00 175.26 175.30 1p80 n PRO 42 N 0.02 2.46 -3.94 -4.83 -0.02 -1.26 -4.99 135.00 122.43 1p80 n PRO 42 Ca -0.11 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1p80 n PRO 42 Cb 0.61 -2.74 -0.11 0.00 -0.02 0.00 0.00 33.50 31.24 1p80 n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p80 s THR 43 N 2.54 0.09 0.71 3.45 -4.23 -1.08 -4.98 115.64 112.14 1p80 s THR 43 Ca 0.84 -0.73 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1p80 s THR 43 Cb -0.59 -0.25 0.03 0.00 1.34 0.00 0.00 72.50 73.02 1p80 s THR 43 CO 0.41 -0.40 1.10 -2.16 -0.54 0.00 0.00 174.62 173.03 1p80 s PRO 44 N -1.21 2.54 0.02 3.99 0.04 -1.26 -3.22 135.00 135.91 1p80 s PRO 44 Ca -0.13 1.29 -0.36 0.00 0.04 0.00 0.00 61.00 61.84 1p80 s PRO 44 Cb -0.08 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 1p80 s PRO 44 CO -0.00 -1.44 1.55 -2.30 0.04 0.00 0.00 177.00 174.85 1p80 n PRO 45 N -2.94 1.58 -0.43 0.56 -0.02 -1.26 -2.01 135.00 130.48 1p80 n PRO 45 Ca 0.10 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1p80 n PRO 45 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.33 1.60 0.13 -1.23 0.00 -1.26 -4.90 105.19 102.86 1p80 n GLY 46 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 0.72 -2.31 4.61 0.00 -1.76 -3.46 119.26 117.06 1p80 h ALA 47 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 1p80 h ALA 47 Cb 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 1p80 h ALA 47 CO 0.00 0.87 -0.63 -0.65 0.00 0.00 0.00 179.25 178.84 1p80 s GLN 48 N -3.39 0.71 0.47 0.00 -1.52 -1.26 -5.07 119.66 109.59 1p80 s GLN 48 Ca -0.02 -1.23 -0.24 0.00 -1.95 0.00 0.00 55.36 51.92 1p80 s GLN 48 Cb 0.11 0.23 -0.07 0.00 -0.22 0.00 0.00 33.01 33.07 1p80 s GLN 48 CO 0.80 -0.16 1.29 -2.14 -0.25 0.00 0.00 175.29 174.82 1p80 s PRO 49 N -3.94 3.60 0.73 2.91 0.02 -1.26 -5.00 135.00 132.06 1p80 s PRO 49 Ca 0.10 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 1p80 s PRO 49 Cb 0.07 -2.47 0.03 0.00 0.02 0.00 0.00 34.50 32.15 1p80 s PRO 49 CO -0.08 -0.77 1.07 0.95 -0.33 0.00 0.00 177.00 177.84 1p80 s THR 50 N -1.36 3.72 0.19 0.99 -4.23 -1.26 -4.67 115.64 109.02 1p80 s THR 50 Ca 0.64 0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 61.61 1p80 s THR 50 Cb -0.36 -3.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 1p80 s THR 50 CO 0.45 -0.73 0.33 0.00 -0.54 0.00 0.00 174.62 174.13 1p80 s ALA 51 N -2.99 -0.03 0.29 3.99 0.00 -1.26 -4.98 121.76 116.78 1p80 s ALA 51 Ca 0.59 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1p80 s ALA 51 Cb -0.15 0.94 -0.13 0.00 0.00 0.00 0.00 23.12 23.78 1p80 s ALA 51 CO 0.55 -0.70 1.25 -2.30 0.00 0.00 0.00 175.76 174.56 1p80 n PRO 52 N -0.26 1.86 -0.21 0.00 -0.02 -1.26 -4.68 135.00 130.43 1p80 n PRO 52 Ca -0.06 0.65 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1p80 n PRO 52 Cb 0.63 -2.20 0.11 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.91 0.72 2.00 -1.23 0.00 -1.31 -0.51 103.07 105.65 1p80 h GLY 53 Ca -0.44 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1p80 h GLY 53 CO 0.66 -0.18 -0.03 1.48 0.00 0.00 0.00 176.54 178.46 1p80 h SER 54 N 0.16 0.00 0.42 0.19 4.64 -1.83 -0.02 113.55 117.11 1p80 h SER 54 Ca 0.33 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.34 1p80 h SER 54 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1p80 h SER 54 CO -0.50 0.03 -1.61 -0.07 -0.87 0.00 0.00 176.83 173.81 1p80 h LEU 55 N 0.00 0.34 -0.19 5.97 3.38 -1.53 -3.17 115.31 120.10 1p80 h LEU 55 Ca -0.00 -0.52 -0.22 0.00 0.09 0.00 0.00 57.88 57.23 1p80 h LEU 55 Cb 0.51 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1p80 h LEU 55 CO 0.00 1.44 -0.75 0.50 0.09 0.00 0.00 178.44 179.73 1p80 h LYS 56 N 0.06 0.79 -2.03 1.13 1.63 -0.77 -3.40 116.57 113.98 1p80 h LYS 56 Ca -0.27 -0.63 -0.56 0.00 -0.85 0.00 0.00 60.65 58.34 1p80 h LYS 56 Cb 2.01 0.12 -0.40 0.00 -0.60 0.00 0.00 32.23 33.37 1p80 h LYS 56 CO 0.14 1.24 -1.04 0.00 -3.45 0.00 0.00 179.45 176.34 1p80 n ALA 57 N -2.60 2.64 0.26 5.00 0.00 -0.05 -3.26 120.51 122.50 1p80 n ALA 57 Ca -0.07 -3.60 0.11 0.00 0.00 0.00 0.00 53.44 49.89 1p80 n ALA 57 Cb 0.73 -0.83 0.72 0.00 0.00 0.00 0.00 19.45 20.08 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 3.92 0.00 -0.00 0.00 0.13 -1.74 -2.71 132.00 131.60 1p80 h PRO 58 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1p80 h PRO 58 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1p80 h PRO 58 CO 0.52 0.09 -0.30 -0.25 -0.23 0.00 0.00 178.00 177.82 1p80 n ASP 59 N -3.95 0.32 -4.74 1.44 8.00 -1.26 -4.82 116.55 111.54 1p80 n ASP 59 Ca -0.02 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.08 1p80 n ASP 59 Cb 0.18 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1p80 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p80 s THR 60 N -2.98 3.87 0.15 -3.53 2.01 -1.02 -5.03 115.64 109.11 1p80 s THR 60 Ca 0.13 1.66 -0.15 0.00 0.31 0.00 0.00 61.69 63.64 1p80 s THR 60 Cb 0.18 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1p80 s THR 60 CO 0.63 0.30 0.41 0.00 -0.69 0.00 0.00 174.62 175.27 1p80 s ARG 61 N -0.53 1.17 0.28 4.92 3.03 -1.26 -5.05 118.95 121.51 1p80 s ARG 61 Ca 0.48 -0.86 -0.21 0.00 2.03 0.00 0.00 55.73 57.17 1p80 s ARG 61 Cb -0.29 0.46 0.02 0.00 -1.03 0.00 0.00 34.95 34.11 1p80 s ARG 61 CO 0.35 -0.46 0.72 0.54 -1.13 0.00 0.00 175.30 175.32 1p80 s ASN 62 N -2.86 -0.25 0.25 -2.89 2.20 -1.26 -5.02 114.94 105.10 1p80 s ASN 62 Ca 0.08 -0.62 -0.05 0.00 -0.94 0.00 0.00 52.86 51.32 1p80 s ASN 62 Cb 0.01 0.73 0.32 0.00 -2.00 0.00 0.00 41.25 40.32 1p80 s ASN 62 CO -0.07 -1.36 1.87 -0.08 -2.94 0.00 0.00 177.10 174.53 1p80 h GLU 63 N 2.00 1.06 -0.09 3.55 4.81 -1.97 -0.73 114.58 123.22 1p80 h GLU 63 Ca -0.19 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1p80 h GLU 63 Cb 1.25 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1p80 h GLU 63 CO 0.23 0.70 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.95 1p80 h LYS 64 N 1.09 0.19 -0.82 1.92 1.63 -1.96 -1.87 116.57 116.75 1p80 h LYS 64 Ca 0.38 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 60.14 1p80 h LYS 64 Cb 0.09 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1p80 h LYS 64 CO -0.15 0.56 0.54 -0.07 -3.45 0.00 0.00 179.45 176.88 1p80 h LEU 65 N -0.18 0.85 -0.84 5.20 3.38 -1.89 -1.79 115.31 120.03 1p80 h LEU 65 Ca 0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1p80 h LEU 65 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1p80 h LEU 65 CO 0.01 0.57 -0.24 0.78 0.09 0.00 0.00 178.44 179.66 1p80 h ASN 66 N 0.98 0.60 1.00 -0.43 2.35 -1.03 -2.88 115.58 116.16 1p80 h ASN 66 Ca 0.34 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1p80 h ASN 66 Cb 0.11 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1p80 h ASN 66 CO -0.11 0.83 0.00 -1.54 -1.65 0.00 0.00 177.43 174.96 1p80 n SER 67 N -4.12 0.58 -0.07 5.81 3.41 -0.71 -2.08 113.62 116.44 1p80 n SER 67 Ca -0.00 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1p80 n SER 67 Cb 0.41 -0.74 0.53 0.00 -0.26 0.00 0.00 64.21 64.15 1p80 n SER 67 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p80 n LEU 68 N -2.09 0.39 0.26 1.04 4.77 -0.86 -4.11 117.00 116.40 1p80 n LEU 68 Ca 0.04 0.11 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1p80 n LEU 68 Cb 0.31 -0.27 0.63 0.00 -2.33 0.00 0.00 43.42 41.76 1p80 n LEU 68 CO 0.24 0.08 1.06 -0.08 -1.33 0.00 0.00 177.39 177.36 1p80 h GLU 69 N 0.34 0.01 0.00 3.23 4.57 -1.48 -1.93 114.58 119.32 1p80 h GLU 69 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p80 h GLU 69 Cb 0.42 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1p80 h GLU 69 CO 0.00 0.01 0.00 0.38 -1.18 0.00 0.00 179.01 178.22 1p80 h ASP 70 N 0.01 0.00 -0.01 1.04 -0.00 -1.81 -2.73 116.42 112.91 1p80 h ASP 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1p80 h ASP 70 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.34 1p80 h ASP 70 CO 0.00 0.00 -0.13 1.33 -0.00 0.00 0.00 179.24 180.45 1p80 n VAL 71 N -3.02 0.00 -2.33 4.15 0.24 -0.74 -4.98 118.33 111.65 1p80 n VAL 71 Ca -0.01 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 1p80 n VAL 71 Cb 0.21 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.34 4.45 -0.14 7.34 0.52 -1.03 -5.02 118.95 123.73 1p80 s ARG 72 Ca 0.13 1.92 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 1p80 s ARG 72 Cb 0.11 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1p80 s ARG 72 CO 0.24 -0.16 -0.14 0.15 0.02 0.00 0.00 175.30 175.40 1p80 s LYS 73 N -0.03 3.30 0.00 3.54 1.02 -1.26 -5.05 119.74 121.26 1p80 s LYS 73 Ca 0.55 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1p80 s LYS 73 Cb -0.34 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1p80 s LYS 73 CO 0.36 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1p80 n GLY 74 N 3.78 0.31 0.00 -3.33 0.00 -1.26 -5.07 105.19 99.62 1p80 n GLY 74 Ca -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.65 0.00 -4.75 1.61 3.41 -1.26 -5.07 113.62 106.91 1p80 n SER 75 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 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 -0.93 4.13 0.00 4.33 2.02 -1.26 -2.36 118.70 124.63 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 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1p80 s GLU 76 CO 0.00 -0.62 0.00 0.09 0.02 0.00 0.00 175.26 174.75 1p80 n ASN 77 N 2.14 -3.37 -4.90 -0.19 3.02 -1.26 -5.02 115.26 105.68 1p80 n ASN 77 Ca 0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.32 1p80 n ASN 77 Cb 0.38 -1.69 -0.04 0.00 -0.61 0.00 0.00 39.78 37.81 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 -1.80 3.48 0.47 3.10 2.02 -0.99 -5.09 117.35 118.54 1p80 s TYR 78 Ca 0.00 0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.73 1p80 s TYR 78 Cb 0.00 -1.75 -0.09 0.00 -0.40 0.00 0.00 41.96 39.72 1p80 s TYR 78 CO 0.00 0.59 1.04 0.00 -1.57 0.00 0.00 175.55 175.61 1p80 s ALA 79 N -1.46 2.92 -0.04 3.71 0.00 -1.26 -5.01 121.76 120.61 1p80 s ALA 79 Ca 0.33 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1p80 s ALA 79 Cb -0.13 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1p80 s ALA 79 CO 0.26 -0.29 1.16 -1.17 0.00 0.00 0.00 175.76 175.72 1p80 s LEU 80 N -3.31 4.29 0.31 0.00 2.96 -1.26 -5.00 118.68 116.67 1p80 s LEU 80 Ca 0.65 1.80 0.03 0.00 -0.22 0.00 0.00 54.13 56.39 1p80 s LEU 80 Cb -0.17 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1p80 s LEU 80 CO 0.21 -0.53 0.13 0.42 -1.32 0.00 0.00 176.35 175.26 1p80 s THR 81 N 1.94 0.53 1.05 3.68 -4.23 -1.26 -1.32 115.64 116.03 1p80 s THR 81 Ca 0.55 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.89 1p80 s THR 81 Cb -0.24 -2.55 0.24 0.00 1.34 0.00 0.00 72.50 71.28 1p80 s THR 81 CO 0.23 0.00 1.27 0.42 -0.54 0.00 0.00 174.62 176.00 1p80 s THR 82 N -3.54 1.87 -0.92 3.99 -4.23 0.29 -4.89 115.64 108.21 1p80 s THR 82 Ca 0.34 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1p80 s THR 82 Cb 0.06 -2.85 0.16 0.00 1.34 0.00 0.00 72.50 71.21 1p80 s THR 82 CO 0.16 0.00 1.59 0.59 -0.54 0.00 0.00 174.62 176.42 1p80 n ASN 83 N -4.10 0.13 -0.79 3.99 3.02 -1.26 -1.98 115.26 114.27 1p80 n ASN 83 Ca 0.15 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.35 1p80 n ASN 83 Cb 0.59 -0.56 0.29 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.63 2.08 -0.70 3.52 1.13 -1.26 -4.95 117.38 115.56 1p80 n GLN 84 Ca 0.04 -1.59 0.00 0.00 -1.94 0.00 0.00 57.00 53.51 1p80 n GLN 84 Cb 0.22 -1.47 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 1.29 0.60 3.71 1.08 0.00 -0.84 -5.05 105.19 105.98 1p80 n GLY 85 Ca 0.17 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 5.07 0.30 1.61 1.01 -1.26 -4.78 120.40 120.35 1p80 s VAL 86 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 1p80 s VAL 86 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1p80 s VAL 86 CO 0.00 0.24 1.32 -0.13 0.00 0.00 0.00 175.10 176.52 1p80 s ARG 87 N 0.97 4.36 -0.12 2.72 0.52 -1.26 -0.55 118.95 125.60 1p80 s ARG 87 Ca 0.34 2.19 -0.10 0.00 -0.52 0.00 0.00 55.73 57.63 1p80 s ARG 87 Cb -0.17 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1p80 s ARG 87 CO 0.15 -0.21 0.22 0.42 0.02 0.00 0.00 175.30 175.90 1p80 s ILE 88 N -0.84 5.36 -0.21 1.52 1.01 -0.43 -4.88 121.20 122.73 1p80 s ILE 88 Ca 0.51 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 1p80 s ILE 88 Cb -0.39 -3.52 -0.20 0.00 0.01 0.00 0.00 42.46 38.35 1p80 s ILE 88 CO 0.49 0.54 -0.00 0.00 0.00 0.00 0.00 174.94 175.97 1p80 n ALA 89 N 2.52 1.23 -3.89 9.38 0.00 -1.26 -4.82 120.51 123.67 1p80 n ALA 89 Ca -0.17 -0.91 -0.30 0.00 0.00 0.00 0.00 53.44 52.06 1p80 n ALA 89 Cb 0.53 -0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.51 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 -6.72 3.99 -0.23 0.00 3.68 -1.26 -4.96 116.67 111.16 1p80 s ASP 90 Ca -0.30 -1.43 0.11 0.00 2.13 0.00 0.00 52.55 53.06 1p80 s ASP 90 Cb 0.08 -1.15 0.71 0.00 -1.45 0.00 0.00 42.92 41.12 1p80 s ASP 90 CO 0.66 -0.31 1.63 -0.67 0.13 0.00 0.00 175.17 176.62 1p80 n ASP 91 N 4.66 5.03 -0.00 -0.34 4.64 -1.26 -4.20 116.55 125.08 1p80 n ASP 91 Ca -0.07 -2.90 0.05 0.00 -1.38 0.00 0.00 54.79 50.49 1p80 n ASP 91 Cb 0.43 -0.68 -0.07 0.00 -1.04 0.00 0.00 41.12 39.76 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 0.38 1.73 -4.07 -0.67 1.13 -1.26 -5.05 117.38 109.57 1p80 n GLN 92 Ca 0.28 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 55.15 1p80 n GLN 92 Cb 1.15 -1.12 -0.12 0.00 0.11 0.00 0.00 30.24 30.26 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 -2.64 0.86 0.62 1.08 0.01 -1.26 -5.15 114.94 108.46 1p80 s ASN 93 Ca -0.01 -0.53 -0.12 0.00 -0.71 0.00 0.00 52.86 51.50 1p80 s ASN 93 Cb 0.07 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.72 1p80 s ASN 93 CO 0.41 -0.19 1.03 -0.44 -1.51 0.00 0.00 177.10 176.40 1p80 s SER 94 N -1.50 6.07 -0.16 -1.22 0.01 -1.26 -4.98 113.70 110.66 1p80 s SER 94 Ca -0.09 1.51 -0.28 0.00 1.31 0.00 0.00 55.95 58.40 1p80 s SER 94 Cb -0.10 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1p80 s SER 94 CO 0.00 -0.98 0.97 -0.22 0.41 0.00 0.00 173.24 173.42 1p80 s LEU 95 N -5.07 4.19 0.15 2.44 2.96 -1.26 -5.02 118.68 117.06 1p80 s LEU 95 Ca 0.57 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 1p80 s LEU 95 Cb -0.12 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1p80 s LEU 95 CO 0.50 -0.49 0.03 0.00 -1.32 0.00 0.00 176.35 175.06 1p80 s ARG 96 N 2.37 0.99 -0.86 1.98 1.70 -1.26 -1.17 118.95 122.69 1p80 s ARG 96 Ca 0.44 -1.47 -0.18 0.00 -0.47 0.00 0.00 55.73 54.05 1p80 s ARG 96 Cb -0.17 0.01 0.14 0.00 -0.57 0.00 0.00 34.95 34.37 1p80 s ARG 96 CO 0.13 -0.19 1.01 0.00 -1.08 0.00 0.00 175.30 175.17 1p80 s ALA 97 N -3.87 3.50 0.00 7.88 0.00 -0.80 -4.76 121.76 123.71 1p80 s ALA 97 Ca 0.23 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 49.41 1p80 s ALA 97 Cb 0.07 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1p80 s ALA 97 CO 0.02 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.41 1p80 n GLY 98 N 5.16 0.53 0.03 0.00 0.00 -1.26 -3.55 105.19 106.10 1p80 n GLY 98 Ca 0.17 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.52 0.13 -0.33 1.61 3.41 -1.26 -1.27 113.62 115.40 1p80 n SER 99 Ca 0.00 0.53 0.04 0.00 -0.26 0.00 0.00 58.87 59.19 1p80 n SER 99 Cb 0.00 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.64 2.67 -1.79 4.33 1.74 -1.26 -5.06 116.66 115.64 1p80 n ARG 100 Ca 0.03 -2.03 -0.14 0.00 -0.77 0.00 0.00 57.85 54.95 1p80 n ARG 100 Cb 0.16 -1.28 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.35 0.71 3.78 -0.13 0.00 -0.40 -5.06 105.19 103.75 1p80 n GLY 101 Ca 0.09 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.01 3.75 0.29 1.61 0.04 -1.26 -4.59 135.00 130.83 1p80 s PRO 102 Ca 0.40 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1p80 s PRO 102 Cb -0.02 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1p80 s PRO 102 CO 0.26 -0.52 1.07 0.99 0.04 0.00 0.00 177.00 178.85 1p80 s THR 103 N -1.73 3.60 0.09 1.26 2.01 -1.26 -1.91 115.64 117.70 1p80 s THR 103 Ca 0.66 1.56 -0.10 0.00 0.31 0.00 0.00 61.69 64.12 1p80 s THR 103 Cb -0.23 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1p80 s THR 103 CO 0.28 0.33 0.42 -0.76 -0.69 0.00 0.00 174.62 174.20 1p80 s LEU 104 N -1.56 4.34 0.48 4.42 1.43 -0.32 -4.95 118.68 122.52 1p80 s LEU 104 Ca 0.46 0.81 0.22 0.00 -1.03 0.00 0.00 54.13 54.59 1p80 s LEU 104 Cb -0.30 -3.04 1.20 0.00 0.03 0.00 0.00 46.19 44.09 1p80 s LEU 104 CO 0.38 0.15 2.00 0.25 0.23 0.00 0.00 176.35 179.36 1p80 h LEU 105 N 3.63 0.00 0.00 1.79 5.85 -1.95 -2.38 115.31 122.25 1p80 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1p80 h LEU 105 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1p80 h LEU 105 CO 0.67 0.18 0.00 -1.84 -0.34 0.00 0.00 178.44 177.11 1p80 n GLU 106 N -3.84 0.66 -2.42 1.25 0.28 -1.26 -4.56 120.64 110.74 1p80 n GLU 106 Ca -0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.61 1p80 n GLU 106 Cb 0.28 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 31.69 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 -1.90 6.15 0.41 -1.84 3.68 -0.90 -4.77 116.67 117.51 1p80 s ASP 107 Ca 0.27 -1.37 0.23 0.00 2.13 0.00 0.00 52.55 53.80 1p80 s ASP 107 Cb 0.12 -2.57 0.65 0.00 -1.45 0.00 0.00 42.92 39.67 1p80 s ASP 107 CO 0.21 -1.83 1.71 2.19 0.13 0.00 0.00 175.17 177.57 1p80 h PHE 108 N 9.94 0.00 -0.08 -5.34 -0.00 -1.90 -2.29 116.94 117.27 1p80 h PHE 108 Ca 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.13 1p80 h PHE 108 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.94 1p80 h PHE 108 CO 1.28 0.23 -0.12 0.82 -0.00 0.00 0.00 178.31 180.52 1p80 h ILE 109 N 0.00 1.40 -0.15 0.88 2.04 -1.98 -1.44 117.51 118.26 1p80 h ILE 109 Ca -0.00 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.48 1p80 h ILE 109 Cb 0.93 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1p80 h ILE 109 CO 0.03 0.39 0.08 0.25 0.00 0.00 0.00 178.15 178.90 1p80 h LEU 110 N -0.24 0.13 -0.85 1.44 5.85 -1.92 -2.22 115.31 117.49 1p80 h LEU 110 Ca 0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1p80 h LEU 110 Cb 0.68 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1p80 h LEU 110 CO 0.03 0.10 -0.06 0.03 -0.34 0.00 0.00 178.44 178.20 1p80 h ARG 111 N 0.17 0.79 -0.33 1.25 3.08 -1.44 0.16 114.38 118.06 1p80 h ARG 111 Ca 0.06 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1p80 h ARG 111 Cb -0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1p80 h ARG 111 CO -0.03 0.84 0.01 1.49 -1.07 0.00 0.00 179.97 181.21 1p80 h GLU 112 N 0.73 0.58 -0.27 0.04 4.81 -1.11 0.11 114.58 119.46 1p80 h GLU 112 Ca 0.13 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1p80 h GLU 112 Cb 0.53 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1p80 h GLU 112 CO 0.03 0.71 0.17 -0.22 -0.73 0.00 0.00 179.01 178.96 1p80 h LYS 113 N 0.39 0.37 -0.11 1.92 3.64 -1.14 -1.21 116.57 120.43 1p80 h LYS 113 Ca 0.10 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1p80 h LYS 113 Cb 0.44 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1p80 h LYS 113 CO 0.02 0.29 -0.65 0.82 -2.27 0.00 0.00 179.45 177.65 1p80 h ILE 114 N 0.35 1.36 -0.58 2.00 1.08 -0.94 -2.52 117.51 118.27 1p80 h ILE 114 Ca 0.10 -2.01 -0.03 0.00 -0.39 0.00 0.00 64.86 62.53 1p80 h ILE 114 Cb 0.01 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 1p80 h ILE 114 CO -0.02 0.61 0.24 0.74 -0.69 0.00 0.00 178.15 179.03 1p80 h THR 115 N 0.30 1.22 -0.55 -0.27 2.02 -0.64 0.18 112.91 115.17 1p80 h THR 115 Ca -0.02 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1p80 h THR 115 Cb 1.21 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1p80 h THR 115 CO 0.11 0.26 0.23 -0.74 0.37 0.00 0.00 175.52 175.75 1p80 h HIS 116 N 0.80 0.84 -0.27 3.16 -0.00 -1.17 -2.44 115.15 116.07 1p80 h HIS 116 Ca 0.20 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1p80 h HIS 116 Cb 0.18 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1p80 h HIS 116 CO 0.01 0.68 0.17 0.35 -0.00 0.00 0.00 177.93 179.14 1p80 h PHE 117 N 0.76 0.35 -0.16 5.26 3.57 -1.01 -2.26 116.94 123.45 1p80 h PHE 117 Ca 0.19 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1p80 h PHE 117 Cb 0.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1p80 h PHE 117 CO 0.01 0.25 0.18 -0.44 -2.23 0.00 0.00 178.31 176.08 1p80 h ASP 118 N 0.35 0.00 -0.28 0.41 3.45 -0.36 -2.58 116.42 117.41 1p80 h ASP 118 Ca 0.10 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.42 1p80 h ASP 118 Cb -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 1p80 h ASP 118 CO -0.02 0.00 -0.13 1.41 -1.57 0.00 0.00 179.24 178.93 1p80 n HIS 119 N -3.77 0.88 0.07 4.55 8.25 -0.87 -4.75 115.22 119.59 1p80 n HIS 119 Ca 0.01 -1.51 -0.04 0.00 -0.26 0.00 0.00 57.72 55.92 1p80 n HIS 119 Cb 0.30 -0.43 0.17 0.00 1.12 0.00 0.00 29.99 31.14 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 1.03 0.30 -6.76 -0.41 5.08 -1.29 -3.45 114.58 109.07 1p80 h GLU 120 Ca 0.17 -0.16 -0.49 0.00 -1.00 0.00 0.00 59.36 57.88 1p80 h GLU 120 Cb 1.53 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1p80 h GLU 120 CO 0.31 0.71 0.17 1.03 -1.00 0.00 0.00 179.01 180.22 1p80 s ARG 121 N -4.06 4.16 0.22 2.33 1.81 -1.26 -5.09 118.95 117.06 1p80 s ARG 121 Ca -0.05 0.86 0.07 0.00 -1.72 0.00 0.00 55.73 54.89 1p80 s ARG 121 Cb 0.13 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 32.05 1p80 s ARG 121 CO 0.79 0.19 -0.11 0.96 -0.68 0.00 0.00 175.30 176.45 1p80 s ILE 122 N -1.87 1.59 0.35 1.52 -4.36 -1.26 -5.12 121.20 112.04 1p80 s ILE 122 Ca 0.53 -2.16 -0.28 0.00 -0.26 0.00 0.00 60.65 58.47 1p80 s ILE 122 Cb -0.12 -2.13 -0.12 0.00 1.25 0.00 0.00 42.46 41.34 1p80 s ILE 122 CO 0.18 -0.53 1.47 -2.65 0.24 0.00 0.00 174.94 173.65 1p80 n PRO 123 N -0.41 2.55 -1.77 0.37 -0.02 -1.26 -4.99 135.00 129.48 1p80 n PRO 123 Ca -0.07 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 1p80 n PRO 123 Cb 0.61 -2.60 0.07 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.70 2.38 0.47 -0.52 -1.05 -1.26 -4.90 118.70 112.12 1p80 s GLU 124 Ca 0.56 0.45 -0.24 0.00 -0.15 0.00 0.00 54.97 55.58 1p80 s GLU 124 Cb -0.50 -1.97 -0.08 0.00 -0.44 0.00 0.00 34.13 31.14 1p80 s GLU 124 CO 0.60 -1.37 1.33 0.54 0.95 0.00 0.00 175.26 177.31 1p80 n ARG 125 N -3.23 1.94 -0.34 -4.83 1.74 -1.26 -4.90 116.66 105.78 1p80 n ARG 125 Ca 0.07 0.70 -0.03 0.00 -0.77 0.00 0.00 57.85 57.82 1p80 n ARG 125 Cb 0.58 -2.50 0.10 0.00 -1.02 0.00 0.00 32.46 29.62 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 1.94 1.26 -3.75 0.55 6.09 -1.98 -3.36 117.51 118.26 1p80 h ILE 126 Ca -0.49 -0.58 -0.29 0.00 -1.37 0.00 0.00 64.86 62.12 1p80 h ILE 126 Cb 1.29 -0.04 -0.17 0.00 0.47 0.00 0.00 36.82 38.37 1p80 h ILE 126 CO 0.59 0.28 -0.72 0.68 -3.07 0.00 0.00 178.15 175.91 1p80 s VAL 127 N -5.92 0.84 -1.45 2.19 -7.23 -1.26 -4.82 120.40 102.75 1p80 s VAL 127 Ca -0.13 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1p80 s VAL 127 Cb 0.17 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1p80 s VAL 127 CO 0.82 -0.64 0.09 1.41 -0.31 0.00 0.00 175.10 176.47 1p80 n HIS 128 N 0.43 -0.96 0.23 2.82 8.25 -0.40 -4.89 115.22 120.69 1p80 n HIS 128 Ca -0.15 0.07 0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1p80 n HIS 128 Cb 0.58 -3.55 0.55 0.00 1.12 0.00 0.00 29.99 28.69 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 0.83 1.62 -2.35 -1.41 0.00 -1.71 -3.39 119.26 112.85 1p80 h ALA 129 Ca -0.42 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 1p80 h ALA 129 Cb 1.31 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1p80 h ALA 129 CO 0.49 0.21 0.00 0.50 0.00 0.00 0.00 179.25 180.45 1p80 s ARG 130 N -4.56 3.46 0.12 0.00 6.06 -1.25 -4.05 118.95 118.74 1p80 s ARG 130 Ca -0.04 -0.27 -0.18 0.00 -2.50 0.00 0.00 55.73 52.74 1p80 s ARG 130 Cb 0.15 -3.87 0.04 0.00 0.06 0.00 0.00 34.95 31.33 1p80 s ARG 130 CO 0.67 -0.78 0.44 0.20 -2.50 0.00 0.00 175.30 173.33 1p80 s GLY 131 N 1.84 -0.33 -0.03 8.12 0.00 -1.26 -1.80 107.32 113.86 1p80 s GLY 131 Ca 0.20 0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.02 1p80 s GLY 131 CO 0.15 -0.18 -0.05 -0.56 0.00 0.00 0.00 173.10 172.46 1p80 s SER 132 N -2.69 0.85 0.21 1.64 0.01 0.66 -4.94 113.70 109.44 1p80 s SER 132 Ca 0.02 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.19 1p80 s SER 132 Cb 0.01 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1p80 s SER 132 CO -0.11 0.00 -0.03 0.00 0.41 0.00 0.00 173.24 173.52 1p80 s ALA 133 N 0.46 1.69 0.13 1.44 0.00 -1.26 -0.35 121.76 123.88 1p80 s ALA 133 Ca -0.06 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.06 1p80 s ALA 133 Cb -0.10 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.43 1p80 s ALA 133 CO 0.00 -0.21 0.39 0.00 0.00 0.00 0.00 175.76 175.93 1p80 s ALA 134 N -3.41 -0.80 0.25 0.00 0.00 -0.48 -4.53 121.76 112.78 1p80 s ALA 134 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1p80 s ALA 134 Cb 0.05 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 1p80 s ALA 134 CO 0.06 -0.65 0.48 -1.01 0.00 0.00 0.00 175.76 174.65 1p80 s HIS 135 N -3.83 3.48 0.00 0.00 3.76 0.55 -1.25 115.29 118.00 1p80 s HIS 135 Ca 0.05 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1p80 s HIS 135 Cb 0.02 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1p80 s HIS 135 CO -0.10 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 1p80 n GLY 136 N -0.75 1.67 3.25 -2.22 0.00 -0.58 -1.41 105.19 105.14 1p80 n GLY 136 Ca -0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.20 0.02 0.06 1.61 -0.85 -0.34 -0.67 117.35 114.98 1p80 s TYR 137 Ca 0.00 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.20 1p80 s TYR 137 Cb 0.00 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 1p80 s TYR 137 CO 0.00 -0.60 -0.15 0.12 -1.52 0.00 0.00 175.55 173.40 1p80 s PHE 138 N -3.82 1.33 -0.13 -3.49 5.36 0.29 -1.19 117.98 116.34 1p80 s PHE 138 Ca 0.04 -0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 55.53 1p80 s PHE 138 Cb 0.04 -0.77 0.05 0.00 -0.34 0.00 0.00 43.02 42.00 1p80 s PHE 138 CO -0.11 0.07 0.32 -1.14 -1.46 0.00 0.00 175.22 172.90 1p80 s GLN 139 N -1.47 0.31 0.45 10.12 0.74 -0.65 -0.95 119.66 128.21 1p80 s GLN 139 Ca 0.01 0.60 -0.20 0.00 0.05 0.00 0.00 55.36 55.82 1p80 s GLN 139 Cb -0.09 -0.02 -0.10 0.00 1.10 0.00 0.00 33.01 33.90 1p80 s GLN 139 CO 0.02 -0.13 0.97 -1.25 -0.55 0.00 0.00 175.29 174.35 1p80 s PRO 140 N 1.05 4.11 0.18 1.67 0.04 -1.26 -1.46 135.00 139.33 1p80 s PRO 140 Ca -0.07 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1p80 s PRO 140 Cb -0.08 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1p80 s PRO 140 CO -0.08 -0.14 1.42 1.88 0.04 0.00 0.00 177.00 180.12 1p80 h TYR 141 N 1.69 0.31 -3.45 0.56 0.99 -1.48 -3.39 116.97 112.19 1p80 h TYR 141 Ca -0.49 -0.16 -0.04 0.00 2.00 0.00 0.00 58.73 60.04 1p80 h TYR 141 Cb 1.19 -0.04 -0.11 0.00 1.00 0.00 0.00 36.73 38.77 1p80 h TYR 141 CO 0.61 0.93 -0.06 -1.59 -0.00 0.00 0.00 178.16 178.05 1p80 s LYS 142 N -3.35 1.29 0.23 4.88 -2.85 -1.26 -4.76 119.74 113.92 1p80 s LYS 142 Ca -0.03 -0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 53.71 1p80 s LYS 142 Cb 0.11 0.48 -0.10 0.00 -2.06 0.00 0.00 37.83 36.26 1p80 s LYS 142 CO 0.82 -0.53 1.45 0.45 0.10 0.00 0.00 175.35 177.64 1p80 s SER 143 N -2.89 6.66 -0.32 0.03 0.15 -1.26 -4.67 113.70 111.40 1p80 s SER 143 Ca 0.10 2.64 0.08 0.00 0.70 0.00 0.00 55.95 59.48 1p80 s SER 143 Cb 0.00 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.26 1p80 s SER 143 CO -0.03 -0.71 1.59 0.18 1.20 0.00 0.00 173.24 175.47 1p80 n LEU 144 N 2.61 4.83 0.32 3.45 4.77 -0.17 -4.72 117.00 128.09 1p80 n LEU 144 Ca 0.08 -3.64 0.20 0.00 -0.03 0.00 0.00 56.01 52.62 1p80 n LEU 144 Cb 0.40 -0.68 1.08 0.00 -2.33 0.00 0.00 43.42 41.89 1p80 n LEU 144 CO 0.60 1.13 1.14 0.77 -1.33 0.00 0.00 177.39 179.71 1p80 h SER 145 N 1.18 0.00 0.82 -1.43 4.64 -1.77 0.35 113.55 117.34 1p80 h SER 145 Ca 0.30 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.57 1p80 h SER 145 Cb 1.