#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aof s PRO 27 N 0.00 2.31 -0.22 3.49 0.04 -1.26 -4.96 135.00 134.39 1aof s PRO 27 Ca 0.00 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 1aof s PRO 27 Cb 0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1aof s PRO 27 CO 0.00 -1.69 -0.04 0.45 0.04 0.00 0.00 177.00 175.76 1aof s SER 28 N -2.14 4.29 -0.92 6.66 0.15 -1.26 -3.53 113.70 116.94 1aof s SER 28 Ca 0.73 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.94 1aof s SER 28 Cb -0.27 -1.73 0.33 0.00 -1.71 0.00 0.00 66.02 62.64 1aof s SER 28 CO 0.44 -0.03 1.83 0.18 1.20 0.00 0.00 173.24 176.86 1aof n LEU 29 N 4.79 7.19 0.32 3.45 4.77 -0.50 -4.81 117.00 132.20 1aof n LEU 29 Ca -0.18 -5.21 0.19 0.00 -0.03 0.00 0.00 56.01 50.78 1aof n LEU 29 Cb 0.51 -1.08 1.08 0.00 -2.33 0.00 0.00 43.42 41.59 1aof n LEU 29 CO 0.29 1.97 1.15 -2.24 -1.33 0.00 0.00 177.39 177.23 1aof h ASP 30 N 3.67 0.00 0.57 -1.43 2.03 -1.86 -1.51 116.42 117.87 1aof h ASP 30 Ca 0.52 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.62 1aof h ASP 30 Cb 0.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1aof h ASP 30 CO 1.24 0.00 -0.87 -1.13 -1.03 0.00 0.00 179.24 177.45 1aof h ASN 31 N 0.00 0.27 0.04 4.15 -0.73 -1.87 -2.78 115.58 114.66 1aof h ASN 31 Ca -0.00 -0.22 -0.17 0.00 1.87 0.00 0.00 56.30 57.78 1aof h ASN 31 Cb 0.02 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.52 1aof h ASN 31 CO 0.00 1.02 -0.61 -0.07 -0.37 0.00 0.00 177.43 177.40 1aof h LEU 32 N 0.12 0.64 -1.10 0.34 3.38 -1.53 -3.10 115.31 114.06 1aof h LEU 32 Ca -0.04 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.65 1aof h LEU 32 Cb 1.50 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1aof h LEU 32 CO 0.13 1.10 0.61 0.00 0.09 0.00 0.00 178.44 180.38 1aof h ALA 33 N 0.90 1.54 0.00 1.53 0.00 -1.23 -1.28 119.26 120.72 1aof h ALA 33 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aof h ALA 33 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1aof h ALA 33 CO 0.12 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1aof n GLN 34 N -4.54 0.58 -3.12 0.00 10.64 -1.06 -4.32 117.38 115.56 1aof n GLN 34 Ca 0.16 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.94 1aof n GLN 34 Cb 0.28 -1.00 -0.05 0.00 -0.86 0.00 0.00 30.24 28.61 1aof n GLN 34 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1aof s GLN 35 N -2.00 4.34 -0.15 2.61 0.74 -0.48 -5.04 119.66 119.68 1aof s GLN 35 Ca 0.00 0.72 -0.20 0.00 0.05 0.00 0.00 55.36 55.92 1aof s GLN 35 Cb 0.00 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1aof s GLN 35 CO 0.00 -0.03 0.60 0.34 -0.55 0.00 0.00 175.29 175.65 1aof s ASP 36 N 0.90 6.74 0.10 6.67 2.15 -1.26 -4.89 116.67 127.09 1aof s ASP 36 Ca 0.32 0.90 0.07 0.00 0.43 0.00 0.00 52.55 54.27 1aof s ASP 36 Cb -0.16 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1aof s ASP 36 CO 0.14 -0.16 -0.19 0.68 -0.17 0.00 0.00 175.17 175.47 1aof s VAL 37 N 1.29 1.56 0.15 1.11 -7.23 -1.26 -5.13 120.40 110.89 1aof s VAL 37 Ca 0.30 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 1aof s VAL 37 Cb -0.16 -1.47 -0.07 0.00 0.56 0.00 0.00 36.38 35.24 1aof s VAL 37 CO 0.12 -0.15 0.96 0.00 -0.31 0.00 0.00 175.10 175.72 1aof s ALA 38 N -1.35 3.27 0.19 1.32 0.00 -1.26 -4.66 121.76 119.28 1aof s ALA 38 Ca 0.06 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 1aof s ALA 38 Cb -0.09 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1aof s ALA 38 CO 0.04 0.04 1.47 0.00 0.00 0.00 0.00 175.76 177.31 1aof s ALA 39 N -0.35 3.67 0.64 0.00 0.00 -1.26 -5.01 121.76 119.45 1aof s ALA 39 Ca 0.45 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 1aof s ALA 39 Cb -0.24 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1aof s ALA 39 CO 0.31 -0.72 1.03 -1.25 0.00 0.00 0.00 175.76 175.13 1aof s PRO 40 N 0.44 3.26 0.78 0.00 0.04 -1.26 -4.96 135.00 133.30 1aof s PRO 40 Ca 0.64 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 1aof s PRO 40 Cb -0.41 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.10 1aof s PRO 40 CO 0.36 -0.74 1.08 0.20 0.04 0.00 0.00 177.00 177.95 1aof s GLY 41 N -4.25 1.65 -0.20 0.56 0.00 -1.26 -4.73 107.32 99.09 1aof s GLY 41 Ca 0.56 0.07 -0.10 0.00 0.00 0.00 0.00 44.72 45.24 1aof s GLY 41 CO 0.52 0.44 0.14 0.00 0.00 0.00 0.00 173.10 174.21 1aof s ALA 42 N -3.00 3.68 0.95 3.20 0.00 -1.26 -4.77 121.76 120.56 1aof s ALA 42 Ca 0.61 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1aof s ALA 42 Cb -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1aof s ALA 42 CO 0.56 0.12 0.00 -0.35 0.00 0.00 0.00 175.76 176.09 1aof n PRO 43 N 3.60 0.25 -1.70 0.00 -0.04 -1.26 -4.90 135.00 130.95 1aof n PRO 43 Ca -0.16 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.87 1aof n PRO 43 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1aof n PRO 43 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1aof n GLU 44 N -0.82 2.56 -1.03 0.54 2.13 -1.26 -2.13 120.64 120.63 1aof n GLU 44 Ca 0.00 0.92 -0.01 0.00 0.66 0.00 0.00 57.16 58.73 1aof n GLU 44 Cb 0.00 -2.75 -0.00 0.00 0.27 0.00 0.00 31.44 28.96 1aof n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aof n GLY 45 N 3.80 0.45 3.23 8.31 0.00 -1.26 -5.02 105.19 114.69 1aof n GLY 45 Ca 0.17 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1aof n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aof s VAL 46 N -1.81 1.58 0.11 1.61 1.01 -0.90 -5.07 120.40 116.94 1aof s VAL 46 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1aof s VAL 46 Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 1aof s VAL 46 CO 0.00 0.26 0.57 -0.89 0.00 0.00 0.00 175.10 175.04 1aof s THR 47 N -0.70 4.77 0.29 3.92 2.01 -1.26 -4.57 115.64 120.11 1aof s THR 47 Ca 0.07 1.06 -0.11 0.00 0.31 0.00 0.00 61.69 63.02 1aof s THR 47 Cb -0.08 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1aof s THR 47 CO 0.01 0.40 0.64 0.00 -0.69 0.00 0.00 174.62 174.98 1aof s ALA 48 N -1.29 3.46 0.06 7.40 0.00 -1.26 -4.87 121.76 125.26 1aof s ALA 48 Ca 0.34 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1aof s ALA 48 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1aof s ALA 48 CO 0.19 0.35 -0.06 -0.51 0.00 0.00 0.00 175.76 175.74 1aof s LEU 49 N -3.09 3.23 0.87 0.00 1.43 -1.26 -5.07 118.68 114.78 1aof s LEU 49 Ca 0.50 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1aof s LEU 49 Cb -0.11 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.29 1aof s LEU 49 CO 0.22 0.22 1.10 -0.94 0.23 0.00 0.00 176.35 177.19 1aof s SER 50 N -1.90 3.84 0.30 2.29 1.04 -1.26 -4.74 113.70 113.28 1aof s SER 50 Ca 0.21 1.26 0.02 0.00 0.48 0.00 0.00 55.95 57.91 1aof s SER 50 Cb -0.11 -1.94 0.57 0.00 0.10 0.00 0.00 66.02 64.64 1aof s SER 50 CO 0.12 -2.37 1.89 0.44 0.98 0.00 0.00 173.24 174.30 1aof h ASP 51 N -1.37 0.88 -0.24 7.02 3.32 -1.95 0.27 116.42 124.35 1aof h ASP 51 Ca -0.49 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1aof h ASP 51 Cb 1.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1aof h ASP 51 CO 0.59 0.53 -0.03 0.00 -1.72 0.00 0.00 179.24 178.61 1aof h ALA 52 N 1.53 0.33 -0.35 3.45 0.00 -1.95 -1.30 119.26 120.97 1aof h ALA 52 Ca 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1aof h ALA 52 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1aof h ALA 52 CO -0.18 0.09 0.09 1.96 0.00 0.00 0.00 179.25 181.21 1aof h GLN 53 N 0.21 0.55 -0.26 0.00 4.20 -1.79 -1.74 115.11 116.28 1aof h GLN 53 Ca 0.07 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1aof h GLN 53 Cb 0.46 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1aof h GLN 53 CO 0.02 0.59 0.15 -0.92 -0.67 0.00 0.00 178.83 178.00 1aof h TYR 54 N 0.41 0.35 -0.41 2.96 3.20 -0.92 -1.34 116.97 121.21 1aof h TYR 54 Ca 0.11 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1aof h TYR 54 Cb 0.28 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1aof h TYR 54 CO 0.01 0.27 0.07 -0.91 -1.64 0.00 0.00 178.16 175.96 1aof h ASN 55 N 0.32 0.57 -0.22 -2.11 2.35 -1.18 0.34 115.58 115.65 1aof h ASN 55 Ca 0.09 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1aof h ASN 55 Cb 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1aof h ASN 55 CO -0.02 0.60 0.02 -0.08 -1.65 0.00 0.00 177.43 176.31 1aof h GLU 56 N 0.60 0.37 -0.26 0.81 4.81 -1.04 -1.66 114.58 118.21 1aof h GLU 56 Ca 0.13 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1aof h GLU 56 Cb 0.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1aof h GLU 56 CO 0.00 0.53 -0.12 0.00 -0.73 0.00 0.00 179.01 178.69 1aof h ALA 57 N 0.83 1.31 -0.32 2.92 0.00 -0.73 -2.70 119.26 120.57 1aof h ALA 57 Ca 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1aof h ALA 57 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1aof h ALA 57 CO 0.01 0.46 -0.04 -0.97 0.00 0.00 0.00 179.25 178.71 1aof h ASN 58 N 0.40 0.59 -0.71 0.00 -0.73 -0.09 -1.11 115.58 113.93 1aof h ASN 58 Ca 0.08 -0.34 -0.02 0.00 1.87 0.00 0.00 56.30 57.89 1aof h ASN 58 Cb 0.46 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.86 1aof h ASN 58 CO 0.03 0.79 0.37 0.11 -0.37 0.00 0.00 177.43 178.36 1aof h LYS 59 N 0.37 1.01 -0.20 6.67 1.57 -1.17 -2.13 116.57 122.69 1aof h LYS 59 Ca 0.08 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1aof h LYS 59 Cb 0.51 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1aof h LYS 59 CO 0.02 0.77 0.11 0.82 -0.57 0.00 0.00 179.45 180.60 1aof h ILE 60 N 0.99 1.11 -0.23 1.86 2.04 -1.36 -1.82 117.51 120.10 1aof h ILE 60 Ca 0.25 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1aof h ILE 60 Cb 0.07 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1aof h ILE 60 CO -0.04 0.11 -0.15 0.22 0.00 0.00 0.00 178.15 178.29 1aof h TYR 61 N 0.22 -0.39 -0.03 1.37 3.20 -0.72 0.14 116.97 120.76 1aof h TYR 61 Ca 0.07 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1aof h TYR 61 Cb 0.07 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1aof h TYR 61 CO -0.04 -0.22 -0.49 0.74 -1.64 0.00 0.00 178.16 176.51 1aof h PHE 62 N -0.14 0.10 0.09 -3.82 0.04 -1.33 0.26 116.94 112.14 1aof h PHE 62 Ca 0.13 -0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.61 1aof h PHE 62 Cb 0.34 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1aof h PHE 62 CO -0.32 0.56 -1.15 0.93 -0.60 0.00 0.00 178.31 177.73 1aof h GLU 63 N 0.07 0.30 0.00 1.51 5.08 -0.93 -1.34 114.58 119.27 1aof h GLU 63 Ca 0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1aof h GLU 63 Cb 0.89 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1aof h GLU 63 CO 0.07 1.18 -1.16 0.54 -1.00 0.00 0.00 179.01 178.64 1aof n ARG 64 N -3.59 2.65 -0.07 2.33 1.74 0.47 -4.29 116.66 115.90 1aof n ARG 64 Ca -0.08 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 1aof n ARG 64 Cb 0.97 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 31.25 1aof n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aof h ALA 66 N 0.34 1.44 -0.46 0.00 0.00 -0.89 -1.02 119.26 118.67 1aof h ALA 66 Ca -0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1aof h ALA 66 Cb 1.68 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1aof h ALA 66 CO -0.02 -0.16 0.15 0.78 0.00 0.00 0.00 179.25 180.01 1aof h GLY 67 N 0.00 0.76 0.68 0.00 0.00 -1.82 0.76 103.07 103.44 1aof h GLY 67 Ca 0.03 -0.44 -0.32 0.00 0.00 0.00 0.00 47.33 46.59 1aof h GLY 67 CO -0.00 0.42 -1.93 0.00 0.00 0.00 0.00 176.54 175.03 1aof n HIS 69 N -3.08 0.00 0.00 0.00 8.25 -0.43 0.06 115.22 120.02 1aof n HIS 69 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1aof n HIS 69 Cb 1.07 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1aof n HIS 69 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aof n GLY 70 N 1.46 -0.43 0.32 -1.41 0.00 0.26 -0.65 105.19 104.74 1aof n GLY 70 Ca 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1aof n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1aof h VAL 71 N 0.00 1.18 -0.25 1.61 2.07 -1.95 -2.10 116.25 116.82 1aof h VAL 71 Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1aof h VAL 71 Cb 0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1aof h VAL 71 CO 0.00 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.98 1aof n LEU 72 N -4.38 2.44 -1.13 2.57 4.77 -1.26 -4.91 117.00 115.09 1aof n LEU 72 Ca 0.05 -1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 54.87 1aof n LEU 72 Cb 0.11 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1aof n LEU 72 CO 0.37 0.51 -0.14 0.54 -1.33 0.00 0.00 177.39 177.34 1aof n ARG 73 N 0.83 -1.02 0.00 3.23 1.74 -0.79 -4.85 116.66 115.81 1aof n ARG 73 Ca 0.17 1.01 0.14 0.00 -0.77 0.00 0.00 57.85 58.40 1aof n ARG 73 Cb 0.45 -5.13 0.58 0.00 -1.02 0.00 0.00 32.46 27.34 1aof n ARG 73 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1aof n LYS 74 N -2.57 0.20 0.00 5.56 4.01 -1.20 -0.30 118.16 123.86 1aof n LYS 74 Ca -0.15 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1aof n LYS 74 Cb 0.48 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1aof n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aof