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 1p80 h SER 145 CO 0.56 0.01 -0.23 0.44 -0.87 0.00 0.00 176.83 176.75 1p80 h ASP 146 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.31 116.42 119.55 1p80 h ASP 146 Ca -0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1p80 h ASP 146 Cb 0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1p80 h ASP 146 CO 0.00 0.23 -1.20 2.30 -1.57 0.00 0.00 179.24 179.00 1p80 n ILE 147 N -3.45 0.00 -3.77 0.35 -5.35 -0.24 -4.87 119.36 102.04 1p80 n ILE 147 Ca -0.00 -0.10 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1p80 n ILE 147 Cb 0.41 0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.30 0.03 -2.09 7.28 -1.32 -0.05 -3.35 115.64 113.84 1p80 s THR 148 Ca -0.02 -0.25 0.17 0.00 -1.21 0.00 0.00 61.69 60.38 1p80 s THR 148 Cb 0.03 -0.53 0.45 0.00 -1.51 0.00 0.00 72.50 70.94 1p80 s THR 148 CO 0.18 -0.14 1.40 2.29 -2.21 0.00 0.00 174.62 176.14 1p80 n LYS 149 N 2.08 2.16 -1.68 7.08 2.85 -0.35 -3.78 118.16 126.52 1p80 n LYS 149 Ca -0.17 -1.79 -0.46 0.00 -1.05 0.00 0.00 58.31 54.84 1p80 n LYS 149 Cb 0.57 -1.41 -0.04 0.00 -0.65 0.00 0.00 35.03 33.50 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 0.96 1.38 -0.14 0.58 0.00 -1.22 -4.72 120.51 117.36 1p80 n ALA 150 Ca 0.17 0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.95 1p80 n ALA 150 Cb 0.44 -2.53 0.32 0.00 0.00 0.00 0.00 19.45 17.68 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 8.72 0.70 0.72 0.00 3.58 -1.92 -2.35 116.42 125.87 1p80 h ASP 151 Ca -0.48 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1p80 h ASP 151 Cb 1.25 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1p80 h ASP 151 CO 0.94 0.50 0.00 2.22 -2.88 0.00 0.00 179.24 180.01 1p80 n PHE 152 N -4.45 0.54 -0.66 0.28 1.16 -1.26 -1.71 117.46 111.36 1p80 n PHE 152 Ca 0.07 0.21 0.07 0.00 -1.87 0.00 0.00 57.45 55.93 1p80 n PHE 152 Cb 0.07 -0.83 0.21 0.00 -1.61 0.00 0.00 39.48 37.32 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 -1.99 3.48 0.01 5.98 4.77 -0.89 -4.65 117.00 123.70 1p80 n LEU 153 Ca 0.03 -2.61 0.12 0.00 -0.03 0.00 0.00 56.01 53.52 1p80 n LEU 153 Cb 0.23 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.09 1p80 n LEU 153 CO 0.19 0.69 0.36 -1.54 -1.33 0.00 0.00 177.39 175.76 1p80 n SER 154 N -0.11 0.58 -3.65 -1.43 3.41 -0.70 -1.00 113.62 110.71 1p80 n SER 154 Ca 0.17 -0.29 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1p80 n SER 154 Cb 0.70 0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.93 1p80 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p80 s ASP 155 N -3.19 -0.84 0.62 4.04 3.68 -1.26 -4.55 116.67 115.17 1p80 s ASP 155 Ca 0.10 1.35 0.35 0.00 2.13 0.00 0.00 52.55 56.48 1p80 s ASP 155 Cb 0.17 1.25 2.05 0.00 -1.45 0.00 0.00 42.92 44.94 1p80 s ASP 155 CO 0.73 -0.23 2.29 1.55 0.13 0.00 0.00 175.17 179.64 1p80 h PRO 156 N 7.07 0.00 -0.00 4.34 0.13 -1.83 0.12 132.00 141.83 1p80 h PRO 156 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1p80 h PRO 156 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1p80 h PRO 156 CO 0.19 0.00 -0.28 0.09 -0.23 0.00 0.00 178.00 177.78 1p80 n ASN 157 N -3.54 0.48 -4.63 1.44 3.02 -1.26 -4.57 115.26 106.20 1p80 n ASN 157 Ca -0.03 -0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 53.82 1p80 n ASN 157 Cb 0.09 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1p80 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1p80 s LYS 158 N -2.80 3.98 -0.13 3.52 2.20 0.42 -5.01 119.74 121.93 1p80 s LYS 158 Ca 0.18 0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 56.70 1p80 s LYS 158 Cb 0.19 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1p80 s LYS 158 CO 0.59 -1.01 -0.03 0.96 -0.36 0.00 0.00 175.35 175.50 1p80 s ILE 159 N 3.82 3.99 -0.18 5.43 -5.25 -1.26 -4.36 121.20 123.39 1p80 s ILE 159 Ca 0.46 -0.34 -0.01 0.00 -0.99 0.00 0.00 60.65 59.77 1p80 s ILE 159 Cb -0.11 -2.71 -0.00 0.00 2.95 0.00 0.00 42.46 42.58 1p80 s ILE 159 CO 0.19 0.53 -0.13 -0.89 -1.79 0.00 0.00 174.94 172.86 1p80 s THR 160 N -0.10 2.78 0.63 8.37 2.01 -0.12 -4.96 115.64 124.25 1p80 s THR 160 Ca 0.03 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 1p80 s THR 160 Cb -0.13 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1p80 s THR 160 CO 0.02 0.49 1.25 -2.84 -0.69 0.00 0.00 174.62 172.86 1p80 s PRO 161 N 1.06 2.73 0.12 4.92 0.02 -1.26 -0.55 135.00 142.04 1p80 s PRO 161 Ca -0.01 1.94 0.01 0.00 0.02 0.00 0.00 61.00 62.97 1p80 s PRO 161 Cb -0.15 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1p80 s PRO 161 CO -0.03 -1.42 -0.03 0.14 -0.33 0.00 0.00 177.00 175.32 1p80 s VAL 162 N -1.52 0.61 -0.06 3.83 -7.23 0.16 -1.89 120.40 114.29 1p80 s VAL 162 Ca 0.80 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1p80 s VAL 162 Cb -0.34 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.78 1p80 s VAL 162 CO 0.37 -0.72 -0.03 0.12 -0.31 0.00 0.00 175.10 174.53 1p80 s PHE 163 N -3.69 0.84 -0.04 2.82 5.36 -0.67 -1.53 117.98 121.06 1p80 s PHE 163 Ca 0.16 -0.27 0.07 0.00 -0.96 0.00 0.00 56.93 55.93 1p80 s PHE 163 Cb 0.06 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.92 1p80 s PHE 163 CO -0.02 -0.29 -0.25 0.08 -1.46 0.00 0.00 175.22 173.28 1p80 s VAL 164 N 1.42 2.05 -0.11 3.12 1.01 -0.38 -0.51 120.40 126.98 1p80 s VAL 164 Ca -0.03 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.89 1p80 s VAL 164 Cb -0.13 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1p80 s VAL 164 CO -0.03 0.57 -0.17 -0.60 0.00 0.00 0.00 175.10 174.87 1p80 s ARG 165 N -0.36 2.45 0.09 2.72 3.52 -0.27 -1.38 118.95 125.71 1p80 s ARG 165 Ca 0.03 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1p80 s ARG 165 Cb -0.12 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 1p80 s ARG 165 CO 0.02 -0.03 0.18 -0.06 -0.81 0.00 0.00 175.30 174.60 1p80 s PHE 166 N 0.88 3.39 0.34 5.12 0.40 0.53 -1.64 117.98 127.00 1p80 s PHE 166 Ca -0.08 0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.23 1p80 s PHE 166 Cb -0.15 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.74 1p80 s PHE 166 CO -0.01 0.55 0.80 -1.54 0.70 0.00 0.00 175.22 175.72 1p80 s SER 167 N -2.66 -0.07 0.58 1.36 1.04 -0.75 -0.25 113.70 112.95 1p80 s SER 167 Ca 0.33 -0.96 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1p80 s SER 167 Cb -0.12 0.79 0.08 0.00 0.10 0.00 0.00 66.02 66.86 1p80 s SER 167 CO 0.26 -1.53 0.64 0.42 0.98 0.00 0.00 173.24 174.01 1p80 s THR 168 N -2.74 1.78 -0.25 2.02 -4.23 -0.75 -0.26 115.64 111.22 1p80 s THR 168 Ca 0.15 -1.23 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 1p80 s THR 168 Cb -0.05 -2.01 -0.10 0.00 1.34 0.00 0.00 72.50 71.68 1p80 s THR 168 CO 0.10 0.00 -0.33 0.52 -0.54 0.00 0.00 174.62 174.36 1p80 n VAL 169 N -2.08 1.43 -0.06 2.29 0.31 -1.22 -3.77 118.33 115.23 1p80 n VAL 169 Ca 0.08 -0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1p80 n VAL 169 Cb 0.63 -1.91 -0.11 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 -0.93 -0.00 -7.30 5.55 4.15 -1.90 -1.05 115.11 113.64 1p80 h GLN 170 Ca -0.58 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.36 1p80 h GLN 170 Cb 1.49 0.00 0.16 0.00 0.21 0.00 0.00 27.48 29.35 1p80 h GLN 170 CO -0.35 0.81 0.23 0.20 -1.93 0.00 0.00 178.83 177.79 1p80 s GLY 171 N -4.06 1.63 1.10 2.39 0.00 -1.25 -4.89 107.32 102.23 1p80 s GLY 171 Ca -0.16 0.09 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1p80 s GLY 171 CO 0.58 0.57 1.18 -0.32 0.00 0.00 0.00 173.10 175.11 1p80 s GLY 172 N -3.18 1.64 0.55 0.20 0.00 -1.26 -3.85 107.32 101.42 1p80 s GLY 172 Ca 0.64 -0.96 0.24 0.00 0.00 0.00 0.00 44.72 44.64 1p80 s GLY 172 CO 0.58 -0.15 2.19 0.00 0.00 0.00 0.00 173.10 175.72 1p80 h ALA 173 N -2.17 1.65 -0.64 3.20 0.00 -1.95 -1.06 119.26 118.29 1p80 h ALA 173 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p80 h ALA 173 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1p80 h ALA 173 CO 0.39 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1p80 n GLY 174 N -1.30 2.41 3.91 0.00 0.00 -1.26 -4.70 105.19 104.25 1p80 n GLY 174 Ca -0.03 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.91 3.40 0.38 1.61 1.04 -0.40 -5.06 113.70 113.75 1p80 s SER 175 Ca 0.47 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 1p80 s SER 175 Cb 0.28 -0.58 -0.07 0.00 0.10 0.00 0.00 66.02 65.76 1p80 s SER 175 CO 0.26 -2.57 0.74 0.00 0.98 0.00 0.00 173.24 172.65 1p80 s ALA 176 N -3.78 3.38 -0.05 5.32 0.00 -1.26 -4.92 121.76 120.45 1p80 s ALA 176 Ca 0.71 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 1p80 s ALA 176 Cb -0.06 -2.67 -0.24 0.00 0.00 0.00 0.00 23.12 20.15 1p80 s ALA 176 CO 0.52 0.08 1.02 -0.44 0.00 0.00 0.00 175.76 176.94 1p80 h ASP 177 N 1.49 0.28 -0.59 0.00 3.45 -1.15 -3.36 116.42 116.54 1p80 h ASP 177 Ca -0.47 -0.80 -0.36 0.00 0.43 0.00 0.00 57.03 55.83 1p80 h ASP 177 Cb 1.18 -0.09 -0.15 0.00 -0.56 0.00 0.00 39.33 39.72 1p80 h ASP 177 CO 0.64 1.04 0.40 0.35 -1.57 0.00 0.00 179.24 180.10 1p80 n THR 178 N -4.44 2.90 -1.73 0.35 -2.24 -1.26 -4.92 114.28 102.94 1p80 n THR 178 Ca -0.10 -1.94 -0.29 0.00 -2.27 0.00 0.00 64.05 59.45 1p80 n THR 178 Cb 0.55 -1.40 0.10 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 -2.23 2.20 -0.51 2.28 -7.23 -1.26 -4.38 120.40 109.27 1p80 s VAL 179 Ca 0.38 0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 60.41 1p80 s VAL 179 Cb 0.28 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1p80 s VAL 179 CO -0.05 -0.08 0.70 -0.60 -0.31 0.00 0.00 175.10 174.75 1p80 s ARG 180 N -5.42 3.19 0.18 4.82 3.52 -1.26 -4.59 118.95 119.39 1p80 s ARG 180 Ca 0.62 -0.70 -0.18 0.00 -0.13 0.00 0.00 55.73 55.34 1p80 s ARG 180 Cb -0.13 -4.07 0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1p80 s ARG 180 CO 0.51 -1.26 0.52 -0.65 -0.81 0.00 0.00 175.30 173.61 1p80 s GLN 181 N 2.95 1.32 0.54 5.12 -1.52 -0.77 -4.50 119.66 122.80 1p80 s GLN 181 Ca 0.19 -0.77 -0.20 0.00 -1.95 0.00 0.00 55.36 52.63 1p80 s GLN 181 Cb -0.17 0.53 -0.06 0.00 -0.22 0.00 0.00 33.01 33.08 1p80 s GLN 181 CO 0.14 -0.56 1.13 0.42 -0.25 0.00 0.00 175.29 176.17 1p80 s ILE 182 N -3.84 3.18 -0.01 1.08 -1.09 -1.26 -4.54 121.20 114.72 1p80 s ILE 182 Ca 0.07 0.74 0.03 0.00 -2.23 0.00 0.00 60.65 59.26 1p80 s ILE 182 Cb -0.01 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1p80 s ILE 182 CO -0.06 -0.15 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.28 1p80 s ARG 183 N -3.26 2.51 0.23 2.79 1.81 -1.26 -3.37 118.95 118.41 1p80 s ARG 183 Ca 0.72 -0.73 -0.10 0.00 -1.72 0.00 0.00 55.73 53.90 1p80 s ARG 183 Cb -0.24 -2.46 -0.07 0.00 -0.45 0.00 0.00 34.95 31.73 1p80 s ARG 183 CO 0.27 0.61 0.56 0.20 -0.68 0.00 0.00 175.30 176.26 1p80 s GLY 184 N -1.24 2.29 -0.33 -3.53 0.00 0.64 -0.83 107.32 104.32 1p80 s GLY 184 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 1p80 s GLY 184 CO 0.05 -0.09 0.23 -0.12 0.00 0.00 0.00 173.10 173.18 1p80 s PHE 185 N -1.82 0.18 -0.15 1.90 2.19 0.71 -1.81 117.98 119.18 1p80 s PHE 185 Ca 0.48 -0.98 -0.01 0.00 0.33 0.00 0.00 56.93 56.74 1p80 s PHE 185 Cb -0.11 -0.73 -0.02 0.00 -1.31 0.00 0.00 43.02 40.86 1p80 s PHE 185 CO 0.21 -0.87 -0.10 0.00 1.83 0.00 0.00 175.22 176.29 1p80 s ALA 186 N 1.68 2.73 -0.10 11.12 0.00 -0.65 -0.90 121.76 135.64 1p80 s ALA 186 Ca 0.14 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1p80 s ALA 186 Cb -0.18 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1p80 s ALA 186 CO -0.17 0.16 -0.21 0.99 0.00 0.00 0.00 175.76 176.53 1p80 s THR 187 N 0.48 1.90 -0.29 0.00 2.01 0.26 -1.11 115.64 118.88 1p80 s THR 187 Ca -0.07 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 1p80 s THR 187 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1p80 s THR 187 CO 0.04 0.52 0.12 -0.75 -0.69 0.00 0.00 174.62 173.86 1p80 s LYS 188 N 0.53 3.40 -0.30 4.92 2.20 0.33 -0.71 119.74 130.12 1p80 s LYS 188 Ca -0.15 -0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 1p80 s LYS 188 Cb -0.17 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1p80 s LYS 188 CO 0.05 -0.35 0.21 -0.06 -0.36 0.00 0.00 175.35 174.84 1p80 s PHE 189 N 1.60 3.22 -1.09 4.03 0.40 0.41 -1.68 117.98 124.87 1p80 s PHE 189 Ca 0.05 0.00 -0.15 0.00 -0.60 0.00 0.00 56.93 56.23 1p80 s PHE 189 Cb -0.16 -2.41 0.16 0.00 0.51 0.00 0.00 43.02 41.11 1p80 s PHE 189 CO 0.05 -0.23 1.29 0.71 0.70 0.00 0.00 175.22 177.74 1p80 s TYR 190 N 1.75 3.40 0.66 0.36 2.02 -0.79 -1.59 117.35 123.15 1p80 s TYR 190 Ca 0.07 -1.88 -0.06 0.00 -0.37 0.00 0.00 57.07 54.82 1p80 s TYR 190 Cb -0.16 -4.27 0.04 0.00 -0.40 0.00 0.00 41.96 37.17 1p80 s TYR 190 CO 0.11 -1.40 0.97 0.95 -1.57 0.00 0.00 175.55 174.61 1p80 s THR 191 N 1.83 2.77 -1.07 -0.71 -4.23 -1.01 -4.36 115.64 108.87 1p80 s THR 191 Ca 0.38 -0.17 0.22 0.00 -1.18 0.00 0.00 61.69 60.94 1p80 s THR 191 Cb -0.04 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.85 1p80 s THR 191 CO -0.04 -0.17 1.71 -0.62 -0.54 0.00 0.00 174.62 174.95 1p80 n GLU 192 N -2.79 0.05 -0.32 3.99 1.02 -1.26 -2.74 120.64 118.59 1p80 n GLU 192 Ca 0.07 0.12 0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1p80 n GLU 192 Cb 0.59 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.67 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 -1.47 1.33 0.00 3.49 1.02 -1.26 -4.85 120.64 118.91 1p80 n GLU 193 Ca 0.06 -2.80 0.00 0.00 -0.02 0.00 0.00 57.16 54.40 1p80 n GLU 193 Cb 0.24 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.23 3.13 3.71 0.62 0.00 -1.11 -4.73 105.19 105.58 1p80 n GLY 194 Ca 0.16 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.54 4.67 -0.21 -0.61 -1.09 -1.26 -2.41 121.20 117.74 1p80 s ILE 195 Ca 0.00 1.94 -0.02 0.00 -2.23 0.00 0.00 60.65 60.34 1p80 s ILE 195 Cb 0.00 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1p80 s ILE 195 CO 0.00 0.16 -0.10 0.12 -1.23 0.00 0.00 174.94 173.90 1p80 s PHE 196 N 0.92 2.93 -0.25 3.97 5.36 -0.62 -4.28 117.98 126.01 1p80 s PHE 196 Ca 0.53 -1.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.07 1p80 s PHE 196 Cb -0.23 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1p80 s PHE 196 CO 0.28 -0.68 0.13 -0.51 -1.46 0.00 0.00 175.22 172.98 1p80 s ASP 197 N 1.38 5.69 -0.48 6.13 -0.00 -0.68 -0.45 116.67 128.26 1p80 s ASP 197 Ca 0.04 -0.04 -0.10 0.00 -0.00 0.00 0.00 52.55 52.45 1p80 s ASP 197 Cb -0.14 -2.03 0.12 0.00 -0.00 0.00 0.00 42.92 40.86 1p80 s ASP 197 CO -0.07 0.01 0.36 -0.22 -0.00 0.00 0.00 175.17 175.26 1p80 s LEU 198 N 1.38 5.74 -0.78 1.23 0.20 0.12 -4.50 118.68 122.06 1p80 s LEU 198 Ca 0.06 -1.86 -0.10 0.00 0.69 0.00 0.00 54.13 52.93 1p80 s LEU 198 Cb -0.15 -2.04 0.20 0.00 -0.43 0.00 0.00 46.19 43.77 1p80 s LEU 198 CO 0.06 -0.71 0.68 -0.69 -0.29 0.00 0.00 176.35 175.40 1p80 s VAL 199 N 1.41 4.99 0.29 1.68 1.01 -1.26 -0.57 120.40 127.94 1p80 s VAL 199 Ca 0.05 -2.74 0.01 0.00 0.00 0.00 0.00 61.98 59.30 1p80 s VAL 199 Cb -0.27 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1p80 s VAL 199 CO 0.00 -0.99 0.08 0.61 0.00 0.00 0.00 175.10 174.80 1p80 n GLY 200 N 3.68 3.49 3.57 4.51 0.00 -0.08 -4.90 105.19 115.46 1p80 n GLY 200 Ca 0.13 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.62 3.10 -0.01 1.61 0.01 -0.59 -0.21 114.94 116.23 1p80 s ASN 201 Ca 0.06 -1.69 0.17 0.00 -0.71 0.00 0.00 52.86 50.69 1p80 s ASN 201 Cb -0.00 0.54 0.49 0.00 0.41 0.00 0.00 41.25 42.69 1p80 s ASN 201 CO 0.04 -0.94 1.41 -0.46 -1.51 0.00 0.00 177.10 175.64 1p80 n ASN 202 N -1.34 3.02 -4.14 -1.22 6.94 -0.01 -0.31 115.26 118.19 1p80 n ASN 202 Ca -0.09 -2.02 -0.17 0.00 -0.02 0.00 0.00 54.58 52.28 1p80 n ASN 202 Cb 0.65 -0.38 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 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 -1.30 0.99 -1.67 5.53 -4.23 -1.26 -4.57 115.64 109.14 1p80 s THR 203 Ca 0.37 -1.23 0.27 0.00 -1.18 0.00 0.00 61.69 59.92 1p80 s THR 203 Cb 0.20 -0.96 0.60 0.00 1.34 0.00 0.00 72.50 73.67 1p80 s THR 203 CO 0.25 -0.24 1.94 -0.81 -0.54 0.00 0.00 174.62 175.22 1p80 n PRO 204 N 1.37 0.58 -4.33 3.99 -0.04 -1.26 -4.59 135.00 130.72 1p80 n PRO 204 Ca -0.21 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 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 -2.33 0.49 0.47 0.52 -0.00 -1.26 -4.53 121.20 114.55 1p80 s ILE 205 Ca 0.32 -2.00 0.05 0.00 -0.00 0.00 0.00 60.65 59.02 1p80 s ILE 205 Cb 0.18 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.46 40.03 1p80 s ILE 205 CO 0.37 0.00 0.18 0.12 -0.00 0.00 0.00 174.94 175.61 1p80 s PHE 206 N -3.69 2.20 0.21 1.37 2.19 0.54 -4.89 117.98 115.92 1p80 s PHE 206 Ca 0.37 -0.74 0.02 0.00 0.33 0.00 0.00 56.93 56.90 1p80 s PHE 206 Cb 0.07 -1.86 0.16 0.00 -1.31 0.00 0.00 43.02 40.08 1p80 s PHE 206 CO 0.15 0.07 1.51 0.74 1.83 0.00 0.00 175.22 179.51 1p80 h PHE 207 N 1.28 0.43 -2.66 10.12 -1.00 -1.88 -3.39 116.94 119.84 1p80 h PHE 207 Ca -0.42 -0.17 -0.49 0.00 2.81 0.00 0.00 57.97 59.69 1p80 h PHE 207 Cb 1.28 -0.07 -0.14 0.00 3.61 0.00 0.00 35.95 40.62 1p80 h PHE 207 CO 0.93 0.88 -0.71 0.96 -1.61 0.00 0.00 178.31 178.76 1p80 s ILE 208 N -3.72 1.81 -0.15 -0.55 -4.36 -1.26 -2.77 121.20 110.19 1p80 s ILE 208 Ca -0.05 -2.20 0.04 0.00 -0.26 0.00 0.00 60.65 58.19 1p80 s ILE 208 Cb 0.11 -2.28 -0.23 0.00 1.25 0.00 0.00 42.46 41.32 1p80 s ILE 208 CO 0.82 -0.43 0.25 0.00 0.24 0.00 0.00 174.94 175.82 1p80 n GLN 209 N -0.52 0.69 -5.07 0.37 6.02 -1.26 -4.61 117.38 113.00 1p80 n GLN 209 Ca -0.06 0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.83 1p80 n GLN 209 Cb 0.62 -1.65 -0.16 0.00 1.02 0.00 0.00 30.24 30.06 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 -6.41 2.66 0.62 1.08 -1.08 -1.26 -2.94 116.67 109.34 1p80 s ASP 210 Ca -0.19 -0.44 0.33 0.00 -0.52 0.00 0.00 52.55 51.73 1p80 s ASP 210 Cb 0.07 -0.73 1.83 0.00 -1.46 0.00 0.00 42.92 42.64 1p80 s ASP 210 CO 0.75 0.20 2.13 0.00 0.52 0.00 0.00 175.17 178.78 1p80 h ALA 211 N 6.14 1.52 -0.02 3.66 0.00 -1.72 -1.86 119.26 126.97 1p80 h ALA 211 Ca -0.32 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1p80 h ALA 211 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1p80 h ALA 211 CO 0.47 -0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.77 1p80 h HIS 212 N 0.00 0.00 -0.05 0.00 6.17 -1.96 -1.14 115.15 118.17 1p80 h HIS 212 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1p80 h HIS 212 Cb 0.41 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.34 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 -3.90 1.74 -0.11 5.26 5.02 -0.70 -4.46 118.16 121.00 1p80 n LYS 213 Ca -0.02 -1.08 -0.07 0.00 -2.02 0.00 0.00 58.31 55.12 1p80 n LYS 213 Cb 0.11 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 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 2.52 0.35 -0.90 2.13 3.04 -1.35 -1.42 116.94 121.31 1p80 h PHE 214 Ca 0.00 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.03 1p80 h PHE 214 Cb 0.54 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.89 1p80 h PHE 214 CO 0.02 0.19 0.59 -1.35 -2.02 0.00 0.00 178.31 175.74 1p80 h PRO 215 N 0.39 1.01 0.12 6.41 0.11 -1.80 0.04 132.00 138.27 1p80 h PRO 215 Ca 0.15 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1p80 h PRO 215 Cb 0.05 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1p80 h PRO 215 CO -0.10 0.67 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.86 1p80 h ASP 216 N 1.04 -0.14 -0.25 -2.05 3.45 -1.69 -0.30 116.42 116.48 1p80 h ASP 216 Ca 0.39 -0.24 0.01 0.00 0.43 0.00 0.00 57.03 57.62 1p80 h ASP 216 Cb 0.18 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1p80 h ASP 216 CO -0.14 0.17 0.13 0.15 -1.57 0.00 0.00 179.24 177.98 1p80 h PHE 217 N -0.46 0.25 -0.51 4.55 3.04 -1.00 -0.73 116.94 122.09 1p80 h PHE 217 Ca -0.02 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 1p80 h PHE 217 Cb 0.37 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1p80 h PHE 217 CO 0.02 0.14 0.03 0.28 -2.02 0.00 0.00 178.31 176.76 1p80 h VAL 218 N 0.28 1.26 -0.88 1.41 2.07 -0.99 -1.43 116.25 117.97 1p80 h VAL 218 Ca 0.10 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1p80 h VAL 218 Cb 0.02 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1p80 h VAL 218 CO -0.06 0.37 0.56 0.45 0.02 0.00 0.00 177.57 178.90 1p80 h HIS 219 N 0.74 1.04 -0.48 1.57 3.86 -0.91 -0.92 115.15 120.05 1p80 h HIS 219 Ca 0.15 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1p80 h HIS 219 Cb 0.48 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1p80 h HIS 219 CO 0.04 0.56 -0.01 0.00 0.86 0.00 0.00 177.93 179.37 1p80 h ALA 220 N 1.39 1.08 0.04 2.45 0.00 -0.63 -3.19 119.26 120.41 1p80 h ALA 220 Ca 0.37 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1p80 h ALA 220 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1p80 h ALA 220 CO -0.15 0.58 -1.15 -0.24 0.00 0.00 0.00 179.25 178.29 1p80 h VAL 221 N 0.74 1.57 -3.65 0.00 3.04 -0.90 -2.74 116.25 114.31 1p80 h VAL 221 Ca 0.14 -3.24 -0.44 0.00 -1.01 0.00 0.00 66.70 62.15 1p80 h VAL 221 Cb 0.47 2.84 0.18 0.00 -2.01 0.00 0.00 31.29 32.77 1p80 h VAL 221 CO 0.02 0.91 0.13 -0.54 -1.01 0.00 0.00 177.57 177.08 1p80 s LYS 222 N -2.68 -0.19 0.28 4.17 -0.14 -0.38 -4.75 119.74 116.04 1p80 s LYS 222 Ca -0.01 0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.84 1p80 s LYS 222 Cb 0.09 -1.66 -0.13 0.00 -1.68 0.00 0.00 37.83 34.44 1p80 s LYS 222 CO 0.84 -3.16 1.32 -2.30 -0.76 0.00 0.00 175.35 171.30 1p80 n PRO 223 N -4.47 1.98 -1.94 -1.68 -0.02 -1.25 -4.80 135.00 122.82 1p80 n PRO 223 Ca 0.05 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.84 1p80 n PRO 223 Cb 0.57 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.04 3.52 0.44 -0.52 2.02 -0.45 -4.70 118.70 117.97 1p80 s GLU 224 Ca 0.63 2.15 0.21 0.00 0.02 0.00 0.00 54.97 57.98 1p80 s GLU 224 Cb -0.63 -2.45 1.02 0.00 0.10 0.00 0.00 34.13 32.17 1p80 s GLU 224 CO 0.55 -0.86 1.90 -1.00 0.02 0.00 0.00 175.26 175.88 1p80 h PRO 225 N 1.96 0.00 -0.00 0.39 0.13 -1.90 0.37 132.00 132.95 1p80 h PRO 225 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1p80 h PRO 225 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1p80 h PRO 225 CO 0.59 0.25 -0.01 1.12 -0.23 0.00 0.00 178.00 179.73 1p80 h HIS 226 N 0.00 0.02 -0.01 1.56 2.07 -1.97 -3.39 115.15 113.44 1p80 h HIS 226 Ca -0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1p80 h HIS 226 Cb 0.59 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 1p80 h HIS 226 CO 0.00 0.62 -0.09 -2.67 -3.07 0.00 0.00 177.93 172.72 1p80 n TRP 227 N -4.79 0.00 -3.49 6.12 4.27 -1.21 -5.04 117.44 113.31 1p80 n TRP 227 Ca -0.09 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.32 1p80 n TRP 227 Cb 0.31 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.32 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 -0.15 -2.29 -2.92 -1.67 0.00 0.13 -4.99 120.51 108.61 1p80 n ALA 228 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1p80 n ALA 228 Cb 0.13 -3.85 -0.13 0.00 0.00 0.00 0.00 19.45 15.60 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 -3.47 0.03 0.27 0.00 1.01 -1.25 -4.70 121.20 113.08 1p80 s ILE 229 Ca 0.26 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1p80 s ILE 229 Cb -0.06 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 1p80 s ILE 229 CO 0.78 -0.12 0.42 -2.16 0.00 0.00 0.00 174.94 173.87 1p80 s PRO 230 N -0.34 3.46 -0.02 2.79 0.04 -1.26 -1.34 135.00 138.32 1p80 s PRO 230 Ca -0.04 -0.58 -0.16 0.00 0.04 0.00 0.00 61.00 60.26 1p80 s PRO 230 Cb -0.02 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 1p80 s PRO 230 CO -0.00 0.34 0.72 0.37 0.04 0.00 0.00 177.00 178.47 1p80 h GLN 231 N 1.13 -0.56 0.00 4.56 5.75 -1.98 -3.32 115.11 120.69 1p80 h GLN 231 Ca -0.51 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1p80 h GLN 231 Cb 1.22 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1p80 h GLN 231 CO 0.62 -0.37 -0.06 0.41 -2.65 0.00 0.00 178.83 176.78 1p80 n GLY 232 N 0.17 3.17 3.31 2.39 0.00 -1.26 -3.85 105.19 109.12 1p80 n GLY 232 Ca -0.07 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.72 1.38 0.00 1.61 -1.52 -1.26 -4.58 119.66 113.57 1p80 s GLN 233 Ca 0.15 -1.13 0.16 0.00 -1.95 0.00 0.00 55.36 52.58 1p80 s GLN 233 Cb 0.13 -1.64 0.46 0.00 -0.22 0.00 0.00 33.01 31.74 1p80 s GLN 233 CO 0.01 0.40 1.37 -1.13 -0.25 0.00 0.00 175.29 175.70 1p80 n SER 234 N 1.38 2.29 -3.74 5.90 3.41 -1.26 -4.72 113.62 116.88 1p80 n SER 234 Ca -0.18 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.07 1p80 n SER 234 Cb 0.53 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.74 5.57 -3.09 7.33 0.00 -1.26 -4.65 120.51 125.16 1p80 n ALA 235 Ca 0.15 -3.96 -0.11 0.00 0.00 0.00 0.00 53.44 49.52 1p80 n ALA 235 Cb 0.38 -3.42 -0.05 0.00 0.00 0.00 0.00 19.45 16.36 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 2.57 -0.26 0.20 0.00 -3.43 -1.26 -4.70 115.29 108.40 1p80 s HIS 236 Ca 0.46 0.03 -0.13 0.00 -0.80 0.00 0.00 55.06 54.63 1p80 s HIS 236 Cb 0.13 0.28 0.24 0.00 -1.43 0.00 0.00 32.58 31.80 1p80 s HIS 236 CO -0.07 -0.68 1.67 -0.44 -2.00 0.00 0.00 174.74 173.21 1p80 h ASP 237 N 2.49 -0.29 -0.03 7.38 5.19 -1.89 -2.79 116.42 126.48 1p80 h ASP 237 Ca -0.33 0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1p80 h ASP 237 Cb 1.25 0.26 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 1p80 h ASP 237 CO 0.45 -0.11 -0.15 0.71 -3.12 0.00 0.00 179.24 177.02 1p80 h THR 238 N 0.10 1.22 -0.00 0.35 1.35 -1.95 -0.11 112.91 113.86 1p80 h THR 238 Ca 0.29 -0.97 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1p80 h THR 238 Cb 0.45 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1p80 h THR 238 CO -0.49 0.31 0.00 0.15 -0.25 0.00 0.00 175.52 175.23 1p80 h PHE 239 N 0.34 0.00 0.00 4.73 3.57 -1.20 -2.07 116.94 122.30 1p80 h PHE 239 Ca 0.06 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1p80 h PHE 239 Cb 0.47 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1p80 h PHE 239 CO 0.01 0.26 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.53 1p80 h TRP 240 N -0.25 0.00 0.20 0.41 4.06 -1.47 -1.15 115.95 117.75 1p80 h TRP 240 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1p80 h TRP 240 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1p80 h TRP 240 CO 0.01 0.33 -0.10 0.22 -3.56 0.00 0.00 178.44 175.34 1p80 h ASP 241 N 0.00 -0.23 -0.21 -3.49 3.58 -0.92 0.21 116.42 115.35 1p80 h ASP 241 Ca -0.00 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.35 1p80 h ASP 241 Cb 0.71 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1p80 h ASP 241 CO 0.04 -0.02 0.07 0.22 -2.88 0.00 0.00 179.24 176.67 1p80 h TYR 242 N -0.44 0.12 -0.36 0.28 5.03 -1.07 -2.29 116.97 118.24 1p80 h TYR 242 Ca -0.03 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.33 1p80 h TYR 242 Cb 0.34 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 1p80 h TYR 242 CO -0.01 0.05 0.16 0.28 -1.32 0.00 0.00 178.16 177.32 1p80 h VAL 243 N 0.16 0.95 0.00 1.81 2.07 -1.16 -0.93 116.25 119.15 1p80 h VAL 243 Ca 0.09 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1p80 h VAL 243 Cb 0.07 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1p80 h VAL 243 CO -0.10 0.06 -0.00 0.77 0.02 0.00 0.00 177.57 178.31 1p80 h SER 244 N 0.33 0.00 0.04 0.57 4.64 -0.56 -2.27 113.55 116.30 1p80 h SER 244 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1p80 h SER 244 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1p80 h SER 244 CO -0.13 0.00 -0.57 0.18 -0.87 0.00 0.00 176.83 175.44 1p80 n LEU 245 N -3.99 1.60 -3.49 5.97 4.77 -0.84 -4.70 117.00 116.31 1p80 n LEU 245 Ca -0.03 -0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 55.07 1p80 n LEU 245 Cb 0.08 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1p80 n LEU 245 CO 0.29 0.31 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.28 1p80 s GLN 246 N -2.62 1.08 0.62 3.23 -1.52 -0.41 -5.00 119.66 115.04 1p80 s GLN 246 Ca 0.17 -2.14 0.38 0.00 -1.95 0.00 0.00 55.36 51.82 1p80 s GLN 246 Cb 0.18 -1.72 2.07 0.00 -0.22 0.00 0.00 33.01 33.31 1p80 s GLN 246 CO 0.64 -1.33 2.16 -1.00 -0.25 0.00 0.00 175.29 175.51 1p80 h PRO 247 N 5.91 0.00 -0.09 2.91 0.13 -1.84 -1.27 132.00 137.75 1p80 h PRO 247 Ca 0.20 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1p80 h PRO 247 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p80 h PRO 247 CO 0.41 0.00 0.09 1.05 -0.23 0.00 0.00 178.00 179.31 1p80 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.76 114.58 115.90 1p80 h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p80 h GLU 248 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 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 -0.65 -1.06 1.35 -1.04 -3.35 112.91 108.16 1p80 h THR 249 Ca 0.04 -0.53 0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1p80 h THR 249 Cb 0.22 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 1p80 h THR 249 CO -0.00 0.00 0.43 -0.07 -0.25 0.00 0.00 175.52 175.63 1p80 h LEU 250 N 0.00 0.64 0.53 3.87 3.38 -1.51 -1.85 115.31 120.37 1p80 h LEU 250 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1p80 h LEU 250 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1p80 h LEU 250 CO 0.00 0.43 -0.26 -0.74 0.09 0.00 0.00 178.44 177.96 1p80 h HIS 251 N 0.73 -0.66 -0.15 1.13 2.76 -1.80 -0.44 115.15 116.73 1p80 h HIS 251 Ca 0.27 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1p80 h HIS 251 Cb 0.14 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1p80 h HIS 251 CO -0.00 -0.41 -0.16 -0.97 -1.30 0.00 0.00 177.93 175.09 1p80 h ASN 252 N -0.71 0.22 -0.77 3.26 -0.00 -1.72 -2.16 115.58 113.70 1p80 h ASN 252 Ca -0.07 -0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.14 1p80 h ASN 252 Cb 0.55 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.77 1p80 h ASN 252 CO 0.12 0.40 0.33 0.58 -0.00 0.00 0.00 177.43 178.86 1p80 h VAL 253 N 0.22 1.25 -0.67 2.57 2.07 -1.07 -0.71 116.25 119.92 1p80 h VAL 253 Ca 0.04 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1p80 h VAL 253 Cb 0.41 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1p80 h VAL 253 CO 0.03 0.32 0.43 0.24 0.02 0.00 0.00 177.57 178.60 1p80 h MET 254 N 1.12 0.83 -0.51 1.57 2.86 -0.42 -0.42 114.93 119.96 1p80 h MET 254 Ca 0.26 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1p80 h MET 254 Cb 0.19 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1p80 h MET 254 CO -0.02 0.55 0.26 -1.49 1.06 0.00 0.00 176.91 177.27 1p80 h TRP 255 N 0.85 0.72 -0.18 -0.22 4.06 -1.19 -2.14 115.95 117.84 1p80 h TRP 255 Ca 0.26 -0.03 -0.07 0.00 2.06 0.00 0.00 58.89 61.12 1p80 h TRP 255 Cb -0.03 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 1p80 h TRP 255 CO -0.04 0.55 -0.18 0.00 -3.56 0.00 0.00 178.44 175.21 1p80 h ALA 256 N 1.10 1.37 0.00 1.49 0.00 -0.62 -2.66 119.26 119.94 1p80 h ALA 256 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p80 h ALA 256 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p80 h ALA 256 CO -0.03 0.43 -0.03 0.52 0.00 0.00 0.00 179.25 180.15 1p80 h MET 257 N 0.28 0.00 -7.53 0.00 2.86 -0.88 -3.33 114.93 106.34 1p80 h MET 257 Ca 0.05 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.26 1p80 h MET 257 Cb 0.48 0.00 0.18 0.00 0.06 0.00 0.00 31.60 32.32 1p80 h MET 257 CO 0.03 0.03 0.24 -1.54 1.06 0.00 0.00 176.91 176.73 1p80 s SER 258 N -6.19 1.91 0.01 1.22 1.04 -0.82 -4.06 113.70 106.81 1p80 s SER 258 Ca 0.06 0.59 0.14 0.00 0.48 0.00 0.00 55.95 57.22 1p80 s SER 258 Cb 0.05 -0.83 0.60 0.00 0.10 0.00 0.00 66.02 65.94 1p80 s SER 258 CO 0.66 -3.51 1.45 0.47 0.98 0.00 0.00 173.24 173.29 1p80 n ASP 259 N -4.34 0.02 -0.02 7.02 10.43 -1.26 -1.92 116.55 126.47 1p80 n ASP 259 Ca 0.13 0.51 0.14 0.00 2.57 0.00 0.00 54.79 58.13 1p80 n ASP 259 Cb 0.59 -0.51 0.56 0.00 1.84 0.00 0.00 41.12 43.61 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 0.25 0.00 -1.24 2.47 -1.88 -1.80 114.38 112.18 1p80 h ARG 260 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1p80 h ARG 260 Cb 0.24 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1p80 h ARG 260 CO 0.00 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.11 1p80 n GLY 261 N -1.55 -0.85 2.19 0.04 0.00 -0.81 -4.03 105.19 100.18 1p80 n GLY 261 Ca 0.08 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.09 -0.42 -1.65 -0.61 -5.35 -0.68 -1.84 119.36 107.71 1p80 n ILE 262 Ca 0.16 -4.29 -0.38 0.00 -0.27 0.00 0.00 62.75 57.97 1p80 n ILE 262 Cb 0.12 -1.18 0.05 0.00 -1.74 0.00 0.00 39.64 36.89 1p80 n ILE 262 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1p80 n PRO 263 N 0.88 1.09 -0.08 6.28 -0.04 -1.26 -0.43 135.00 141.45 1p80 n PRO 263 Ca 0.23 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1p80 n PRO 263 Cb 0.59 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1p80 n PRO 263 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1p80 h ARG 264 N 0.72 0.84 -2.76 0.54 9.65 -1.51 -3.39 114.38 118.46 1p80 h ARG 264 Ca -0.49 -0.46 -0.03 0.00 -1.10 0.00 0.00 59.98 57.90 1p80 h ARG 264 Cb 1.35 0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 29.82 1p80 h ARG 264 CO 0.53 1.10 0.19 0.45 2.80 0.00 0.00 179.97 185.04 1p80 s SER 265 N -6.87 -0.58 0.57 -3.80 0.15 -1.26 -4.93 113.70 96.98 1p80 s SER 265 Ca -0.10 0.18 0.30 0.00 0.70 0.00 0.00 55.95 57.02 1p80 s SER 265 Cb 0.11 0.58 1.75 0.00 -1.71 0.00 0.00 66.02 66.75 1p80 s SER 265 CO 0.87 -0.87 2.21 1.88 1.20 0.00 0.00 173.24 178.53 1p80 h TYR 266 N 2.28 0.00 0.00 3.44 0.05 -1.90 -1.34 116.97 119.50 1p80 h TYR 266 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1p80 h TYR 266 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 1p80 h TYR 266 CO 0.27 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.42 1p80 h ARG 267 N 0.00 0.00 -1.09 4.88 3.08 -1.96 -3.30 114.38 115.99 1p80 h ARG 267 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1p80 h ARG 267 Cb 0.10 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.73 1p80 h ARG 267 CO 0.00 0.00 -0.70 0.25 -1.07 0.00 0.00 179.97 178.45 1p80 n THR 268 N -2.75 2.52 -4.10 2.04 -2.24 -0.50 -4.37 114.28 104.88 1p80 n THR 268 Ca 0.02 -4.48 -0.11 0.00 -2.27 0.00 0.00 64.05 57.20 1p80 n THR 268 Cb 0.30 -1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 67.23 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 -3.59 0.63 0.67 -0.78 0.23 -1.25 -1.51 119.30 113.71 1p80 s MET 269 Ca 0.50 -0.99 -0.09 0.00 -1.03 0.00 0.00 55.69 54.09 1p80 s MET 269 Cb 0.41 -0.20 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 1p80 s MET 269 CO -0.06 0.01 1.02 -1.21 -2.03 0.00 0.00 175.02 172.75 1p80 s GLU 270 N -2.54 2.71 0.01 3.16 2.02 -1.26 -4.27 118.70 118.53 1p80 s GLU 270 Ca -0.01 0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.17 1p80 s GLU 270 Cb -0.03 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 1p80 s GLU 270 CO -0.02 -0.99 -0.05 0.20 0.02 0.00 0.00 175.26 174.41 1p80 s GLY 271 N -4.38 0.29 0.01 -1.39 0.00 -0.83 -4.20 107.32 96.82 1p80 s GLY 271 Ca 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1p80 s GLY 271 CO 0.48 -0.34 -0.02 -1.36 0.00 0.00 0.00 173.10 171.87 1p80 s PHE 272 N -0.47 0.15 -0.42 1.90 0.08 0.57 -0.38 117.98 119.42 1p80 s PHE 272 Ca -0.02 -0.26 0.25 0.00 0.12 0.00 0.00 56.93 57.02 1p80 s PHE 272 Cb -0.04 -0.11 0.61 0.00 -0.57 0.00 0.00 43.02 42.92 1p80 s PHE 272 CO -0.00 -0.09 1.70 0.78 -0.10 0.00 0.00 175.22 177.51 1p80 h GLY 273 N 5.40 0.00 0.00 4.36 0.00 -1.61 -1.57 103.07 109.65 1p80 h GLY 273 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1p80 h GLY 273 CO 0.46 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.39 1p80 n ILE 274 N -2.90 0.00 -1.72 2.60 5.41 -1.26 -4.83 119.36 116.66 1p80 n ILE 274 Ca 0.04 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.45 1p80 n ILE 274 Cb 0.46 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.45 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 2.50 -0.14 1.39 3.76 -1.26 -4.90 115.29 116.64 1p80 s HIS 275 Ca 0.00 1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 56.18 1p80 s HIS 275 Cb 0.00 -3.24 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 1p80 s HIS 275 CO 0.00 -1.87 1.08 0.99 -0.85 0.00 0.00 174.74 174.08 1p80 s THR 276 N -2.23 4.61 0.13 1.30 2.01 -1.26 -4.56 115.64 115.64 1p80 s THR 276 Ca 0.69 1.91 0.01 0.00 0.31 0.00 0.00 61.69 64.61 1p80 s THR 276 Cb -0.22 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.06 1p80 s THR 276 CO 0.41 -0.07 0.07 0.49 -0.69 0.00 0.00 174.62 174.83 1p80 n PHE 277 N 5.64 -0.86 -4.23 4.92 3.72 0.22 -4.20 117.46 122.67 1p80 n PHE 277 Ca 0.11 -0.59 -0.20 0.00 -0.05 0.00 0.00 57.45 56.72 1p80 n PHE 277 Cb 0.47 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.53 0.90 -0.10 -1.08 0.52 -0.07 -1.17 118.95 115.42 1p80 s ARG 278 Ca 0.06 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1p80 s ARG 278 Cb -0.00 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 1p80 s ARG 278 CO 0.04 0.22 -0.05 -0.51 0.02 0.00 0.00 175.30 175.02 1p80 s LEU 279 N -1.64 3.27 -0.14 2.53 1.43 0.02 -1.03 118.68 123.12 1p80 s LEU 279 Ca 0.00 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1p80 s LEU 279 Cb -0.10 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1p80 s LEU 279 CO 0.02 0.30 -0.16 -0.63 0.23 0.00 0.00 176.35 176.11 1p80 s ILE 280 N -0.41 1.70 0.73 -0.59 -1.09 -0.22 -1.02 121.20 120.30 1p80 s ILE 280 Ca 0.06 -0.73 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1p80 s ILE 280 Cb -0.12 -1.56 0.14 0.00 -1.58 0.00 0.00 42.46 39.34 1p80 s ILE 280 CO 0.02 0.48 1.00 -0.46 -1.23 0.00 0.00 174.94 174.75 1p80 n ASN 281 N 4.55 1.37 0.28 3.58 0.23 -0.80 -1.21 115.26 123.26 1p80 n ASN 281 Ca -0.18 -2.15 0.15 0.00 -0.53 0.00 0.00 54.58 51.87 1p80 n ASN 281 Cb 0.50 -0.64 0.84 0.00 -2.08 0.00 0.00 39.78 38.40 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 -0.60 1.24 -0.00 -2.53 0.00 -1.88 -0.68 119.26 114.82 1p80 h ALA 282 Ca -0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1p80 h ALA 282 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1p80 h ALA 282 CO 0.36 0.08 -0.22 0.39 0.00 0.00 0.00 179.25 179.86 1p80 n GLU 283 N -3.52 0.08 -0.20 0.00 4.71 -1.26 -4.73 120.64 115.71 1p80 n GLU 283 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1p80 n GLU 283 Cb 0.19 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1p80 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p80 n GLY 284 N 1.48 0.78 3.72 0.62 0.00 -0.26 -5.05 105.19 106.48 1p80 n GLY 284 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.80 4.61 -0.10 1.61 2.20 -1.26 -4.81 119.74 121.19 1p80 s LYS 285 Ca 0.00 1.36 -0.11 0.00 -0.36 0.00 0.00 55.97 56.86 1p80 s LYS 285 Cb 0.00 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1p80 s LYS 285 CO 0.00 0.12 0.24 0.00 -0.36 0.00 0.00 175.35 175.35 1p80 s ALA 286 N 0.40 3.77 -0.07 3.13 0.00 -1.26 -1.91 121.76 125.82 1p80 s ALA 286 Ca 0.47 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1p80 s ALA 286 Cb -0.22 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1p80 s ALA 286 CO 0.28 0.47 -0.17 0.99 0.00 0.00 0.00 175.76 177.32 1p80 s THR 287 N -0.73 1.50 0.31 0.00 2.01 -0.19 -4.21 115.64 114.34 1p80 s THR 287 Ca 0.17 -0.72 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 1p80 s THR 287 Cb -0.13 -1.32 -0.10 0.00 0.01 0.00 0.00 72.50 70.96 1p80 s THR 287 CO 0.06 0.43 1.14 -0.36 -0.69 0.00 0.00 174.62 175.21 1p80 s PHE 288 N 0.32 3.38 0.01 4.92 0.08 0.18 -0.80 117.98 126.08 1p80 s PHE 288 Ca -0.11 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1p80 s PHE 288 Cb -0.15 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 38.93 1p80 s PHE 288 CO 0.04 -0.91 -0.02 0.54 -0.10 0.00 0.00 175.22 174.77 1p80 s VAL 289 N -1.23 0.14 -0.08 -0.44 0.11 -0.31 -1.30 120.40 117.28 1p80 s VAL 289 Ca 0.48 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 1p80 s VAL 289 Cb -0.33 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1p80 s VAL 289 CO 0.42 -0.15 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.68 1p80 s ARG 290 N -0.55 2.75 0.09 1.54 0.52 -0.28 -0.61 118.95 122.40 1p80 s ARG 290 Ca -0.05 -0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 54.13 1p80 s ARG 290 Cb -0.04 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 1p80 s ARG 290 CO -0.00 0.23 0.58 -0.06 0.02 0.00 0.00 175.30 176.07 1p80 s PHE 291 N 0.19 3.79 0.05 -0.53 0.08 -1.26 -1.23 117.98 119.08 1p80 s PHE 291 Ca -0.13 1.27 0.04 0.00 0.12 0.00 0.00 56.93 58.23 1p80 s PHE 291 Cb -0.16 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 39.76 1p80 s PHE 291 CO 0.07 0.57 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.62 1p80 s HIS 292 N -1.15 1.10 -0.12 0.36 3.76 0.02 -1.67 115.29 117.59 1p80 s HIS 292 Ca 0.30 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 1p80 s HIS 292 Cb -0.19 -0.64 0.01 0.00 1.11 0.00 0.00 32.58 32.87 1p80 s HIS 292 CO 0.19 0.02 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.33 1p80 s TRP 293 N -1.05 2.41 -0.19 1.40 0.52 0.49 -0.53 118.94 121.99 1p80 s TRP 293 Ca -0.01 -1.16 -0.06 0.00 0.02 0.00 0.00 56.10 54.89 1p80 s TRP 293 Cb -0.09 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1p80 s TRP 293 CO 0.01 -0.54 0.02 0.21 0.02 0.00 0.00 176.95 176.67 1p80 s LYS 294 N 0.81 3.74 -0.16 4.98 2.20 0.01 -1.96 119.74 129.36 1p80 s LYS 294 Ca -0.08 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 1p80 s LYS 294 Cb -0.16 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1p80 s LYS 294 CO -0.00 0.13 1.33 -1.25 -0.36 0.00 0.00 175.35 175.20 1p80 s PRO 295 N 0.71 4.19 0.02 4.03 0.04 -1.26 -0.39 135.00 142.33 1p80 s PRO 295 Ca 0.01 1.71 0.21 0.00 0.04 0.00 0.00 61.00 62.97 1p80 s PRO 295 Cb -0.14 -3.81 0.89 0.00 0.04 0.00 0.00 34.50 31.48 1p80 s PRO 295 CO 0.02 -0.77 1.67 1.28 0.04 0.00 0.00 177.00 179.25 1p80 n LEU 296 N 6.79 0.05 -0.44 -3.56 4.77 -0.38 -1.48 117.00 122.75 1p80 n LEU 296 Ca 0.15 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1p80 n LEU 296 Cb 0.45 -0.50 0.50 0.00 -2.33 0.00 0.00 43.42 41.53 1p80 n LEU 296 CO 0.57 -0.16 0.85 0.00 -1.33 0.00 0.00 177.39 177.32 1p80 n ALA 297 N -1.52 2.56 0.00 -1.18 0.00 -1.26 -4.95 120.51 114.16 1p80 n ALA 297 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1p80 n ALA 297 Cb 0.25 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.11 -0.84 3.77 0.00 0.00 -0.55 -3.81 105.19 104.87 1p80 n GLY 298 Ca 0.18 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.39 4.03 -0.25 1.61 1.02 -1.26 -4.27 119.74 119.23 1p80 s LYS 299 Ca 0.00 -0.10 -0.20 0.00 0.02 0.00 0.00 55.97 55.69 1p80 s LYS 299 Cb 0.00 -3.36 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 1p80 s LYS 299 CO 0.00 0.41 0.64 0.00 -0.92 0.00 0.00 175.35 175.48 1p80 s ALA 300 N 0.02 -1.63 0.22 5.17 0.00 -0.57 -4.85 121.76 120.12 1p80 s ALA 300 Ca 0.12 1.95 0.04 0.00 0.00 0.00 0.00 51.96 54.07 1p80 s ALA 300 Cb -0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1p80 s ALA 300 CO 0.01 -0.32 -0.02 -1.12 0.00 0.00 0.00 175.76 174.31 1p80 s SER 301 N 0.71 1.90 0.93 0.00 0.01 -1.26 -1.45 113.70 114.53 1p80 s SER 301 Ca -0.03 -1.19 -0.11 0.00 1.31 0.00 0.00 55.95 55.93 1p80 s SER 301 Cb -0.05 -0.01 0.18 0.00 0.21 0.00 0.00 66.02 66.36 1p80 s SER 301 CO -0.05 -0.47 1.11 0.18 0.41 0.00 0.00 173.24 174.42 1p80 n LEU 302 N -0.40 0.00 -4.71 2.44 4.77 0.43 -4.64 117.00 114.89 1p80 n LEU 302 Ca -0.06 -1.42 -0.28 0.00 -0.03 0.00 0.00 56.01 54.22 1p80 n LEU 302 Cb 0.63 -0.82 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1p80 n LEU 302 CO 0.36 -1.24 -0.30 0.68 -1.33 0.00 0.00 177.39 175.56 1p80 s VAL 303 N -3.37 4.06 0.16 4.08 -7.23 -1.26 -4.91 120.40 111.93 1p80 s VAL 303 Ca 0.65 -1.16 -0.18 0.00 -1.81 0.00 0.00 61.98 59.47 1p80 s VAL 303 Cb -0.02 -3.01 0.08 0.00 0.56 0.00 0.00 36.38 33.99 1p80 s VAL 303 CO 0.45 -0.02 1.66 -0.25 -0.31 0.00 0.00 175.10 176.62 1p80 h TRP 304 N 2.89 -0.31 -0.94 2.82 2.91 -1.98 -0.74 115.95 120.60 1p80 h TRP 304 Ca -0.47 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.63 1p80 h TRP 304 Cb 1.19 0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.97 1p80 h TRP 304 CO 0.61 -0.21 0.61 0.22 -1.03 0.00 0.00 178.44 178.64 1p80 h ASP 305 N -0.06 0.99 -0.06 2.65 -0.00 -1.99 -0.12 116.42 117.83 1p80 h ASP 305 Ca 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.21 1p80 h ASP 305 Cb 0.33 -0.21 -0.00 0.00 -0.00 0.00 0.00 39.33 39.44 1p80 h ASP 305 CO -0.41 0.66 0.02 -0.08 -0.00 0.00 0.00 179.24 179.44 1p80 h GLU 306 N 1.15 0.10 -0.26 0.28 4.81 -1.88 -1.27 114.58 117.50 1p80 h GLU 306 Ca 0.39 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1p80 h GLU 306 Cb 0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1p80 h GLU 306 CO -0.14 0.26 0.11 0.00 -0.73 0.00 0.00 179.01 178.51 1p80 h ALA 307 N 0.83 0.30 -0.46 2.92 0.00 -0.65 0.17 119.26 122.38 1p80 h ALA 307 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1p80 h ALA 307 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1p80 h ALA 307 CO -0.00 -0.29 -0.01 0.37 0.00 0.00 0.00 179.25 179.32 1p80 h GLN 308 N 0.25 0.82 -0.73 0.00 4.15 -1.01 -2.26 115.11 116.33 1p80 h GLN 308 Ca 0.11 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1p80 h GLN 308 Cb 0.05 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1p80 h GLN 308 CO -0.09 0.88 0.35 0.87 -1.93 0.00 0.00 178.83 178.91 1p80 h LYS 309 N 0.67 1.05 0.00 1.69 1.57 -0.98 -2.50 116.57 118.07 1p80 h LYS 309 Ca 0.13 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1p80 h LYS 309 Cb 0.52 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1p80 h LYS 309 CO 0.03 0.82 -0.10 1.25 -0.57 0.00 0.00 179.45 180.88 1p80 h LEU 310 N 1.02 0.00 -2.27 2.94 5.85 -0.47 -1.32 115.31 121.06 1p80 h LEU 310 Ca 0.25 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1p80 h LEU 310 Cb 0.