n GLY 75 N 1.42 0.58 0.00 0.72 0.00 0.17 -4.40 105.19 103.68 1aof n GLY 75 Ca 0.09 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1aof n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aof n ALA 76 N 0.91 0.45 0.05 4.61 0.00 -1.04 -4.69 120.51 120.81 1aof n ALA 76 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1aof n ALA 76 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1aof n ALA 76 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1aof h THR 77 N 0.00 1.32 -2.97 0.00 2.02 -1.31 -3.46 112.91 108.52 1aof h THR 77 Ca 0.00 -2.52 -0.46 0.00 0.77 0.00 0.00 66.41 64.21 1aof h THR 77 Cb 0.00 3.02 0.04 0.00 -1.74 0.00 0.00 68.15 69.48 1aof h THR 77 CO 0.00 0.73 0.01 -0.83 0.37 0.00 0.00 175.52 175.80 1aof s GLY 78 N -4.63 1.66 1.08 2.16 0.00 0.11 -5.01 107.32 102.69 1aof s GLY 78 Ca -0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 1aof s GLY 78 CO 0.83 -0.80 1.06 0.54 0.00 0.00 0.00 173.10 174.73 1aof s LYS 79 N -4.77 -0.27 0.33 2.90 1.02 -1.26 -4.48 119.74 113.20 1aof s LYS 79 Ca 0.53 0.85 -0.27 0.00 0.02 0.00 0.00 55.97 57.11 1aof s LYS 79 Cb -0.10 -1.63 -0.09 0.00 -0.52 0.00 0.00 37.83 35.49 1aof s LYS 79 CO 0.40 -3.29 1.04 0.00 -0.92 0.00 0.00 175.35 172.58 1aof s ALA 80 N -2.62 3.25 -0.22 5.17 0.00 -1.26 -4.23 121.76 121.85 1aof s ALA 80 Ca 0.67 0.74 0.13 0.00 0.00 0.00 0.00 51.96 53.50 1aof s ALA 80 Cb -0.23 -3.27 0.44 0.00 0.00 0.00 0.00 23.12 20.06 1aof s ALA 80 CO 0.62 -0.10 1.19 1.28 0.00 0.00 0.00 175.76 178.75 1aof n LEU 81 N 0.65 3.13 -4.79 0.00 4.77 0.59 -4.91 117.00 116.43 1aof n LEU 81 Ca 0.02 -3.87 -0.35 0.00 -0.03 0.00 0.00 56.01 51.78 1aof n LEU 81 Cb 0.48 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1aof n LEU 81 CO 0.49 1.49 0.74 0.42 -1.33 0.00 0.00 177.39 179.20 1aof s THR 82 N -3.34 3.62 0.31 -5.08 -4.23 -1.21 -4.73 115.64 100.98 1aof s THR 82 Ca 0.41 1.08 0.07 0.00 -1.18 0.00 0.00 61.69 62.07 1aof s THR 82 Cb 0.38 -3.48 0.35 0.00 1.34 0.00 0.00 72.50 71.09 1aof s THR 82 CO -0.04 -0.15 1.62 -0.65 -0.54 0.00 0.00 174.62 174.86 1aof h PRO 83 N 1.78 0.13 -0.79 3.99 0.11 -1.83 0.12 132.00 135.52 1aof h PRO 83 Ca -0.49 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.71 1aof h PRO 83 Cb 1.23 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1aof h PRO 83 CO 0.60 0.09 0.52 0.38 -0.21 0.00 0.00 178.00 179.37 1aof h ASP 84 N 0.13 0.63 0.07 -2.05 2.03 -1.95 -1.07 116.42 114.22 1aof h ASP 84 Ca 0.64 0.02 -0.24 0.00 -0.73 0.00 0.00 57.03 56.72 1aof h ASP 84 Cb 1.40 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1aof h ASP 84 CO -0.74 0.37 -1.25 -0.07 -1.03 0.00 0.00 179.24 176.52 1aof h LEU 85 N 0.70 0.23 -0.65 0.15 3.38 -1.17 -3.37 115.31 114.59 1aof h LEU 85 Ca 0.37 -0.78 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1aof h LEU 85 Cb 0.48 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1aof h LEU 85 CO -0.14 1.53 0.08 0.71 0.09 0.00 0.00 178.44 180.71 1aof h THR 86 N -0.55 1.26 0.00 0.22 1.35 -1.17 -2.75 112.91 111.28 1aof h THR 86 Ca -0.29 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.48 1aof h THR 86 Cb 1.57 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1aof h THR 86 CO -0.02 0.40 -0.08 0.03 -0.25 0.00 0.00 175.52 175.59 1aof h ARG 87 N 1.00 0.00 0.00 4.72 3.08 -1.40 -0.10 114.38 121.69 1aof h ARG 87 Ca 0.19 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.03 1aof h ARG 87 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1aof h ARG 87 CO 0.02 0.08 -0.92 -0.44 -1.07 0.00 0.00 179.97 177.64 1aof h ASP 88 N 0.00 0.44 -0.21 7.04 5.19 -1.65 -3.23 116.42 124.01 1aof h ASP 88 Ca -0.00 -0.36 -0.18 0.00 -0.62 0.00 0.00 57.03 55.87 1aof h ASP 88 Cb 0.18 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1aof h ASP 88 CO 0.01 1.16 -0.55 -0.07 -3.12 0.00 0.00 179.24 176.67 1aof h LEU 89 N 0.19 0.89 0.00 1.55 3.38 -1.01 -3.50 115.31 116.81 1aof h LEU 89 Ca -0.07 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1aof h LEU 89 Cb 1.56 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1aof h LEU 89 CO 0.15 1.26 0.00 0.61 0.09 0.00 0.00 178.44 180.55 1aof n GLY 90 N 0.34 -0.77 0.17 0.83 0.00 -0.16 -4.32 105.19 101.27 1aof n GLY 90 Ca -0.04 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 1aof n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1aof h PHE 91 N 0.00 -0.13 -0.78 1.61 3.57 -1.90 -2.74 116.94 116.57 1aof h PHE 91 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1aof h PHE 91 Cb 0.00 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1aof h PHE 91 CO 0.00 -0.13 0.50 -0.44 -2.23 0.00 0.00 178.31 176.01 1aof h ASP 92 N 0.04 0.83 -0.13 0.41 3.32 -1.99 0.79 116.42 119.69 1aof h ASP 92 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1aof h ASP 92 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1aof h ASP 92 CO -0.38 0.58 0.08 0.22 -1.72 0.00 0.00 179.24 178.02 1aof h TYR 93 N 0.98 0.17 -0.02 4.55 5.03 -1.69 -1.63 116.97 124.36 1aof h TYR 93 Ca 0.31 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.62 1aof h TYR 93 Cb -0.00 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 1aof h TYR 93 CO -0.03 0.13 0.01 -0.07 -1.32 0.00 0.00 178.16 176.88 1aof h LEU 94 N 0.16 0.02 -0.54 2.82 3.38 -1.19 -1.91 115.31 118.05 1aof h LEU 94 Ca 0.05 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1aof h LEU 94 Cb 0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1aof h LEU 94 CO -0.01 0.10 0.07 -0.61 0.09 0.00 0.00 178.44 178.08 1aof h GLN 95 N -0.06 0.19 -0.38 1.13 4.15 -0.69 -0.94 115.11 118.52 1aof h GLN 95 Ca 0.01 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1aof h GLN 95 Cb 0.08 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1aof h GLN 95 CO -0.00 0.12 -0.01 0.66 -1.93 0.00 0.00 178.83 177.67 1aof h SER 96 N 0.19 0.67 -0.47 -0.69 4.64 -1.17 -1.89 113.55 114.83 1aof h SER 96 Ca 0.28 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1aof h SER 96 Cb 0.41 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1aof h SER 96 CO -0.40 0.82 0.23 0.15 -0.87 0.00 0.00 176.83 176.77 1aof h PHE 97 N 0.50 0.67 -0.54 4.77 3.04 -0.89 0.80 116.94 125.29 1aof h PHE 97 Ca 0.11 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 1aof h PHE 97 Cb 0.48 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1aof h PHE 97 CO 0.04 0.53 0.03 0.82 -2.02 0.00 0.00 178.31 177.71 1aof h ILE 98 N 0.61 1.25 0.44 1.41 2.04 -1.18 0.11 117.51 122.21 1aof h ILE 98 Ca 0.16 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1aof h ILE 98 Cb 0.10 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1aof h ILE 98 CO -0.02 0.37 -0.21 0.74 0.00 0.00 0.00 178.15 179.02 1aof h THR 99 N 0.84 0.43 0.00 -0.27 2.02 -0.85 -2.62 112.91 112.45 1aof h THR 99 Ca 0.16 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1aof h THR 99 Cb 0.45 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1aof h THR 99 CO 0.02 0.07 -0.94 -1.22 0.37 0.00 0.00 175.52 173.82 1aof n TYR 100 N -5.22 0.56 -4.22 3.16 4.01 0.23 -1.33 117.16 114.35 1aof n TYR 100 Ca -0.10 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1aof n TYR 100 Cb 0.30 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 1aof n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aof n ALA 101 N -1.96 0.00 -3.48 -0.72 0.00 0.03 -4.47 120.51 109.92 1aof n ALA 101 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1aof n ALA 101 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 1aof n ALA 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aof s SER 102 N -4.00 -0.61 0.35 0.00 0.15 0.10 -4.85 113.70 104.84 1aof s SER 102 Ca 0.00 0.39 0.17 0.00 0.70 0.00 0.00 55.95 57.21 1aof s SER 102 Cb 0.00 0.56 0.60 0.00 -1.71 0.00 0.00 66.02 65.47 1aof s SER 102 CO 0.00 -0.76 1.70 1.55 1.20 0.00 0.00 173.24 176.93 1aof h PRO 103 N 2.54 0.00 0.00 5.44 0.13 -1.94 -3.14 132.00 135.04 1aof h PRO 103 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1aof h PRO 103 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1aof h PRO 103 CO 0.38 0.42 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 1aof n ALA 104 N -2.31 1.25 0.00 -0.56 0.00 -1.26 -4.77 120.51 112.85 1aof n ALA 104 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1aof n ALA 104 Cb 0.54 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1aof n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aof n GLY 105 N -0.90 0.64 3.66 0.00 0.00 -1.19 -5.12 105.19 102.28 1aof n GLY 105 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1aof n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1aof s MET 106 N 0.00 4.27 0.48 1.61 -2.45 -1.21 -4.95 119.30 117.05 1aof s MET 106 Ca 0.00 1.47 -0.23 0.00 -1.25 0.00 0.00 55.69 55.68 1aof s MET 106 Cb 0.00 -3.67 -0.07 0.00 1.25 0.00 0.00 34.83 32.34 1aof s MET 106 CO 0.00 -0.62 1.24 -2.14 1.05 0.00 0.00 175.02 174.55 1aof s PRO 107 N 3.15 3.61 -1.37 4.11 0.02 -1.26 -0.72 135.00 142.55 1aof s PRO 107 Ca 0.48 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 63.35 1aof s PRO 107 Cb -0.18 -2.42 0.11 0.00 0.02 0.00 0.00 34.50 32.03 1aof s PRO 107 CO 0.10 -0.72 2.05 0.27 -0.33 0.00 0.00 177.00 178.37 1aof n ASN 108 N -0.54 4.49 -0.34 2.53 6.94 -1.26 -3.90 115.26 123.17 1aof n ASN 108 Ca 0.08 -2.98 0.10 0.00 -0.02 0.00 0.00 54.58 51.75 1aof n ASN 108 Cb 0.46 -1.57 0.27 0.00 -2.36 0.00 0.00 39.78 36.59 1aof n ASN 108 CO 0.00 0.00 0.00 -0.50 -1.03 0.00 0.00 177.26 175.73 1aof h TRP 109 N 5.87 1.02 0.24 -2.53 4.06 -1.56 -0.37 115.95 122.68 1aof h TRP 109 Ca 0.48 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.45 1aof h TRP 109 Cb 0.63 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1aof h TRP 109 CO 1.35 0.29 -0.12 0.78 -3.56 0.00 0.00 178.44 177.19 1aof h GLY 110 N 0.80 -0.34 2.00 1.49 0.00 -1.10 -0.60 103.07 105.33 1aof h GLY 110 Ca 0.53 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 1aof h GLY 110 CO -0.34 -0.12 -0.08 -0.91 0.00 0.00 0.00 176.54 175.08 1aof h THR 111 N -0.96 0.75 0.00 4.70 1.35 -1.16 -0.88 112.91 116.71 1aof h THR 111 Ca -0.03 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1aof h THR 111 Cb 0.25 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1aof h THR 111 CO 0.06 0.08 -0.02 0.77 -0.25 0.00 0.00 175.52 176.15 1aof h SER 112 N 0.00 0.00 0.00 5.36 4.64 -1.20 -3.46 113.55 118.89 1aof h SER 112 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aof h SER 112 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1aof h SER 112 CO 0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1aof n GLY 113 N 0.63 0.73 0.31 -0.77 0.00 -0.33 -4.92 105.19 100.85 1aof n GLY 113 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1aof n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1aof h GLU 114 N 2.60 0.89 -5.72 1.61 4.57 -1.64 -3.41 114.58 113.49 1aof h GLU 114 Ca 0.00 -0.16 -0.61 0.00 -1.18 0.00 0.00 59.36 57.41 1aof h GLU 114 Cb 0.00 -0.15 -0.31 0.00 -0.16 0.00 0.00 28.75 28.14 1aof h GLU 114 CO 0.00 0.76 -0.86 -0.51 -1.18 0.00 0.00 179.01 177.22 1aof s LEU 115 N -9.45 1.99 0.80 1.64 1.43 -0.28 -5.05 118.68 109.77 1aof s LEU 115 Ca -0.10 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1aof s LEU 115 Cb 0.16 -1.12 0.08 0.00 0.03 0.00 0.00 46.19 45.34 1aof s LEU 115 CO 0.80 0.21 1.09 -0.94 0.23 0.00 0.00 176.35 177.74 1aof s SER 116 N -0.17 4.22 0.31 2.29 1.04 -1.26 -4.44 113.70 115.70 1aof s SER 116 Ca -0.00 1.77 0.04 0.00 0.48 0.00 0.00 55.95 58.24 1aof s SER 116 Cb -0.11 -2.45 0.66 0.00 0.10 0.00 0.00 66.02 64.21 1aof s SER 116 CO 0.02 -2.21 1.86 0.00 0.98 0.00 0.00 173.24 173.89 1aof h ALA 117 N -1.25 1.64 -0.56 5.32 0.00 -1.97 0.09 119.26 122.54 1aof h ALA 117 Ca -0.45 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1aof h ALA 117 Cb 1.