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1p80 h LEU 310 CO -0.03 0.10 -0.03 0.71 -0.34 0.00 0.00 178.44 178.85 1p80 h THR 311 N 0.00 0.64 0.07 1.05 1.35 -0.93 0.20 112.91 115.29 1p80 h THR 311 Ca -0.00 -0.13 -0.33 0.00 -0.55 0.00 0.00 66.41 65.41 1p80 h THR 311 Cb 0.19 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 1p80 h THR 311 CO 0.01 0.03 -1.79 0.61 -0.25 0.00 0.00 175.52 174.13 1p80 n GLY 312 N -1.23 -0.64 0.24 5.82 0.00 -0.60 -3.45 105.19 105.33 1p80 n GLY 312 Ca -0.03 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 0.81 -1.73 1.61 2.47 -1.02 -3.40 114.38 112.79 1p80 h ARG 313 Ca -0.42 -0.51 -0.33 0.00 -1.26 0.00 0.00 59.98 57.46 1p80 h ARG 313 Cb 1.77 0.06 -0.28 0.00 -1.65 0.00 0.00 29.97 29.87 1p80 h ARG 313 CO -0.04 1.14 -0.67 0.34 0.56 0.00 0.00 179.97 181.31 1p80 s ASP 314 N -6.94 0.41 0.21 7.04 2.15 0.68 -4.99 116.67 115.22 1p80 s ASP 314 Ca -0.10 -1.74 0.18 0.00 0.43 0.00 0.00 52.55 51.32 1p80 s ASP 314 Cb 0.10 0.82 0.85 0.00 -0.30 0.00 0.00 42.92 44.39 1p80 s ASP 314 CO 0.88 -0.20 1.54 -0.81 -0.17 0.00 0.00 175.17 176.42 1p80 n PRO 315 N 3.83 0.12 -0.86 4.34 -0.04 -1.22 -1.71 135.00 139.46 1p80 n PRO 315 Ca 0.15 0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 64.08 1p80 n PRO 315 Cb 0.49 -1.80 0.26 0.00 -0.04 0.00 0.00 33.50 32.40 1p80 n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1p80 n ASP 316 N -2.04 3.98 -0.15 3.54 8.00 -1.26 -0.58 116.55 128.04 1p80 n ASP 316 Ca 0.00 -3.34 -0.05 0.00 0.71 0.00 0.00 54.79 52.12 1p80 n ASP 316 Cb 0.10 -0.68 0.04 0.00 -0.02 0.00 0.00 41.12 40.56 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 1.93 0.39 -0.21 1.24 3.04 -1.68 0.05 116.94 121.71 1p80 h PHE 317 Ca 0.23 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 62.03 1p80 h PHE 317 Cb 2.03 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 40.43 1p80 h PHE 317 CO 1.08 0.18 -0.57 0.45 -2.02 0.00 0.00 178.31 177.43 1p80 h HIS 318 N 0.43 0.81 -0.28 0.41 3.86 -1.87 -0.91 115.15 117.60 1p80 h HIS 318 Ca 0.21 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1p80 h HIS 318 Cb 0.14 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1p80 h HIS 318 CO -0.12 1.06 0.11 -0.09 0.86 0.00 0.00 177.93 179.75 1p80 h ARG 319 N 0.49 0.43 -0.15 2.45 2.43 -1.84 -1.63 114.38 116.56 1p80 h ARG 319 Ca 0.01 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1p80 h ARG 319 Cb 1.13 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1p80 h ARG 319 CO 0.11 0.46 0.08 -0.09 -1.51 0.00 0.00 179.97 179.02 1p80 h ARG 320 N 0.31 0.21 -0.78 0.20 2.43 -0.99 -1.76 114.38 113.99 1p80 h ARG 320 Ca 0.09 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1p80 h ARG 320 Cb 0.19 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1p80 h ARG 320 CO -0.01 0.21 0.47 1.49 -1.51 0.00 0.00 179.97 180.63 1p80 h GLU 321 N 0.15 1.06 -0.18 0.20 4.22 -1.07 0.22 114.58 119.18 1p80 h GLU 321 Ca 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 1p80 h GLU 321 Cb 0.06 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1p80 h GLU 321 CO -0.01 0.75 0.08 1.25 -2.18 0.00 0.00 179.01 178.90 1p80 h LEU 322 N 1.07 0.24 -0.38 1.64 5.85 -1.22 -0.36 115.31 122.16 1p80 h LEU 322 Ca 0.28 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1p80 h LEU 322 Cb -0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1p80 h LEU 322 CO -0.05 0.32 0.20 -0.25 -0.34 0.00 0.00 178.44 178.32 1p80 h TRP 323 N 0.15 0.53 -0.09 1.25 2.91 -1.01 -2.58 115.95 117.11 1p80 h TRP 323 Ca 0.06 -0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.94 1p80 h TRP 323 Cb 0.15 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 1p80 h TRP 323 CO -0.02 0.42 -0.51 0.93 -1.03 0.00 0.00 178.44 178.23 1p80 h GLU 324 N 0.48 0.25 -0.29 2.65 5.08 -0.88 -1.30 114.58 120.58 1p80 h GLU 324 Ca 0.13 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1p80 h GLU 324 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1p80 h GLU 324 CO -0.02 0.71 0.15 0.00 -1.00 0.00 0.00 179.01 178.85 1p80 h ALA 325 N 1.27 0.37 -0.60 3.43 0.00 -0.93 -0.31 119.26 122.49 1p80 h ALA 325 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1p80 h ALA 325 Cb 0.97 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1p80 h ALA 325 CO 0.08 -0.10 0.19 0.82 0.00 0.00 0.00 179.25 180.24 1p80 h ILE 326 N 0.34 1.23 0.00 0.00 2.04 -1.33 0.11 117.51 119.90 1p80 h ILE 326 Ca 0.10 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.09 1p80 h ILE 326 Cb 0.08 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1p80 h ILE 326 CO -0.02 0.30 -0.41 -0.33 0.00 0.00 0.00 178.15 177.69 1p80 h GLU 327 N 0.88 0.00 0.00 2.37 5.08 -0.84 -2.66 114.58 119.40 1p80 h GLU 327 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1p80 h GLU 327 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p80 h GLU 327 CO -0.01 0.41 -0.35 0.00 -1.00 0.00 0.00 179.01 178.07 1p80 n ALA 328 N -2.44 2.74 -0.23 3.43 0.00 -0.16 -2.65 120.51 121.21 1p80 n ALA 328 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1p80 n ALA 328 Cb 0.45 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.37 0.77 2.47 0.00 0.00 -0.53 -4.55 105.19 104.72 1p80 n GLY 329 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 8.07 -4.71 1.61 10.43 0.28 -4.97 116.55 127.25 1p80 n ASP 330 Ca 0.00 -3.11 -0.42 0.00 2.57 0.00 0.00 54.79 53.83 1p80 n ASP 330 Cb 0.00 -1.37 -0.03 0.00 1.84 0.00 0.00 41.12 41.56 1p80 n ASP 330 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1p80 s PHE 331 N -0.98 2.59 -0.04 1.24 2.99 -1.26 -4.36 117.98 118.16 1p80 s PHE 331 Ca 0.55 0.19 -0.34 0.00 0.00 0.00 0.00 56.93 57.34 1p80 s PHE 331 Cb 0.19 -4.16 -0.12 0.00 0.00 0.00 0.00 43.02 38.94 1p80 s PHE 331 CO -0.10 -4.54 1.84 -2.30 -0.00 0.00 0.00 175.22 170.12 1p80 n PRO 332 N 4.69 2.24 -4.92 0.24 -0.02 -1.24 -4.80 135.00 131.19 1p80 n PRO 332 Ca 0.17 0.82 -0.28 0.00 -2.02 0.00 0.00 63.50 62.19 1p80 n PRO 332 Cb 0.36 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.02 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 3.61 2.07 0.02 -0.52 2.02 -1.26 -1.24 118.70 123.40 1p80 s GLU 333 Ca 0.90 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 55.26 1p80 s GLU 333 Cb -0.67 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 1p80 s GLU 333 CO 0.49 0.23 -0.11 0.71 0.02 0.00 0.00 175.26 176.60 1p80 s TYR 334 N 0.13 0.94 -0.28 1.61 2.02 -0.21 -1.25 117.35 120.30 1p80 s TYR 334 Ca -0.07 -0.28 -0.09 0.00 -0.37 0.00 0.00 57.07 56.25 1p80 s TYR 334 Cb -0.13 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1p80 s TYR 334 CO 0.04 -0.01 0.14 -2.00 -1.57 0.00 0.00 175.55 172.15 1p80 s GLU 335 N -0.78 3.67 0.18 -0.62 2.12 0.48 -0.35 118.70 123.39 1p80 s GLU 335 Ca 0.01 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1p80 s GLU 335 Cb -0.06 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 1p80 s GLU 335 CO 0.00 -0.25 1.19 -1.17 -0.54 0.00 0.00 175.26 174.49 1p80 s LEU 336 N 1.67 4.45 0.06 2.70 2.96 0.43 -0.81 118.68 130.12 1p80 s LEU 336 Ca 0.06 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 1p80 s LEU 336 Cb -0.16 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1p80 s LEU 336 CO 0.07 -0.37 -0.06 -0.83 -1.32 0.00 0.00 176.35 173.84 1p80 s GLY 337 N 0.18 0.53 -0.06 7.98 0.00 0.31 -0.03 107.32 116.22 1p80 s GLY 337 Ca 0.53 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1p80 s GLY 337 CO 0.36 -1.06 -0.17 -1.36 0.00 0.00 0.00 173.10 170.87 1p80 s PHE 338 N -2.46 1.82 -0.30 1.90 2.99 0.19 -0.80 117.98 121.32 1p80 s PHE 338 Ca -0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 56.93 56.13 1p80 s PHE 338 Cb -0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 43.02 41.71 1p80 s PHE 338 CO -0.03 -0.26 0.38 -0.65 -0.00 0.00 0.00 175.22 174.65 1p80 s GLN 339 N 0.32 3.85 -0.16 0.44 -0.21 -0.36 -0.55 119.66 123.00 1p80 s GLN 339 Ca -0.11 -0.12 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 1p80 s GLN 339 Cb -0.15 -3.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.15 1p80 s GLN 339 CO 0.04 -0.37 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.20 1p80 s LEU 340 N 2.08 2.63 -0.12 2.90 1.43 -1.26 -1.13 118.68 125.21 1p80 s LEU 340 Ca 0.14 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1p80 s LEU 340 Cb -0.16 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1p80 s LEU 340 CO 0.11 0.10 -0.14 -0.63 0.23 0.00 0.00 176.35 176.01 1p80 s ILE 341 N 0.74 1.47 0.62 -0.59 1.09 -0.42 -4.99 121.20 119.12 1p80 s ILE 341 Ca -0.06 -0.61 -0.19 0.00 -1.10 0.00 0.00 60.65 58.70 1p80 s ILE 341 Cb -0.15 -1.36 -0.02 0.00 -1.06 0.00 0.00 42.46 39.87 1p80 s ILE 341 CO 0.01 0.44 1.28 -2.65 -0.10 0.00 0.00 174.94 173.92 1p80 n PRO 342 N 4.36 1.23 -0.29 2.79 -0.02 -1.26 -0.65 135.00 141.16 1p80 n PRO 342 Ca -0.18 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 1p80 n PRO 342 Cb 0.51 -2.51 0.27 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 0.73 0.93 0.00 -0.52 4.81 -1.96 -1.03 114.58 117.56 1p80 h GLU 343 Ca -0.51 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1p80 h GLU 343 Cb 1.33 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1p80 h GLU 343 CO 0.54 0.62 0.00 -0.85 -0.73 0.00 0.00 179.01 178.58 1p80 n GLU 344 N -4.51 0.19 -0.69 1.92 0.00 -1.26 -2.26 120.64 114.03 1p80 n GLU 344 Ca 0.14 0.13 0.08 0.00 0.00 0.00 0.00 57.16 57.51 1p80 n GLU 344 Cb 0.24 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.53 1p80 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1p80 n ASP 345 N -1.35 4.84 -0.35 -1.84 9.92 -0.39 -4.63 116.55 122.74 1p80 n ASP 345 Ca 0.08 -2.61 0.05 0.00 -0.53 0.00 0.00 54.79 51.77 1p80 n ASP 345 Cb 0.17 -0.61 0.21 0.00 -0.64 0.00 0.00 41.12 40.25 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 3.71 0.97 -0.56 -1.24 4.81 -1.56 -2.38 114.58 118.33 1p80 h GLU 346 Ca 0.00 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 1p80 h GLU 346 Cb 1.59 -0.22 -0.13 0.00 0.63 0.00 0.00 28.75 30.62 1p80 h GLU 346 CO 0.33 0.64 0.17 1.19 -0.73 0.00 0.00 179.01 180.61 1p80 n PHE 347 N -4.62 1.80 1.36 0.92 3.01 -1.26 -4.53 117.46 114.14 1p80 n PHE 347 Ca 0.17 -1.38 0.12 0.00 1.01 0.00 0.00 57.45 57.38 1p80 n PHE 347 Cb 0.30 -0.59 0.45 0.00 -0.01 0.00 0.00 39.48 39.63 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 -0.72 1.70 -3.64 -1.08 5.02 -0.90 -4.91 118.16 113.64 1p80 n LYS 348 Ca 0.38 -1.04 -0.22 0.00 -2.02 0.00 0.00 58.31 55.41 1p80 n LYS 348 Cb 1.22 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.77 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 -1.89 2.48 -0.53 2.13 0.40 -1.26 -5.01 117.98 114.29 1p80 s PHE 349 Ca 0.35 -0.56 0.26 0.00 -0.60 0.00 0.00 56.93 56.38 1p80 s PHE 349 Cb 0.19 -2.12 0.88 0.00 0.51 0.00 0.00 43.02 42.49 1p80 s PHE 349 CO 0.30 -0.19 1.76 -0.44 0.70 0.00 0.00 175.22 177.34 1p80 h ASP 350 N 0.98 0.00 -2.28 1.36 3.45 -1.96 -3.45 116.42 114.53 1p80 h ASP 350 Ca -0.40 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.48 1p80 h ASP 350 Cb 1.27 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.91 1p80 h ASP 350 CO 0.58 0.00 -0.65 0.72 -1.57 0.00 0.00 179.24 178.31 1p80 s PHE 351 N -3.25 2.26 -0.08 4.55 -0.12 -1.26 -5.05 117.98 115.04 1p80 s PHE 351 Ca 0.07 -0.64 -0.22 0.00 -0.05 0.00 0.00 56.93 56.08 1p80 s PHE 351 Cb 0.10 -1.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.06 1p80 s PHE 351 CO 0.52 0.41 0.65 0.34 -0.05 0.00 0.00 175.22 177.09 1p80 s ASP 352 N -3.58 6.92 0.56 1.98 3.68 -1.26 -4.93 116.67 120.05 1p80 s ASP 352 Ca 0.33 1.11 0.33 0.00 2.13 0.00 0.00 52.55 56.45 1p80 s ASP 352 Cb 0.05 -2.38 1.65 0.00 -1.45 0.00 0.00 42.92 40.79 1p80 s ASP 352 CO 0.16 -0.09 2.12 -0.07 0.13 0.00 0.00 175.17 177.41 1p80 h LEU 353 N 6.76 0.00 -0.72 -1.34 3.38 -1.97 -2.34 115.31 119.07 1p80 h LEU 353 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1p80 h LEU 353 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1p80 h LEU 353 CO 0.75 0.06 0.00 0.18 0.09 0.00 0.00 178.44 179.53 1p80 n LEU 354 N -3.35 1.10 -4.56 1.67 4.77 -1.26 -4.36 117.00 111.02 1p80 n LEU 354 Ca -0.01 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1p80 n LEU 354 Cb 0.22 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1p80 n LEU 354 CO 0.27 0.21 0.29 -0.62 -1.33 0.00 0.00 177.39 176.21 1p80 s ASP 355 N -1.79 6.35 0.00 -1.43 3.68 -0.88 -4.35 116.67 118.25 1p80 s ASP 355 Ca 0.36 -0.01 0.21 0.00 2.13 0.00 0.00 52.55 55.24 1p80 s ASP 355 Cb 0.19 -2.29 1.24 0.00 -1.45 0.00 0.00 42.92 40.61 1p80 s ASP 355 CO 0.30 -0.55 1.72 -0.81 0.13 0.00 0.00 175.17 175.95 1p80 n PRO 356 N 5.89 0.86 -0.10 4.34 -0.04 -1.26 -2.04 135.00 142.66 1p80 n PRO 356 Ca -0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1p80 n PRO 356 Cb 0.49 -1.38 0.18 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.88 0.25 -4.87 0.52 -2.24 -1.26 -0.34 114.28 105.46 1p80 n THR 357 Ca 0.16 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 1p80 n THR 357 Cb 0.07 1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.75 2.72 0.31 -0.78 -0.14 -0.86 -4.86 119.74 114.38 1p80 s LYS 358 Ca 0.34 -0.70 0.06 0.00 -1.36 0.00 0.00 55.97 54.32 1p80 s LYS 358 Cb 0.21 -2.44 -0.02 0.00 -1.68 0.00 0.00 37.83 33.91 1p80 s LYS 358 CO 0.31 0.52 0.39 -0.48 -0.76 0.00 0.00 175.35 175.33 1p80 s LEU 359 N -0.45 3.96 -0.43 3.17 0.05 -1.26 -4.80 118.68 118.91 1p80 s LEU 359 Ca 0.06 -0.20 -0.09 0.00 0.05 0.00 0.00 54.13 53.94 1p80 s LEU 359 Cb -0.12 -2.63 0.09 0.00 -2.05 0.00 0.00 46.19 41.47 1p80 s LEU 359 CO 0.02 -0.31 0.27 -0.63 -0.55 0.00 0.00 176.35 175.16 1p80 s ILE 360 N -2.16 4.23 0.20 1.48 1.01 -1.26 -5.06 121.20 119.65 1p80 s ILE 360 Ca 0.41 -1.46 -0.32 0.00 0.00 0.00 0.00 60.65 59.28 1p80 s ILE 360 Cb -0.09 -3.62 -0.15 0.00 0.01 0.00 0.00 42.46 38.61 1p80 s ILE 360 CO 0.29 -0.55 1.24 -2.65 0.00 0.00 0.00 174.94 173.27 1p80 n PRO 361 N 4.92 1.50 0.27 2.79 -0.02 -1.26 -4.85 135.00 138.35 1p80 n PRO 361 Ca -0.10 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.08 1p80 n PRO 361 Cb 0.43 -2.08 0.73 0.00 -0.02 0.00 0.00 33.50 32.55 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 3.59 0.00 0.00 -0.52 5.08 -1.98 -1.65 114.58 119.10 1p80 h GLU 362 Ca -0.44 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1p80 h GLU 362 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1p80 h GLU 362 CO 0.71 0.06 -0.29 0.93 -1.00 0.00 0.00 179.01 179.42 1p80 h GLU 363 N 0.00 0.00 0.08 2.33 4.39 -1.96 -3.07 114.58 116.35 1p80 h GLU 363 Ca -0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1p80 h GLU 363 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1p80 h GLU 363 CO 0.01 0.29 -1.37 -0.07 -1.16 0.00 0.00 179.01 176.70 1p80 h LEU 364 N 0.00 0.27 -7.19 1.33 3.38 -1.69 -3.45 115.31 107.95 1p80 h LEU 364 Ca -0.00 -0.79 -0.54 0.00 0.09 0.00 0.00 57.88 56.64 1p80 h LEU 364 Cb 0.55 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.82 1p80 h LEU 364 CO 0.04 1.58 -0.76 -0.69 0.09 0.00 0.00 178.44 178.70 1p80 s VAL 365 N -2.44 0.59 0.68 1.22 1.01 -0.87 -5.09 120.40 115.50 1p80 s VAL 365 Ca -0.22 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1p80 s VAL 365 Cb 0.05 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1p80 s VAL 365 CO 0.72 -0.41 1.11 -2.16 0.00 0.00 0.00 175.10 174.36 1p80 s PRO 366 N 1.80 2.67 -0.16 2.72 0.04 -1.16 -4.19 135.00 136.72 1p80 s PRO 366 Ca 0.03 1.38 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 1p80 s PRO 366 Cb -0.17 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1p80 s PRO 366 CO -0.17 -1.35 0.79 0.08 0.04 0.00 0.00 177.00 176.40 1p80 s VAL 367 N -2.40 4.92 -0.13 -0.36 1.01 -1.26 -4.45 120.40 117.72 1p80 s VAL 367 Ca 0.67 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.99 1p80 s VAL 367 Cb -0.20 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1p80 s VAL 367 CO 0.44 0.06 0.60 -1.58 0.00 0.00 0.00 175.10 174.62 1p80 s GLN 368 N 1.95 4.32 0.34 2.72 0.74 0.28 -4.83 119.66 125.18 1p80 s GLN 368 Ca 0.37 0.64 -0.28 0.00 0.05 0.00 0.00 55.36 56.14 1p80 s GLN 368 Cb -0.17 -3.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.36 1p80 s GLN 368 CO 0.13 -0.01 1.20 -0.98 -0.55 0.00 0.00 175.29 175.08 1p80 s ARG 369 N 1.13 4.33 0.00 1.67 1.70 -1.26 -0.64 118.95 125.88 1p80 s ARG 369 Ca 0.30 1.97 0.00 0.00 -0.47 0.00 0.00 55.73 57.54 1p80 s ARG 369 Cb -0.16 -2.96 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 1p80 s ARG 369 CO 0.13 -0.13 0.00 0.28 -1.08 0.00 0.00 175.30 174.50 1p80 n VAL 370 N 0.65 0.00 -4.04 4.99 0.31 0.95 -4.88 118.33 116.32 1p80 n VAL 370 Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1p80 n VAL 370 Cb 0.44 -0.54 0.01 0.00 -0.91 0.00 0.00 33.84 32.84 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 3.32 0.15 3.22 2.92 0.00 -1.05 -1.16 105.19 112.58 1p80 n GLY 371 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 1.61 -0.05 1.61 2.20 -0.53 -0.43 119.74 122.15 1p80 s LYS 372 Ca 0.25 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 55.17 1p80 s LYS 372 Cb -0.00 -1.58 -0.01 0.00 -1.51 0.00 0.00 37.83 34.73 1p80 s LYS 372 CO -0.02 0.43 -0.25 1.41 -0.36 0.00 0.00 175.35 176.56 1p80 s MET 373 N -0.57 2.41 -0.09 4.03 -2.45 0.53 -1.64 119.30 121.52 1p80 s MET 373 Ca 0.08 -0.90 0.01 0.00 -1.25 0.00 0.00 55.69 53.63 1p80 s MET 373 Cb -0.08 -2.11 0.02 0.00 1.25 0.00 0.00 34.83 33.91 1p80 s MET 373 CO -0.00 0.42 -0.11 0.08 1.05 0.00 0.00 175.02 176.46 1p80 s VAL 374 N -0.28 1.18 -0.42 10.11 1.01 -0.33 -1.05 120.40 130.63 1p80 s VAL 374 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1p80 s VAL 374 Cb -0.13 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1p80 s VAL 374 CO 0.02 0.38 0.43 -0.76 0.00 0.00 0.00 175.10 175.18 1p80 s LEU 375 N 1.12 4.84 -0.02 3.92 1.02 -0.37 -1.20 118.68 127.99 1p80 s LEU 375 Ca -0.05 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.48 1p80 s LEU 375 Cb -0.14 -2.39 0.05 0.00 0.02 0.00 0.00 46.19 43.73 1p80 s LEU 375 CO -0.02 -0.57 0.88 -0.46 0.02 0.00 0.00 176.35 176.20 1p80 n ASN 376 N 5.59 1.30 -3.68 2.29 6.94 -0.50 -3.67 115.26 123.53 1p80 n ASN 376 Ca -0.07 -1.89 -0.11 0.00 -0.02 0.00 0.00 54.58 52.49 1p80 n ASN 376 Cb 0.47 -0.09 -0.11 0.00 -2.36 0.00 0.00 39.78 37.70 1p80 n ASN 376 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1p80 s ARG 377 N -0.92 0.31 0.71 -3.83 0.52 -1.00 -5.01 118.95 109.74 1p80 s ARG 377 Ca 0.05 0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 55.98 1p80 s ARG 377 Cb 0.04 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.60 1p80 s ARG 377 CO 0.00 -0.21 1.07 -0.80 0.02 0.00 0.00 175.30 175.38 1p80 s ASN 378 N 1.91 5.28 1.02 0.23 0.01 -1.26 -0.33 114.94 121.80 1p80 s ASN 378 Ca -0.05 1.52 -0.12 0.00 -0.71 0.00 0.00 52.86 53.49 1p80 s ASN 378 Cb -0.10 -2.38 0.20 0.00 0.41 0.00 0.00 41.25 39.38 1p80 s ASN 378 CO -0.12 -1.50 1.08 -2.16 -1.51 0.00 0.00 177.10 172.90 1p80 s PRO 379 N -5.09 0.22 -0.13 -0.60 0.04 -1.26 -3.72 135.00 124.45 1p80 s PRO 379 Ca 0.58 0.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 1p80 s PRO 379 Cb -0.14 -1.71 -0.25 0.00 0.04 0.00 0.00 34.50 32.44 1p80 s PRO 379 CO 0.55 -2.89 0.31 -0.25 0.04 0.00 0.00 177.00 174.76 1p80 n ASP 380 N -4.29 2.10 -3.86 6.66 10.43 -1.26 -1.39 116.55 124.94 1p80 n ASP 380 Ca 0.05 0.20 -0.24 0.00 2.57 0.00 0.00 54.79 57.36 1p80 n ASP 380 Cb 0.57 -0.84 -0.17 0.00 1.84 0.00 0.00 41.12 42.52 1p80 n ASP 380 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1p80 s ASN 381 N -7.00 1.78 0.11 -2.24 3.84 -1.26 -4.67 114.94 105.50 1p80 s ASN 381 Ca -0.24 -0.20 -0.21 0.00 0.21 0.00 0.00 52.86 52.43 1p80 s ASN 381 Cb 0.07 -0.64 -0.10 0.00 -0.55 0.00 0.00 41.25 40.03 1p80 s ASN 381 CO 0.75 -0.13 1.75 0.15 -2.79 0.00 0.00 177.10 176.83 1p80 h PHE 382 N 8.05 0.11 0.18 0.43 3.57 -1.98 -1.76 116.94 125.54 1p80 h PHE 382 Ca -0.27 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1p80 h PHE 382 Cb 1.13 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1p80 h PHE 382 CO 0.48 0.07 -0.09 0.35 -2.23 0.00 0.00 178.31 176.89 1p80 h PHE 383 N 0.13 -0.23 -0.73 0.41 3.04 -1.96 0.58 116.94 118.18 1p80 h PHE 383 Ca 0.05 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1p80 h PHE 383 Cb 0.00 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1p80 h PHE 383 CO -0.09 -0.13 0.30 0.00 -2.02 0.00 0.00 178.31 176.37 1p80 h ALA 384 N 0.56 1.14 0.00 2.41 0.00 -1.93 -2.15 119.26 119.29 1p80 h ALA 384 Ca -0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 54.91 54.28 1p80 h ALA 384 Cb 0.20 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1p80 h ALA 384 CO 0.04 0.62 -2.49 0.39 0.00 0.00 0.00 179.25 177.81 1p80 n GLU 385 N -4.29 0.62 -0.06 0.00 1.02 -0.68 -4.26 120.64 112.99 1p80 n GLU 385 Ca 0.07 0.21 -0.02 0.00 -0.02 0.00 0.00 57.16 57.40 1p80 n GLU 385 Cb 0.18 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 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 -0.49 0.00 -0.92 1.62 -0.73 -1.08 -3.23 115.58 110.76 1p80 h ASN 386 Ca -0.63 -0.03 0.03 0.00 1.87 0.00 0.00 56.30 57.53 1p80 h ASN 386 Cb 1.76 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 40.30 1p80 h ASN 386 CO -0.25 0.61 0.61 -0.08 -0.37 0.00 0.00 177.43 177.94 1p80 h GLU 387 N -1.00 1.15 -0.00 6.67 4.57 -1.06 -1.49 114.58 123.43 1p80 h GLU 387 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1p80 h GLU 387 Cb 0.21 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1p80 h GLU 387 CO -0.00 0.76 -0.04 1.04 -1.18 0.00 0.00 179.01 179.59 1p80 n GLN 388 N -4.42 0.56 -2.13 1.92 6.02 -0.83 -4.89 117.38 113.61 1p80 n GLN 388 Ca 0.12 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 1p80 n GLN 388 Cb 0.07 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.49 3.51 -0.21 -1.58 0.00 -0.56 -4.89 121.76 115.52 1p80 s ALA 389 Ca 0.30 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1p80 s ALA 389 Cb 0.20 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1p80 s ALA 389 CO 0.46 -0.62 -0.07 0.00 0.00 0.00 0.00 175.76 175.53 1p80 s ALA 390 N -0.95 1.87 0.05 0.00 0.00 -1.26 -5.05 121.76 116.43 1p80 s ALA 390 Ca 0.50 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1p80 s ALA 390 Cb -0.39 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1p80 s ALA 390 CO 0.51 -1.01 0.08 -0.06 0.00 0.00 0.00 175.76 175.27 1p80 s PHE 391 N 1.44 3.21 -0.21 0.00 0.08 -1.26 -5.01 117.98 116.24 1p80 s PHE 391 Ca -0.03 0.11 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 1p80 s PHE 391 Cb -0.17 -1.65 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1p80 s PHE 391 CO -0.07 0.53 0.49 -1.58 -0.10 0.00 0.00 175.22 174.49 1p80 s HIS 392 N -1.32 -0.78 0.32 0.36 2.46 -1.26 -4.99 115.29 110.07 1p80 s HIS 392 Ca 0.27 1.58 0.38 0.00 0.47 0.00 0.00 55.06 57.76 1p80 s HIS 392 Cb -0.12 0.39 1.83 0.00 -0.13 0.00 0.00 32.58 34.55 1p80 s HIS 392 CO 0.19 -0.43 2.14 -1.00 -2.47 0.00 0.00 174.74 173.18 1p80 h PRO 393 N 7.30 0.00 0.00 2.88 0.13 -1.91 -1.50 132.00 138.90 1p80 h PRO 393 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1p80 h PRO 393 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1p80 h PRO 393 CO 0.23 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.41 1p80 n GLY 394 N -0.51 -1.37 3.57 1.56 0.00 -1.26 -4.47 105.19 102.71 1p80 n GLY 394 Ca -0.01 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.25 2.63 0.43 1.61 3.76 -0.57 -4.95 115.29 114.95 1p80 s HIS 395 Ca 0.06 -1.21 0.07 0.00 -0.15 0.00 0.00 55.06 53.84 1p80 s HIS 395 Cb 0.10 -4.67 -0.02 0.00 1.11 0.00 0.00 32.58 29.09 1p80 s HIS 395 CO 0.44 -1.81 0.33 0.96 -0.85 0.00 0.00 174.74 173.81 1p80 s ILE 396 N 5.04 2.46 0.21 0.60 -4.36 -1.26 -1.69 121.20 122.20 1p80 s ILE 396 Ca 0.53 -1.45 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 1p80 s ILE 396 Cb 0.02 -2.91 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 1p80 s ILE 396 CO 0.03 0.00 -0.05 0.68 0.24 0.00 0.00 174.94 175.84 1p80 s VAL 397 N -2.54 1.19 0.06 8.37 -7.23 -1.26 -4.83 120.40 114.16 1p80 s VAL 397 Ca 0.45 -2.06 -0.36 0.00 -1.81 0.00 0.00 61.98 58.20 1p80 s VAL 397 Cb -0.01 -2.18 -0.15 0.00 0.56 0.00 0.00 36.38 34.60 1p80 s VAL 397 CO 0.26 -0.47 1.54 -2.65 -0.31 0.00 0.00 175.10 173.47 1p80 n PRO 398 N -0.36 1.69 0.00 4.82 -0.02 -1.26 -1.60 135.00 138.27 1p80 n PRO 398 Ca -0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1p80 n PRO 398 Cb 0.63 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 3.27 1.25 3.29 -1.23 0.00 -1.26 -3.38 105.19 107.12 1p80 n GLY 399 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 2.46 0.24 0.99 1.43 -0.62 -1.06 118.68 122.11 1p80 s LEU 400 Ca 0.00 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 1p80 s LEU 400 Cb 0.00 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1p80 s LEU 400 CO 0.00 -0.14 0.61 -0.62 0.23 0.00 0.00 176.35 176.43 1p80 s ASP 401 N -2.75 -0.25 0.82 2.29 3.68 -0.19 -4.75 116.67 115.51 1p80 s ASP 401 Ca 0.14 -0.59 -0.05 0.00 2.13 0.00 0.00 52.55 54.18 1p80 s ASP 401 Cb -0.04 0.65 0.17 0.00 -1.45 0.00 0.00 42.92 42.25 1p80 s ASP 401 CO 0.04 -1.19 1.08 0.49 0.13 0.00 0.00 175.17 175.72 1p80 n PHE 402 N -0.40 -3.29 -4.43 -5.34 3.01 -1.26 -0.89 117.46 104.85 1p80 n PHE 402 Ca -0.06 -1.53 -0.23 0.00 1.01 0.00 0.00 57.45 56.63 1p80 n PHE 402 Cb 0.61 -0.81 -0.08 0.00 -0.01 0.00 0.00 39.48 39.19 1p80 n PHE 402 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1p80 s THR 403 N -3.28 0.42 -1.53 4.37 -4.23 -1.26 -4.41 115.64 105.72 1p80 s THR 403 Ca 0.68 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1p80 s THR 403 Cb -0.03 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.54 1p80 s THR 403 CO 0.46 0.00 0.95 0.59 -0.54 0.00 0.00 174.62 176.08 1p80 n ASN 404 N -1.30 1.23 -4.68 3.99 3.02 -1.26 -4.72 115.26 111.53 1p80 n ASN 404 Ca -0.02 -2.07 -0.56 0.00 -0.03 0.00 0.00 54.58 51.90 1p80 n ASN 404 Cb 0.64 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.00 2.20 0.23 6.41 -0.08 -1.26 -4.81 116.55 119.23 1p80 n ASP 405 Ca 0.05 1.09 0.15 0.00 -1.51 0.00 0.00 54.79 54.57 1p80 n ASP 405 Cb 0.25 -1.15 0.62 0.00 2.34 0.00 0.00 41.12 43.17 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 6.53 0.00 0.07 -0.67 0.13 -1.77 -0.52 132.00 135.77 1p80 h PRO 406 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 1p80 h PRO 406 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1p80 h PRO 406 CO 0.91 0.00 -0.77 1.25 -0.23 0.00 0.00 178.00 179.17 1p80 h LEU 407 N 0.00 0.22 -0.49 1.56 5.85 -1.85 -2.75 115.31 117.85 1p80 h LEU 407 Ca 0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1p80 h LEU 407 Cb 0.46 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1p80 h LEU 407 CO 0.00 1.34 0.32 0.25 -0.34 0.00 0.00 178.44 180.01 1p80 h LEU 408 N -0.66 0.57 -0.67 2.25 5.85 -1.83 -2.12 115.31 118.70 1p80 h LEU 408 Ca -0.17 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1p80 h LEU 408 Cb 1.41 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1p80 h LEU 408 CO 0.02 0.42 0.19 1.56 -0.34 0.00 0.00 178.44 180.29 1p80 h GLN 409 N 0.67 0.31 0.00 1.25 1.08 -1.23 -1.62 115.11 115.57 1p80 h GLN 409 Ca 0.18 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.22 1p80 h GLN 409 Cb -0.07 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1p80 h GLN 409 CO -0.04 0.20 -0.66 0.78 -0.95 0.00 0.00 178.83 178.16 1p80 h GLY 410 N 0.32 0.00 1.43 3.46 0.00 -1.54 -2.97 103.07 103.76 1p80 h GLY 410 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.70 1p80 h GLY 410 CO -0.42 0.00 0.37 3.21 0.00 0.00 0.00 176.54 179.70 1p80 h ARG 411 N 0.00 0.70 -0.48 4.80 3.08 -0.62 -2.27 114.38 119.60 1p80 h ARG 411 Ca -0.01 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.08 1p80 h ARG 411 Cb 1.21 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1p80 h ARG 411 CO 0.09 0.47 0.32 -0.07 -1.07 0.00 0.00 179.97 179.71 1p80 h LEU 412 N 0.72 0.29 0.14 3.04 3.38 -1.29 -2.19 115.31 119.41 1p80 h LEU 412 Ca 0.21 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.95 1p80 h LEU 412 Cb -0.04 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 40.67 1p80 h LEU 412 CO -0.05 0.18 -0.98 0.15 0.09 0.00 0.00 178.44 177.83 1p80 h PHE 413 N 0.33 0.72 -0.34 1.13 3.57 -1.56 -3.41 116.94 117.38 1p80 h PHE 413 Ca 0.22 -0.49 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 1p80 h PHE 413 Cb 0.42 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1p80 h PHE 413 CO -0.00 1.36 0.20 1.03 -2.23 0.00 0.00 178.31 178.67 1p80 h SER 414 N -0.12 0.42 -0.00 0.41 0.87 -1.18 -3.03 113.55 110.91 1p80 h SER 414 Ca -0.16 -0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.20 1p80 h SER 414 Cb 1.74 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 1p80 h SER 414 CO 0.19 0.36 -0.43 1.88 -0.53 0.00 0.00 176.83 178.30 1p80 h TYR 415 N 0.44 0.64 -0.03 2.24 0.99 -1.77 -0.74 116.97 118.74 1p80 h TYR 415 Ca 0.12 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1p80 h TYR 415 Cb 0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 36.73 37.62 1p80 h TYR 415 CO -0.03 0.87 0.02 1.15 -0.00 0.00 0.00 178.16 180.17 1p80 h THR 416 N 0.43 1.02 0.09 -2.88 2.02 -1.80 -2.57 112.91 109.22 1p80 h THR 416 Ca 0.03 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1p80 h THR 416 Cb 0.93 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1p80 h THR 416 CO 0.08 0.02 -0.10 -0.78 0.37 0.00 0.00 175.52 175.11 1p80 h ASP 417 N 0.02 -0.26 -0.01 4.18 3.58 -1.37 -2.76 116.42 119.81 1p80 h ASP 417 Ca 0.01 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1p80 h ASP 417 Cb 0.01 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1p80 h ASP 417 CO -0.00 -0.15 -0.08 0.00 -2.88 0.00 0.00 179.24 176.13 1p80 h THR 418 N -0.21 1.14 0.00 2.25 1.03 -1.11 -2.63 112.91 113.38 1p80 h THR 418 Ca 0.01 -0.61 -0.06 0.00 -0.01 0.00 0.00 66.41 65.74 1p80 h THR 418 Cb 0.21 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 1p80 h THR 418 CO -0.04 0.19 -0.26 1.56 -0.01 0.00 0.00 175.52 176.96 1p80 h GLN 419 N 0.21 0.00 -0.97 0.00 4.20 -1.16 -1.65 115.11 115.74 1p80 h GLN 419 Ca 0.05 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1p80 h GLN 419 Cb 0.28 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1p80 h GLN 419 CO 0.01 0.26 0.62 0.82 -0.67 0.00 0.00 178.83 179.88 1p80 h ILE 420 N 0.00 1.11 0.11 2.54 1.08 -1.38 -0.87 117.51 120.10 1p80 h ILE 420 Ca -0.00 -0.40 -0.35 0.00 -0.39 0.00 0.00 64.86 63.72 1p80 h ILE 420 Cb 0.58 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1p80 h ILE 420 CO 0.03 0.21 -1.90 -1.54 -0.69 0.00 0.00 178.15 174.27 1p80 n SER 421 N -4.51 2.10 -0.20 1.72 3.41 -1.07 -0.64 113.62 114.43 1p80 n SER 421 Ca 0.14 0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 58.94 1p80 n SER 421 Cb 0.15 -0.89 0.04 0.00 -0.26 0.00 0.00 64.21 63.26 1p80 n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1p80 h ARG 422 N -0.06 0.70 -0.39 4.33 2.43 -1.28 -2.93 114.38 117.18 1p80 h ARG 422 Ca -0.41 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1p80 h ARG 422 Cb 1.95 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1p80 h ARG 422 CO 0.06 0.47 0.00 1.28 -1.51 0.00 0.00 179.97 180.26 1p80 n LEU 423 N -4.73 4.50 -0.34 3.80 4.77 -0.34 -4.37 117.00 120.30 1p80 n LEU 423 Ca 0.04 -2.90 -0.04 0.00 -0.03 0.00 0.00 56.01 53.08 1p80 n LEU 423 Cb 0.05 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1p80 n LEU 423 CO 0.34 0.67 -0.04 0.61 -1.33 0.00 0.00 177.39 177.64 1p80 n GLY 424 N 0.02 0.69 0.00 -0.72 0.00 -1.11 -4.76 105.19 99.30 1p80 n GLY 424 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.74 -1.02 0.18 -0.02 0.00 0.18 -4.78 105.19 98.01 1p80 n GLY 425 Ca -0.04 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.53 0.95 -1.21 1.61 -0.04 -1.26 -3.77 135.00 130.75 1p80 n PRO 426 Ca 0.00 -0.37 -0.23 0.00 -0.04 0.00 0.00 63.50 62.86 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 -0.70 4.45 0.29 3.54 3.02 -1.26 -4.58 115.26 120.01 1p80 n ASN 427 Ca 0.17 -3.69 0.19 0.00 -0.03 0.00 0.00 54.58 51.22 1p80 n ASN 427 Cb 0.27 -0.81 0.85 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.27 0.00 0.00 3.10 -5.15 -1.86 -0.29 116.94 114.01 1p80 h PHE 428 Ca 0.55 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.32 1p80 h PHE 428 Cb 2.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.32 1p80 h PHE 428 CO 1.44 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 175.36 1p80 n HIS 429 N -3.05 0.24 1.01 6.09 1.44 -1.26 -2.12 115.22 117.57 1p80 n HIS 429 Ca -0.01 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 1p80 n HIS 429 Cb 0.23 -0.65 0.18 0.00 0.12 0.00 0.00 29.99 29.87 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 -1.72 0.06 -2.03 -1.40 1.02 -0.12 -3.29 120.64 113.15 1p80 n GLU 430 Ca 0.04 -0.04 -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 -2.97 2.96 0.24 -3.67 1.01 -0.90 -4.84 121.20 113.02 1p80 s ILE 431 Ca 0.11 0.66 -0.14 0.00 0.00 0.00 0.00 60.65 61.28 1p80 s ILE 431 Cb 0.17 -3.42 0.29 0.00 0.01 0.00 0.00 42.46 39.51 1p80 s ILE 431 CO 0.72 0.04 1.57 -0.65 0.00 0.00 0.00 174.94 176.63 1p80 h PRO 432 N 6.98 -0.03 -0.03 2.79 0.11 -1.89 -0.19 132.00 139.74 1p80 h PRO 432 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1p80 h PRO 432 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p80 h PRO 432 CO 0.90 -0.02 -0.02 0.97 -0.21 0.00 0.00 178.00 179.62 1p80 h ILE 433 N -0.03 1.04 0.00 4.15 6.09 -1.90 -2.28 117.51 124.58 1p80 h ILE 433 Ca 0.37 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.71 1p80 h ILE 433 Cb 0.62 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.95 1p80 h ILE 433 CO -0.91 0.05 -0.33 0.59 -3.07 0.00 0.00 178.15 174.47 1p80 n ASN 434 N -4.49 0.42 -4.76 2.19 3.02 -0.10 -4.93 115.26 106.61 1p80 n ASN 434 Ca -0.02 0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 1p80 n ASN 434 Cb 0.12 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -3.04 4.38 0.70 3.52 0.52 -0.86 -4.88 118.95 119.29 1p80 s ARG 435 Ca 0.11 2.15 -0.16 0.00 -0.52 0.00 0.00 55.73 57.31 1p80 s ARG 435 Cb 0.17 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.54 1p80 s ARG 435 CO 0.64 -0.20 1.20 -2.14 0.02 0.00 0.00 175.30 174.82 1p80 s PRO 436 N -1.10 2.35 0.01 3.54 0.02 -1.26 -4.93 135.00 133.62 1p80 s PRO 436 Ca 0.52 1.73 0.22 0.00 0.02 0.00 0.00 61.00 63.49 1p80 s PRO 436 Cb -0.38 -1.86 -0.17 0.00 0.02 0.00 0.00 34.50 32.10 1p80 s PRO 436 CO 0.46 -1.67 0.82 0.25 -0.33 0.00 0.00 177.00 176.54 1p80 n THR 437 N -2.50 0.05 -2.82 0.99 -2.24 -1.26 -4.91 114.28 101.59 1p80 n THR 437 Ca 0.13 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 1p80 n THR 437 Cb 0.50 0.46 0.02 0.00 -2.10 0.00 0.00 70.33 69.21 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 -4.64 3.27 -0.07 0.00 0.02 -1.26 -5.03 135.00 127.28 1p80 s PRO 439 Ca 0.53 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 63.77 1p80 s PRO 439 Cb -0.10 -2.33 0.04 0.00 0.02 0.00 0.00 34.50 32.12 1p80 s PRO 439 CO 0.38 -1.09 0.13 1.52 -0.33 0.00 0.00 177.00 177.60 1p80 s TYR 440 N -1.30 -0.11 -0.07 6.54 1.13 -1.26 -4.97 117.35 117.32 1p80 s TYR 440 Ca 0.69 0.48 -0.03 0.00 -1.41 0.00 0.00 57.07 56.80 1p80 s TYR 440 Cb -0.40 -0.29 0.04 0.00 -1.10 0.00 0.00 41.96 40.20 1p80 s TYR 440 CO 0.49 -0.23 0.15 -1.01 -2.51 0.00 0.00 175.55 172.44 1p80 s HIS 441 N 2.04 -0.17 0.03 -3.49 3.76 -1.26 -5.16 115.29 111.03 1p80 s HIS 441 Ca 0.01 0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1p80 s HIS 441 Cb -0.12 -0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.51 1p80 s HIS 441 CO -0.05 -0.16 0.08 0.27 -0.85 0.00 0.00 174.74 174.03 1p80 n ASN 442 N 4.11 -0.20 -1.27 1.40 0.23 -1.26 -4.94 115.26 113.34 1p80 n ASN 442 Ca -0.25 -1.13 0.10 0.00 -0.53 0.00 0.00 54.58 52.77 1p80 n ASN 442 Cb 0.52 0.33 0.30 0.00 -2.08 0.00 0.00 39.78 38.86 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 -0.06 0.98 -2.47 -2.53 3.01 -1.26 -4.93 117.46 110.20 1p80 n PHE 443 Ca -0.01 -0.53 -0.38 0.00 1.01 0.00 0.00 57.45 57.54 1p80 n PHE 443 Cb 0.06 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.18 4.34 0.15 -1.08 -0.21 -1.26 -4.69 119.66 115.73 1p80 s GLN 444 Ca 0.45 1.69 -0.05 0.00 0.02 0.00 0.00 55.36 57.47 1p80 s GLN 444 Cb 0.25 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 1p80 s GLN 444 CO 0.28 -0.03 0.18 1.03 -2.12 0.00 0.00 175.29 174.63 1p80 s ARG 445 N -2.03 1.07 3.26 2.91 1.81 -1.26 -5.08 118.95 119.64 1p80 s ARG 445 Ca 0.52 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 53.21 1p80 s ARG 445 Cb -0.28 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.54 1p80 s ARG 445 CO 0.35 -0.36 0.00 -0.25 -0.68 0.00 0.00 175.30 174.36 1p80 n ASP 446 N -0.17 -1.12 0.00 0.23 9.92 -1.26 -5.07 116.55 119.08 1p80 n ASP 446 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1p80 n ASP 446 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1p80 n ASP 446 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p80 n GLY 447 N 0.00 0.39 3.66 0.44 0.00 -1.26 -4.69 105.19 103.73 1p80 n GLY 447 Ca 0.00 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 0.66 1.57 -3.90 1.61 1.56 -1.26 -2.88 117.12 114.48 1p80 n MET 448 Ca 0.00 0.57 -0.25 0.00 -0.27 0.00 0.00 57.70 57.74 1p80 n MET 448 Cb 0.00 -2.25 -0.01 0.00 2.15 0.00 0.00 33.22 33.12 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 -0.56 -1.70 -2.41 1.12 -0.00 -1.26 -4.40 115.22 106.01 1p80 n HIS 449 Ca 0.09 0.73 -0.43 0.00 -0.00 0.00 0.00 57.72 58.11 1p80 n HIS 449 Cb 0.41 -3.80 -0.02 0.00 -0.00 0.00 0.00 29.99 26.58 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 -6.43 4.24 -0.22 1.57 6.06 -1.14 -4.90 118.95 118.13 1p80 s ARG 450 Ca 0.05 1.69 -0.20 0.00 -2.50 0.00 0.00 55.73 54.77 1p80 s ARG 450 Cb -0.02 -3.75 -0.18 0.00 0.06 0.00 0.00 34.95 31.07 1p80 s ARG 450 CO 0.88 -0.68 0.09 -1.33 -2.50 0.00 0.00 175.30 171.75 1p80 n MET 451 N 6.45 0.57 -1.90 5.12 2.81 -1.26 -4.94 117.12 123.97 1p80 n MET 451 Ca 0.14 0.51 -0.42 0.00 -1.81 0.00 0.00 57.70 56.11 1p80 n MET 451 Cb 0.45 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 1p80 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p80 s GLY 452 N -5.01 1.59 -0.48 3.03 0.00 -1.26 -4.96 107.32 100.23 1p80 s GLY 452 Ca -0.31 1.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.70 1p80 s GLY 452 CO 0.57 2.64 0.37 -0.42 0.00 0.00 0.00 173.10 176.26 1p80 s ILE 453 N 1.02 4.57 0.07 0.90 1.01 -1.26 -4.97 121.20 122.54 1p80 s ILE 453 Ca 0.70 -1.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1p80 s ILE 453 Cb -0.45 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1p80 s ILE 453 CO 0.33 -0.72 1.14 -1.81 0.00 0.00 0.00 174.94 173.88 1p80 s ASP 454 N 2.77 7.16 0.00 3.58 1.11 -1.26 -4.92 116.67 125.11 1p80 s ASP 454 Ca 0.04 1.96 0.19 0.00 0.18 0.00 0.00 52.55 54.93 1p80 s ASP 454 Cb -0.26 -2.58 -0.19 0.00 1.07 0.00 0.00 42.92 40.96 1p80 s ASP 454 CO 0.02 -0.39 0.85 0.35 1.18 0.00 0.00 175.17 177.17 1p80 n THR 455 N 3.65 0.00 -1.67 -1.27 -2.24 -1.26 -4.97 114.28 106.53 1p80 n THR 455 Ca 0.07 -0.07 -0.46 0.00 -2.27 0.00 0.00 64.05 61.33 1p80 n THR 455 Cb 0.47 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.29 3.07 0.02 3.42 2.85 -1.26 -4.84 115.26 117.23 1p80 n ASN 456 Ca 0.04 1.09 0.12 0.00 -0.11 0.00 0.00 54.58 55.72 1p80 n ASN 456 Cb 0.32 -1.43 0.57 0.00 1.24 0.00 0.00 39.78 40.48 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 5.68 0.23 -5.91 1.20 0.11 -1.93 -3.41 132.00 127.97 1p80 h PRO 457 Ca -0.45 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 64.98 1p80 h PRO 457 Cb 1.26 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1p80 h PRO 457 CO 0.87 0.15 -0.57 0.00 -0.21 0.00 0.00 178.00 178.25 1p80 s ALA 458 N -5.24 3.57 -0.16 -0.75 0.00 -1.26 -4.99 121.76 112.92 1p80 s ALA 458 Ca -0.06 -0.80 0.14 0.00 0.00 0.00 0.00 51.96 51.24 1p80 s ALA 458 Cb 0.19 -1.64 0.37 0.00 0.00 0.00 0.00 23.12 22.04 1p80 s ALA 458 CO 0.72 0.65 1.19 0.27 0.00 0.00 0.00 175.76 178.59 1p80 n ASN 459 N 1.65 1.76 -3.64 0.00 2.04 -1.26 -4.99 115.26 110.81 1p80 n ASN 459 Ca -0.16 -3.46 -0.11 0.00 -0.44 0.00 0.00 54.58 50.41 1p80 n ASN 459 Cb 0.53 -0.47 -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 -2.76 -0.21 -0.03 -2.53 -0.85 -1.26 -4.81 117.35 104.90 1p80 s TYR 460 Ca 0.35 -0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.77 1p80 s TYR 460 Cb 0.33 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.93 1p80 s TYR 460 CO -0.05 -0.69 0.12 -1.83 -1.52 0.00 0.00 175.55 171.58 1p80 s GLU 461 N -3.66 0.26 0.42 -3.49 4.04 -1.26 -4.08 118.70 110.92 1p80 s GLU 461 Ca 0.02 -0.05 -0.23 0.00 0.04 0.00 0.00 54.97 54.75 1p80 s GLU 461 Cb 0.02 0.11 -0.09 0.00 0.02 0.00 0.00 34.13 34.19 1p80 s GLU 461 CO -0.11 -0.05 1.06 -1.25 -1.84 0.00 0.00 175.26 173.07 1p80 s PRO 462 N -0.46 4.07 0.06 -4.83 0.04 -1.26 -5.20 135.00 127.43 1p80 s PRO 462 Ca -0.05 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1p80 s PRO 462 Cb -0.04 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1p80 s PRO 462 CO 0.00 -0.22 -0.08 0.54 0.04 0.00 0.00 177.00 177.29 1p80 s ASN 463 N -1.61 1.00 -0.03 6.66 2.20 -1.26 -5.03 114.94 116.88 1p80 s ASN 463 Ca 0.60 -0.71 0.15 0.00 -0.94 0.00 0.00 52.86 51.96 1p80 s ASN 463 Cb -0.22 0.05 -0.23 0.00 -2.00 0.00 0.00 41.25 38.85 1p80 s ASN 463 CO 0.27 -0.28 0.31 -1.54 -2.94 0.00 0.00 177.10 172.92 1p80 n SER 464 N 0.94 1.57 0.21 3.54 3.41 -1.26 -1.84 113.62 120.19 1p80 n SER 464 Ca -0.19 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.57 1p80 n SER 464 Cb 0.57 1.62 0.57 0.00 -0.26 0.00 0.00 64.21 66.71 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 0.00 0.00 -1.33 3.07 -1.98 -1.97 117.51 115.30 1p80 h ILE 465 Ca -0.03 -0.44 -0.02 0.00 1.55 0.00 0.00 64.86 65.93 1p80 h ILE 465 Cb 0.77 1.34 -0.03 0.00 -0.27 0.00 0.00 36.82 38.63 1p80 h ILE 465 CO 0.00 0.00 -0.31 -3.20 -1.05 0.00 0.00 178.15 173.59 1p80 n ASN 466 N -2.73 1.71 -3.25 2.16 5.15 -1.26 -4.88 115.26 112.16 1p80 n ASN 466 Ca 0.02 -3.09 -0.23 0.00 -0.60 0.00 0.00 54.58 50.68 1p80 n ASN 466 Cb 0.30 -0.42 0.02 0.00 -0.53 0.00 0.00 39.78 39.15 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 -0.97 -4.80 -1.27 1.20 2.03 -0.74 -2.27 116.55 109.72 1p80 n ASP 467 Ca 0.14 -0.37 -0.16 0.00 0.52 0.00 0.00 54.79 54.92 1p80 n ASP 467 Cb 0.71 -3.92 -0.06 0.00 -0.72 0.00 0.00 41.12 37.13 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 -2.42 -4.86 -4.89 1.67 5.15 -0.77 -5.00 115.26 104.14 1p80 n ASN 468 Ca -0.05 0.34 -0.32 0.00 -0.60 0.00 0.00 54.58 53.94 1p80 n ASN 468 Cb 0.57 -3.77 -0.05 0.00 -0.53 0.00 0.00 39.78 36.00 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 -2.61 3.50 0.47 1.20 0.52 -0.96 -3.68 118.94 117.38 1p80 s TRP 469 Ca 0.00 0.67 -0.22 0.00 0.02 0.00 0.00 56.10 56.57 1p80 s TRP 469 Cb 0.00 -2.09 -0.07 0.00 -1.15 0.00 0.00 33.47 30.16 1p80 s TRP 469 CO 0.00 0.43 1.15 -1.25 0.02 0.00 0.00 176.95 177.30 1p80 s PRO 470 N -2.47 3.71 0.17 4.98 0.04 -1.26 -4.90 135.00 135.27 1p80 s PRO 470 Ca 0.40 1.72 0.06 0.00 0.04 0.00 0.00 61.00 63.22 1p80 s PRO 470 Cb -0.12 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1p80 s PRO 470 CO 0.22 -0.58 0.10 1.03 0.04 0.00 0.00 177.00 177.81 1p80 s ARG 471 N -2.81 2.75 0.72 4.56 0.52 -1.24 -5.03 118.95 118.42 1p80 s ARG 471 Ca 0.65 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.75 1p80 s ARG 471 Cb -0.27 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.69 1p80 s ARG 471 CO 0.32 0.47 1.19 -1.21 0.02 0.00 0.00 175.30 176.10 1p80 s GLU 472 N -3.11 2.21 -0.08 3.54 2.02 -1.26 -5.04 118.70 116.98 1p80 s GLU 472 Ca 0.30 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.01 1p80 s GLU 472 Cb -0.10 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.31 1p80 s GLU 472 CO 0.22 -1.77 -0.06 0.99 0.02 0.00 0.00 175.26 174.66 1p80 s THR 473 N -2.03 0.78 0.75 3.63 2.01 -1.26 -5.08 115.64 114.45 1p80 s THR 473 Ca 0.73 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 1p80 s THR 473 Cb -0.28 -0.81 0.04 0.00 0.01 0.00 0.00 72.50 71.46 1p80 s THR 473 CO 0.45 0.31 1.13 -2.65 -0.69 0.00 0.00 174.62 173.16 1p80 n PRO 474 N 4.51 0.46 -1.89 4.92 -0.02 -1.26 -2.07 135.00 139.65 1p80 n PRO 474 Ca -0.17 0.22 -0.35 0.00 -2.02 0.00 0.00 63.50 61.18 1p80 n PRO 474 Cb 0.51 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -3.71 2.81 0.10 0.52 0.04 -1.26 -1.65 135.00 131.85 1p80 s PRO 475 Ca 0.75 1.79 -0.25 0.00 0.04 0.00 0.00 61.00 63.33 1p80 s PRO 475 Cb -0.32 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.39 1p80 s PRO 475 CO 0.49 -1.32 1.14 0.20 0.04 0.00 0.00 177.00 177.54 1p80 s GLY 476 N -1.74 0.00 0.37 0.56 0.00 -1.26 -4.80 107.32 100.46 1p80 s GLY 476 Ca 0.76 -0.16 0.07 0.00 0.00 0.00 0.00 44.72 45.39 1p80 s GLY 476 CO 0.36 3.55 1.94 -2.55 0.00 0.00 0.00 173.10 176.40 1p80 h PRO 477 N 2.00 0.44 -3.19 2.90 0.11 -1.95 -3.40 132.00 128.91 1p80 h PRO 477 Ca -0.26 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 1p80 h PRO 477 Cb 1.20 -0.07 -0.24 0.00 0.11 0.00 0.00 31.00 32.00 1p80 h PRO 477 CO 0.34 0.45 -0.42 -1.59 -0.21 0.00 0.00 178.00 176.56 1p80 s LYS 478 N -5.04 0.36 -1.33 1.05 0.00 -1.26 -4.84 119.74 108.67 1p80 s LYS 478 Ca -0.07 0.16 -0.04 0.00 0.00 0.00 0.00 55.97 56.02 1p80 s LYS 478 Cb 0.16 0.17 0.02 0.00 0.00 0.00 0.00 37.83 38.18 1p80 s LYS 478 CO 0.75 -0.06 0.29 0.54 0.00 0.00 0.00 175.35 176.87 1p80 n ARG 479 N 2.52 -3.17 -3.01 1.78 5.12 -1.26 -4.97 116.66 113.67 1p80 n ARG 479 Ca -0.15 0.69 -0.18 0.00 -1.93 0.00 0.00 57.85 56.28 1p80 n ARG 479 Cb 0.58 -5.39 0.03 0.00 -1.16 0.00 0.00 32.46 26.51 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 -2.40 1.88 0.64 -0.13 0.00 -1.26 -4.96 107.32 101.08 1p80 s GLY 480 Ca 0.19 -1.82 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 1p80 s GLY 480 CO 0.24 -1.55 1.04 -0.32 0.00 0.00 0.00 173.10 172.51 1p80 s GLY 481 N -4.45 1.80 0.08 0.20 0.00 -0.66 -4.80 107.32 99.48 1p80 s GLY 481 Ca 0.57 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 1p80 s GLY 481 CO 0.35 0.41 1.08 -0.12 0.00 0.00 0.00 173.10 174.82 1p80 s PHE 482 N -2.91 3.59 -0.03 1.90 5.36 -1.26 -4.03 117.98 120.59 1p80 s PHE 482 Ca 0.58 1.56 0.02 0.00 -0.96 0.00 0.00 56.93 58.13 1p80 s PHE 482 Cb -0.13 -3.24 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 1p80 s PHE 482 CO 0.49 -0.53 -0.08 -2.00 -1.46 0.00 0.00 175.22 171.64 1p80 s GLU 483 N 0.57 0.93 0.45 10.12 2.12 -1.26 -4.95 118.70 126.68 1p80 s GLU 483 Ca 0.53 -0.24 -0.22 0.00 0.36 0.00 0.00 54.97 55.40 1p80 s GLU 483 Cb -0.26 -0.87 -0.09 0.00 0.26 0.00 0.00 34.13 33.17 1p80 s GLU 483 CO 0.30 0.05 1.04 -1.12 -0.54 0.00 0.00 175.26 175.00 1p80 s SER 484 N 0.40 6.52 0.19 -1.70 0.01 -1.26 -4.98 113.70 112.88 1p80 s SER 484 Ca -0.06 1.97 -0.31 0.00 1.31 0.00 0.00 55.95 58.86 1p80 s SER 484 Cb -0.10 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1p80 s SER 484 CO 0.01 -0.66 1.57 -0.47 0.41 0.00 0.00 173.24 174.10 1p80 s TYR 485 N -1.85 3.01 -1.48 2.43 5.04 -1.26 -4.86 117.35 118.39 1p80 s TYR 485 Ca 0.63 0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 55.79 1p80 s TYR 485 Cb -0.19 -3.95 -0.02 0.00 0.35 0.00 0.00 41.96 38.15 1p80 s TYR 485 CO 0.23 -3.45 2.49 1.04 -1.34 0.00 0.00 175.55 174.52 1p80 n GLN 486 N 3.61 3.09 -2.06 4.97 6.02 -1.26 -4.94 117.38 126.81 1p80 n GLN 486 Ca 0.13 -2.38 -0.41 0.00 -0.01 0.00 0.00 57.00 54.33 1p80 n GLN 486 Cb 0.38 -3.06 -0.02 0.00 1.02 0.00 0.00 30.24 28.56 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 2.90 4.28 0.05 -1.09 2.12 -1.26 -4.98 118.70 120.73 1p80 s GLU 487 Ca 0.56 2.26 -0.31 0.00 0.36 0.00 0.00 54.97 57.85 1p80 s GLU 487 Cb 0.15 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 1p80 s GLU 487 CO -0.07 -0.27 1.18 0.50 -0.54 0.00 0.00 175.26 176.06 1p80 s ARG 488 N -1.88 4.44 -0.10 4.30 6.06 -1.26 -5.04 118.95 125.47 1p80 s ARG 488 Ca 0.50 1.74 0.03 0.00 -2.50 0.00 0.00 55.73 55.50 1p80 s ARG 488 Cb -0.41 -3.36 -0.01 0.00 0.06 0.00 0.00 34.95 31.24 1p80 s ARG 488 CO 0.54 -0.24 -0.20 0.08 -2.50 0.00 0.00 175.30 172.98 1p80 s VAL 489 N 1.06 2.42 -0.26 7.11 1.01 -1.26 -5.11 120.40 125.37 1p80 s VAL 489 Ca 0.58 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1p80 s VAL 489 Cb -0.29 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.25 1p80 s VAL 489 CO 0.29 0.55 0.57 -0.70 0.00 0.00 0.00 175.10 175.82 1p80 s GLU 490 N 0.24 0.52 0.00 2.72 2.12 -1.26 -5.15 118.70 117.88 1p80 s GLU 490 Ca -0.13 1.25 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1p80 s GLU 490 Cb -0.16 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1p80 s GLU 490 CO 0.07 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1p80 n GLY 491 N 5.15 0.17 3.92 -1.50 0.00 -1.26 -5.14 105.19 106.53 1p80 n GLY 491 Ca -0.13 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 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 5.89 -0.53 1.61 0.01 -1.26 -5.00 114.94 115.67 1p80 s ASN 492 Ca 0.00 0.65 -0.28 0.00 -0.71 0.00 0.00 52.86 52.52 1p80 s ASN 492 Cb 0.00 -1.84 0.01 0.00 0.41 0.00 0.00 41.25 39.83 1p80 s ASN 492 CO 0.00 -0.78 1.51 -0.54 -1.51 0.00 0.00 177.10 175.78 1p80 s LYS 493 N -4.76 3.25 0.07 -0.60 1.02 -1.26 -4.97 119.74 112.49 1p80 s LYS 493 Ca 0.50 0.63 0.04 0.00 0.02 0.00 0.00 55.97 57.16 1p80 s LYS 493 Cb -0.10 -4.