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1aof h ALA 117 CO 0.52 0.13 -0.06 0.93 0.00 0.00 0.00 179.25 180.76 1aof h GLU 118 N 0.88 1.01 -0.08 0.00 4.39 -2.00 -2.51 114.58 116.27 1aof h GLU 118 Ca 0.46 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 1aof h GLU 118 Cb 0.54 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1aof h GLU 118 CO -0.23 1.03 -0.55 1.96 -1.16 0.00 0.00 179.01 180.06 1aof h GLN 119 N 0.91 0.24 -0.30 2.33 4.20 -1.45 -1.57 115.11 119.46 1aof h GLN 119 Ca 0.15 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1aof h GLN 119 Cb 0.61 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1aof h GLN 119 CO 0.04 0.73 0.11 0.28 -0.67 0.00 0.00 178.83 179.32 1aof h VAL 120 N 0.18 1.19 -0.69 -0.54 2.07 -0.82 -0.10 116.25 117.55 1aof h VAL 120 Ca 0.00 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1aof h VAL 120 Cb 1.03 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1aof h VAL 120 CO 0.09 0.20 0.34 0.44 0.02 0.00 0.00 177.57 178.66 1aof h ASP 121 N 0.34 0.89 -0.49 0.57 3.32 -1.32 -0.98 116.42 118.74 1aof h ASP 121 Ca 0.10 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1aof h ASP 121 Cb 0.21 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1aof h ASP 121 CO -0.01 0.76 0.24 -0.07 -1.72 0.00 0.00 179.24 178.45 1aof h LEU 122 N 0.96 0.34 -0.44 1.55 3.38 -0.92 -0.85 115.31 119.32 1aof h LEU 122 Ca 0.24 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1aof h LEU 122 Cb 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1aof h LEU 122 CO -0.03 0.24 0.10 0.24 0.09 0.00 0.00 178.44 179.07 1aof h MET 123 N 0.47 0.71 -0.80 1.13 2.86 -0.58 0.80 114.93 119.52 1aof h MET 123 Ca 0.22 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1aof h MET 123 Cb 0.14 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1aof h MET 123 CO -0.16 0.72 0.51 0.00 1.06 0.00 0.00 176.91 179.04 1aof h ALA 124 N 0.96 1.04 -0.13 6.32 0.00 -0.81 -0.42 119.26 126.22 1aof h ALA 124 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1aof h ALA 124 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1aof h ALA 124 CO 0.00 0.33 -0.02 -0.91 0.00 0.00 0.00 179.25 178.66 1aof h ASN 125 N 1.00 0.24 -0.89 0.00 4.21 -0.97 -3.07 115.58 116.11 1aof h ASN 125 Ca 0.32 -0.35 0.13 0.00 1.21 0.00 0.00 56.30 57.61 1aof h ASN 125 Cb -0.00 -0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 37.04 1aof h ASN 125 CO -0.11 0.53 0.51 0.22 -1.29 0.00 0.00 177.43 177.29 1aof h TYR 126 N -0.05 0.91 0.00 1.19 5.03 -0.36 -1.19 116.97 122.50 1aof h TYR 126 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1aof h TYR 126 Cb 0.42 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1aof h TYR 126 CO 0.05 0.29 0.00 -0.07 -1.32 0.00 0.00 178.16 177.11 1aof h LEU 127 N 0.76 0.00 0.00 2.82 3.38 -0.99 -2.03 115.31 119.26 1aof h LEU 127 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1aof h LEU 127 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1aof h LEU 127 CO -0.31 0.00 -0.57 -0.07 0.09 0.00 0.00 178.44 177.58 1aof h LEU 128 N 0.00 0.00-10.50 1.67 3.38 -1.18 -3.40 115.31 105.28 1aof h LEU 128 Ca 0.00 -0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.47 1aof h LEU 128 Cb 0.41 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.22 1aof h LEU 128 CO 0.00 0.02 0.16 -0.76 0.09 0.00 0.00 178.44 177.95 1aof s LEU 129 N -5.34 3.07 0.25 1.67 1.43 -0.76 -4.85 118.68 114.16 1aof s LEU 129 Ca 0.04 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1aof s LEU 129 Cb 0.09 -3.24 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 1aof s LEU 129 CO 0.73 -1.29 1.47 -1.81 0.23 0.00 0.00 176.35 175.67 1aof s ASP 130 N -4.41 6.61 0.43 2.29 1.01 -1.26 -4.66 116.67 116.69 1aof s ASP 130 Ca 0.57 2.70 -0.26 0.00 0.71 0.00 0.00 52.55 56.27 1aof s ASP 130 Cb -0.11 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.11 1aof s ASP 130 CO 0.44 -0.74 1.43 -2.84 0.21 0.00 0.00 175.17 173.67 1aof s PRO 131 N -0.29 3.78 -0.18 8.23 0.02 -1.26 -4.91 135.00 140.39 1aof s PRO 131 Ca 0.61 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.76 1aof s PRO 131 Cb -0.43 -2.72 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 1aof s PRO 131 CO 0.43 -0.74 1.16 0.00 -0.33 0.00 0.00 177.00 177.52 1aof s ALA 132 N -1.19 3.66 -0.53 -1.55 0.00 -1.26 -4.98 121.76 115.91 1aof s ALA 132 Ca 0.59 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 1aof s ALA 132 Cb -0.44 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.13 1aof s ALA 132 CO 0.57 -1.08 1.06 0.00 0.00 0.00 0.00 175.76 176.31 1aof s ALA 133 N 3.26 3.12 0.61 0.00 0.00 -1.26 -4.94 121.76 122.54 1aof s ALA 133 Ca 0.50 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 1aof s ALA 133 Cb -0.19 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1aof s ALA 133 CO 0.12 -2.39 1.21 -2.14 0.00 0.00 0.00 175.76 172.56 1aof s PRO 134 N 4.35 2.89 0.60 0.00 0.02 -1.26 -4.97 135.00 136.63 1aof s PRO 134 Ca 0.39 1.83 -0.17 0.00 0.02 0.00 0.00 61.00 63.08 1aof s PRO 134 Cb -0.09 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 1aof s PRO 134 CO 0.25 -1.27 1.10 -1.25 -0.33 0.00 0.00 177.00 175.50 1aof s PRO 135 N -3.39 3.13 0.92 5.54 0.04 -1.26 -5.05 135.00 134.93 1aof s PRO 135 Ca 0.77 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 1aof s PRO 135 Cb -0.31 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.40 1aof s PRO 135 CO 0.34 -0.99 1.26 -1.21 0.04 0.00 0.00 177.00 176.44 1aof s GLU 136 N -3.82 1.02 -0.37 4.56 0.41 -1.26 -4.78 118.70 114.47 1aof s GLU 136 Ca 0.68 -0.19 0.04 0.00 -0.41 0.00 0.00 54.97 55.09 1aof s GLU 136 Cb -0.20 -1.87 0.16 0.00 -1.78 0.00 0.00 34.13 30.44 1aof s GLU 136 CO 0.35 -2.19 0.46 0.12 -0.49 0.00 0.00 175.26 173.51 1aof s PHE 137 N -3.72 -0.82 0.00 1.61 2.19 -1.26 -5.03 117.98 110.95 1aof s PHE 137 Ca 0.69 -0.36 0.00 0.00 0.33 0.00 0.00 56.93 57.59 1aof s PHE 137 Cb -0.07 -0.16 0.00 0.00 -1.31 0.00 0.00 43.02 41.48 1aof s PHE 137 CO 0.52 -1.04 0.00 0.41 1.83 0.00 0.00 175.22 176.94 1aof n GLY 138 N 4.43 2.43 0.20 13.12 0.00 -1.26 -4.86 105.19 119.25 1aof n GLY 138 Ca 0.10 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 1aof n GLY 138 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1aof h MET 139 N 0.00 0.13 -0.22 1.61 4.05 -2.00 -0.91 114.93 117.59 1aof h MET 139 Ca 0.00 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1aof h MET 139 Cb 0.00 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 1aof h MET 139 CO 0.00 0.09 -0.05 -0.22 0.23 0.00 0.00 176.91 176.95 1aof h LYS 140 N 0.14 0.00 -0.62 0.39 3.64 -1.99 0.16 116.57 118.28 1aof h LYS 140 Ca 0.26 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1aof h LYS 140 Cb 0.39 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1aof h LYS 140 CO -0.42 0.00 0.29 0.93 -2.27 0.00 0.00 179.45 177.98 1aof h GLU 141 N 0.00 0.90 -0.36 1.90 3.07 -1.79 -2.13 114.58 116.17 1aof h GLU 141 Ca 0.10 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1aof h GLU 141 Cb 0.16 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1aof h GLU 141 CO -0.22 0.73 0.08 0.52 -1.40 0.00 0.00 179.01 178.72 1aof h MET 142 N 0.85 0.58 -0.14 2.33 2.86 -0.84 -2.90 114.93 117.67 1aof h MET 142 Ca 0.21 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1aof h MET 142 Cb 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1aof h MET 142 CO -0.02 0.63 -0.10 0.00 1.06 0.00 0.00 176.91 178.47 1aof h ARG 143 N 0.43 0.21 -0.02 1.72 3.08 -0.79 -1.08 114.38 117.93 1aof h ARG 143 Ca 0.11 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1aof h ARG 143 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1aof h ARG 143 CO 0.00 0.33 -0.40 0.93 -1.07 0.00 0.00 179.97 179.76 1aof h GLU 144 N 0.21 0.04 0.00 0.04 5.08 -1.21 -2.75 114.58 115.99 1aof h GLU 144 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1aof h GLU 144 Cb 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1aof h GLU 144 CO 0.02 0.44 -0.67 -1.13 -1.00 0.00 0.00 179.01 176.67 1aof n SER 145 N -4.06 0.60 -4.66 1.42 3.41 -0.73 -4.90 113.62 104.70 1aof n SER 145 Ca -0.02 -0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 1aof n SER 145 Cb 0.44 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 1aof n SER 145 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1aof s TRP 146 N -3.08 2.30 -0.09 7.33 -0.00 -0.49 -4.37 118.94 120.55 1aof s TRP 146 Ca 0.08 0.47 -0.01 0.00 -0.00 0.00 0.00 56.10 56.65 1aof s TRP 146 Cb 0.16 -3.78 0.03 0.00 -0.00 0.00 0.00 33.47 29.87 1aof s TRP 146 CO 0.74 -3.15 -0.04 0.15 -0.00 0.00 0.00 176.95 174.64 1aof s LYS 147 N 3.71 1.11 -0.48 5.86 1.02 -0.36 -5.01 119.74 125.58 1aof s LYS 147 Ca 0.67 -0.10 -0.14 0.00 0.02 0.00 0.00 55.97 56.42 1aof s LYS 147 Cb -0.30 -1.27 0.10 0.00 -0.52 0.00 0.00 37.83 35.84 1aof s LYS 147 CO 0.25 -0.25 0.40 0.08 -0.92 0.00 0.00 175.35 174.91 1aof s VAL 148 N 1.70 4.96 0.08 3.17 1.01 -1.26 -0.99 120.40 129.06 1aof s VAL 148 Ca 0.03 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 1aof s VAL 148 Cb -0.13 -4.06 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 1aof s VAL 148 CO -0.06 -0.67 1.31 0.45 0.00 0.00 0.00 175.10 176.13 1aof h HIS 149 N 8.71 0.84 -3.35 5.22 -0.00 -0.91 -3.42 115.15 122.23 1aof h HIS 149 Ca -0.27 -0.33 -0.56 0.00 -0.00 0.00 0.00 60.37 59.20 1aof h HIS 149 Cb 1.10 -0.15 -0.38 0.00 -0.00 0.00 0.00 27.41 27.99 1aof h HIS 149 CO 0.66 1.11 -0.79 0.08 -0.00 0.00 0.00 177.93 178.99 1aof s VAL 150 N -3.92 1.20 0.46 2.45 1.01 -0.69 -5.02 120.40 115.88 1aof s VAL 150 Ca -0.12 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 1aof s VAL 150 Cb 0.07 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 35.01 1aof s VAL 150 CO 0.85 0.12 1.28 0.00 0.00 0.00 0.00 175.10 177.35 1aof s ALA 151 N 1.59 3.06 0.45 5.51 0.00 -1.26 -4.83 121.76 126.28 1aof s ALA 151 Ca 0.00 1.17 0.26 0.00 0.00 0.00 0.00 51.96 53.39 1aof s ALA 151 Cb -0.16 -3.48 1.29 0.00 0.00 0.00 0.00 23.12 20.77 1aof s ALA 151 CO -0.08 -0.92 1.76 -1.35 0.00 0.00 0.00 175.76 175.17 1aof h PRO 152 N 2.17 0.22 -0.21 0.00 0.11 -1.96 0.21 132.00 132.54 1aof h PRO 152 Ca -0.50 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1aof h PRO 152 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1aof h PRO 152 CO 0.60 0.15 -0.22 0.93 -0.21 0.00 0.00 178.00 179.25 1aof h GLU 153 N 0.23 0.37 -0.21 1.05 3.07 -2.00 -2.85 114.58 114.24 1aof h GLU 153 Ca 0.62 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1aof h GLU 153 Cb 1.89 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.77 1aof h GLU 153 CO -0.22 0.58 0.00 -0.25 -1.40 0.00 0.00 179.01 177.72 1aof n ASP 154 N -4.16 1.82 -4.91 1.42 8.00 0.71 -4.92 116.55 114.51 1aof n ASP 154 Ca -0.00 -1.77 -0.27 0.00 0.71 0.00 0.00 54.79 53.46 1aof n ASP 154 Cb 0.37 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1aof n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1aof s ARG 155 N -1.73 3.56 0.65 -1.24 0.52 -1.08 -4.92 118.95 114.71 1aof s ARG 155 Ca 0.32 0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.43 1aof s ARG 155 Cb 0.17 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 1aof s ARG 155 CO 0.25 -0.05 1.09 -2.30 0.02 0.00 0.00 175.30 174.31 1aof n PRO 156 N -1.89 0.87 0.00 3.54 -0.02 -1.26 -4.93 135.00 131.31 1aof n PRO 156 Ca -0.01 0.35 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1aof n PRO 156 Cb 0.55 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1aof n PRO 156 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1aof n THR 157 N -2.02 0.03 -3.74 3.45 -2.24 -1.26 -4.95 114.28 103.55 1aof n THR 157 Ca 0.15 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 1aof n THR 157 Cb 0.48 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 1aof n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aof s GLN 158 N -3.04 1.40 0.16 -0.78 -2.07 -1.26 -5.12 119.66 108.95 1aof s GLN 158 Ca 0.08 -0.87 -0.32 0.00 -1.82 0.00 0.00 55.36 52.44 1aof s GLN 158 Cb 0.16 0.53 -0.11 0.00 -1.09 0.00 0.00 33.01 32.50 1aof s GLN 158 CO 0.79 -0.60 1.80 0.94 -1.32 0.00 0.00 175.29 176.90 1aof n GLN 159 N -0.35 2.80 0.00 9.60 7.27 -1.26 -4.85 117.38 130.59 1aof n GLN 159 Ca -0.10 1.02 0.08 0.00 0.07 0.00 0.00 57.00 58.07 1aof n GLN 159 Cb 0.62 -2.89 -0.08 0.00 2.41 0.00 0.00 30.24 30.30 1aof n GLN 159 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1aof n MET 160 N 5.02 1.48 -3.42 3.69 2.81 0.12 -4.95 117.12 121.87 1aof n MET 160 Ca 0.17 -0.14 -0.19 0.00 -1.81 0.00 0.00 57.70 55.73 1aof n MET 160 Cb 0.36 -1.30 -0.02 0.00 -0.71 0.00 0.00 33.22 31.56 1aof n MET 160 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1aof s ASN 161 N -2.49 5.36 -0.13 7.83 2.20 -1.25 -4.58 114.94 121.88 1aof s ASN 161 Ca 0.08 -0.56 0.17 0.00 -0.94 0.00 0.00 52.86 51.61 1aof s ASN 161 Cb 0.13 -0.72 0.66 0.00 -2.00 0.00 0.00 41.25 39.32 1aof s ASN 161 CO 0.65 -0.62 1.57 -0.90 -2.94 0.00 0.00 177.10 174.86 1aof n ASP 162 N -1.62 4.57 -4.75 3.54 5.75 -1.26 -5.01 116.55 117.77 1aof n ASP 162 Ca 0.04 -2.57 -0.32 0.00 -0.01 0.00 0.00 54.79 51.93 1aof n ASP 162 Cb 0.60 -0.55 0.09 0.00 -1.03 0.00 0.00 41.12 40.23 1aof n ASP 162 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1aof s TRP 163 N -2.06 2.38 -0.98 2.11 0.52 -1.26 -4.95 118.94 114.70 1aof s TRP 163 Ca 0.47 1.60 -0.14 0.00 0.02 0.00 0.00 56.10 58.05 1aof s TRP 163 Cb 0.32 -3.19 0.20 0.00 -1.15 0.00 0.00 33.47 29.65 1aof s TRP 163 CO 0.20 -2.02 1.04 0.34 0.02 0.00 0.00 176.95 176.53 1aof s ASP 164 N -2.82 6.90 0.28 2.95 -1.08 -1.26 -4.90 116.67 116.74 1aof s ASP 164 Ca 0.66 -2.78 0.01 0.00 -0.52 0.00 0.00 52.55 49.92 1aof s ASP 164 Cb -0.21 -2.29 0.57 0.00 -1.46 0.00 0.00 42.92 39.53 1aof s ASP 164 CO 0.50 -0.66 1.81 -0.07 0.52 0.00 0.00 175.17 177.26 1aof h LEU 165 N 8.51 0.80 -1.97 -1.34 3.38 -1.97 -2.17 115.31 120.54 1aof h LEU 165 Ca 0.17 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1aof h LEU 165 Cb 0.97 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1aof h LEU 165 CO 0.98 0.38 -0.04 -0.33 0.09 0.00 0.00 178.44 179.53 1aof h GLU 166 N 0.86 0.00 -0.51 1.13 5.08 -1.93 -2.25 114.58 116.96 1aof h GLU 166 