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.03 1p80 s LYS 493 CO 0.43 -1.98 -0.12 0.14 -0.92 0.00 0.00 175.35 172.90 1p80 s VAL 494 N 6.45 0.90 -0.82 3.17 -7.23 -1.26 -5.07 120.40 116.54 1p80 s VAL 494 Ca 0.58 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1p80 s VAL 494 Cb -0.13 -0.96 0.21 0.00 0.56 0.00 0.00 36.38 36.06 1p80 s VAL 494 CO 0.26 -0.32 0.71 -0.13 -0.31 0.00 0.00 175.10 175.31 1p80 s ARG 495 N -1.84 3.30 -0.09 4.82 0.52 -1.26 -5.01 118.95 119.39 1p80 s ARG 495 Ca -0.03 -2.74 -0.09 0.00 -0.52 0.00 0.00 55.73 52.34 1p80 s ARG 495 Cb -0.09 -4.14 0.02 0.00 0.52 0.00 0.00 34.95 31.26 1p80 s ARG 495 CO 0.01 -1.24 0.26 -2.00 0.02 0.00 0.00 175.30 172.35 1p80 s GLU 496 N -0.39 0.34 0.16 3.54 2.12 -1.26 -5.14 118.70 118.07 1p80 s GLU 496 Ca 0.21 0.27 -0.26 0.00 0.36 0.00 0.00 54.97 55.55 1p80 s GLU 496 Cb -0.13 0.16 -0.08 0.00 0.26 0.00 0.00 34.13 34.35 1p80 s GLU 496 CO -0.08 -0.05 0.80 0.50 -0.54 0.00 0.00 175.26 175.89 1p80 s ARG 497 N -0.07 4.60 0.27 4.30 6.06 -1.26 -5.01 118.95 127.84 1p80 s ARG 497 Ca -0.02 1.20 -0.30 0.00 -2.50 0.00 0.00 55.73 54.11 1p80 s ARG 497 Cb -0.02 -3.28 -0.10 0.00 0.06 0.00 0.00 34.95 31.61 1p80 s ARG 497 CO 0.01 0.53 1.33 0.45 -2.50 0.00 0.00 175.30 175.12 1p80 s SER 498 N -1.03 6.82 0.55 -2.12 0.15 -1.26 -4.88 113.70 111.93 1p80 s SER 498 Ca 0.37 2.56 0.24 0.00 0.70 0.00 0.00 55.95 59.82 1p80 s SER 498 Cb -0.23 -2.63 1.47 0.00 -1.71 0.00 0.00 66.02 62.92 1p80 s SER 498 CO 0.27 -0.55 2.11 -0.65 1.20 0.00 0.00 173.24 175.62 1p80 h PRO 499 N 4.45 0.00 0.00 5.44 0.11 -2.00 0.39 132.00 140.40 1p80 h PRO 499 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.72 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1p80 n SER 500 N -4.21 0.49 -0.33 -2.05 3.41 -1.26 -1.81 113.62 107.86 1p80 n SER 500 Ca 0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1p80 n SER 500 Cb 0.30 -0.76 0.22 0.00 -0.26 0.00 0.00 64.21 63.71 1p80 n SER 500 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1p80 n PHE 501 N -2.10 0.00 -1.44 7.33 3.01 0.13 -4.32 117.46 120.07 1p80 n PHE 501 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 1p80 n PHE 501 Cb 0.13 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 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 1.38 4.15 2.67 1.37 0.00 -0.75 -4.75 105.19 109.26 1p80 n GLY 502 Ca 0.11 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.46 -0.03 0.00 1.61 -6.30 -1.26 -5.07 118.70 107.18 1p80 s GLU 503 Ca 0.61 0.28 0.02 0.00 -2.50 0.00 0.00 54.97 53.38 1p80 s GLU 503 Cb 0.31 -0.83 -0.01 0.00 0.00 0.00 0.00 34.13 33.59 1p80 s GLU 503 CO -0.12 -0.42 0.16 0.66 0.02 0.00 0.00 175.26 175.56 1p80 n TYR 504 N 5.30 0.00 0.09 5.30 4.01 -1.26 -4.86 117.16 125.74 1p80 n TYR 504 Ca -0.04 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1p80 n TYR 504 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.84 0.00 -0.01 -0.72 4.01 -1.26 -4.58 117.16 113.76 1p80 n TYR 505 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1p80 n TYR 505 Cb 0.03 -0.08 0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.61 -0.16 7.72 4.64 -1.89 -1.80 113.55 122.68 1p80 h SER 506 Ca 0.00 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 60.91 1p80 h SER 506 Cb 0.20 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1p80 h SER 506 CO 0.00 0.95 -0.41 0.45 -0.87 0.00 0.00 176.83 176.95 1p80 h HIS 507 N 0.47 0.72 -0.96 4.77 3.86 -1.90 -0.92 115.15 121.19 1p80 h HIS 507 Ca 0.04 -0.28 0.11 0.00 -1.16 0.00 0.00 60.37 59.08 1p80 h HIS 507 Cb 0.92 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 29.18 1p80 h HIS 507 CO 0.04 1.03 0.59 -1.35 0.86 0.00 0.00 177.93 179.10 1p80 h PRO 508 N 0.21 0.92 -0.34 2.45 0.11 -1.80 -0.24 132.00 133.30 1p80 h PRO 508 Ca -0.01 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.88 1p80 h PRO 508 Cb 1.03 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1p80 h PRO 508 CO 0.09 0.61 -0.44 -0.09 -0.21 0.00 0.00 178.00 177.96 1p80 h ARG 509 N 0.94 0.91 -0.48 1.05 2.43 -1.15 -0.84 114.38 117.24 1p80 h ARG 509 Ca 0.47 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1p80 h ARG 509 Cb 0.45 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1p80 h ARG 509 CO -0.26 1.16 0.31 1.25 -1.51 0.00 0.00 179.97 180.92 1p80 h LEU 510 N 0.71 0.52 -0.01 3.80 5.85 -0.43 -0.78 115.31 124.97 1p80 h LEU 510 Ca 0.04 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1p80 h LEU 510 Cb 1.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1p80 h LEU 510 CO 0.10 0.37 -0.04 0.15 -0.34 0.00 0.00 178.44 178.69 1p80 h PHE 511 N 0.62 -0.10 -0.45 1.25 3.04 -0.89 -2.32 116.94 118.08 1p80 h PHE 511 Ca 0.18 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.19 1p80 h PHE 511 Cb -0.04 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.47 1p80 h PHE 511 CO -0.05 -0.06 0.18 2.35 -2.02 0.00 0.00 178.31 178.71 1p80 h TRP 512 N -0.07 0.33 0.00 0.41 2.91 -0.62 -2.11 115.95 116.80 1p80 h TRP 512 Ca 0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1p80 h TRP 512 Cb 0.10 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 1p80 h TRP 512 CO -0.12 0.13 0.00 -0.07 -1.03 0.00 0.00 178.44 177.35 1p80 h LEU 513 N 0.37 0.00 0.00 0.65 3.38 -1.04 -2.85 115.31 115.82 1p80 h LEU 513 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1p80 h LEU 513 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1p80 h LEU 513 CO -0.19 0.00 -0.28 -1.20 0.09 0.00 0.00 178.44 176.86 1p80 n SER 514 N -2.83 0.33 -4.83 -0.43 7.64 -0.80 -4.84 113.62 107.85 1p80 n SER 514 Ca 0.01 0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.69 1p80 n SER 514 Cb 0.29 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 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 -3.02 4.15 0.95 1.43 -1.52 -1.08 -4.26 119.66 116.32 1p80 s GLN 515 Ca 0.12 0.87 -0.12 0.00 -1.95 0.00 0.00 55.36 54.28 1p80 s GLN 515 Cb 0.17 -2.48 0.16 0.00 -0.22 0.00 0.00 33.01 30.65 1p80 s GLN 515 CO 0.63 0.16 1.09 0.95 -0.25 0.00 0.00 175.29 177.87 1p80 s THR 516 N -1.92 2.39 0.22 -0.19 -4.23 -1.26 -4.76 115.64 105.88 1p80 s THR 516 Ca 0.54 0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1p80 s THR 516 Cb -0.12 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1p80 s THR 516 CO 0.17 -0.16 1.82 -0.65 -0.54 0.00 0.00 174.62 175.26 1p80 h PRO 517 N -1.76 0.74 -0.07 3.99 0.11 -1.97 0.86 132.00 133.89 1p80 h PRO 517 Ca -0.52 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.39 1p80 h PRO 517 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1p80 h PRO 517 CO 0.55 0.49 -0.63 0.27 -0.21 0.00 0.00 178.00 178.47 1p80 h PHE 518 N 0.76 0.36 -0.70 0.65 -0.00 -1.97 -1.46 116.94 114.57 1p80 h PHE 518 Ca 0.33 -0.14 -0.06 0.00 -0.00 0.00 0.00 57.97 58.10 1p80 h PHE 518 Cb 0.21 -0.06 -0.03 0.00 -0.00 0.00 0.00 35.95 36.07 1p80 h PHE 518 CO -0.07 0.83 0.20 0.93 -0.00 0.00 0.00 178.31 180.20 1p80 h GLU 519 N 0.20 1.11 -0.76 6.09 5.08 -1.68 -2.06 114.58 122.56 1p80 h GLU 519 Ca -0.01 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1p80 h GLU 519 Cb 1.15 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1p80 h GLU 519 CO 0.10 0.96 0.35 1.96 -1.00 0.00 0.00 179.01 181.38 1p80 h GLN 520 N 1.04 1.11 -0.60 2.33 4.20 -0.61 -1.69 115.11 120.89 1p80 h GLN 520 Ca 0.22 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1p80 h GLN 520 Cb 0.33 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1p80 h GLN 520 CO -0.00 0.88 0.39 -0.09 -0.67 0.00 0.00 178.83 179.33 1p80 h ARG 521 N 1.08 0.75 -0.23 1.46 9.65 -0.82 -1.27 114.38 125.00 1p80 h ARG 521 Ca 0.26 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1p80 h ARG 521 Cb 0.15 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1p80 h ARG 521 CO -0.03 0.50 -0.16 0.45 2.80 0.00 0.00 179.97 183.53 1p80 h HIS 522 N 0.78 0.43 -0.23 2.20 3.86 -1.05 -0.51 115.15 120.63 1p80 h HIS 522 Ca 0.23 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1p80 h HIS 522 Cb -0.04 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1p80 h HIS 522 CO -0.04 0.55 0.09 0.82 0.86 0.00 0.00 177.93 180.21 1p80 h ILE 523 N 0.37 1.16 -0.30 2.45 2.04 -0.77 0.77 117.51 123.23 1p80 h ILE 523 Ca 0.07 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1p80 h ILE 523 Cb 0.50 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1p80 h ILE 523 CO 0.03 0.16 0.07 0.58 0.00 0.00 0.00 178.15 179.00 1p80 h VAL 524 N 0.21 0.87 -0.31 1.67 2.07 -0.88 -1.18 116.25 118.70 1p80 h VAL 524 Ca 0.08 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1p80 h VAL 524 Cb 0.17 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1p80 h VAL 524 CO -0.01 0.03 -0.02 0.44 0.02 0.00 0.00 177.57 178.04 1p80 h ASP 525 N 0.19 0.45 0.21 0.57 3.45 -0.95 -0.67 116.42 119.66 1p80 h ASP 525 Ca 0.14 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1p80 h ASP 525 Cb 0.14 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1p80 h ASP 525 CO -0.17 0.53 -0.10 1.23 -1.57 0.00 0.00 179.24 179.15 1p80 h GLY 526 N 0.81 -0.30 0.78 2.75 0.00 -0.03 -0.62 103.07 106.47 1p80 h GLY 526 Ca 0.10 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.58 1p80 h GLY 526 CO 0.01 -0.11 0.32 0.74 0.00 0.00 0.00 176.54 177.50 1p80 h PHE 527 N -0.52 0.59 -0.37 5.60 0.04 -1.19 -1.82 116.94 119.26 1p80 h PHE 527 Ca -0.03 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1p80 h PHE 527 Cb 0.39 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1p80 h PHE 527 CO 0.00 0.31 0.22 0.77 -0.60 0.00 0.00 178.31 179.01 1p80 h SER 528 N 0.61 0.45 -0.13 2.17 0.02 -1.02 -0.55 113.55 115.11 1p80 h SER 528 Ca 0.24 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1p80 h SER 528 Cb 0.09 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1p80 h SER 528 CO -0.13 0.37 0.03 0.15 -1.14 0.00 0.00 176.83 176.11 1p80 h PHE 529 N 0.48 0.22 -0.18 3.45 3.04 -0.97 -2.07 116.94 120.90 1p80 h PHE 529 Ca 0.13 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1p80 h PHE 529 Cb 0.01 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1p80 h PHE 529 CO -0.04 0.37 0.10 0.93 -2.02 0.00 0.00 178.31 177.65 1p80 h GLU 530 N 0.00 0.25 0.00 1.11 5.08 -1.20 -2.66 114.58 117.17 1p80 h GLU 530 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1p80 h GLU 530 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1p80 h GLU 530 CO 0.00 0.25 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.07 1p80 h LEU 531 N 0.19 0.00 -1.67 1.33 4.07 -1.12 -1.06 115.31 117.05 1p80 h LEU 531 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1p80 h LEU 531 Cb 0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 1p80 h LEU 531 CO -0.01 0.11 -0.06 0.28 -1.08 0.00 0.00 178.44 177.68 1p80 h SER 532 N 0.00 0.00 -0.00 -0.43 0.02 -1.00 -2.23 113.55 109.91 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 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1p80 h SER 532 CO 0.01 0.06 -0.02 0.29 -1.14 0.00 0.00 176.83 176.03 1p80 n LYS 533 N -3.23 1.78 -2.87 3.45 4.76 -0.41 -4.81 118.16 116.83 1p80 n LYS 533 Ca -0.00 -1.18 -0.42 0.00 -2.87 0.00 0.00 58.31 53.83 1p80 n LYS 533 Cb 0.29 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1p80 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p80 s VAL 534 N -2.04 4.83 0.18 -0.18 1.01 -0.84 -4.57 120.40 118.79 1p80 s VAL 534 Ca 0.34 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.94 1p80 s VAL 534 Cb 0.21 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1p80 s VAL 534 CO 0.34 -0.07 1.45 0.58 0.00 0.00 0.00 175.10 177.40 1p80 h VAL 535 N 5.40 1.39 -3.61 2.92 2.07 -1.87 -3.42 116.25 119.13 1p80 h VAL 535 Ca -0.23 -2.15 -0.63 0.00 0.82 0.00 0.00 66.70 64.51 1p80 h VAL 535 Cb 1.09 2.12 -0.13 0.00 -1.52 0.00 0.00 31.29 32.86 1p80 h VAL 535 CO 0.88 0.64 0.34 -0.13 0.02 0.00 0.00 177.57 179.32 1p80 s ARG 536 N -3.61 3.47 0.48 1.57 0.52 -1.26 -4.95 118.95 115.17 1p80 s ARG 536 Ca -0.05 -0.04 0.15 0.00 -0.52 0.00 0.00 55.73 55.28 1p80 s ARG 536 Cb 0.11 -3.91 1.15 0.00 0.52 0.00 0.00 34.95 32.81 1p80 s ARG 536 CO 0.83 -1.05 2.06 -1.35 0.02 0.00 0.00 175.30 175.81 1p80 h PRO 537 N 8.87 0.21 -0.10 3.54 0.11 -1.98 -1.99 132.00 140.66 1p80 h PRO 537 Ca -0.25 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1p80 h PRO 537 Cb 1.09 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1p80 h PRO 537 CO 0.94 0.14 -0.07 0.10 -0.21 0.00 0.00 178.00 178.90 1p80 h TYR 538 N 0.22 0.15 -0.61 0.65 -0.00 -1.97 -1.27 116.97 114.13 1p80 h TYR 538 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 58.73 58.80 1p80 h TYR 538 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 36.98 1p80 h TYR 538 CO -0.00 0.23 0.12 0.82 -0.00 0.00 0.00 178.16 179.33 1p80 h ILE 539 N 0.15 1.26 -0.52 -0.90 2.04 -1.77 -0.69 117.51 117.07 1p80 h ILE 539 Ca 0.03 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1p80 h ILE 539 Cb 0.23 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1p80 h ILE 539 CO 0.01 0.36 0.34 0.03 0.00 0.00 0.00 178.15 178.89 1p80 h ARG 540 N 0.91 0.68 -0.77 2.37 3.08 -1.33 -1.70 114.38 117.61 1p80 h ARG 540 Ca 0.19 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1p80 h ARG 540 Cb 0.40 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1p80 h ARG 540 CO 0.01 0.45 0.50 0.93 -1.07 0.00 0.00 179.97 180.79 1p80 h GLU 541 N 0.70 0.98 -0.28 0.04 5.08 -1.06 -0.26 114.58 119.78 1p80 h GLU 541 Ca 0.19 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1p80 h GLU 541 Cb -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1p80 h GLU 541 CO -0.04 0.65 -0.22 0.00 -1.00 0.00 0.00 179.01 178.39 1p80 h ARG 542 N 1.01 0.52 -0.28 2.33 3.08 -0.78 -1.28 114.38 118.98 1p80 h ARG 542 Ca 0.29 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 1p80 h ARG 542 Cb -0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1p80 h ARG 542 CO -0.08 0.71 -0.44 0.28 -1.07 0.00 0.00 179.97 179.37 1p80 h VAL 543 N 0.47 1.29 -0.98 2.04 2.07 -0.82 -2.29 116.25 118.02 1p80 h VAL 543 Ca 0.07 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 66.01 1p80 h VAL 543 Cb 0.64 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1p80 h VAL 543 CO 0.05 0.52 0.64 0.58 0.02 0.00 0.00 177.57 179.38 1p80 h VAL 544 N 0.54 1.15 -0.69 2.57 2.07 -0.79 -0.38 116.25 120.73 1p80 h VAL 544 Ca 0.02 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1p80 h VAL 544 Cb 1.04 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1p80 h VAL 544 CO 0.10 0.22 0.45 -0.78 0.02 0.00 0.00 177.57 177.58 1p80 h ASP 545 N 1.22 0.77 -0.72 0.57 1.82 -1.06 -0.96 116.42 118.06 1p80 h ASP 545 Ca 0.40 -0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.96 1p80 h ASP 545 Cb 0.04 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 39.84 1p80 h ASP 545 CO -0.13 0.55 0.19 1.56 -1.61 0.00 0.00 179.24 179.80 1p80 h GLN 546 N 0.91 1.15 -0.50 0.28 1.08 -0.71 -2.56 115.11 114.75 1p80 h GLN 546 Ca 0.26 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1p80 h GLN 546 Cb -0.07 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 1p80 h GLN 546 CO -0.07 1.00 0.28 -0.07 -0.95 0.00 0.00 178.83 179.02 1p80 h LEU 547 N 1.09 0.60 -2.44 1.46 3.38 -0.31 -1.61 115.31 117.48 1p80 h LEU 547 Ca 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1p80 h LEU 547 Cb 0.35 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1p80 h LEU 547 CO -0.00 0.48 -0.00 0.00 0.09 0.00 0.00 178.44 179.00 1p80 h ALA 548 N 1.63 1.01 -0.00 1.53 0.00 -0.77 -1.05 119.26 121.60 1p80 h ALA 548 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p80 h ALA 548 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p80 h ALA 548 CO -0.03 0.00 -0.21 0.72 0.00 0.00 0.00 179.25 179.73 1p80 n HIS 549 N -3.10 0.00 -0.10 0.00 8.25 -0.61 -4.22 115.22 115.45 1p80 n HIS 549 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1p80 n HIS 549 Cb 0.16 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.46 1.50 -3.65 1.59 5.41 -0.48 -4.18 119.36 118.08 1p80 n ILE 550 Ca 0.07 0.06 -0.07 0.00 1.00 0.00 0.00 62.75 63.80 1p80 n ILE 550 Cb 0.33 -2.27 -0.08 0.00 -0.71 0.00 0.00 39.64 36.92 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 -6.18 -0.85 0.26 4.38 -1.08 -0.75 -4.63 116.67 107.83 1p80 s ASP 551 Ca -0.29 1.37 -0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1p80 s ASP 551 Cb 0.06 1.29 0.34 0.00 -1.46 0.00 0.00 42.92 43.15 1p80 s ASP 551 CO 0.42 -0.23 1.71 0.25 0.52 0.00 0.00 175.17 177.84 1p80 h LEU 552 N 7.10 0.62 -0.43 -1.34 7.12 -1.80 -1.73 115.31 124.86 1p80 h LEU 552 Ca -0.31 -0.20 -0.04 0.00 0.13 0.00 0.00 57.88 57.47 1p80 h LEU 552 Cb 1.21 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 1p80 h LEU 552 CO 0.19 0.81 0.12 0.74 -0.13 0.00 0.00 178.44 180.17 1p80 h THR 553 N 0.56 1.22 -0.09 1.05 2.02 -1.97 0.66 112.91 116.36 1p80 h THR 553 Ca 0.09 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1p80 h THR 553 Cb 0.63 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1p80 h THR 553 CO 0.04 0.27 0.05 0.25 0.37 0.00 0.00 175.52 176.50 1p80 h LEU 554 N 0.55 0.11 -0.61 2.58 5.85 -1.89 -1.60 115.31 120.30 1p80 h LEU 554 Ca 0.14 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1p80 h LEU 554 Cb 0.28 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1p80 h LEU 554 CO -0.00 0.16 0.37 0.00 -0.34 0.00 0.00 178.44 178.62 1p80 h ALA 555 N 0.96 0.78 -0.56 1.25 0.00 -1.11 -1.50 119.26 119.08 1p80 h ALA 555 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1p80 h ALA 555 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1p80 h ALA 555 CO -0.01 0.26 0.05 1.96 0.00 0.00 0.00 179.25 181.52 1p80 h GLN 556 N 0.83 0.96 -0.66 0.00 4.20 -0.78 -0.05 115.11 119.61 1p80 h GLN 556 Ca 0.22 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1p80 h GLN 556 Cb -0.02 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1p80 h GLN 556 CO -0.04 0.94 0.19 0.00 -0.67 0.00 0.00 178.83 179.25 1p80 h ALA 557 N 0.99 1.10 -0.21 3.87 0.00 -1.02 -0.38 119.26 123.60 1p80 h ALA 557 Ca 0.17 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1p80 h ALA 557 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1p80 h ALA 557 CO 0.02 0.61 -0.47 0.28 0.00 0.00 0.00 179.25 179.69 1p80 h VAL 558 N 0.98 1.31 -0.84 0.00 2.07 -1.15 -3.02 116.25 115.60 1p80 h VAL 558 Ca 0.21 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 66.11 1p80 h VAL 558 Cb 0.30 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1p80 h VAL 558 CO -0.01 0.53 0.52 0.00 0.02 0.00 0.00 177.57 178.63 1p80 h ALA 559 N 0.60 1.16 -0.34 1.67 0.00 -0.76 -1.57 119.26 120.03 1p80 h ALA 559 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1p80 h ALA 559 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1p80 h ALA 559 CO 0.10 0.24 -0.10 -0.22 0.00 0.00 0.00 179.25 179.28 1p80 h LYS 560 N 0.93 0.57 0.00 0.00 3.64 -1.07 0.19 116.57 120.83 1p80 h LYS 560 Ca 0.37 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1p80 h LYS 560 Cb 0.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1p80 h LYS 560 CO -0.18 0.67 0.00 -0.91 -2.27 0.00 0.00 179.45 176.75 1p80 h ASN 561 N 0.53 0.00 -0.09 4.20 2.35 -1.18 -2.76 115.58 118.64 1p80 h ASN 561 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1p80 h ASN 561 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1p80 h ASN 561 CO 0.03 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 1p80 n LEU 562 N -3.04 2.83 -1.18 1.61 4.77 -0.78 -4.96 117.00 116.25 1p80 n LEU 562 Ca 0.01 -1.10 -0.11 0.00 -0.03 0.00 0.00 56.01 54.78 1p80 n LEU 562 Cb 0.33 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1p80 n LEU 562 CO 0.28 0.51 -0.14 0.61 -1.33 0.00 0.00 177.39 177.32 1p80 n GLY 563 N 1.19 0.25 3.79 -0.72 0.00 -0.38 -5.01 105.19 104.32 1p80 n GLY 563 Ca 0.13 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.53 4.80 -0.19 -0.61 1.01 0.54 -5.01 121.20 119.22 1p80 s ILE 564 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1p80 s ILE 564 Cb 0.00 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 1p80 s ILE 564 CO 0.00 0.39 -0.11 -1.61 0.00 0.00 0.00 174.94 173.61 1p80 s GLU 565 N -1.63 3.26 0.44 2.79 2.02 -1.26 -4.04 118.70 120.28 1p80 s GLU 565 Ca 0.22 -0.70 -0.25 0.00 0.02 0.00 0.00 54.97 54.26 1p80 s GLU 565 Cb -0.12 -2.78 -0.08 0.00 0.10 0.00 0.00 34.13 31.25 1p80 s GLU 565 CO 0.13 -0.10 1.27 -0.51 0.02 0.00 0.00 175.26 176.06 1p80 s LEU 566 N 1.15 4.12 0.85 1.80 1.43 -1.26 -5.03 118.68 121.73 1p80 s LEU 566 Ca 0.01 2.