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1aof h GLU 166 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1aof h GLU 166 CO -0.31 0.04 0.00 -1.71 -1.00 0.00 0.00 179.01 176.03 1aof n ASN 167 N -3.21 3.42 -4.79 1.42 5.15 -0.83 -1.75 115.26 114.68 1aof n ASN 167 Ca -0.01 -1.97 -0.35 0.00 -0.60 0.00 0.00 54.58 51.65 1aof n ASN 167 Cb 0.23 -0.34 -0.05 0.00 -0.53 0.00 0.00 39.78 39.10 1aof n ASN 167 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1aof s LEU 168 N -1.07 4.05 -0.10 1.20 2.96 -0.85 -1.64 118.68 123.23 1aof s LEU 168 Ca 0.37 1.94 0.02 0.00 -0.22 0.00 0.00 54.13 56.23 1aof s LEU 168 Cb 0.20 -4.32 -0.01 0.00 0.50 0.00 0.00 46.19 42.56 1aof s LEU 168 CO 0.26 -0.50 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.25 1aof s PHE 169 N -1.82 2.69 -0.31 5.38 0.40 -0.05 -0.96 117.98 123.32 1aof s PHE 169 Ca 0.60 -0.71 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 1aof s PHE 169 Cb -0.18 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 1aof s PHE 169 CO 0.23 -0.23 0.15 0.45 0.70 0.00 0.00 175.22 176.52 1aof s SER 170 N 0.17 5.55 -0.12 1.36 0.15 0.20 -0.99 113.70 120.01 1aof s SER 170 Ca -0.10 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 1aof s SER 170 Cb -0.16 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 1aof s SER 170 CO 0.06 -0.19 -0.10 -0.69 1.20 0.00 0.00 173.24 173.52 1aof s VAL 171 N 1.62 3.33 -0.13 4.45 1.01 0.21 -0.71 120.40 130.17 1aof s VAL 171 Ca 0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1aof s VAL 171 Cb -0.17 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1aof s VAL 171 CO 0.06 0.53 1.14 -0.89 0.00 0.00 0.00 175.10 175.94 1aof s THR 172 N 0.15 4.47 -0.94 3.92 2.01 0.31 -0.79 115.64 124.77 1aof s THR 172 Ca -0.05 1.77 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 1aof s THR 172 Cb -0.15 -4.14 0.27 0.00 0.01 0.00 0.00 72.50 68.50 1aof s THR 172 CO 0.04 -0.08 1.11 0.18 -0.69 0.00 0.00 174.62 175.19 1aof n LEU 173 N 5.78 5.20 0.00 4.42 4.77 -0.37 -1.43 117.00 135.36 1aof n LEU 173 Ca 0.11 -5.24 0.00 0.00 -0.03 0.00 0.00 56.01 50.86 1aof n LEU 173 Cb 0.46 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1aof n LEU 173 CO 0.54 1.72 0.14 -1.14 -1.33 0.00 0.00 177.39 177.32 1aof n ARG 174 N 1.55 0.00 0.32 3.23 0.63 -0.96 -1.79 116.66 119.64 1aof n ARG 174 Ca 0.26 0.28 0.21 0.00 -0.92 0.00 0.00 57.85 57.68 1aof n ARG 174 Cb 0.36 -0.52 1.04 0.00 0.45 0.00 0.00 32.46 33.80 1aof n ARG 174 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1aof h ASP 175 N 0.00 0.00 0.63 6.15 3.32 -1.81 -2.65 116.42 122.06 1aof h ASP 175 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aof h ASP 175 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1aof h ASP 175 CO 0.00 0.00 -0.30 0.00 -1.72 0.00 0.00 179.24 177.22 1aof n ALA 176 N -2.08 3.09 -3.38 3.45 0.00 -0.74 -4.88 120.51 115.97 1aof n ALA 176 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 53.44 52.96 1aof n ALA 176 Cb 0.15 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.42 1aof n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aof n GLY 177 N 1.48 -0.27 3.25 0.00 0.00 -1.00 -4.88 105.19 103.76 1aof n GLY 177 Ca 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1aof n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aof s GLN 178 N -5.98 1.22 0.04 1.61 -0.21 -1.20 -1.12 119.66 114.03 1aof s GLN 178 Ca 0.43 -1.55 0.03 0.00 0.02 0.00 0.00 55.36 54.29 1aof s GLN 178 Cb -0.19 0.30 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 1aof s GLN 178 CO 0.60 -0.41 -0.09 0.96 -2.12 0.00 0.00 175.29 174.23 1aof s ILE 179 N -4.13 0.66 -0.06 1.08 -4.36 -0.56 -1.24 121.20 112.58 1aof s ILE 179 Ca 0.35 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.82 1aof s ILE 179 Cb 0.06 -0.67 -0.02 0.00 1.25 0.00 0.00 42.46 43.08 1aof s ILE 179 CO 0.10 -0.23 -0.16 0.00 0.24 0.00 0.00 174.94 174.89 1aof s ALA 180 N -1.09 2.56 -0.31 2.27 0.00 0.03 -0.86 121.76 124.35 1aof s ALA 180 Ca -0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1aof s ALA 180 Cb -0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1aof s ALA 180 CO 0.01 0.48 0.18 -0.51 0.00 0.00 0.00 175.76 175.91 1aof s LEU 181 N -0.45 4.20 -0.05 0.00 1.43 0.20 -0.62 118.68 123.39 1aof s LEU 181 Ca 0.05 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1aof s LEU 181 Cb -0.12 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1aof s LEU 181 CO 0.02 -0.19 -0.20 -0.63 0.23 0.00 0.00 176.35 175.58 1aof s ILE 182 N 1.66 2.52 0.07 -0.59 1.01 -0.17 0.04 121.20 125.74 1aof s ILE 182 Ca 0.05 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.48 1aof s ILE 182 Cb -0.17 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 1aof s ILE 182 CO 0.08 0.58 1.39 -0.62 0.00 0.00 0.00 174.94 176.37 1aof s ASP 183 N -0.52 6.85 0.43 3.58 -1.08 0.08 -0.87 116.67 125.14 1aof s ASP 183 Ca 0.07 2.23 0.29 0.00 -0.52 0.00 0.00 52.55 54.62 1aof s ASP 183 Cb -0.11 -2.58 1.12 0.00 -1.46 0.00 0.00 42.92 39.90 1aof s ASP 183 CO 0.01 -0.67 1.85 1.23 0.52 0.00 0.00 175.17 178.11 1aof h GLY 184 N 7.43 0.00 0.00 2.66 0.00 -1.65 -1.22 103.07 110.29 1aof h GLY 184 Ca -0.41 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.68 1aof h GLY 184 CO 0.88 0.00 -1.92 -1.14 0.00 0.00 0.00 176.54 174.36 1aof n SER 185 N -2.76 2.05 -0.00 0.19 3.41 -1.26 -4.68 113.62 110.56 1aof n SER 185 Ca 0.02 -0.03 0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1aof n SER 185 Cb 0.31 0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 64.63 1aof n SER 185 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aof n THR 186 N -2.65 0.00 -1.28 6.66 -2.24 -1.25 -4.99 114.28 108.54 1aof n THR 186 Ca -0.24 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 1aof n THR 186 Cb 0.89 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1aof n THR 186 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1aof n TYR 187 N -1.68 0.00 -2.70 4.78 4.01 -0.46 -4.98 117.16 116.14 1aof n TYR 187 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1aof n TYR 187 Cb 0.34 -2.01 -0.03 0.00 -0.31 0.00 0.00 39.34 37.33 1aof n TYR 187 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1aof s GLU 188 N -2.65 4.57 -0.60 -0.72 2.12 -1.26 -4.73 118.70 115.44 1aof s GLU 188 Ca 0.00 1.44 -0.27 0.00 0.36 0.00 0.00 54.97 56.50 1aof s GLU 188 Cb 0.00 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1aof s GLU 188 CO 0.00 -0.03 1.50 0.42 -0.54 0.00 0.00 175.26 176.62 1aof s ILE 189 N 0.88 3.66 0.28 -3.70 1.01 -1.26 -0.74 121.20 121.33 1aof s ILE 189 Ca 0.52 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.69 1aof s ILE 189 Cb -0.22 -4.39 0.07 0.00 0.01 0.00 0.00 42.46 37.93 1aof s ILE 189 CO 0.28 -1.22 1.72 0.11 0.00 0.00 0.00 174.94 175.83 1aof h LYS 190 N 11.82 0.50 -1.33 2.79 1.79 -0.75 -3.47 116.57 127.91 1aof h LYS 190 Ca -0.27 -0.18 0.18 0.00 -2.18 0.00 0.00 60.65 58.20 1aof h LYS 190 Cb 1.10 -0.03 -0.24 0.00 -1.58 0.00 0.00 32.23 31.48 1aof h LYS 190 CO 1.20 0.70 0.77 -0.08 -1.08 0.00 0.00 179.45 180.97 1aof s THR 191 N -4.53 0.00 -0.19 -0.16 -1.32 -1.13 -4.99 115.64 103.33 1aof s THR 191 Ca -0.07 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 1aof s THR 191 Cb 0.14 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 1aof s THR 191 CO 0.79 0.00 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.36 1aof s VAL 192 N -1.33 1.85 -0.10 5.08 1.01 -1.26 -0.63 120.40 125.02 1aof s VAL 192 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1aof s VAL 192 Cb -0.01 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1aof s VAL 192 CO -0.04 0.37 -0.01 -0.76 0.00 0.00 0.00 175.10 174.66 1aof s LEU 193 N 1.34 3.48 -0.09 3.92 1.43 -0.04 -4.96 118.68 123.76 1aof s LEU 193 Ca 0.02 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 1aof s LEU 193 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1aof s LEU 193 CO -0.10 0.33 0.53 -1.81 0.23 0.00 0.00 176.35 175.52 1aof s ASP 194 N -0.59 6.77 -0.01 2.29 1.11 -1.26 -1.50 116.67 123.48 1aof s ASP 194 Ca 0.10 0.92 0.11 0.00 0.18 0.00 0.00 52.55 53.85 1aof s ASP 194 Cb -0.12 -2.32 -0.15 0.00 1.07 0.00 0.00 42.92 41.41 1aof s ASP 194 CO 0.02 -0.00 0.30 0.35 1.18 0.00 0.00 175.17 177.02 1aof n THR 195 N 3.54 0.00 0.00 -1.27 -2.24 -0.27 -5.00 114.28 109.04 1aof n THR 195 Ca -0.06 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1aof n THR 195 Cb 0.52 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1aof n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aof n GLY 196 N 1.67 2.90 3.34 3.38 0.00 -1.14 -5.01 105.19 110.34 1aof n GLY 196 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1aof n GLY 196 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aof s TYR 197 N -2.84 -0.29 -0.01 1.61 6.14 -1.26 -4.93 117.35 115.77 1aof s TYR 197 Ca 0.00 0.15 -0.36 0.00 0.64 0.00 0.00 57.07 57.49 1aof s TYR 197 Cb 0.00 0.28 -0.15 0.00 0.42 0.00 0.00 41.96 42.51 1aof s TYR 197 CO 0.00 -0.65 1.60 0.00 0.64 0.00 0.00 175.55 177.14 1aof n ALA 198 N 0.14 0.21 -2.48 3.97 0.00 -1.26 -4.52 120.51 116.58 1aof n ALA 198 Ca -0.17 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 1aof n ALA 198 Cb 0.62 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.80 1aof n ALA 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1aof s VAL 199 N 2.01 4.61 -0.20 0.00 -7.23 -1.26 -0.88 120.40 117.44 1aof s VAL 199 Ca 0.88 -0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 60.55 1aof s VAL 199 Cb -0.85 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 32.30 1aof s VAL 199 CO 0.49 -0.49 -0.25 1.57 -0.31 0.00 0.00 175.10 176.11 1aof n HIS 200 N -1.96 0.00 -3.96 2.82 -0.00 0.36 -4.74 115.22 107.75 1aof n HIS 200 Ca -0.02 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.07 1aof n HIS 200 Cb 0.57 -0.73 -0.07 0.00 -0.12 0.00 0.00 29.99 29.63 1aof n HIS 200 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1aof s ILE 201 N -2.37 0.07 0.01 3.57 -4.36 -1.25 -4.77 121.20 112.10 1aof s ILE 201 Ca -0.28 -1.38 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1aof s ILE 201 Cb 0.10 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 1aof s ILE 201 CO 0.37 -0.34 -0.21 -0.44 0.24 0.00 0.00 174.94 174.56 1aof s SER 202 N -2.96 3.50 0.03 4.36 0.01 -1.26 -2.42 113.70 114.96 1aof s SER 202 Ca 0.16 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1aof s SER 202 Cb 0.04 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 1aof s SER 202 CO -0.01 0.29 -0.05 -0.13 0.41 0.00 0.00 173.24 173.75 1aof s ARG 203 N -1.07 0.43 0.07 12.44 1.81 0.10 -4.95 118.95 127.78 1aof s ARG 203 Ca 0.12 -0.73 0.07 0.00 -1.72 0.00 0.00 55.73 53.48 1aof s ARG 203 Cb -0.10 -0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.30 1aof s ARG 203 CO 0.02 -0.01 -0.14 -0.51 -0.68 0.00 0.00 175.30 173.98 1aof s LEU 204 N -1.64 2.83 0.76 2.53 2.01 -1.26 -0.36 118.68 123.55 1aof s LEU 204 Ca -0.11 -0.40 -0.11 0.00 0.01 0.00 0.00 54.13 53.52 1aof s LEU 204 Cb -0.09 -1.66 0.05 0.00 0.01 0.00 0.00 46.19 44.51 1aof s LEU 204 CO -0.01 0.22 1.09 -0.94 1.01 0.00 0.00 176.35 177.72 1aof s SER 205 N -1.80 4.58 0.62 2.29 1.04 -0.08 -4.67 113.70 115.69 1aof s SER 205 Ca 0.18 1.82 0.34 0.00 0.48 0.00 0.00 55.95 58.77 1aof s SER 205 Cb -0.11 -2.52 1.96 0.00 0.10 0.00 0.00 66.02 65.45 1aof s SER 205 CO 0.09 -1.99 2.21 0.00 0.98 0.00 0.00 173.24 174.54 1aof h ALA 206 N -1.04 1.41 0.00 5.32 0.00 -1.86 -0.41 119.26 122.68 1aof h ALA 206 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1aof h ALA 206 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1aof h ALA 206 CO 0.52 -0.12 -0.58 0.66 0.00 0.00 0.00 179.25 179.73 1aof h SER 207 N 0.00 0.00 0.00 0.00 4.64 -1.93 -3.48 113.55 112.78 1aof h SER 207 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1aof h SER 207 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1aof h SER 207 CO -0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1aof n GLY 208 N 1.24 0.77 0.14 -0.77 0.00 -0.16 -4.94 105.19 101.46 1aof n GLY 208 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1aof n GLY 208 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aof h ARG 209 N 2.94 0.45 -5.50 1.61 2.43 -1.92 -3.46 114.38 110.94 1aof h ARG 209 Ca 0.00 -0.78 -0.64 0.00 -0.81 0.00 0.00 59.98 57.75 1aof h ARG 209 Cb 0.00 0.29 -0.17 0.00 -0.42 0.00 0.00 29.97 29.67 1aof h ARG 209 CO 0.00 1.37 -0.61 0.71 -1.51 0.00 0.00 179.97 179.94 1aof s TYR 210 N -2.56 3.17 -0.21 2.20 2.02 -1.26 -1.41 117.35 119.31 1aof s TYR 210 Ca -0.12 0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.54 1aof s TYR 210 Cb 0.04 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1aof s TYR 210 CO 0.90 0.21 0.03 -1.17 -1.57 0.00 0.00 175.55 173.94 1aof s LEU 211 N -0.05 3.40 -0.12 -1.29 2.96 -0.49 -0.90 118.68 122.20 1aof s LEU 211 Ca 0.04 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1aof s LEU 211 Cb -0.13 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1aof s LEU 211 CO 0.02 0.07 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.65 1aof s PHE 212 N 0.99 2.86 -0.03 5.38 0.40 0.51 -0.26 117.98 127.82 1aof s PHE 212 Ca 0.02 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1aof s PHE 212 Cb -0.14 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1aof s PHE 212 CO 0.02 -0.06 -0.19 0.14 0.70 0.00 0.00 175.22 175.83 1aof s VAL 213 N 0.09 1.55 -0.17 -0.44 -7.23 -0.53 -0.72 120.40 112.95 1aof s VAL 213 Ca -0.04 -0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 1aof s VAL 213 Cb -0.14 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 1aof s VAL 213 CO 0.04 0.44 -0.07 -0.51 -0.31 0.00 0.00 175.10 174.69 1aof s ILE 214 N -0.17 3.38 0.34 -0.62 1.10 -1.02 -1.86 121.20 122.35 1aof s ILE 214 Ca 0.00 -0.52 -0.11 0.00 -0.51 0.00 0.00 60.65 59.51 1aof s ILE 214 Cb -0.10 -2.48 -0.07 0.00 0.15 0.00 0.00 42.46 39.95 1aof s ILE 214 CO 0.01 0.48 0.70 -0.83 -2.11 0.00 0.00 174.94 173.19 1aof s GLY 215 N 0.82 2.09 0.62 1.50 0.00 0.89 -0.49 107.32 112.75 1aof s GLY 215 Ca -0.02 -0.19 0.35 0.00 0.00 0.00 0.00 44.72 44.86 1aof s GLY 215 CO 0.01 -0.01 2.26 3.21 0.00 0.00 0.00 173.10 178.57 1aof h ARG 216 N 1.78 0.00 -0.14 2.90 3.08 -1.13 0.14 114.38 121.00 1aof h ARG 216 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1aof h ARG 216 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1aof h ARG 216 CO 0.65 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.15 1aof n ASP 217 N -3.52 0.91 0.00 7.04 5.75 -1.26 -1.54 116.55 123.92 1aof n ASP 217 Ca -0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1aof n ASP 217 Cb 0.13 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1aof n ASP 217 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aof n GLY 218 N 0.84 0.64 3.72 6.12 0.00 0.04 -4.34 105.19 112.21 1aof n GLY 218 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1aof n GLY 218 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aof s LYS 219 N -0.18 4.42 -0.16 1.61 2.47 -1.25 -0.67 119.74 125.99 1aof s LYS 219 Ca 0.00 0.83 -0.02 0.00 -1.56 0.00 0.00 55.97 55.22 1aof s LYS 219 Cb 0.00 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.92 1aof s LYS 219 CO 0.00 0.10 -0.08 0.08 0.16 0.00 0.00 175.35 175.61 1aof s VAL 220 N 0.69 3.42 -0.09 4.02 1.01 0.13 -0.08 120.40 129.50 1aof s VAL 220 Ca 0.36 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1aof s VAL 220 Cb -0.18 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1aof s VAL 220 CO 0.17 0.49 -0.20 0.20 0.00 0.00 0.00 175.10 175.77 1aof s ASN 221 N 0.60 3.50 -0.18 3.32 0.01 -0.78 -1.67 114.94 119.75 1aof s ASN 221 Ca -0.05 -0.42 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 1aof s ASN 221 Cb -0.15 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.31 1aof s ASN 221 CO 0.03 0.22 -0.07 -0.32 -1.51 0.00 0.00 177.10 175.45 1aof s MET 222 N 0.01 3.43 -0.14 -0.60 -2.45 -0.46 -1.45 119.30 117.63 1aof s MET 222 Ca -0.07 -0.63 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 1aof s MET 222 Cb -0.15 -2.88 -0.01 0.00 1.25 0.00 0.00 34.83 33.04 1aof s MET 222 CO 0.05 -0.00 -0.14 0.42 1.05 0.00 0.00 175.02 176.39 1aof s ILE 223 N 0.96 2.88 -0.46 10.11 1.01 0.64 -0.65 121.20 135.69 1aof s ILE 223 Ca -0.01 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1aof s ILE 223 Cb -0.15 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1aof s ILE 223 CO 0.00 0.52 0.81 -0.62 0.00 0.00 0.00 174.94 175.65 1aof s ASP 224 N 0.52 6.41 0.00 3.58 -1.08 -1.06 -1.40 116.67 123.65 1aof s ASP 224 Ca -0.09 -0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.04 1aof s ASP 224 Cb -0.16 -2.39 1.21 0.00 -1.46 0.00 0.00 42.92 40.12 1aof s ASP 224 CO 0.04 -0.95 1.79 0.18 0.52 0.00 0.00 175.17 176.74 1aof n LEU 225 N 6.81 0.00 0.05 -1.34 4.77 -0.50 -3.35 117.00 123.44 1aof n LEU 225 Ca 0.02 0.28 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1aof n LEU 225 Cb 0.48 -0.28 0.19 0.00 -2.33 0.00 0.00 43.42 41.48 1aof n LEU 225 CO 0.60 -0.06 0.37 0.79 -1.33 0.00 0.00 177.39 177.75 1aof n TRP 226 N -1.28 0.47 -1.70 -1.77 7.02 -1.26 -4.85 117.44 114.07 1aof n TRP 226 Ca 0.11 0.14 -0.33 0.00 -1.02 0.00 0.00 57.50 56.40 1aof n TRP 226 Cb 0.19 -0.60 0.05 0.00 -2.42 0.00 0.00 31.31 28.53 1aof n TRP 226 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1aof s MET 227 N -3.14 2.74 0.18 -0.99 -1.94 -1.21 0.15 119.30 115.08 1aof s MET 227 Ca 0.07 1.37 -0.15 0.00 -1.71 0.00 0.00 55.69 55.26 1aof s MET 227 Cb 0.14 -1.94 0.15 0.00 2.01 0.00 0.00 34.83 35.19 1aof s MET 227 CO 0.72 -1.30 1.66 -0.22 -0.01 0.00 0.00 175.02 175.87 1aof h LYS 228 N -0.10 0.03 -4.00 2.03 1.63 -1.92 -3.27 116.57 110.97 1aof h LYS 228 Ca -0.46 -0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.70 1aof h LYS 228 Cb 1.25 -0.01 -0.40 0.00 -0.60 0.00 0.00 32.23 32.47 1aof h LYS 228 CO 0.54 0.02 -0.72 -1.21 -3.45 0.00 0.00 179.45 174.63 1aof s GLU 229 N -6.21 1.34 0.11 1.90 2.02 -1.26 -4.65 118.70 111.96 1aof s GLU 229 Ca -0.14 -1.81 -0.35 0.00 0.02 0.00 0.00 54.97 52.69 1aof s GLU 229 Cb 0.16 -2.82 -0.17 0.00 0.10 0.00 0.00 34.13 31.41 1aof s GLU 229 CO 0.72 -1.00 1.23 -2.30 0.02 0.00 0.00 175.26 173.92 1aof n PRO 230 N 4.14 1.01 -3.89 0.39 -0.02 -1.23 -4.98 135.00 130.42 1aof n PRO 230 Ca 0.03 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.79 1aof n PRO 230 Cb 0.40 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1aof n PRO 230 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1aof s THR 231 N 0.15 0.01 -0.04 3.45 -1.32 -1.26 -4.99 115.64 111.65 1aof s THR 231 Ca 0.80 -1.13 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 1aof s THR 231 Cb -0.95 -1.95 -0.06 0.00 -1.51 0.00 0.00 72.50 68.04 1aof s THR 231 CO 0.50 -0.05 1.66 -0.89 -2.21 0.00 0.00 174.62 173.63 1aof s THR 232 N -3.95 3.52 -0.93 5.08 2.01 -1.26 -2.55 115.64 117.56 1aof s THR 232 Ca 0.16 0.67 0.21 0.00 0.31 0.00 0.00 61.69 63.03 1aof s THR 232 Cb -0.02 -3.43 -0.23 0.00 0.01 0.00 0.00 72.50 68.83 1aof s THR 232 CO 0.04 -0.05 0.86 1.33 -0.69 0.00 0.00 174.62 176.11 1aof n VAL 233 N 5.40 0.00 -3.55 3.82 0.24 0.18 -4.71 118.33 119.71 1aof n VAL 233 Ca 0.17 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.30 1aof n VAL 233 Cb 0.43 0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1aof n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aof s ALA 234 N -2.99 -1.86 0.05 2.33 0.00 -1.22 -0.24 121.76 117.82 1aof s ALA 234 Ca 0.07 1.47 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 1aof s ALA 234 Cb 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1aof s ALA 234 CO 0.86 -0.34 0.21 -1.83 0.00 0.00 0.00 175.76 174.65 1aof s GLU 235 N -1.17 0.74 -0.05 0.00 -1.05 -0.16 -1.36 118.70 115.65 1aof s GLU 235 Ca -0.05 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 1aof s GLU 235 Cb -0.00 0.31 0.09 0.00 -0.44 0.00 0.00 34.13 34.08 1aof s GLU 235 CO 0.05 -0.22 0.78 -1.50 0.95 0.00 0.00 175.26 175.32 1aof s ILE 236 N -2.84 0.00 -0.11 1.83 2.07 -0.67 -1.23 121.20 120.25 1aof s ILE 236 Ca -0.03 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1aof s ILE 236 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1aof s ILE 236 CO -0.05 0.00 0.00 -0.75 -1.91 0.00 0.00 174.94 172.23 1aof s LYS 237 N -1.62 3.21 0.00 3.50 2.20 -1.26 0.21 119.74 125.98 1aof s LYS 237 Ca -0.06 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1aof s LYS 237 Cb -0.00 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1aof s LYS 237 CO 0.03 0.58 0.63 0.44 -0.36 0.00 0.00 175.35 176.67 1aof n ILE 238 N 2.53 0.31 -3.40 5.43 -6.64 0.15 -4.57 119.36 113.18 1aof n ILE 238 Ca -0.18 -0.61 0.00 0.00 -1.77 0.00 0.00 62.75 60.19 1aof n ILE 238 Cb 0.53 0.91 0.00 0.00 -1.44 0.00 0.00 39.64 39.64 1aof n ILE 238 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1aof n GLY 239 N -0.16 -1.11 0.11 3.28 0.00 -1.26 -4.83 105.19 101.23 1aof n GLY 239 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1aof n GLY 239 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aof n SER 240 N 0.91 1.03 -3.77 1.61 7.64 0.37 -4.32 113.62 117.09 1aof n SER 240 Ca 0.00 0.01 -0.17 0.00 1.01 0.00 0.00 58.87 59.72 1aof n SER 240 Cb 0.00 0.19 -0.17 0.00 -1.01 0.00 0.00 64.21 63.22 1aof n SER 240 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1aof s GLU 241 N -2.52 0.12 0.03 1.43 0.41 -0.93 -4.25 118.70 113.00 1aof s GLU 241 Ca -0.20 0.18 -0.12 0.00 -0.41 0.00 0.00 54.97 54.42 1aof s GLU 241 Cb 0.07 -0.44 0.01 0.00 -1.78 0.00 0.00 34.13 32.00 1aof s GLU 241 CO 0.74 -0.20 0.27 0.00 -0.49 0.00 0.00 175.26 175.58 1aof s ALA 242 N 1.34 -0.59 0.00 5.21 0.00 -0.59 0.06 121.76 127.20 1aof s ALA 242 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1aof s ALA 242 Cb -0.13 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1aof s ALA 242 CO -0.03 -0.37 0.00 0.54 0.00 0.00 0.00 175.76 175.91 1aof n ARG 243 N 0.74 1.35 -4.13 0.00 5.12 -1.24 -3.93 116.66 114.56 1aof n ARG 243 Ca -0.19 -0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.58 1aof n ARG 243 Cb 0.59 -0.12 -0.11 0.00 -1.16 0.00 0.00 32.46 31.65 1aof n ARG 243 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1aof s SER 244 N -0.19 1.22 -0.04 0.55 1.04 -1.25 -4.60 113.70 110.43 1aof s SER 244 Ca 0.00 -0.71 -0.30 0.00 0.48 0.00 0.00 55.95 55.42 1aof s SER 244 Cb 0.00 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.21 1aof s SER 244 CO 0.00 -0.24 0.65 -0.51 0.98 0.00 0.00 173.24 174.12 1aof s ILE 245 N -2.02 0.00 0.14 -1.02 2.07 -1.26 -1.63 121.20 117.48 1aof s ILE 245 Ca -0.01 -0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.04 1aof s ILE 245 Cb -0.06 -0.97 0.03 0.00 0.13 0.00 0.00 42.46 41.60 1aof s ILE 245 CO -0.00 -0.02 0.41 -0.70 -1.91 0.00 0.00 174.94 172.72 1aof s GLU 246 N -1.25 1.11 0.29 3.50 2.56 -0.33 -4.86 118.70 119.72 1aof s GLU 246 Ca -0.11 -0.75 0.10 0.00 0.00 0.00 0.00 54.97 54.21 1aof s GLU 246 Cb -0.00 0.47 -0.05 0.00 2.00 0.00 0.00 34.13 36.55 1aof s GLU 246 CO 0.09 -0.44 -0.02 0.95 -0.56 0.00 0.00 175.26 175.28 1aof s THR 247 N -3.82 3.12 0.04 -1.70 -4.23 -1.26 -0.78 115.64 107.01 1aof s THR 247 Ca 0.04 -1.99 -0.31 0.00 -1.18 0.00 0.00 61.69 58.26 1aof s THR 247 Cb 0.02 -2.76 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 1aof s THR 247 CO -0.10 -0.34 1.33 -0.94 -0.54 0.00 0.00 174.62 174.03 1aof s SER 248 N -3.67 6.92 0.00 3.99 1.04 -0.54 -4.68 113.70 116.77 1aof s SER 248 Ca 0.32 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.87 1aof s SER 248 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1aof s SER 248 CO 0.19 -0.63 0.88 0.29 0.98 0.00 0.00 173.24 174.96 1aof n LYS 249 N 4.62 2.27 -2.59 4.02 5.02 -1.26 -4.24 118.16 126.00 1aof n LYS 249 Ca 0.11 -1.27 -0.41 0.00 -2.02 0.00 0.00 58.31 54.72 1aof n LYS 249 Cb 0.44 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.49 1aof n LYS 249 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1aof s MET 250 N -0.78 4.61 0.17 1.97 1.75 -1.22 -4.71 119.30 121.09 1aof s MET 250 Ca 0.00 1.61 -0.34 0.00 -1.25 0.00 0.00 55.69 55.72 1aof s MET 250 Cb 0.00 -3.33 -0.14 0.00 2.84 0.00 0.00 34.83 34.19 1aof s MET 250 CO 0.00 0.07 1.50 -1.91 -0.65 0.00 0.00 175.02 174.02 1aof n GLU 251 N 2.83 1.97 0.00 4.11 2.13 -1.26 -0.67 120.64 129.75 1aof n GLU 251 Ca 0.04 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1aof n GLU 251 Cb 0.48 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1aof n GLU 251 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aof n GLY 252 N 2.97 1.71 0.45 8.31 0.00 -1.26 -4.89 105.19 112.47 1aof n GLY 252 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1aof n GLY 252 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1aof n TRP 253 N -1.94 0.35 -1.77 1.61 7.02 0.15 -5.02 117.44 117.85 1aof n TRP 253 Ca 0.00 -1.08 -0.42 0.00 -1.02 0.00 0.00 57.50 54.99 1aof n TRP 253 Cb 0.00 -0.24 -0.02 0.00 -2.42 0.00 0.00 31.31 28.63 1aof n TRP 253 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1aof s GLU 254 N -2.94 4.12 0.00 -0.99 8.01 -1.25 -2.28 118.70 123.37 1aof s GLU 254 Ca 0.37 2.58 0.00 0.00 0.01 0.00 0.00 54.97 57.93 1aof s GLU 254 Cb 0.32 -3.04 0.00 0.00 -4.31 0.00 0.00 34.13 27.10 1aof s GLU 254 CO 0.03 -0.67 0.00 -0.25 0.01 0.00 0.00 175.26 174.38 1aof n ASP 255 N 2.80 -4.39 0.14 -0.19 8.00 -1.26 -4.89 116.55 116.76 1aof n ASP 255 Ca 0.11 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.36 1aof n ASP 255 Cb 0.37 -2.64 -0.15 0.00 -0.02 0.00 0.00 41.12 38.68 1aof n ASP 255 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1aof h LYS 256 N 0.32 0.55 -4.08 -1.24 1.57 -1.78 -3.37 116.57 108.55 1aof h LYS 256 Ca 0.00 -0.90 -0.11 0.00 -1.87 0.00 0.00 60.65 57.76 1aof h LYS 256 Cb 0.63 0.33 -0.15 0.00 0.08 0.00 0.00 32.23 33.12 1aof h LYS 256 CO 0.00 1.43 -0.59 0.71 -0.57 0.00 0.00 179.45 180.43 1aof s TYR 257 N -2.65 0.39 0.05 -1.35 2.02 -1.26 -0.64 117.35 113.90 1aof s TYR 257 Ca -0.09 -0.87 0.03 0.00 -0.37 0.00 0.00 57.07 55.77 1aof s TYR 257 Cb 0.04 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.30 1aof s TYR 257 CO 0.94 -0.41 -0.10 0.00 -1.57 0.00 0.00 175.55 174.42 1aof s ALA 258 N -3.66 0.75 -0.01 3.71 0.00 -0.62 -1.47 121.76 120.46 1aof s ALA 258 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1aof s ALA 258 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1aof s ALA 258 CO -0.09 0.05 -0.06 -1.50 0.00 0.00 0.00 175.76 174.16 1aof s ILE 259 N -1.26 0.48 0.06 0.00 2.07 0.04 -0.37 121.20 122.23 1aof s ILE 259 Ca -0.07 -0.23 0.07 0.00 -1.41 0.00 0.00 60.65 59.01 1aof s ILE 259 Cb -0.09 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1aof s ILE 259 CO 0.01 0.15 -0.18 0.00 -1.91 0.00 0.00 174.94 173.01 1aof s ALA 260 N 0.05 1.53 0.10 1.50 0.00 -0.37 -1.18 121.76 123.39 1aof s ALA 260 Ca -0.00 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.02 1aof s ALA 260 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1aof s ALA 260 CO -0.00 0.31 -0.25 0.20 0.00 0.00 0.00 175.76 176.01 1aof s GLY 261 N -1.45 1.43 0.22 0.00 0.00 -0.64 -0.56 107.32 106.32 1aof s GLY 261 Ca 0.04 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.53 1aof s GLY 261 CO 0.02 -1.29 -0.20 0.00 0.00 0.00 0.00 173.10 171.64 1aof s ALA 262 N -0.99 2.42 -0.08 3.20 0.00 -0.41 -3.70 121.76 122.21 1aof s ALA 262 Ca 0.11 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.29 1aof s ALA 262 Cb -0.10 -0.23 -0.28 0.00 0.00 0.00 0.00 23.12 22.51 1aof s ALA 262 CO 0.04 0.27 0.54 1.88 0.00 0.00 0.00 175.76 178.49 1aof h TYR 263 N 2.74 0.57 -2.94 0.00 -1.99 -0.63 -2.29 116.97 112.44 1aof h TYR 263 Ca -0.42 -0.42 -0.20 0.00 2.00 0.00 0.00 58.73 59.70 1aof h TYR 263 Cb 1.23 -0.02 -0.31 0.00 2.00 0.00 0.00 36.73 39.63 1aof h TYR 263 CO 0.74 1.69 -0.49 -0.46 -0.00 0.00 0.00 178.16 179.63 1aof s TRP 264 N -2.57 -0.38 0.90 4.88 -0.11 -1.05 -4.03 118.94 116.57 1aof s TRP 264 Ca -0.18 0.89 -0.12 0.00 1.22 0.00 0.00 56.10 57.91 1aof s TRP 264 Cb 0.06 0.02 0.13 0.00 -1.50 0.00 0.00 33.47 32.18 1aof s TRP 264 CO 0.81 -0.29 1.09 -2.14 -4.62 0.00 0.00 176.95 171.81 1aof s PRO 265 N 1.75 1.25 -0.86 5.86 0.02 -1.26 -0.48 135.00 141.29 1aof s PRO 265 Ca -0.05 0.81 -0.25 0.00 0.02 0.00 0.00 61.00 61.53 1aof s PRO 265 Cb -0.11 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 1aof s PRO 265 CO -0.09 -2.24 1.71 -2.14 -0.33 0.00 0.00 177.00 173.91 1aof s PRO 266 N -4.94 2.94 0.04 5.54 0.02 -1.26 -4.55 135.00 132.78 1aof s PRO 266 Ca 0.63 -0.33 -0.28 0.00 0.02 0.00 0.00 61.00 61.04 1aof s PRO 266 Cb -0.18 -4.89 0.09 0.00 0.02 0.00 0.00 34.50 29.54 1aof s PRO 266 CO 0.57 -2.77 0.89 1.14 -0.33 0.00 0.00 177.00 176.49 1aof s GLN 267 N 6.29 0.93 0.16 5.54 -2.07 -1.26 -1.08 119.66 128.17 1aof s GLN 267 Ca 0.58 -0.39 0.08 0.00 -1.82 0.00 0.00 55.36 53.81 1aof s GLN 267 Cb -0.06 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 1aof s GLN 267 CO 0.03 -0.41 -0.18 1.52 -1.32 0.00 0.00 175.29 174.93 1aof s TYR 268 N -3.20 1.78 -0.03 9.60 -0.85 -0.54 -1.29 117.35 122.82 1aof s TYR 268 Ca 0.06 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 1aof s TYR 268 Cb -0.01 -0.90 0.02 0.00 0.38 0.00 0.00 41.96 41.45 1aof s TYR 268 CO -0.07 0.31 -0.04 0.08 -1.52 0.00 0.00 175.55 174.31 1aof s VAL 269 N -2.01 0.46 -0.22 -3.49 1.01 0.28 -1.58 120.40 114.86 1aof s VAL 269 Ca 0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1aof s VAL 269 Cb -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1aof s VAL 269 CO 0.06 0.19 0.19 -0.63 0.00 0.00 0.00 175.10 174.91 1aof s ILE 270 N 0.68 5.35 0.19 2.22 1.01 0.12 -1.23 121.20 129.53 1aof s ILE 270 Ca -0.08 0.28 0.10 0.00 0.00 0.00 0.00 60.65 60.94 1aof s ILE 270 Cb -0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1aof s ILE 270 CO -0.00 0.37 -0.20 -0.04 0.00 0.00 0.00 174.94 175.07 1aof s MET 271 N 0.82 1.39 0.19 2.79 -1.94 0.51 -0.51 119.30 122.55 1aof s MET 271 Ca 0.10 -1.50 -0.31 0.00 -1.71 0.00 0.00 55.69 52.27 1aof s MET 271 Cb -0.13 -1.49 -0.10 0.00 2.01 0.00 0.00 34.83 35.12 1aof s MET 271 CO 0.03 0.30 1.55 0.34 -0.01 0.00 0.00 175.02 177.23 1aof s ASP 272 N -2.84 6.58 0.00 3.03 -1.08 0.01 -1.60 116.67 120.78 1aof s ASP 272 Ca 0.19 2.65 0.12 0.00 -0.52 0.00 0.00 52.55 55.00 1aof s ASP 272 Cb -0.06 -2.60 0.55 0.00 -1.46 0.00 0.00 42.92 39.35 1aof s ASP 272 CO 0.08 -0.81 1.33 0.61 0.52 0.00 0.00 175.17 176.91 1aof n GLY 273 N 3.34 -0.80 0.02 2.66 0.00 0.19 -0.93 105.19 109.67 1aof n GLY 273 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1aof n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aof n GLU 274 N -1.40 2.09 -0.00 1.61 1.02 -1.26 -4.79 120.64 117.91 1aof n GLU 274 Ca 0.04 -0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 1aof n GLU 274 Cb 0.12 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1aof n GLU 274 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1aof n THR 275 N -2.03 0.00 -1.04 2.62 -2.24 -1.22 -4.85 114.28 105.52 1aof n THR 275 Ca -0.06 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1aof n THR 275 Cb 0.50 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1aof n THR 275 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aof n LEU 276 N -1.30 0.17 -4.69 3.22 4.77 -0.10 -4.81 117.00 114.26 1aof n LEU 276 Ca 0.00 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1aof n LEU 276 Cb 0.05 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1aof n LEU 276 CO 0.05 -0.34 1.50 -0.70 -1.33 0.00 0.00 177.39 176.57 1aof s GLU 277 N -1.03 4.13 -0.01 3.23 2.12 -1.26 -4.50 118.70 121.39 1aof s GLU 277 Ca 0.00 2.61 -0.30 0.00 0.36 0.00 0.00 54.97 57.64 1aof s GLU 277 Cb 0.00 -3.67 -0.06 0.00 0.26 0.00 0.00 34.13 30.66 1aof s GLU 277 CO 0.00 -0.86 1.62 -1.25 -0.54 0.00 0.00 175.26 174.23 1aof s PRO 278 N 2.97 4.20 -0.21 4.30 0.04 -1.26 -0.81 135.00 144.23 1aof s PRO 278 Ca 0.82 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 64.05 1aof s PRO 278 Cb -0.46 -3.80 -0.13 0.00 0.04 0.00 0.00 34.50 30.15 1aof s PRO 278 CO 0.37 -0.77 -0.22 1.63 0.04 0.00 0.00 177.00 178.06 1aof n LYS 279 N 6.39 0.51 -3.74 4.56 4.76 0.34 -4.94 118.16 126.03 1aof n LYS 279 Ca 0.16 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.62 1aof n LYS 279 Cb 0.42 -1.39 -0.13 0.00 -1.84 0.00 0.00 35.03 32.09 1aof n LYS 279 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1aof s LYS 280 N -2.42 0.18 -0.11 1.97 2.47 -0.99 -5.00 119.74 115.84 1aof s LYS 280 Ca -0.29 0.45 0.03 0.00 -1.56 0.00 0.00 55.97 54.59 1aof s LYS 280 Cb 0.09 -0.10 -0.00 0.00 -1.46 0.00 0.00 37.83 36.35 1aof s LYS 280 CO 0.46 -0.14 -0.21 0.42 0.16 0.00 0.00 175.35 176.03 1aof s ILE 281 N 1.07 2.30 -0.05 5.43 1.01 -1.26 -0.71 121.20 128.99 1aof s ILE 281 Ca -0.08 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.68 1aof s ILE 281 Cb -0.09 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1aof s ILE 281 CO -0.07 0.55 -0.15 -1.10 0.00 0.00 0.00 174.94 174.18 1aof s GLN 282 N 0.42 1.69 0.28 2.79 -1.52 -0.61 -5.01 119.66 117.70 1aof s GLN 282 Ca -0.15 -0.51 -0.25 0.00 -1.95 0.00 0.00 55.36 52.50 1aof s GLN 282 Cb -0.17 -1.44 -0.09 0.00 -0.22 0.00 0.00 33.01 31.09 1aof s GLN 282 CO 0.07 0.15 0.88 0.45 -0.25 0.00 0.00 175.29 176.59 1aof s SER 283 N 0.29 7.32 0.00 5.90 0.15 -1.26 -1.47 113.70 124.62 1aof s SER 283 Ca -0.08 1.74 0.22 0.00 0.70 0.00 0.00 55.95 58.53 1aof s SER 283 Cb -0.13 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 61.93 1aof s SER 283 CO 0.03 -0.00 1.28 0.35 1.20 0.00 0.00 173.24 176.10 1aof n THR 284 N 0.77 0.26 -1.85 6.45 -2.24 -0.24 -4.93 114.28 112.50 1aof n THR 284 Ca 0.00 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 1aof n THR 284 Cb 0.50 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.93 1aof n THR 284 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aof s ARG 285 N -1.62 4.16 0.00 -0.78 0.52 -1.26 -4.59 118.95 115.38 1aof s ARG 285 Ca 0.31 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 58.03 1aof s ARG 285 Cb 0.20 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.65 1aof s ARG 285 CO 0.29 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.49 1aof n GLY 286 N 1.35 -0.79 3.84 -3.53 0.00 -1.18 -5.03 105.19 99.85 1aof n GLY 286 Ca 0.04 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 1aof n GLY 286 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aof s MET 287 N -0.34 4.01 0.37 1.61 -1.94 -1.26 -0.21 119.30 121.54 1aof s MET 287 Ca 0.00 0.52 -0.27 0.00 -1.71 0.00 0.00 55.69 54.24 1aof s MET 287 Cb 0.00 -2.99 -0.09 0.00 2.01 0.00 0.00 34.83 33.76 1aof s MET 287 CO 0.00 0.51 1.20 0.95 -0.01 0.00 0.00 175.02 177.67 1aof s THR 288 N -1.40 3.06 0.35 2.05 -4.23 -0.36 -4.84 115.64 110.27 1aof s THR 288 Ca 0.36 0.95 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 1aof s THR 288 Cb -0.16 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.39 1aof s THR 288 CO 0.19 0.14 2.00 0.10 -0.54 0.00 0.00 174.62 176.51 1aof h TYR 289 N 2.95 0.81 0.00 3.99 -0.00 -1.19 -1.04 116.97 122.49 1aof h TYR 289 Ca -0.49 0.02 -0.07 0.00 -0.00 0.00 0.00 58.73 58.20 1aof h TYR 289 Cb 1.23 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 37.68 1aof h TYR 289 CO 0.56 0.49 -0.55 0.38 -0.00 0.00 0.00 178.16 179.04 1aof h ASP 290 N 0.86 0.00 0.76 0.10 3.04 -1.92 -3.39 116.42 115.87 1aof h ASP 290 Ca 0.26 -0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1aof h ASP 290 Cb -0.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 1aof h ASP 290 CO -0.06 0.96 -0.42 -0.62 -2.04 0.00 0.00 179.24 177.05 1aof n GLU 291 N -4.59 0.11 -3.86 4.15 1.02 -1.26 -4.96 120.64 111.25 1aof n GLU 291 Ca -0.14 0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 1aof n GLU 291 Cb 0.37 -1.58 0.01 0.00 -0.02 0.00 0.00 31.44 30.22 1aof n GLU 291 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aof n GLN 292 N -1.74 -2.08 -4.96 3.49 6.02 -0.39 -4.96 117.38 112.77 1aof n GLN 292 Ca 0.05 0.38 -0.31 0.00 -0.01 0.00 0.00 57.00 57.11 1aof n GLN 292 Cb 0.37 -4.13 -0.14 0.00 1.02 0.00 0.00 30.24 27.36 1aof n GLN 292 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1aof s GLU 293 N -6.43 2.17 0.19 -1.09 2.12 -1.26 -4.82 118.70 109.58 1aof s GLU 293 Ca 0.25 -0.90 -0.31 0.00 0.36 0.00 0.00 54.97 54.37 1aof s GLU 293 Cb -0.10 -2.17 -0.10 0.00 0.26 0.00 0.00 34.13 32.02 1aof s GLU 293 CO 0.89 0.57 1.51 -0.47 -0.54 0.00 0.00 175.26 177.21 1aof s TYR 294 N -0.76 3.05 -0.20 5.30 5.04 -1.26 -1.22 117.35 127.30 1aof s TYR 294 Ca 0.12 0.80 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1aof s TYR 294 Cb -0.10 -3.87 0.04 0.00 0.35 0.00 0.00 41.96 38.37 1aof s TYR 294 CO 0.02 -3.06 -0.15 -1.58 -1.34 0.00 0.00 175.55 169.43 1aof s HIS 295 N 0.69 2.81 -1.68 4.97 5.65 0.71 -4.93 115.29 123.51 1aof s HIS 295 Ca 0.65 -1.80 0.26 0.00 0.25 0.00 0.00 55.06 54.42 1aof s HIS 295 Cb -0.43 -1.85 1.42 0.00 -1.18 0.00 0.00 32.58 30.54 1aof s HIS 295 CO 0.36 -0.81 1.89 -0.35 -0.65 0.00 0.00 174.74 175.18 1aof n PRO 296 N 4.59 0.57 -3.04 2.88 -0.04 -1.26 -3.09 135.00 135.61 1aof n PRO 296 Ca -0.18 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1aof n PRO 296 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1aof n PRO 296 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1aof n GLU 297 N -1.16 0.93 -2.83 0.54 2.13 -1.26 -4.91 120.64 114.08 1aof n GLU 297 Ca 0.16 -2.86 -0.43 0.00 0.66 0.00 0.00 57.16 54.69 1aof n GLU 297 Cb 0.15 -1.44 -0.04 0.00 0.27 0.00 0.00 31.44 30.38 1aof n GLU 297 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1aof s PRO 298 N -1.33 3.40 0.32 5.31 0.02 -1.26 -4.80 135.00 136.67 1aof s PRO 298 Ca 0.34 -0.10 -0.29 0.00 0.02 0.00 0.00 61.00 60.97 1aof s PRO 298 Cb 0.30 -4.00 -0.10 0.00 0.02 0.00 0.00 34.50 30.72 1aof s PRO 298 CO -0.09 -1.38 1.23 1.03 -0.33 0.00 0.00 177.00 177.46 1aof s ARG 299 N 3.86 4.42 -0.08 5.54 0.52 -1.26 -4.65 118.95 127.30 1aof s ARG 299 Ca 0.33 2.05 -0.27 0.00 -0.52 0.00 0.00 55.73 57.33 1aof s ARG 299 Cb -0.12 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1aof s ARG 299 CO 0.22 -0.07 0.85 0.08 0.02 0.00 0.00 175.30 176.40 1aof s VAL 300 N -1.17 4.92 0.00 3.52 1.01 -0.86 -1.26 120.40 126.56 1aof s VAL 300 Ca 0.48 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.20 1aof s VAL 300 Cb -0.37 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1aof s VAL 300 CO 0.48 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1aof n ALA 301 N 4.35 0.00 -1.76 5.51 0.00 -0.01 -4.62 120.51 123.97 1aof n ALA 301 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 1aof n ALA 301 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1aof n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aof s ALA 302 N -2.86 3.07 -0.09 0.00 0.00 -0.68 -4.68 121.76 116.52 1aof s ALA 302 Ca 0.00 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1aof s ALA 302 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1aof