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 1p80 s LEU 566 Cb -0.14 -4.04 0.11 0.00 0.03 0.00 0.00 46.19 42.15 1p80 s LEU 566 CO -0.04 -0.95 1.21 0.42 0.23 0.00 0.00 176.35 177.22 1p80 s THR 567 N -1.34 2.00 0.29 5.49 -4.23 -1.26 -4.85 115.64 111.73 1p80 s THR 567 Ca 0.60 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1p80 s THR 567 Cb -0.36 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1p80 s THR 567 CO 0.45 0.00 1.67 0.44 -0.54 0.00 0.00 174.62 176.64 1p80 h ASP 568 N -1.21 0.17 -0.44 3.99 3.32 -1.98 -0.37 116.42 119.90 1p80 h ASP 568 Ca -0.46 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.46 1p80 h ASP 568 Cb 1.31 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1p80 h ASP 568 CO 0.59 0.64 0.06 0.44 -1.72 0.00 0.00 179.24 179.25 1p80 h ASP 569 N 0.13 0.72 -0.73 6.45 3.45 -1.97 -1.70 116.42 122.77 1p80 h ASP 569 Ca 0.01 -0.27 -0.06 0.00 0.43 0.00 0.00 57.03 57.14 1p80 h ASP 569 Cb 0.91 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1p80 h ASP 569 CO 0.07 0.80 0.21 1.56 -1.57 0.00 0.00 179.24 180.31 1p80 h GLN 570 N 0.60 1.14 0.00 3.56 4.20 -1.84 -2.35 115.11 120.43 1p80 h GLN 570 Ca 0.13 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1p80 h GLN 570 Cb 0.40 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1p80 h GLN 570 CO 0.01 0.99 -0.02 -0.07 -0.67 0.00 0.00 178.83 179.07 1p80 h LEU 571 N 1.09 0.00 -2.49 1.46 4.07 -0.81 -2.63 115.31 115.99 1p80 h LEU 571 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1p80 h LEU 571 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1p80 h LEU 571 CO -0.00 0.02 0.00 0.59 -1.08 0.00 0.00 178.44 177.97 1p80 n ASN 572 N -3.18 3.44 -4.70 -0.43 5.03 -0.66 -4.98 115.26 109.78 1p80 n ASN 572 Ca -0.01 -1.96 -0.42 0.00 0.87 0.00 0.00 54.58 53.05 1p80 n ASN 572 Cb 0.19 -0.30 -0.03 0.00 -1.02 0.00 0.00 39.78 38.62 1p80 n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1p80 s ILE 573 N -1.22 2.72 0.15 2.41 1.01 -1.00 -4.94 121.20 120.34 1p80 s ILE 573 Ca 0.38 0.34 -0.31 0.00 0.00 0.00 0.00 60.65 61.06 1p80 s ILE 573 Cb 0.21 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 1p80 s ILE 573 CO 0.29 0.01 1.45 -0.89 0.00 0.00 0.00 174.94 175.79 1p80 s THR 574 N 2.12 3.00 0.71 2.92 2.01 -1.26 -4.97 115.64 120.17 1p80 s THR 574 Ca 0.74 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.33 1p80 s THR 574 Cb -0.43 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.63 1p80 s THR 574 CO 0.33 0.07 1.21 -2.16 -0.69 0.00 0.00 174.62 173.37 1p80 s PRO 575 N 0.88 2.29 0.78 4.92 0.04 -1.26 -4.97 135.00 137.68 1p80 s PRO 575 Ca 0.65 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 1p80 s PRO 575 Cb -0.40 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1p80 s PRO 575 CO 0.32 -1.72 1.10 -1.25 0.04 0.00 0.00 177.00 175.50 1p80 s PRO 576 N -3.83 2.12 0.86 0.56 0.04 -1.26 -5.01 135.00 128.49 1p80 s PRO 576 Ca 0.75 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1p80 s PRO 576 Cb -0.29 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.48 1p80 s PRO 576 CO 0.43 -1.76 1.10 -1.25 0.04 0.00 0.00 177.00 175.56 1p80 s PRO 577 N -4.75 1.51 0.96 0.56 0.04 -1.26 -4.93 135.00 127.12 1p80 s PRO 577 Ca 0.63 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1p80 s PRO 577 Cb -0.19 -1.82 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1p80 s PRO 577 CO 0.54 -2.13 1.13 0.16 0.04 0.00 0.00 177.00 176.74 1p80 s ASP 578 N -3.27 3.08 -0.47 6.66 1.47 -1.26 -4.70 116.67 118.18 1p80 s ASP 578 Ca 0.63 1.00 -0.15 0.00 1.18 0.00 0.00 52.55 55.21 1p80 s ASP 578 Cb -0.19 -1.58 0.07 0.00 -0.34 0.00 0.00 42.92 40.88 1p80 s ASP 578 CO 0.57 -2.83 0.39 -0.69 0.68 0.00 0.00 175.17 173.29 1p80 s VAL 579 N -3.18 5.24 -1.54 2.11 1.01 -1.08 -4.53 120.40 118.43 1p80 s VAL 579 Ca 0.65 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1p80 s VAL 579 Cb -0.16 -4.11 0.07 0.00 0.00 0.00 0.00 36.38 32.19 1p80 s VAL 579 CO 0.55 -0.56 0.65 0.59 0.00 0.00 0.00 175.10 176.33 1p80 n ASN 580 N 5.20 -2.11 0.00 3.32 4.13 -1.26 -1.24 115.26 123.30 1p80 n ASN 580 Ca -0.12 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1p80 n ASN 580 Cb 0.44 -3.09 0.00 0.00 -1.54 0.00 0.00 39.78 35.59 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 -1.71 0.93 3.82 7.41 0.00 -1.26 -5.04 105.19 109.34 1p80 n GLY 581 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 4.47 -0.14 0.99 1.43 -0.37 -4.96 118.68 120.10 1p80 s LEU 582 Ca 0.00 1.01 0.17 0.00 -1.03 0.00 0.00 54.13 54.28 1p80 s LEU 582 Cb 0.00 -2.66 0.30 0.00 0.03 0.00 0.00 46.19 43.86 1p80 s LEU 582 CO 0.00 0.28 1.16 0.29 0.23 0.00 0.00 176.35 178.31 1p80 n LYS 583 N 1.97 1.27 0.00 1.70 5.02 -1.26 -2.64 118.16 124.22 1p80 n LYS 583 Ca -0.13 -2.65 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 1p80 n LYS 583 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1p80 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p80 n LYS 584 N -1.30 0.00 -3.41 1.97 2.85 -1.26 -4.68 118.16 112.32 1p80 n LYS 584 Ca 0.16 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.27 1p80 n LYS 584 Cb 0.66 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.94 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 1.16 0.44 -5.58 3.68 -1.26 -5.01 116.67 110.10 1p80 s ASP 585 Ca 0.00 -0.33 0.30 0.00 2.13 0.00 0.00 52.55 54.64 1p80 s ASP 585 Cb 0.00 0.66 1.61 0.00 -1.45 0.00 0.00 42.92 43.73 1p80 s ASP 585 CO 0.00 -0.35 1.91 -0.65 0.13 0.00 0.00 175.17 176.22 1p80 h PRO 586 N 8.25 0.00 0.00 4.34 0.11 -1.97 -1.22 132.00 141.51 1p80 h PRO 586 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1p80 h PRO 586 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1p80 h PRO 586 CO 0.30 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.96 1p80 n SER 587 N -2.55 0.38 0.06 -2.05 3.41 -1.26 -2.18 113.62 109.43 1p80 n SER 587 Ca -0.02 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1p80 n SER 587 Cb 0.05 -0.68 0.28 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.93 0.64 -4.85 1.04 4.77 -0.46 -4.86 117.00 111.34 1p80 n LEU 588 Ca 0.02 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.97 1p80 n LEU 588 Cb 0.19 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1p80 n LEU 588 CO 0.16 -0.05 0.28 -0.55 -1.33 0.00 0.00 177.39 175.90 1p80 s SER 589 N -4.02 6.76 0.13 -1.43 0.15 -0.93 -4.89 113.70 109.46 1p80 s SER 589 Ca 0.09 1.09 -0.09 0.00 0.70 0.00 0.00 55.95 57.73 1p80 s SER 589 Cb 0.14 -2.29 -0.09 0.00 -1.71 0.00 0.00 66.02 62.07 1p80 s SER 589 CO 0.67 -0.03 1.35 -0.07 1.20 0.00 0.00 173.24 176.36 1p80 h LEU 590 N 2.91 0.80 -0.73 3.45 3.38 -1.89 -3.39 115.31 119.84 1p80 h LEU 590 Ca -0.48 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1p80 h LEU 590 Cb 1.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1p80 h LEU 590 CO 0.67 1.31 -0.02 -1.22 0.09 0.00 0.00 178.44 179.27 1p80 n TYR 591 N -3.90 0.00 -0.10 1.13 4.01 -1.26 -4.73 117.16 112.30 1p80 n TYR 591 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.62 1p80 n TYR 591 Cb 0.74 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.78 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 0.26 0.28 -2.58 -0.72 0.00 -1.86 -3.30 119.26 111.35 1p80 h ALA 592 Ca 0.00 0.12 -0.73 0.00 0.00 0.00 0.00 54.91 54.30 1p80 h ALA 592 Cb 0.05 0.21 -0.28 0.00 0.00 0.00 0.00 17.79 17.77 1p80 h ALA 592 CO 0.00 -0.43 -0.38 0.42 0.00 0.00 0.00 179.25 178.87 1p80 s ILE 593 N -6.20 4.36 0.12 0.00 1.01 -1.26 -5.07 121.20 114.16 1p80 s ILE 593 Ca -0.14 -1.70 -0.35 0.00 0.00 0.00 0.00 60.65 58.47 1p80 s ILE 593 Cb 0.13 -3.83 -0.17 0.00 0.01 0.00 0.00 42.46 38.60 1p80 s ILE 593 CO 0.70 -0.76 1.15 -2.65 0.00 0.00 0.00 174.94 173.39 1p80 n PRO 594 N 4.96 0.86 -1.85 2.79 -0.02 -1.24 -4.91 135.00 135.58 1p80 n PRO 594 Ca -0.09 0.31 -0.02 0.00 -2.02 0.00 0.00 63.50 61.68 1p80 n PRO 594 Cb 0.41 -1.81 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.06 -0.14 -4.73 2.55 3.85 -1.26 -5.12 116.55 113.76 1p80 n ASP 595 Ca 0.17 -2.06 -0.42 0.00 -0.71 0.00 0.00 54.79 51.78 1p80 n ASP 595 Cb 0.20 0.10 -0.03 0.00 -1.35 0.00 0.00 41.12 40.04 1p80 n ASP 595 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1p80 s GLY 596 N -1.79 2.47 -0.10 6.12 0.00 -1.25 -4.01 107.32 108.76 1p80 s GLY 596 Ca 0.16 0.97 0.03 0.00 0.00 0.00 0.00 44.72 45.88 1p80 s GLY 596 CO -0.08 2.00 -0.21 -0.35 0.00 0.00 0.00 173.10 174.46 1p80 s ASP 597 N 0.55 2.86 0.03 1.64 3.68 -1.25 -4.90 116.67 119.28 1p80 s ASP 597 Ca 0.57 -0.52 0.23 0.00 2.13 0.00 0.00 52.55 54.96 1p80 s ASP 597 Cb -0.33 -1.31 0.14 0.00 -1.45 0.00 0.00 42.92 39.97 1p80 s ASP 597 CO 0.34 0.11 1.12 1.33 0.13 0.00 0.00 175.17 178.20 1p80 n VAL 598 N 3.74 0.11 -1.79 1.11 0.24 -1.26 -4.87 118.33 115.61 1p80 n VAL 598 Ca -0.20 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 1p80 n VAL 598 Cb 0.52 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 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 -3.12 4.16 0.00 7.34 2.20 -1.25 -1.77 119.74 127.29 1p80 s LYS 599 Ca 0.06 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1p80 s LYS 599 Cb 0.15 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1p80 s LYS 599 CO 0.78 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1p80 n GLY 600 N 3.96 1.83 3.82 5.54 0.00 -0.64 -4.99 105.19 114.71 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 -0.92 1.41 -0.00 1.61 1.81 -0.73 -4.78 118.95 117.35 1p80 s ARG 601 Ca 0.00 0.26 0.03 0.00 -1.72 0.00 0.00 55.73 54.30 1p80 s ARG 601 Cb 0.00 -1.87 -0.01 0.00 -0.45 0.00 0.00 34.95 32.62 1p80 s ARG 601 CO 0.00 -2.01 -0.10 0.08 -0.68 0.00 0.00 175.30 172.60 1p80 s VAL 602 N -3.35 0.75 -0.06 3.52 1.01 -1.26 -1.18 120.40 119.83 1p80 s VAL 602 Ca 0.63 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1p80 s VAL 602 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1p80 s VAL 602 CO 0.52 0.18 -0.20 -0.69 0.00 0.00 0.00 175.10 174.92 1p80 s VAL 603 N -0.28 2.57 -0.09 2.92 1.01 -0.23 0.22 120.40 126.51 1p80 s VAL 603 Ca 0.03 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1p80 s VAL 603 Cb -0.04 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1p80 s VAL 603 CO -0.00 0.57 0.53 0.00 0.00 0.00 0.00 175.10 176.20 1p80 s ALA 604 N -0.40 3.46 -0.27 5.51 0.00 -0.62 -1.56 121.76 127.88 1p80 s ALA 604 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 1p80 s ALA 604 Cb -0.12 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 20.34 1p80 s ALA 604 CO 0.02 0.02 -0.04 0.42 0.00 0.00 0.00 175.76 176.18 1p80 s ILE 605 N 0.50 2.87 -0.45 0.00 1.01 -0.44 -0.88 121.20 123.82 1p80 s ILE 605 Ca 0.28 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 1p80 s ILE 605 Cb -0.16 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.77 1p80 s ILE 605 CO 0.12 0.03 0.96 -0.76 0.00 0.00 0.00 174.94 175.29 1p80 s LEU 606 N 1.27 3.95 0.63 2.97 1.02 -0.63 -1.29 118.68 126.60 1p80 s LEU 606 Ca -0.03 0.25 -0.08 0.00 0.02 0.00 0.00 54.13 54.29 1p80 s LEU 606 Cb -0.18 -3.26 0.01 0.00 0.02 0.00 0.00 46.19 42.78 1p80 s LEU 606 CO -0.03 -1.04 0.98 -0.76 0.02 0.00 0.00 176.35 175.52 1p80 s LEU 607 N 3.80 3.11 0.40 1.79 1.43 0.14 -4.24 118.68 125.12 1p80 s LEU 607 Ca 0.39 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.45 1p80 s LEU 607 Cb -0.10 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1p80 s LEU 607 CO 0.26 -1.15 0.15 0.54 0.23 0.00 0.00 176.35 176.38 1p80 s ASN 608 N -4.31 2.67 0.00 2.29 2.20 -1.26 -4.80 114.94 111.72 1p80 s ASN 608 Ca 0.55 -1.69 0.28 0.00 -0.94 0.00 0.00 52.86 51.06 1p80 s ASN 608 Cb -0.11 0.53 1.43 0.00 -2.00 0.00 0.00 41.25 41.10 1p80 s ASN 608 CO 0.48 -0.96 1.97 -0.90 -2.94 0.00 0.00 177.10 174.76 1p80 n ASP 609 N -1.35 0.00 -2.98 3.54 3.85 -1.26 -3.90 116.55 114.44 1p80 n ASP 609 Ca -0.04 -0.13 -0.14 0.00 -0.71 0.00 0.00 54.79 53.77 1p80 n ASP 609 Cb 0.65 -0.28 0.01 0.00 -1.35 0.00 0.00 41.12 40.15 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 -1.28 1.02 -1.68 0.11 4.07 -1.26 -4.29 120.64 117.33 1p80 n GLU 610 Ca 0.13 -2.99 -0.39 0.00 -0.06 0.00 0.00 57.16 53.85 1p80 n GLU 610 Cb 0.22 -1.40 0.03 0.00 -0.06 0.00 0.00 31.44 30.23 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 0.19 3.23 -2.38 6.31 0.31 -1.25 -2.40 118.33 122.35 1p80 n VAL 611 Ca 0.17 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.59 1p80 n VAL 611 Cb 0.71 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 1p80 n VAL 611 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1p80 s ARG 612 N -2.54 3.20 0.42 5.55 6.06 -0.92 -0.41 118.95 130.32 1p80 s ARG 612 Ca 0.68 0.35 0.13 0.00 -2.50 0.00 0.00 55.73 54.40 1p80 s ARG 612 Cb -0.46 -4.17 1.00 0.00 0.06 0.00 0.00 34.95 31.38 1p80 s ARG 612 CO 0.52 -2.07 1.96 0.66 -2.50 0.00 0.00 175.30 173.87 1p80 h SER 613 N 11.33 0.41 0.03 -2.12 4.64 -1.91 -2.08 113.55 123.85 1p80 h SER 613 Ca -0.27 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1p80 h SER 613 Cb 1.09 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1p80 h SER 613 CO 1.20 0.24 -0.16 0.00 -0.87 0.00 0.00 176.83 177.24 1p80 h ALA 614 N 1.67 1.43 -0.08 5.18 0.00 -2.00 -1.55 119.26 123.91 1p80 h ALA 614 Ca 0.31 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p80 h ALA 614 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1p80 h ALA 614 CO -0.09 0.40 -0.10 -0.44 0.00 0.00 0.00 179.25 179.02 1p80 h ASP 615 N 0.25 0.23 -0.64 0.00 3.45 -1.76 -3.00 116.42 114.95 1p80 h ASP 615 Ca 0.05 -0.50 -0.02 0.00 0.43 0.00 0.00 57.03 56.99 1p80 h ASP 615 Cb 0.44 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 1p80 h ASP 615 CO 0.03 0.68 0.34 0.25 -1.57 0.00 0.00 179.24 178.97 1p80 h LEU 616 N -0.22 0.83 -0.31 1.55 6.46 -1.41 -0.96 115.31 121.25 1p80 h LEU 616 Ca 0.01 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1p80 h LEU 616 Cb 0.62 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1p80 h LEU 616 CO 0.02 0.68 0.07 0.25 -0.62 0.00 0.00 178.44 178.84 1p80 h LEU 617 N 0.93 0.48 -0.61 2.25 5.85 -1.35 -1.99 115.31 120.87 1p80 h LEU 617 Ca 0.23 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1p80 h LEU 617 Cb 0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1p80 h LEU 617 CO -0.03 0.59 0.20 0.00 -0.34 0.00 0.00 178.44 178.86 1p80 h ALA 618 N 0.90 0.80 0.48 1.25 0.00 -1.32 -1.30 119.26 120.06 1p80 h ALA 618 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1p80 h ALA 618 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1p80 h ALA 618 CO 0.00 0.46 -0.23 0.82 0.00 0.00 0.00 179.25 180.30 1p80 h ILE 619 N 0.86 0.52 -0.34 0.00 2.04 -1.04 -2.11 117.51 117.45 1p80 h ILE 619 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 1p80 h ILE 619 Cb 0.28 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1p80 h ILE 619 CO -0.01 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 178.02 1p80 h LEU 620 N -0.65 0.52 -0.41 1.44 3.38 -1.32 0.56 115.31 118.83 1p80 h LEU 620 Ca -0.07 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1p80 h LEU 620 Cb 0.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1p80 h LEU 620 CO 0.11 0.62 -0.07 0.50 0.09 0.00 0.00 178.44 179.69 1p80 h LYS 621 N 0.51 0.78 -0.40 1.13 3.64 -1.24 0.68 116.57 121.68 1p80 h LYS 621 Ca 0.10 -0.29 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1p80 h LYS 621 Cb 0.41 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1p80 h LYS 621 CO 0.02 0.89 -0.23 0.00 -2.27 0.00 0.00 179.45 177.87 1p80 h ALA 622 N 0.86 0.56 -0.45 5.00 0.00 -0.91 -2.31 119.26 122.01 1p80 h ALA 622 Ca 0.11 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1p80 h ALA 622 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1p80 h ALA 622 CO 0.04 0.54 0.06 -0.07 0.00 0.00 0.00 179.25 179.82 1p80 h LEU 623 N 0.67 0.72 -1.03 0.00 3.38 -0.83 -3.07 115.31 115.14 1p80 h LEU 623 Ca 0.08 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1p80 h LEU 623 Cb 0.79 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1p80 h LEU 623 CO 0.06 0.81 0.65 0.50 0.09 0.00 0.00 178.44 180.55 1p80 h LYS 624 N 0.61 1.20 0.00 1.13 3.64 -0.79 -1.18 116.57 121.18 1p80 h LYS 624 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1p80 h LYS 624 Cb 0.40 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1p80 h LYS 624 CO 0.01 0.79 -0.08 0.00 -2.27 0.00 0.00 179.45 177.90 1p80 h ALA 625 N 1.43 1.23 -0.03 5.00 0.00 -1.32 -1.97 119.26 123.60 1p80 h ALA 625 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1p80 h ALA 625 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p80 h ALA 625 CO -0.13 0.10 -0.06 1.63 0.00 0.00 0.00 179.25 180.79 1p80 n LYS 626 N -3.52 1.89 -1.08 0.00 4.76 -0.78 -4.96 118.16 114.48 1p80 n LYS 626 Ca -0.02 -1.66 -0.01 0.00 -2.87 0.00 0.00 58.31 53.75 1p80 n LYS 626 Cb 0.21 -1.41 -0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 1.22 0.46 3.75 0.72 0.00 -0.74 -3.86 105.19 106.75 1p80 n GLY 627 Ca 0.12 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.04 5.05 0.51 1.61 1.01 -0.52 -1.62 120.40 124.40 1p80 s VAL 628 Ca 0.00 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 1p80 s VAL 628 Cb 0.00 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1p80 s VAL 628 CO 0.00 0.40 0.78 -1.00 0.00 0.00 0.00 175.10 175.28 1p80 s HIS 629 N 0.05 3.27 0.09 5.22 3.76 -0.32 -4.12 115.29 123.25 1p80 s HIS 629 Ca 0.28 0.47 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 1p80 s HIS 629 Cb -0.17 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 1p80 s HIS 629 CO 0.14 -0.54 -0.10 0.00 -0.85 0.00 0.00 174.74 173.39 1p80 s ALA 630 N -2.76 1.04 -0.08 -1.40 0.00 -1.26 -1.06 121.76 116.23 1p80 s ALA 630 Ca 0.50 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1p80 s ALA 630 Cb -0.10 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.09 1p80 s ALA 630 CO 0.42 -0.04 0.04 -1.59 0.00 0.00 0.00 175.76 174.59 1p80 s LYS 631 N -2.64 0.24 -0.38 0.00 -2.85 -0.60 -4.93 119.74 108.58 1p80 s LYS 631 Ca 0.03 0.15 -0.26 0.00 -1.00 0.00 0.00 55.97 54.89 1p80 s LYS 631 Cb -0.04 -1.01 0.02 0.00 -2.06 0.00 0.00 37.83 34.74 1p80 s LYS 631 CO -0.00 -0.40 0.97 -0.51 0.10 0.00 0.00 175.35 175.50 1p80 s LEU 632 N 2.07 3.95 0.04 2.77 1.43 -1.26 -1.32 118.68 126.36 1p80 s LEU 632 Ca 0.04 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1p80 s LEU 632 Cb -0.13 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1p80 s LEU 632 CO -0.05 -0.92 0.02 -0.76 0.23 0.00 0.00 176.35 174.88 1p80 s LEU 633 N 3.62 3.60 0.00 1.79 1.02 -0.41 -0.44 118.68 127.85 1p80 s LEU 633 Ca 0.40 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.51 1p80 s LEU 633 Cb -0.11 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.91 1p80 s LEU 633 CO 0.20 0.23 0.00 0.00 0.02 0.00 0.00 176.35 176.80 1p80 n TYR 634 N 0.96 -0.42 1.21 0.29 9.36 -0.94 -0.68 117.16 126.93 1p80 n TYR 634 Ca -0.12 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.23 1p80 n TYR 634 Cb 0.52 0.00 0.40 0.00 -0.63 0.00 0.00 39.34 39.64 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 -2.08 0.75 -3.74 2.98 3.41 -1.26 -1.78 113.62 111.90 1p80 n SER 635 Ca 0.00 -0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 57.88 1p80 n SER 635 Cb 0.00 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.63 1.68 0.80 4.33 1.70 -1.26 -4.88 118.95 118.69 1p80 s ARG 636 Ca 0.22 -1.41 -0.04 0.00 -0.47 0.00 0.00 55.73 54.04 1p80 s ARG 636 Cb 0.19 0.47 0.16 0.00 -0.57 0.00 0.00 34.95 35.20 1p80 s ARG 636 CO 0.55 -0.70 1.10 -1.64 -1.08 0.00 0.00 175.30 173.53 1p80 s MET 637 N -3.65 1.27 0.00 3.89 -1.94 -1.26 -4.71 119.30 112.90 1p80 s MET 637 Ca 0.24 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1p80 s MET 637 Cb -0.01 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1p80 s MET 637 CO 0.12 -1.79 0.00 0.41 -0.01 0.00 0.00 175.02 173.75 1p80 n GLY 638 N -3.10 0.57 3.29 -0.03 0.00 -1.26 -4.99 105.19 99.66 1p80 n GLY 638 Ca 0.17 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 1.09 0.13 1.61 -1.05 -1.26 -1.61 118.70 117.61 1p80 s GLU 639 Ca 0.00 -1.24 0.05 0.00 -0.15 0.00 0.00 54.97 53.64 1p80 s GLU 639 Cb 0.00 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1p80 s GLU 639 CO 0.00 -0.38 -0.12 0.14 0.95 0.00 0.00 175.26 175.85 1p80 s VAL 640 N -3.99 1.21 -0.17 1.83 -7.23 -0.11 -4.94 120.40 107.01 1p80 s VAL 640 Ca 0.19 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1p80 s VAL 640 Cb 0.04 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 1p80 s VAL 640 CO 0.00 -0.55 0.01 -0.89 -0.31 0.00 0.00 175.10 173.36 1p80 s THR 641 N -2.59 4.36 0.49 5.32 2.01 -1.26 0.14 115.64 124.10 1p80 s THR 641 Ca 0.11 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1p80 s THR 641 Cb -0.02 -2.94 0.12 0.00 0.01 0.00 0.00 72.50 69.67 1p80 s THR 641 CO 0.02 0.48 0.49 0.00 -0.69 0.00 0.00 174.62 174.92 1p80 n ALA 642 N 3.46 -1.22 -0.06 7.40 0.00 0.10 -4.16 120.51 126.04 1p80 n ALA 642 Ca -0.17 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 1p80 n ALA 642 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1p80 n ALA 642 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1p80 h ASP 643 N -1.45 0.32 0.00 0.00 3.04 -0.96 -3.07 116.42 114.30 1p80 h ASP 643 Ca -0.18 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 1p80 h ASP 643 Cb 0.52 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 1p80 h ASP 643 CO 0.12 0.58 0.00 -0.90 -2.04 0.00 0.00 179.24 177.00 1p80 n ASP 644 N -4.69 0.15 0.00 4.15 3.85 -1.26 -4.80 116.55 113.95 1p80 n ASP 644 Ca -0.05 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1p80 n ASP 644 Cb 0.24 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 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 0.40 0.78 3.74 6.12 0.00 -1.16 -5.03 105.19 110.04 1p80 n GLY 645 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.96 2.37 -0.21 2.61 2.01 -1.26 -4.64 115.64 113.55 1p80 s THR 646 Ca 0.00 0.30 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 1p80 s THR 646 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1p80 s THR 646 CO 0.00 0.04 0.51 -0.69 -0.69 0.00 0.00 174.62 173.79 1p80 s VAL 647 N 0.27 5.10 -0.32 3.82 1.01 -1.26 0.02 120.40 129.04 1p80 s VAL 647 Ca 0.64 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.48 1p80 s VAL 647 Cb -0.45 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.12 1p80 s VAL 647 CO 0.42 0.16 0.09 -0.76 0.00 0.00 0.00 175.10 175.01 1p80 s LEU 648 N 1.75 4.08 0.05 3.92 1.02 0.12 -4.97 118.68 124.65 1p80 s LEU 648 Ca 0.23 -0.96 -0.31 0.00 0.02 0.00 0.00 54.13 53.12 1p80 s LEU 648 Cb -0.15 -1.86 -0.06 0.00 0.02 0.00 0.00 46.19 44.13 1p80 s LEU 648 CO 0.09 -0.26 1.32 -2.16 0.02 0.00 0.00 176.35 175.36 1p80 s PRO 649 N 1.44 4.34 -0.15 1.29 0.04 -1.26 -0.93 135.00 139.77 1p80 s PRO 649 Ca 0.00 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 1p80 s PRO 649 Cb -0.18 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1p80 s PRO 649 CO 0.02 -0.44 0.69 0.42 0.04 0.00 0.00 177.00 177.74 1p80 s ILE 650 N 1.63 5.01 0.01 0.56 1.01 -0.63 -4.76 121.20 124.03 1p80 s ILE 650 Ca 0.62 1.36 -0.14 0.00 0.00 0.00 0.00 60.65 62.48 1p80 s ILE 650 Cb -0.32 -4.01 -0.34 0.00 0.01 0.00 0.00 42.46 37.80 1p80 s ILE 650 CO 0.28 0.15 0.93 0.00 0.00 0.00 0.00 174.94 176.29 1p80 h ALA 651 N 7.18 -0.08 -2.85 9.38 0.00 -1.09 -3.41 119.26 128.40 1p80 h ALA 651 Ca -0.34 -0.93 0.07 0.00 0.00 0.00 0.00 54.91 53.71 1p80 h ALA 651 Cb 1.16 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1p80 h ALA 651 CO 0.78 0.78 0.31 0.00 0.00 0.00 0.00 179.25 181.12 1p80 s ALA 652 N -2.60 -1.21 0.58 0.00 0.00 -1.21 -5.04 121.76 112.29 1p80 s ALA 652 Ca -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1p80 s ALA 652 Cb 0.04 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1p80 s ALA 652 CO 0.92 -1.03 0.84 0.95 0.00 0.00 0.00 175.76 177.44 1p80 s THR 653 N -3.29 2.82 0.27 0.00 -4.23 -1.26 -2.22 115.64 107.73 1p80 s THR 653 Ca 0.13 -0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1p80 s THR 653 Cb -0.05 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 70.93 1p80 s THR 653 CO 0.07 -0.09 1.93 -0.26 -0.54 0.00 0.00 174.62 175.73 1p80 h PHE 654 N -0.09 1.14 0.00 3.99 0.05 -1.67 -2.02 116.94 118.32 1p80 h PHE 654 Ca -0.43 0.01 -0.17 0.00 3.82 0.00 0.00 57.97 61.19 1p80 h PHE 654 Cb 1.29 -0.38 -0.03 0.00 2.00 0.00 0.00 35.95 38.84 1p80 h PHE 654 CO 0.38 0.74 -0.86 0.00 -0.18 0.00 0.00 178.31 178.40 1p80 h ALA 655 N 1.40 0.48 0.00 2.45 0.00 -1.91 -3.31 119.26 118.37 1p80 h ALA 655 Ca 0.32 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1p80 h ALA 655 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1p80 h ALA 655 CO -0.06 1.03 -0.32 0.78 0.00 0.00 0.00 179.25 180.69 1p80 h GLY 656 N 3.21 0.00 -6.19 0.00 0.00 -1.80 -3.37 103.07 94.92 1p80 h GLY 656 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.74 1p80 h GLY 656 CO 0.10 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.63 1p80 n ALA 657 N -2.22 2.58 -0.67 3.60 0.00 -0.81 -4.84 120.51 118.16 1p80 n ALA 657 Ca 0.01 -3.16 -0.31 0.00 0.00 0.00 0.00 53.44 49.98 1p80 n ALA 657 Cb 0.55 -0.79 0.17 0.00 0.00 0.00 0.00 19.45 19.39 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 2.31 -0.85 0.27 0.00 -0.02 -1.25 -4.83 135.00 130.64 1p80 n PRO 658 Ca 0.26 -0.20 0.14 0.00 -2.02 0.00 0.00 63.50 61.68 1p80 n PRO 658 Cb 0.50 -2.18 0.84 0.00 -0.02 0.00 0.00 33.50 32.64 1p80 n PRO 658 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p80 h SER 659 N -1.97 0.00 -1.06 2.55 4.64 -1.85 -1.96 113.55 113.89 1p80 h SER 659 Ca -0.47 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.13 1p80 h SER 659 Cb 1.