s ALA 302 CO 0.00 -0.94 -0.12 0.42 0.00 0.00 0.00 175.76 175.12 1aof s ILE 303 N -1.34 1.19 0.42 0.00 1.01 -1.26 -1.65 121.20 119.57 1aof s ILE 303 Ca 0.63 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1aof s ILE 303 Cb -0.36 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1aof s ILE 303 CO 0.45 0.38 0.02 -0.76 0.00 0.00 0.00 174.94 175.04 1aof s LEU 304 N 1.02 2.54 -0.08 2.97 1.02 0.13 -4.68 118.68 121.59 1aof s LEU 304 Ca -0.07 -1.47 0.04 0.00 0.02 0.00 0.00 54.13 52.64 1aof s LEU 304 Cb -0.15 -0.71 0.00 0.00 0.02 0.00 0.00 46.19 45.35 1aof s LEU 304 CO -0.01 -0.62 -0.21 0.00 0.02 0.00 0.00 176.35 175.53 1aof s ALA 305 N -2.89 1.91 0.43 4.21 0.00 -1.26 -0.18 121.76 123.98 1aof s ALA 305 Ca 0.26 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 1aof s ALA 305 Cb 0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 1aof s ALA 305 CO 0.13 0.27 1.12 0.45 0.00 0.00 0.00 175.76 177.74 1aof s SER 306 N 0.29 6.41 0.00 0.00 0.15 -0.45 -4.87 113.70 115.25 1aof s SER 306 Ca -0.14 2.20 0.14 0.00 0.70 0.00 0.00 55.95 58.86 1aof s SER 306 Cb -0.16 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.52 1aof s SER 306 CO 0.06 -0.74 0.76 1.41 1.20 0.00 0.00 173.24 175.93 1aof n HIS 307 N -0.30 0.00 -0.04 3.44 8.25 -1.26 -3.38 115.22 121.93 1aof n HIS 307 Ca 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.52 1aof n HIS 307 Cb 0.49 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.48 1aof n HIS 307 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1aof n TYR 308 N -0.40 0.00 -3.92 4.41 4.02 -1.26 -4.72 117.16 115.29 1aof n TYR 308 Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1aof n TYR 308 Cb 0.29 -0.56 -0.10 0.00 -0.02 0.00 0.00 39.34 38.95 1aof n TYR 308 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1aof s ARG 309 N -2.67 0.45 -0.98 -0.72 0.52 -1.26 -4.98 118.95 109.30 1aof s ARG 309 Ca -0.07 -0.53 -0.20 0.00 -0.52 0.00 0.00 55.73 54.41 1aof s ARG 309 Cb 0.07 0.18 -0.10 0.00 0.52 0.00 0.00 34.95 35.62 1aof s ARG 309 CO 0.62 -0.10 2.00 -0.35 0.02 0.00 0.00 175.30 177.49 1aof n PRO 310 N 1.37 1.89 -4.04 3.54 -0.04 -1.26 -4.43 135.00 132.03 1aof n PRO 310 Ca -0.23 -2.11 -0.08 0.00 -0.04 0.00 0.00 63.50 61.05 1aof n PRO 310 Cb 0.56 -3.07 -0.11 0.00 -0.04 0.00 0.00 33.50 30.84 1aof n PRO 310 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1aof s GLU 311 N 4.62 0.46 0.07 0.54 2.02 -1.26 -1.64 118.70 123.51 1aof s GLU 311 Ca 0.55 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1aof s GLU 311 Cb 0.13 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1aof s GLU 311 CO 0.07 -0.08 0.10 -0.06 0.02 0.00 0.00 175.26 175.31 1aof s PHE 312 N -2.67 3.25 -0.31 1.61 0.08 -0.18 -1.34 117.98 118.42 1aof s PHE 312 Ca -0.05 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 1aof s PHE 312 Cb -0.01 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1aof s PHE 312 CO -0.05 0.53 0.06 0.42 -0.10 0.00 0.00 175.22 176.08 1aof s ILE 313 N -1.40 3.57 -0.21 0.64 1.01 0.75 -1.05 121.20 124.52 1aof s ILE 313 Ca 0.30 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1aof s ILE 313 Cb -0.12 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1aof s ILE 313 CO 0.23 -0.05 -0.07 -0.69 0.00 0.00 0.00 174.94 174.36 1aof s VAL 314 N 1.39 3.20 -0.13 2.92 1.01 0.30 -0.70 120.40 128.40 1aof s VAL 314 Ca -0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1aof s VAL 314 Cb -0.19 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1aof s VAL 314 CO 0.01 0.45 0.66 0.20 0.00 0.00 0.00 175.10 176.42 1aof s ASN 315 N 1.34 6.84 -0.36 3.32 0.01 -0.66 -0.60 114.94 124.82 1aof s ASN 315 Ca 0.04 1.01 -0.04 0.00 -0.71 0.00 0.00 52.86 53.16 1aof s ASN 315 Cb -0.14 -2.38 0.07 0.00 0.41 0.00 0.00 41.25 39.22 1aof s ASN 315 CO -0.04 -0.19 0.13 -0.69 -1.51 0.00 0.00 177.10 174.81 1aof s VAL 316 N 1.31 3.42 0.00 1.60 1.01 -0.17 -0.83 120.40 126.73 1aof s VAL 316 Ca 0.33 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1aof s VAL 316 Cb -0.17 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1aof s VAL 316 CO 0.14 -0.40 0.83 1.17 0.00 0.00 0.00 175.10 176.84 1aof n LYS 317 N 4.69 0.00 0.24 2.72 4.81 -0.39 -2.37 118.16 127.86 1aof n LYS 317 Ca -0.08 0.58 0.07 0.00 -0.87 0.00 0.00 58.31 58.01 1aof n LYS 317 Cb 0.43 -1.33 0.60 0.00 0.02 0.00 0.00 35.03 34.75 1aof n LYS 317 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1aof h GLU 318 N 0.00 0.03 0.00 1.64 3.07 -1.87 0.62 114.58 118.07 1aof h GLU 318 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1aof h GLU 318 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1aof h GLU 318 CO 0.00 0.06 -0.65 0.25 -1.40 0.00 0.00 179.01 177.27 1aof n THR 319 N -4.49 0.23 -3.03 1.13 -2.24 -1.25 -4.67 114.28 99.96 1aof n THR 319 Ca -0.03 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1aof n THR 319 Cb 0.12 0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1aof n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aof n GLY 320 N 1.38 0.03 3.19 3.38 0.00 -1.00 -0.71 105.19 111.47 1aof n GLY 320 Ca 0.04 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1aof n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aof s LYS 321 N -5.40 1.31 -0.17 1.61 1.02 -1.09 -0.67 119.74 116.36 1aof s LYS 321 Ca 0.21 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 1aof s LYS 321 Cb -0.09 -1.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1aof s LYS 321 CO 0.43 0.35 -0.11 0.42 -0.92 0.00 0.00 175.35 175.52 1aof s ILE 322 N -0.65 3.03 -0.15 2.17 1.01 -0.43 -1.00 121.20 125.18 1aof s ILE 322 Ca 0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 1aof s ILE 322 Cb -0.08 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1aof s ILE 322 CO 0.01 0.49 0.03 -0.76 0.00 0.00 0.00 174.94 174.71 1aof s LEU 323 N 0.85 3.69 -0.39 2.97 1.43 0.23 -0.67 118.68 126.79 1aof s LEU 323 Ca -0.03 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1aof s LEU 323 Cb -0.15 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1aof s LEU 323 CO 0.00 0.23 0.22 -0.76 0.23 0.00 0.00 176.35 176.27 1aof s LEU 324 N 0.03 4.89 -0.40 1.79 1.43 -0.40 -0.54 118.68 125.49 1aof s LEU 324 Ca 0.04 -1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 51.68 1aof s LEU 324 Cb -0.12 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1aof s LEU 324 CO 0.01 -0.46 0.27 -0.69 0.23 0.00 0.00 176.35 175.71 1aof s VAL 325 N 1.44 5.00 -0.23 -1.59 1.01 -0.21 -1.23 120.40 124.59 1aof s VAL 325 Ca 0.02 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1aof s VAL 325 Cb -0.21 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1aof s VAL 325 CO 0.03 -0.30 1.13 -0.62 0.00 0.00 0.00 175.10 175.34 1aof s ASP 326 N 1.67 7.01 -0.15 3.32 -1.08 -0.86 -1.01 116.67 125.56 1aof s ASP 326 Ca 0.04 1.42 0.15 0.00 -0.52 0.00 0.00 52.55 53.64 1aof s ASP 326 Cb -0.19 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.44 1aof s ASP 326 CO 0.09 -0.75 1.60 0.00 0.52 0.00 0.00 175.17 176.63 1aof n TYR 327 N 6.55 1.63 0.30 -5.34 0.18 -0.65 -4.35 117.16 115.47 1aof n TYR 327 Ca 0.13 -0.60 0.13 0.00 1.88 0.00 0.00 57.90 59.43 1aof n TYR 327 Cb 0.46 -0.34 0.31 0.00 -0.38 0.00 0.00 39.34 39.38 1aof n TYR 327 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 1aof h THR 328 N 3.76 0.00 -1.79 -3.48 1.35 -1.92 -3.41 112.91 107.41 1aof h THR 328 Ca 0.00 -0.81 -0.14 0.00 -0.55 0.00 0.00 66.41 64.91 1aof h THR 328 Cb 1.59 1.80 -0.29 0.00 -1.73 0.00 0.00 68.15 69.51 1aof h THR 328 CO 0.32 0.00 -0.48 -0.62 -0.25 0.00 0.00 175.52 174.49 1aof s ASP 329 N -5.79 0.17 0.22 5.36 -1.08 -1.26 -5.03 116.67 109.26 1aof s ASP 329 Ca 0.06 0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.47 1aof s ASP 329 Cb 0.07 1.18 0.54 0.00 -1.46 0.00 0.00 42.92 43.26 1aof s ASP 329 CO 0.63 -0.31 1.57 -0.07 0.52 0.00 0.00 175.17 177.50 1aof h LEU 330 N 8.17 0.00 0.11 -1.34 3.38 -1.86 -3.23 115.31 120.54 1aof h LEU 330 Ca -0.17 -0.06 -0.33 0.00 0.09 0.00 0.00 57.88 57.40 1aof h LEU 330 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1aof h LEU 330 CO 0.27 0.03 -1.76 0.78 0.09 0.00 0.00 178.44 177.85 1aof h ASN 331 N 0.00 0.36 -2.50 -0.43 -0.26 -1.98 -3.36 115.58 107.41 1aof h ASN 331 Ca 0.00 -0.65 -0.66 0.00 -0.56 0.00 0.00 56.30 54.43 1aof h ASN 331 Cb 0.80 -0.12 -0.38 0.00 -1.06 0.00 0.00 38.32 37.56 1aof h ASN 331 CO 0.00 1.56 -0.22 0.59 -1.06 0.00 0.00 177.43 178.30 1aof n ASN 332 N -3.41 4.40 -4.64 5.81 3.02 -1.25 -5.05 115.26 114.14 1aof n ASN 332 Ca -0.23 -3.40 -0.43 0.00 -0.03 0.00 0.00 54.58 50.49 1aof n ASN 332 Cb 1.05 -0.85 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1aof n ASN 332 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1aof s LEU 333 N -2.42 3.97 -0.19 3.41 2.96 -1.22 -4.75 118.68 120.44 1aof s LEU 333 Ca 0.36 1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 55.75 1aof s LEU 333 Cb 0.10 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 1aof s LEU 333 CO -0.00 -1.12 0.22 -0.75 -1.32 0.00 0.00 176.35 173.39 1aof s LYS 334 N 4.34 4.19 0.03 1.98 2.20 -1.26 -5.05 119.74 126.18 1aof s LYS 334 Ca 0.66 -0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1aof s LYS 334 Cb -0.23 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1aof s LYS 334 CO 0.26 0.20 -0.03 0.95 -0.36 0.00 0.00 175.35 176.36 1aof s THR 335 N 0.63 0.16 -0.21 3.43 -4.23 -1.26 -2.03 115.64 112.13 1aof s THR 335 Ca 0.12 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1aof s THR 335 Cb -0.13 -0.85 0.04 0.00 1.34 0.00 0.00 72.50 72.90 1aof s THR 335 CO 0.02 -0.73 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.34 1aof s THR 336 N -2.61 1.96 -0.48 3.99 2.01 -0.37 -4.97 115.64 115.18 1aof s THR 336 Ca -0.05 -1.21 -0.17 0.00 0.31 0.00 0.00 61.69 60.57 1aof s THR 336 Cb -0.02 -1.96 0.06 0.00 0.01 0.00 0.00 72.50 70.60 1aof s THR 336 CO -0.05 0.22 0.47 -0.70 -0.69 0.00 0.00 174.62 173.87 1aof s GLU 337 N 1.26 3.03 -0.22 4.92 2.12 -1.26 -1.28 118.70 127.28 1aof s GLU 337 Ca -0.02 -1.15 -0.17 0.00 0.36 0.00 0.00 54.97 53.99 1aof s GLU 337 Cb -0.17 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.08 1aof s GLU 337 CO -0.09 -1.07 0.44 0.42 -0.54 0.00 0.00 175.26 174.42 1aof s ILE 338 N 2.01 5.15 -0.26 -3.70 1.01 0.16 -4.94 121.20 120.63 1aof s ILE 338 Ca 0.08 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.23 1aof s ILE 338 Cb -0.22 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1aof s ILE 338 CO 0.09 0.20 1.34 -0.44 0.00 0.00 0.00 174.94 176.12 1aof s SER 339 N 1.21 6.69 0.00 3.58 0.01 -1.26 -1.31 113.70 122.61 1aof s SER 339 Ca 0.20 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1aof s SER 339 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1aof s SER 339 CO 0.09 -1.04 0.00 0.00 0.41 0.00 0.00 173.24 172.70 1aof n ALA 340 N 7.53 0.00 -3.41 1.44 0.00 0.16 -4.96 120.51 121.27 1aof n ALA 340 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1aof n ALA 340 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1aof n ALA 340 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aof s GLU 341 N 1.00 0.78 0.57 0.00 2.56 -1.19 -5.01 118.70 117.42 1aof s GLU 341 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 54.97 55.09 1aof s GLU 341 Cb 0.00 0.37 -0.05 0.00 2.00 0.00 0.00 34.13 36.45 1aof s GLU 341 CO 0.00 -0.19 1.18 1.03 -0.56 0.00 0.00 175.26 176.72 1aof s ARG 342 N -0.67 3.13 -0.41 4.30 0.52 -1.26 -3.99 118.95 120.56 1aof s ARG 342 Ca -0.08 1.74 -0.02 0.00 -0.52 0.00 0.00 55.73 56.85 1aof s ARG 342 Cb -0.03 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1aof s ARG 342 CO 0.05 -1.06 0.26 1.19 0.02 0.00 0.00 175.30 175.76 1aof n PHE 343 N -1.47 -0.70 -1.94 -0.53 3.72 0.18 -4.57 117.46 112.15 1aof n PHE 343 Ca 0.13 0.22 -0.40 0.00 -0.05 0.00 0.00 57.45 57.35 1aof n PHE 343 Cb 0.50 -2.08 -0.00 0.00 -0.94 0.00 0.00 39.48 36.96 1aof n PHE 343 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1aof s LEU 344 N -2.55 4.29 0.00 4.37 1.43 -1.23 -2.27 118.68 122.72 1aof s LEU 344 Ca 0.13 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.08 1aof s LEU 344 Cb -0.06 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1aof s LEU 344 CO 0.16 -0.83 0.00 1.57 0.23 0.00 0.00 176.35 177.48 1aof n HIS 345 N 0.37 0.00 -3.78 0.29 -0.00 -0.03 -4.28 115.22 107.80 1aof n HIS 345 Ca 0.02 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.96 1aof n HIS 345 Cb 0.41 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.26 1aof n HIS 345 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1aof s ASP 346 N 1.00 4.75 0.00 0.26 -4.77 -1.26 -1.69 116.67 114.96 1aof s ASP 346 Ca 0.00 -1.05 0.00 0.00 -3.30 0.00 0.00 52.55 48.20 1aof s ASP 346 Cb 0.00 -0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.82 1aof s ASP 346 CO 0.00 -0.90 0.00 0.61 0.70 0.00 0.00 175.17 175.58 1aof n GLY 347 N -1.65 -1.77 3.77 2.12 0.00 -0.88 -1.28 105.19 105.51 1aof n GLY 347 Ca 0.01 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1aof