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 1p80 h SER 659 CO 0.41 0.00 0.70 -0.07 -0.87 0.00 0.00 176.83 176.99 1p80 h LEU 660 N 0.00 0.37 -0.65 5.97 4.07 -1.95 -1.27 115.31 121.85 1p80 h LEU 660 Ca 0.01 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1p80 h LEU 660 Cb 0.07 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1p80 h LEU 660 CO -0.00 0.06 -0.04 0.35 -1.08 0.00 0.00 178.44 177.73 1p80 n THR 661 N -4.57 0.00 -4.60 0.22 -2.24 -0.74 -4.92 114.28 97.44 1p80 n THR 661 Ca 0.26 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 1p80 n THR 661 Cb 0.95 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.10 1.73 -0.07 2.28 -7.23 -0.48 -4.93 120.40 109.61 1p80 s VAL 662 Ca 0.38 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.77 1p80 s VAL 662 Cb 0.21 -2.86 -0.28 0.00 0.56 0.00 0.00 36.38 34.01 1p80 s VAL 662 CO 0.37 0.00 0.57 0.47 -0.31 0.00 0.00 175.10 176.21 1p80 n ASP 663 N -0.95 0.15 -3.60 4.85 9.92 0.13 -4.99 116.55 122.06 1p80 n ASP 663 Ca -0.06 0.06 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1p80 n ASP 663 Cb 0.67 1.71 -0.02 0.00 -0.64 0.00 0.00 41.12 42.84 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 -3.48 -1.55 -0.04 2.24 0.00 -1.20 -4.26 121.76 113.47 1p80 s ALA 664 Ca -0.07 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1p80 s ALA 664 Cb 0.13 0.75 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1p80 s ALA 664 CO 0.89 -0.87 -0.09 0.08 0.00 0.00 0.00 175.76 175.77 1p80 s VAL 665 N -3.60 0.85 -0.05 0.00 1.01 -0.78 -1.59 120.40 116.24 1p80 s VAL 665 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1p80 s VAL 665 Cb -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 1p80 s VAL 665 CO -0.05 0.27 -0.18 -0.63 0.00 0.00 0.00 175.10 174.52 1p80 s ILE 666 N 0.39 1.49 -0.28 2.22 1.01 -0.06 -0.85 121.20 125.12 1p80 s ILE 666 Ca -0.07 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1p80 s ILE 666 Cb -0.11 -1.29 0.07 0.00 0.01 0.00 0.00 42.46 41.14 1p80 s ILE 666 CO 0.01 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 1p80 s VAL 667 N 0.11 2.17 0.82 2.92 1.01 -0.61 -1.61 120.40 125.21 1p80 s VAL 667 Ca -0.06 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 59.98 1p80 s VAL 667 Cb -0.13 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1p80 s VAL 667 CO 0.03 -0.20 1.09 -2.16 0.00 0.00 0.00 175.10 173.86 1p80 s PRO 668 N 1.06 1.88 0.19 2.72 0.04 -1.26 -1.84 135.00 137.79 1p80 s PRO 668 Ca -0.03 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 61.74 1p80 s PRO 668 Cb -0.20 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.50 1p80 s PRO 668 CO -0.06 -1.80 0.24 0.00 0.04 0.00 0.00 177.00 175.42 1p80 n GLY 670 N 2.87 0.50 3.58 0.00 0.00 -1.26 -2.17 105.19 108.70 1p80 n GLY 670 Ca 0.03 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 6.83 0.49 1.61 3.04 -1.01 -4.76 114.94 117.15 1p80 s ASN 671 Ca 0.00 -2.42 0.33 0.00 0.04 0.00 0.00 52.86 50.81 1p80 s ASN 671 Cb 0.00 -2.57 1.56 0.00 -1.54 0.00 0.00 41.25 38.70 1p80 s ASN 671 CO 0.00 -1.17 1.99 0.40 -3.04 0.00 0.00 177.10 175.28 1p80 h ILE 672 N 5.60 0.00 0.00 -5.21 1.08 -1.92 -2.24 117.51 114.82 1p80 h ILE 672 Ca 0.44 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.65 1p80 h ILE 672 Cb 0.88 1.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1p80 h ILE 672 CO 1.45 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 178.77 1p80 h ALA 673 N 2.05 1.36 -0.64 1.87 0.00 -1.97 0.98 119.26 122.92 1p80 h ALA 673 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1p80 h ALA 673 Cb 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1p80 h ALA 673 CO 0.00 0.18 0.22 0.22 0.00 0.00 0.00 179.25 179.87 1p80 h ASP 674 N 0.00 0.89 -0.00 0.00 -0.00 -1.81 -3.29 116.42 112.20 1p80 h ASP 674 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 1p80 h ASP 674 Cb 0.36 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1p80 h ASP 674 CO 0.02 0.82 -0.07 2.30 -0.00 0.00 0.00 179.24 182.30 1p80 n ILE 675 N -4.29 0.00 -0.12 2.25 -5.35 -1.00 -4.71 119.36 106.13 1p80 n ILE 675 Ca 0.05 -0.46 0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1p80 n ILE 675 Cb 0.20 1.08 0.50 0.00 -1.74 0.00 0.00 39.64 39.68 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 0.99 2.05 -0.26 -1.28 0.00 -0.88 -0.35 119.26 119.53 1p80 h ALA 676 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p80 h ALA 676 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1p80 h ALA 676 CO 0.00 -0.21 -0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1p80 n ASP 677 N -4.47 3.56 -4.65 0.00 10.43 -1.26 -4.90 116.55 115.26 1p80 n ASP 677 Ca 0.12 -3.14 -0.43 0.00 2.57 0.00 0.00 54.79 53.91 1p80 n ASP 677 Cb 0.44 -0.55 -0.02 0.00 1.84 0.00 0.00 41.12 42.82 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 -2.09 6.96 0.21 -2.24 3.84 -0.14 -4.94 114.94 116.54 1p80 s ASN 678 Ca 0.42 1.38 -0.09 0.00 0.21 0.00 0.00 52.86 54.77 1p80 s ASN 678 Cb 0.35 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.79 1p80 s ASN 678 CO 0.07 -0.79 1.74 1.23 -2.79 0.00 0.00 177.10 176.56 1p80 h GLY 679 N 9.85 0.86 1.23 1.21 0.00 -1.93 -1.40 103.07 112.89 1p80 h GLY 679 Ca -0.22 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 1p80 h GLY 679 CO 1.00 -0.03 -0.53 -0.55 0.00 0.00 0.00 176.54 176.43 1p80 h ASP 680 N 0.40 0.90 -0.32 0.19 3.45 -1.96 -1.38 116.42 117.69 1p80 h ASP 680 Ca 0.31 -0.47 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 1p80 h ASP 680 Cb 0.39 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1p80 h ASP 680 CO -0.31 1.25 0.18 0.00 -1.57 0.00 0.00 179.24 178.79 1p80 h ALA 681 N 0.77 0.42 -0.47 3.45 0.00 -1.77 0.21 119.26 121.87 1p80 h ALA 681 Ca 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1p80 h ALA 681 Cb 1.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1p80 h ALA 681 CO 0.11 -0.06 0.16 -0.91 0.00 0.00 0.00 179.25 178.56 1p80 h ASN 682 N 0.41 0.67 -0.41 0.00 2.35 -1.26 -2.76 115.58 114.58 1p80 h ASN 682 Ca 0.11 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1p80 h ASN 682 Cb 0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1p80 h ASN 682 CO -0.02 0.68 0.13 0.22 -1.65 0.00 0.00 177.43 176.80 1p80 h TYR 683 N 0.62 0.72 -0.60 1.19 5.03 -0.96 -2.14 116.97 120.83 1p80 h TYR 683 Ca 0.15 -0.05 0.12 0.00 2.58 0.00 0.00 58.73 61.53 1p80 h TYR 683 Cb 0.24 -0.22 -0.09 0.00 1.55 0.00 0.00 36.73 38.22 1p80 h TYR 683 CO 0.01 0.60 0.10 -0.92 -1.32 0.00 0.00 178.16 176.63 1p80 h TYR 684 N 0.69 0.15 -0.20 -3.82 5.03 -0.29 0.90 116.97 119.43 1p80 h TYR 684 Ca 0.16 0.04 -0.19 0.00 2.58 0.00 0.00 58.73 61.31 1p80 h TYR 684 Cb 0.23 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1p80 h TYR 684 CO 0.01 -0.06 -0.65 -0.07 -1.32 0.00 0.00 178.16 176.07 1p80 h LEU 685 N 0.22 0.83 -0.62 2.82 4.07 -1.40 -2.31 115.31 118.93 1p80 h LEU 685 Ca 0.32 -0.49 -0.10 0.00 0.08 0.00 0.00 57.88 57.70 1p80 h LEU 685 Cb 0.49 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1p80 h LEU 685 CO -0.43 1.26 0.02 0.24 -1.08 0.00 0.00 178.44 178.45 1p80 h MET 686 N 0.53 1.09 -0.23 1.13 2.86 -0.75 0.21 114.93 119.76 1p80 h MET 686 Ca -0.01 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.24 1p80 h MET 686 Cb 1.25 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1p80 h MET 686 CO 0.13 1.05 -0.05 1.49 1.06 0.00 0.00 176.91 180.59 1p80 h GLU 687 N 0.99 0.44 -0.89 1.72 4.81 -0.85 -0.53 114.58 120.27 1p80 h GLU 687 Ca 0.18 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1p80 h GLU 687 Cb 0.55 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1p80 h GLU 687 CO 0.03 0.66 0.51 0.00 -0.73 0.00 0.00 179.01 179.48 1p80 h ALA 688 N 0.76 1.22 -0.10 2.92 0.00 -1.28 -1.66 119.26 121.12 1p80 h ALA 688 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1p80 h ALA 688 Cb 0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p80 h ALA 688 CO 0.02 0.65 0.02 -0.92 0.00 0.00 0.00 179.25 179.02 1p80 h TYR 689 N 1.24 0.17 -0.73 0.00 3.20 -0.42 -1.55 116.97 118.88 1p80 h TYR 689 Ca 0.32 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.23 1p80 h TYR 689 Cb -0.00 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 1p80 h TYR 689 CO 0.01 0.36 0.48 -0.22 -1.64 0.00 0.00 178.16 177.14 1p80 h LYS 690 N -0.06 0.72 -0.47 1.82 3.64 -0.72 -1.81 116.57 119.69 1p80 h LYS 690 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1p80 h LYS 690 Cb 0.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1p80 h LYS 690 CO 0.00 0.48 0.00 0.72 -2.27 0.00 0.00 179.45 178.38 1p80 n HIS 691 N -4.48 0.51 -1.97 1.91 8.25 -0.66 -4.90 115.22 113.88 1p80 n HIS 691 Ca 0.11 -0.22 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 1p80 n HIS 691 Cb 0.24 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 0.29 -1.35 -4.82 2.41 4.77 -0.68 -4.89 117.00 112.73 1p80 n LEU 692 Ca 0.10 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 1p80 n LEU 692 Cb 0.36 -1.89 -0.06 0.00 -2.33 0.00 0.00 43.42 39.50 1p80 n LEU 692 CO 0.08 -0.27 0.27 -0.54 -1.33 0.00 0.00 177.39 175.60 1p80 s LYS 693 N -4.13 4.14 0.26 3.23 1.02 -0.60 0.31 119.74 123.97 1p80 s LYS 693 Ca 0.00 0.68 -0.31 0.00 0.02 0.00 0.00 55.97 56.36 1p80 s LYS 693 Cb 0.00 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 34.06 1p80 s LYS 693 CO 0.00 0.58 1.42 -2.30 -0.92 0.00 0.00 175.35 174.13 1p80 n PRO 694 N 1.38 2.14 -4.59 -1.68 -0.02 -1.26 -4.60 135.00 126.36 1p80 n PRO 694 Ca -0.08 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 1p80 n PRO 694 Cb 0.51 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.14 1.10 -0.10 4.25 1.01 -1.07 -1.87 121.20 124.39 1p80 s ILE 695 Ca 0.66 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1p80 s ILE 695 Cb -0.62 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1p80 s ILE 695 CO 0.51 0.33 -0.14 0.00 0.00 0.00 0.00 174.94 175.64 1p80 s ALA 696 N 0.29 1.58 -0.13 9.38 0.00 -0.03 -0.22 121.76 132.62 1p80 s ALA 696 Ca -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1p80 s ALA 696 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1p80 s ALA 696 CO 0.02 -0.04 -0.21 -0.51 0.00 0.00 0.00 175.76 175.02 1p80 s LEU 697 N 0.94 2.05 -0.14 0.00 1.43 0.94 -1.58 118.68 122.32 1p80 s LEU 697 Ca -0.08 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1p80 s LEU 697 Cb -0.15 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1p80 s LEU 697 CO -0.00 0.07 0.02 0.00 0.23 0.00 0.00 176.35 176.67 1p80 s ALA 698 N 0.84 3.29 0.00 4.21 0.00 -0.76 -3.05 121.76 126.29 1p80 s ALA 698 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1p80 s ALA 698 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1p80 s ALA 698 CO -0.02 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1p80 n GLY 699 N 2.92 3.48 0.23 0.00 0.00 -0.07 -1.10 105.19 110.65 1p80 n GLY 699 Ca -0.18 0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.12 1p80 n GLY 699 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p80 h ASP 700 N 0.00 0.00 -0.00 1.61 3.45 -1.90 -1.23 116.42 118.34 1p80 h ASP 700 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1p80 h ASP 700 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1p80 h ASP 700 CO 0.00 0.00 0.06 0.00 -1.57 0.00 0.00 179.24 177.73 1p80 h ALA 701 N 2.07 1.09 0.00 3.45 0.00 -1.37 -0.93 119.26 123.57 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1p80 h ALA 701 CO 0.00 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.73 1p80 n ARG 702 N -3.09 0.12 0.30 0.00 1.74 -0.47 -1.20 116.66 114.06 1p80 n ARG 702 Ca -0.03 0.51 0.19 0.00 -0.77 0.00 0.00 57.85 57.75 1p80 n ARG 702 Cb 0.13 -1.81 0.87 0.00 -1.02 0.00 0.00 32.46 30.62 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 1.57 -1.39 -1.71 116.57 120.59 1p80 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p80 h LYS 703 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1p80 h LYS 703 CO 0.00 0.02 0.00 1.19 -0.57 0.00 0.00 179.45 180.09 1p80 n PHE 704 N -3.15 0.46 -0.09 -1.35 3.01 -0.34 -3.20 117.46 112.78 1p80 n PHE 704 Ca -0.01 0.17 0.18 0.00 1.01 0.00 0.00 57.45 58.81 1p80 n PHE 704 Cb 0.22 -0.78 0.60 0.00 -0.01 0.00 0.00 39.48 39.51 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 0.20 -0.54 -1.08 1.57 -1.51 -1.37 116.57 113.84 1p80 h LYS 705 Ca 0.00 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1p80 h LYS 705 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1p80 h LYS 705 CO 0.00 0.13 0.07 0.00 -0.57 0.00 0.00 179.45 179.09 1p80 h ALA 706 N 1.68 1.11 0.00 3.86 0.00 -1.78 0.12 119.26 124.24 1p80 h ALA 706 Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1p80 h ALA 706 Cb 0.98 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1p80 h ALA 706 CO -0.06 0.58 -0.35 0.00 0.00 0.00 0.00 179.25 179.42 1p80 h THR 707 N 0.83 1.17 -0.51 0.00 1.03 -1.48 -2.62 112.91 111.33 1p80 h THR 707 Ca 0.17 -1.22 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 1p80 h THR 707 Cb 0.39 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 1p80 h THR 707 CO 0.01 0.34 0.00 2.30 -0.01 0.00 0.00 175.52 178.16 1p80 n ILE 708 N -4.01 1.59 -3.59 0.00 -5.35 -1.16 -4.91 119.36 101.92 1p80 n ILE 708 Ca -0.02 -1.23 -0.22 0.00 -0.27 0.00 0.00 62.75 61.01 1p80 n ILE 708 Cb 0.40 0.21 0.07 0.00 -1.74 0.00 0.00 39.64 38.58 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 0.75 -6.74 -3.42 6.28 4.01 -0.77 -4.99 118.16 113.28 1p80 n LYS 709 Ca 0.21 0.78 -0.38 0.00 -0.51 0.00 0.00 58.31 58.41 1p80 n LYS 709 Cb 0.73 -5.73 -0.06 0.00 -0.51 0.00 0.00 35.03 29.46 1p80 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1p80 s ILE 710 N -3.38 4.92 0.76 -0.18 -1.09 0.35 -5.01 121.20 117.57 1p80 s ILE 710 Ca 0.29 0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 59.53 1p80 s ILE 710 Cb -0.13 -3.77 0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1p80 s ILE 710 CO 0.75 0.52 1.09 0.00 -1.23 0.00 0.00 174.94 176.08 1p80 s ALA 711 N -1.15 2.46 0.46 9.38 0.00 -1.26 -4.66 121.76 127.00 1p80 s ALA 711 Ca 0.27 -0.20 0.15 0.00 0.00 0.00 0.00 51.96 52.18 1p80 s ALA 711 Cb -0.17 -3.10 1.06 0.00 0.00 0.00 0.00 23.12 20.91 1p80 s ALA 711 CO 0.16 -1.51 2.02 -0.44 0.00 0.00 0.00 175.76 175.99 1p80 h ASP 712 N -0.93 0.00 0.76 0.00 3.32 -2.00 -1.05 116.42 116.53 1p80 h ASP 712 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1p80 h ASP 712 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1p80 h ASP 712 CO 0.60 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 1p80 n GLN 713 N -4.35 0.04 0.00 3.56 10.64 -1.26 -5.02 117.38 120.99 1p80 n GLN 713 Ca -0.03 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 1p80 n GLN 713 Cb 0.21 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 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 0.58 -2.50 3.51 2.61 0.00 -0.40 -5.04 105.19 103.94 1p80 n GLY 714 Ca 0.05 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 1p80 n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p80 s GLU 715 N -0.49 1.01 0.21 1.61 -1.05 -1.26 -4.63 118.70 114.11 1p80 s GLU 715 Ca 0.00 0.28 -0.32 0.00 -0.15 0.00 0.00 54.97 54.79 1p80 s GLU 715 Cb 0.00 0.48 -0.12 0.00 -0.44 0.00 0.00 34.13 34.05 1p80 s GLU 715 CO 0.00 -0.30 1.68 -1.21 0.95 0.00 0.00 175.26 176.38 1p80 s GLU 716 N -1.08 4.14 0.00 -4.83 0.41 -1.26 -2.13 118.70 113.95 1p80 s GLU 716 Ca -0.10 2.57 0.00 0.00 -0.41 0.00 0.00 54.97 57.03 1p80 s GLU 716 Cb -0.01 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 1p80 s GLU 716 CO 0.09 -0.72 0.00 0.41 -0.49 0.00 0.00 175.26 174.55 1p80 n GLY 717 N 3.69 2.50 3.17 -1.39 0.00 -1.26 -4.86 105.19 107.04 1p80 n GLY 717 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.41 2.90 0.03 -0.61 -1.09 -0.91 -2.59 121.20 116.53 1p80 s ILE 718 Ca 0.00 -1.35 -0.23 0.00 -2.23 0.00 0.00 60.65 56.85 1p80 s ILE 718 Cb 0.00 -2.64 -0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1p80 s ILE 718 CO 0.00 -0.05 0.68 -0.69 -1.23 0.00 0.00 174.94 173.65 1p80 s VAL 719 N 1.25 4.79 -0.07 2.92 1.01 0.70 -4.55 120.40 126.45 1p80 s VAL 719 Ca -0.05 1.44 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1p80 s VAL 719 Cb -0.19 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.20 1p80 s VAL 719 CO -0.02 0.41 0.40 -1.83 0.00 0.00 0.00 175.10 174.06 1p80 s GLU 720 N -0.24 0.67 0.16 2.72 -1.05 -1.26 -0.04 118.70 119.66 1p80 s GLU 720 Ca 0.34 0.13 -0.23 0.00 -0.15 0.00 0.00 54.97 55.07 1p80 s GLU 720 Cb -0.20 0.31 0.08 0.00 -0.44 0.00 0.00 34.13 33.88 1p80 s GLU 720 CO 0.20 -0.16 1.07 0.00 0.95 0.00 0.00 175.26 177.32 1p80 s ALA 721 N -0.80 -1.71 0.18 -0.84 0.00 -1.17 -5.01 121.76 112.40 1p80 s ALA 721 Ca -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1p80 s ALA 721 Cb -0.04 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.93 1p80 s ALA 721 CO 0.04 -1.08 1.44 -0.44 0.00 0.00 0.00 175.76 175.72 1p80 h ASP 722 N 2.00 0.54 -4.49 0.00 3.32 -1.92 -0.16 116.42 115.72 1p80 h ASP 722 Ca -0.27 -0.34 -0.24 0.00 0.02 0.00 0.00 57.03 56.20 1p80 h ASP 722 Cb 1.21 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.46 1p80 h ASP 722 CO 0.36 1.07 -0.70 -0.94 -1.72 0.00 0.00 179.24 177.31 1p80 s SER 723 N -6.97 1.26 0.00 6.45 1.04 -1.26 -2.83 113.70 111.39 1p80 s SER 723 Ca -0.06 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1p80 s SER 723 Cb 0.10 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1p80 s SER 723 CO 0.84 -0.44 0.65 0.00 0.98 0.00 0.00 173.24 175.27 1p80 n ALA 724 N -0.08 2.22 -2.42 5.32 0.00 -1.26 -4.83 120.51 119.47 1p80 n ALA 724 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1p80 n ALA 724 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1p80 n ALA 724 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1p80 n ASP 725 N 0.48 2.92 0.00 0.00 -0.08 -1.26 -4.38 116.55 114.23 1p80 n ASP 725 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1p80 n ASP 725 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1p80 n ASP 725 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p80 n GLY 726 N 0.00 1.79 0.92 0.27 0.00 -1.26 -2.24 105.19 104.67 1p80 n GLY 726 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1p80 n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 727 N 8.90 3.69 -0.08 1.61 3.41 -1.26 -4.53 113.62 125.36 1p80 n SER 727 Ca 0.00 -2.54 -0.12 0.00 -0.26 0.00 0.00 58.87 55.95 1p80 n SER 727 Cb 0.00 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 1p80 n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1p80 h PHE 728 N 2.26 0.49 -0.05 7.33 3.04 -1.76 -1.82 116.94 126.43 1p80 h PHE 728 Ca 0.00 -0.10 -0.18 0.00 3.98 0.00 0.00 57.97 61.67 1p80 h PHE 728 Cb 1.19 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 1p80 h PHE 728 CO 0.45 0.65 -0.74 0.52 -2.02 0.00 0.00 178.31 177.17 1p80 h MET 729 N 0.18 0.31 -0.78 1.11 2.86 -1.80 -2.26 114.93 114.56 1p80 h MET 729 Ca 0.06 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1p80 h MET 729 Cb 0.48 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1p80 h MET 729 CO 0.02 0.91 0.31 -0.44 1.06 0.00 0.00 176.91 178.77 1p80 h ASP 730 N 0.21 1.07 -0.35 1.22 3.32 -1.82 -0.12 116.42 119.94 1p80 h ASP 730 Ca -0.03 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1p80 h ASP 730 Cb 1.31 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1p80 h ASP 730 CO 0.12 0.95 0.17 -0.33 -1.72 0.00 0.00 179.24 178.44 1p80 h GLU 731 N 1.13 0.50 -0.54 3.56 5.08 -1.19 -1.08 114.58 122.03 1p80 h GLU 731 Ca 0.26 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1p80 h GLU 731 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1p80 h GLU 731 CO -0.02 0.45 0.12 1.25 -1.00 0.00 0.00 179.01 179.81 1p80 h LEU 732 N 0.43 0.84 -1.36 1.33 7.12 -1.10 -1.74 115.31 120.83 1p80 h LEU 732 Ca 0.12 -0.24 -0.07 0.00 0.13 0.00 0.00 57.88 57.82 1p80 h LEU 732 Cb 0.11 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 1p80 h LEU 732 CO -0.02 0.87 -0.32 -0.07 -0.13 0.00 0.00 178.44 178.77 1p80 h LEU 733 N 0.77 0.00 -0.45 2.25 -0.00 -0.93 -0.15 115.31 116.80 1p80 h LEU 733 Ca 0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.90 1p80 h LEU 733 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1p80 h LEU 733 CO 0.01 0.32 -0.34 0.74 -0.00 0.00 0.00 178.44 179.17 1p80 h THR 734 N 0.00 1.27 -0.52 0.22 2.02 -0.97 -0.63 112.91 114.31 1p80 h THR 734 Ca -0.00 -1.51 -0.07 0.00 0.77 0.00 0.00 66.41 65.60 1p80 h THR 734 Cb 0.58 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1p80 h THR 734 CO 0.04 0.51 0.05 -0.07 0.37 0.00 0.00 175.52 176.42 1p80 h LEU 735 N 0.76 0.85 -1.28 2.58 3.38 -0.38 -2.83 115.31 118.39 1p80 h LEU 735 Ca 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1p80 h LEU 735 Cb 0.92 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1p80 h LEU 735 CO 0.09 0.92 0.19 0.24 0.09 0.00 0.00 178.44 179.96 1p80 h MET 736 N 0.75 0.68 0.00 1.13 2.86 -0.86 -1.97 114.93 117.53 1p80 h MET 736 Ca 0.15 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1p80 h MET 736 Cb 0.45 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1p80 h MET 736 CO 0.02 0.57 -0.09 0.00 1.06 0.00 0.00 176.91 178.47 1p80 h ALA 737 N 1.53 1.37 -0.21 6.32 0.00 -0.87 -0.32 119.26 127.07 1p80 h ALA 737 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p80 h ALA 737 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p80 h ALA 737 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1p80 n ALA 738 N -2.30 2.50 0.00 0.00 0.00 -0.76 -3.77 120.51 116.18 1p80 n ALA 738 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1p80 n ALA 738 Cb 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.60 0.00 -4.20 0.00 -0.00 -0.13 -4.77 115.22 106.72 1p80 n HIS 739 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.76 1p80 n HIS 739 Cb 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.28 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 0.91 -1.03 1.57 1.81 -1.26 -4.71 118.95 116.24 1p80 s ARG 740 Ca 0.00 -1.32 -0.15 0.00 -1.72 0.00 0.00 55.73 52.55 1p80 s ARG 740 Cb 0.00 -0.44 0.19 0.00 -0.45 0.00 0.00 34.95 34.25 1p80 s ARG 740 CO 0.00 0.04 1.15 0.08 -0.68 0.00 0.00 175.30 175.89 1p80 s VAL 741 N -3.17 5.23 0.45 3.52 1.01 0.15 -4.86 120.40 122.73 1p80 s VAL 741 Ca 0.11 -2.41 0.19 0.00 0.00 0.00 0.00 61.98 59.87 1p80 s VAL 741 Cb 0.02 -4.73 0.23 0.00 0.00 0.00 0.00 36.38 31.90 1p80 s VAL 741 CO -0.02 -1.39 2.04 -0.50 0.00 0.00 0.00 175.10 175.23 1p80 h TRP 742 N 7.72 0.00 0.00 5.22 4.06 -1.93 -2.31 115.95 128.71 1p80 h TRP 742 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1p80 h TRP 742 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 1p80 h TRP 742 CO 1.05 0.15 0.00 0.66 -3.56 0.00 0.00 178.44 176.73 1p80 h SER 743 N 0.00 0.00 0.60 -3.49 4.64 -1.95 -2.73 113.55 110.62 1p80 h SER 743 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p80 h SER 743 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1p80 h SER 743 CO 0.02 0.00 -0.03 -1.14 -0.87 0.00 0.00 176.83 174.81 1p80 n ARG 744 N -2.59 0.39 -0.10 4.77 0.63 -0.87 -4.32 116.66 114.57 1p80 n ARG 744 Ca 0.00 -0.03 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 1p80 n ARG 744 Cb 0.20 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.62 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 0.07 0.71 -0.47 5.15 2.04 -1.66 0.04 117.51 123.39 1p80 h ILE 745 Ca 0.00 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1p80 h ILE 745 Cb 0.33 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1p80 h ILE 745 CO 0.00 0.01 0.39 -0.65 0.00 0.00 0.00 178.15 177.90 1p80 h PRO 746 N 0.06 0.00 0.00 2.37 0.11 -1.85 -2.65 132.00 130.04 1p80 h PRO 746 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1p80 h PRO 746 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1p80 h PRO 746 CO -0.31 0.00 -0.73 1.63 -0.21 0.00 0.00 178.00 178.38 1p80 n LYS 747 N -4.11 0.29 0.22 1.05 5.02 -0.01 -4.41 118.16 116.21 1p80 n LYS 747 Ca 0.09 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 1p80 n LYS 747 Cb 0.60 -1.66 0.31 0.00 -0.02 0.00 0.00 35.03 34.26 1p80 n LYS 747 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1p80 h ILE 748 N 0.00 0.25 0.00 -0.18 3.07 -1.36 -3.29 117.51 116.00 1p80 h ILE 748 Ca 0.00 -1.13 -0.02 0.00 1.55 0.00 0.00 64.86 65.26 1p80 h ILE 748 Cb 0.74 1.93 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 1p80 h ILE 748 CO 0.00 0.12 -0.11 0.44 -1.05 0.00 0.00 178.15 177.56 1p80 h ASP 749 N 0.00 0.00 1.55 2.16 5.19 -1.77 -1.91 116.42 121.64 1p80 h ASP 749 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1p80 h ASP 749 Cb 0.92 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 1p80 h ASP 749 CO 0.02 0.11 -0.16 0.11 -3.12 0.00 0.00 179.24 176.19 1p80 h LYS 750 N 0.00 0.00 -6.20 3.56 6.56 -1.88 -3.44 116.57 115.16 1p80 h LYS 750 Ca -0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.02 1p80 h LYS 750 Cb 0.24 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.85 1p80 h LYS 750 CO 0.01 0.16 0.71 -1.50 -2.06 0.00 0.00 179.45 176.77 1p80 s ILE 751 N -3.29 4.57 -1.25 1.86 2.07 -0.72 -4.95 121.20 119.49 1p80 s ILE 751 Ca 0.04 1.87 -0.19 0.00 -1.41 0.00 0.00 60.65 60.96 1p80 s ILE 751 Cb 0.07 -4.20 0.06 0.00 0.13 0.00 0.00 42.46 38.52 1p80 s ILE 751 CO 0.66 -0.07 1.71 -2.16 -1.91 0.00 0.00 174.94 173.17 1p80 s PRO 752 N 2.60 3.84 0.00 3.50 0.04 -1.26 -5.06 135.00 138.67 1p80 s PRO 752 Ca 0.50 -1.81 0.00 0.00 0.04 0.00 0.00 61.00 59.72 1p80 s PRO 752 Cb -0.19 -5.49 0.00 0.00 0.04 0.00 0.00 34.50 28.85 1p80 s PRO 752 CO 0.15 -2.35 0.00 0.00 0.04 0.00 0.00 177.00 174.84