n GLY 347 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aof s GLY 348 N 0.00 0.26 0.41 -0.02 0.00 -0.32 -4.08 107.32 103.57 1aof s GLY 348 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.02 1aof s GLY 348 CO 0.00 -0.31 0.74 1.08 0.00 0.00 0.00 173.10 174.61 1aof s LEU 349 N -3.00 3.80 0.00 0.66 1.43 -1.26 -0.72 118.68 119.60 1aof s LEU 349 Ca 0.16 1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 54.09 1aof s LEU 349 Cb -0.04 -3.91 0.25 0.00 0.03 0.00 0.00 46.19 42.52 1aof s LEU 349 CO 0.09 -0.42 1.14 -0.90 0.23 0.00 0.00 176.35 176.49 1aof n ASP 350 N -1.53 -0.98 -0.23 2.29 5.75 -0.35 -4.85 116.55 116.64 1aof n ASP 350 Ca 0.01 -1.29 0.09 0.00 -0.01 0.00 0.00 54.79 53.59 1aof n ASP 350 Cb 0.54 -0.95 0.36 0.00 -1.03 0.00 0.00 41.12 40.04 1aof n ASP 350 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1aof h GLY 351 N -2.12 1.08 1.25 6.12 0.00 -1.92 -1.09 103.07 106.40 1aof h GLY 351 Ca -0.40 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1aof h GLY 351 CO 0.27 0.17 -0.07 -1.14 0.00 0.00 0.00 176.54 175.77 1aof n SER 352 N -4.51 0.24 -0.44 0.19 3.41 -1.26 -4.92 113.62 106.32 1aof n SER 352 Ca 0.14 -0.33 -0.06 0.00 -0.26 0.00 0.00 58.87 58.36 1aof n SER 352 Cb 0.34 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1aof n SER 352 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aof n HIS 353 N -1.15 0.00 -0.05 7.33 8.25 -0.41 -4.88 115.22 124.31 1aof n HIS 353 Ca 0.14 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.45 1aof n HIS 353 Cb 0.26 -1.74 -0.14 0.00 1.12 0.00 0.00 29.99 29.49 1aof n HIS 353 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1aof n ARG 354 N -1.41 0.69 -4.37 -0.41 0.63 -1.26 -4.49 116.66 106.04 1aof n ARG 354 Ca -0.06 0.20 -0.34 0.00 -0.92 0.00 0.00 57.85 56.73 1aof n ARG 354 Cb 0.36 -1.66 -0.10 0.00 0.45 0.00 0.00 32.46 31.51 1aof n ARG 354 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1aof s TYR 355 N -2.55 3.11 -0.25 -0.14 2.02 -1.26 -1.00 117.35 117.28 1aof s TYR 355 Ca -0.18 0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 56.46 1aof s TYR 355 Cb 0.07 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 1aof s TYR 355 CO 0.76 0.29 0.16 0.12 -1.57 0.00 0.00 175.55 175.32 1aof s PHE 356 N -0.42 3.29 -0.20 2.71 5.36 0.28 -1.22 117.98 127.78 1aof s PHE 356 Ca 0.08 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1aof s PHE 356 Cb -0.12 -2.29 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 1aof s PHE 356 CO 0.02 0.01 -0.13 0.42 -1.46 0.00 0.00 175.22 174.08 1aof s ILE 357 N 1.21 2.64 0.05 3.12 1.01 0.10 -0.55 121.20 128.78 1aof s ILE 357 Ca 0.07 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1aof s ILE 357 Cb -0.14 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1aof s ILE 357 CO 0.06 0.47 -0.12 0.28 0.00 0.00 0.00 174.94 175.63 1aof s THR 358 N 1.37 0.90 -0.16 2.92 -1.32 0.15 -1.17 115.64 118.33 1aof s THR 358 Ca 0.05 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.26 1aof s THR 358 Cb -0.14 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1aof s THR 358 CO -0.09 -0.18 0.54 0.00 -2.21 0.00 0.00 174.62 172.68 1aof s ALA 359 N -1.10 3.50 -1.11 11.08 0.00 -0.40 -0.02 121.76 133.72 1aof s ALA 359 Ca -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 1aof s ALA 359 Cb -0.09 -2.80 0.28 0.00 0.00 0.00 0.00 23.12 20.51 1aof s ALA 359 CO 0.01 -0.29 1.13 0.00 0.00 0.00 0.00 175.76 176.61 1aof n ALA 360 N 4.39 4.29 -0.25 0.00 0.00 0.18 -0.85 120.51 128.27 1aof n ALA 360 Ca -0.05 -4.68 0.06 0.00 0.00 0.00 0.00 53.44 48.77 1aof n ALA 360 Cb 0.51 -2.41 0.19 0.00 0.00 0.00 0.00 19.45 17.73 1aof n ALA 360 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1aof h ASN 361 N 6.51 0.17 0.77 0.00 7.08 -1.69 -1.82 115.58 126.60 1aof h ASN 361 Ca 0.18 0.13 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 1aof h ASN 361 Cb 0.85 0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.22 1aof h ASN 361 CO 1.04 0.04 0.00 0.00 -2.08 0.00 0.00 177.43 176.42 1aof h ALA 362 N 1.58 1.00 -0.39 4.14 0.00 -1.85 -2.76 119.26 120.99 1aof h ALA 362 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1aof h ALA 362 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1aof h ALA 362 CO -0.45 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.34 1aof n ARG 363 N -2.98 2.73 -3.26 0.00 1.74 -0.74 -4.96 116.66 109.19 1aof n ARG 363 Ca 0.00 -2.10 -0.23 0.00 -0.77 0.00 0.00 57.85 54.75 1aof n ARG 363 Cb 0.25 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1aof n ARG 363 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aof n ASN 364 N 0.70 -4.78 -4.45 0.55 3.02 -0.89 -4.98 115.26 104.42 1aof n ASN 364 Ca 0.13 -0.37 -0.29 0.00 -0.03 0.00 0.00 54.58 54.03 1aof n ASN 364 Cb 0.45 -3.90 -0.12 0.00 -0.61 0.00 0.00 39.78 35.60 1aof n ASN 364 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1aof s LYS 365 N -5.93 1.61 -0.12 3.52 3.01 -1.09 -1.88 119.74 118.87 1aof s LYS 365 Ca 0.38 -1.30 0.00 0.00 -1.01 0.00 0.00 55.97 54.04 1aof s LYS 365 Cb -0.19 -2.00 -0.02 0.00 -1.01 0.00 0.00 37.83 34.62 1aof s LYS 365 CO 0.47 0.46 -0.12 -0.51 0.51 0.00 0.00 175.35 176.15 1aof s LEU 366 N -2.22 2.77 -0.13 3.17 1.43 0.79 -0.65 118.68 123.84 1aof s LEU 366 Ca 0.17 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1aof s LEU 366 Cb -0.10 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1aof s LEU 366 CO 0.09 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 176.10 1aof s VAL 367 N 0.17 3.54 -0.16 -1.59 1.01 0.98 -0.76 120.40 123.58 1aof s VAL 367 Ca -0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1aof s VAL 367 Cb -0.15 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1aof s VAL 367 CO 0.05 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 1aof s VAL 368 N 0.21 3.29 -0.05 2.92 1.01 0.41 -0.67 120.40 127.53 1aof s VAL 368 Ca -0.05 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1aof s VAL 368 Cb -0.14 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1aof s VAL 368 CO 0.04 0.49 -0.24 -0.63 0.00 0.00 0.00 175.10 174.76 1aof s ILE 369 N 0.65 2.15 -0.42 2.22 -1.09 0.29 -0.24 121.20 124.77 1aof s ILE 369 Ca -0.05 -1.05 -0.19 0.00 -2.23 0.00 0.00 60.65 57.13 1aof s ILE 369 Cb -0.15 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1aof s ILE 369 CO 0.02 0.57 0.53 -0.62 -1.23 0.00 0.00 174.94 174.22 1aof s ASP 370 N -0.34 6.26 0.27 3.58 -1.08 -0.35 -0.56 116.67 124.45 1aof s ASP 370 Ca 0.02 -0.44 0.26 0.00 -0.52 0.00 0.00 52.55 51.86 1aof s ASP 370 Cb -0.12 -2.27 0.83 0.00 -1.46 0.00 0.00 42.92 39.90 1aof s ASP 370 CO 0.02 -0.65 1.75 0.71 0.52 0.00 0.00 175.17 177.53 1aof h THR 371 N 5.77 0.00 0.05 1.71 1.35 -1.38 0.20 112.91 120.61 1aof h THR 371 Ca -0.26 -0.48 -0.12 0.00 -0.55 0.00 0.00 66.41 65.00 1aof h THR 371 Cb 1.11 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1aof h THR 371 CO 0.83 0.00 -0.50 0.50 -0.25 0.00 0.00 175.52 176.10 1aof h LYS 372 N 0.00 0.25 0.00 4.72 3.64 -1.92 -3.35 116.57 119.91 1aof h LYS 372 Ca 0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1aof h LYS 372 Cb 0.66 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1aof h LYS 372 CO 0.00 1.09 -0.84 0.39 -2.27 0.00 0.00 179.45 177.82 1aof n GLU 373 N -4.32 0.26 -3.04 1.90 -0.58 -1.21 -4.99 120.64 108.66 1aof n GLU 373 Ca -0.11 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 1aof n GLU 373 Cb 0.65 -1.61 0.06 0.00 -0.57 0.00 0.00 31.44 29.97 1aof n GLU 373 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aof n GLY 374 N 1.37 -0.12 3.11 0.62 0.00 0.67 -5.05 105.19 105.80 1aof n GLY 374 Ca 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1aof n GLY 374 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aof s LYS 375 N -5.10 0.61 0.20 1.61 1.02 -1.09 -4.99 119.74 112.00 1aof s LYS 375 Ca 0.06 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 1aof s LYS 375 Cb -0.03 0.23 -0.08 0.00 -0.52 0.00 0.00 37.83 37.44 1aof s LYS 375 CO 0.51 -0.15 1.18 -1.17 -0.92 0.00 0.00 175.35 174.80 1aof s LEU 376 N -2.39 4.46 -0.19 3.17 2.96 -1.26 -1.21 118.68 124.23 1aof s LEU 376 Ca -0.01 2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 56.10 1aof s LEU 376 Cb 0.01 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 1aof s LEU 376 CO -0.07 -0.34 -0.20 0.52 -1.32 0.00 0.00 176.35 174.94 1aof n VAL 377 N 2.33 1.05 -3.48 1.68 0.31 0.67 -4.88 118.33 116.01 1aof n VAL 377 Ca 0.04 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.93 1aof n VAL 377 Cb 0.45 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 1aof n VAL 377 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aof s ALA 378 N -2.36 -1.75 -0.14 3.52 0.00 -1.11 -4.99 121.76 114.94 1aof s ALA 378 Ca -0.26 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1aof s ALA 378 Cb 0.08 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.79 1aof s ALA 378 CO 0.38 -0.70 0.03 0.42 0.00 0.00 0.00 175.76 175.90 1aof s ILE 379 N -3.25 0.33 -0.01 0.00 1.01 -1.26 -0.44 121.20 117.58 1aof s ILE 379 Ca 0.03 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.55 1aof s ILE 379 Cb -0.01 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 1aof s ILE 379 CO -0.10 -0.04 -0.21 -1.61 0.00 0.00 0.00 174.94 172.99 1aof s GLU 380 N 1.97 1.67 0.09 2.79 0.41 0.06 -4.94 118.70 120.75 1aof s GLU 380 Ca 0.02 -0.77 -0.29 0.00 -0.41 0.00 0.00 54.97 53.52 1aof s GLU 380 Cb -0.15 -1.63 -0.06 0.00 -1.78 0.00 0.00 34.13 30.51 1aof s GLU 380 CO -0.07 0.45 0.91 0.34 -0.49 0.00 0.00 175.26 176.40 1aof s ASP 381 N -0.56 7.42 0.36 -0.19 -1.08 -1.26 -0.15 116.67 121.21 1aof s ASP 381 Ca 0.08 1.70 0.19 0.00 -0.52 0.00 0.00 52.55 54.00 1aof s ASP 381 Cb -0.08 -2.56 0.22 0.00 -1.46 0.00 0.00 42.92 39.04 1aof s ASP 381 CO -0.01 -0.05 1.53 0.71 0.52 0.00 0.00 175.17 177.88 1aof h THR 382 N 4.08 0.45 0.00 1.71 1.35 -1.74 -3.47 112.91 115.29 1aof h THR 382 Ca -0.43 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1aof h THR 382 Cb 1.21 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1aof h THR 382 CO 0.72 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1aof n GLY 383 N 1.14 0.89 3.86 5.82 0.00 -1.26 -4.92 105.19 110.72 1aof n GLY 383 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1aof n GLY 383 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aof s GLY 384 N -1.60 2.55 -0.29 -0.02 0.00 -1.26 -5.10 107.32 101.60 1aof s GLY 384 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 1aof s GLY 384 CO 0.00 -2.01 0.09 1.20 0.00 0.00 0.00 173.10 172.38 1aof s GLN 385 N -4.17 3.23 -0.59 2.90 -1.52 -1.26 -4.77 119.66 113.47 1aof s GLN 385 Ca 0.26 -0.77 -0.02 0.00 -1.95 0.00 0.00 55.36 52.89 1aof s GLN 385 Cb -0.01 -3.38 0.00 0.00 -0.22 0.00 0.00 33.01 29.40 1aof s GLN 385 CO 0.16 -0.39 0.59 2.41 -0.25 0.00 0.00 175.29 177.81 1aof n THR 386 N 4.89 -9.08 -1.97 -0.19 -1.04 -1.25 -0.33 114.28 105.31 1aof n THR 386 Ca -0.15 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.41 1aof n THR 386 Cb 0.49 -6.53 -0.01 0.00 -1.82 0.00 0.00 70.33 62.45 1aof n THR 386 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aof s PRO 387 N -2.90 4.24 -0.37 -2.82 0.04 -1.26 -1.24 135.00 130.69 1aof s PRO 387 Ca 0.04 2.38 0.02 0.00 0.04 0.00 0.00 61.00 63.48 1aof s PRO 387 Cb -0.01 -3.03 0.15 0.00 0.04 0.00 0.00 34.50 31.65 1aof s PRO 387 CO 0.65 -0.36 0.32 -1.58 0.04 0.00 0.00 177.00 176.07 1aof s HIS 388 N -1.03 0.25 -0.32 0.56 2.46 -0.74 -4.53 115.29 111.94 1aof s HIS 388 Ca 0.52 -1.35 0.20 0.00 0.47 0.00 0.00 55.06 54.90 1aof s HIS 388 Cb -0.43 -0.65 0.21 0.00 -0.13 0.00 0.00 32.58 31.58 1aof s HIS 388 CO 0.56 -0.91 1.48 -1.00 -2.47 0.00 0.00 174.74 172.41 1aof h PRO 389 N 6.75 0.00 0.00 2.88 0.13 -1.78 -3.39 132.00 136.58 1aof h PRO 389 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1aof h PRO 389 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1aof h PRO 389 CO 0.24 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1aof n GLY 390 N 1.16 1.16 0.44 1.56 0.00 -1.26 -0.84 105.19 107.40 1aof n GLY 390 Ca 0.03 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1aof n GLY 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aof n ARG 391 N 12.54 1.40 0.00 1.61 1.74 -1.26 -2.07 116.66 130.62 1aof n ARG 391 Ca 0.00 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1aof n ARG 391 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1aof n ARG 391 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aof n GLY 392 N 1.26 -2.16 2.72 -0.13 0.00 -0.02 -3.55 105.19 103.30 1aof n GLY 392 Ca 0.16 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 1aof n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aof s ALA 393 N -1.09 0.43 -0.15 4.61 0.00 -1.09 -4.77 121.76 119.70 1aof s ALA 393 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 1aof s ALA 393 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1aof s ALA 393 CO 0.00 -0.46 0.11 -0.80 0.00 0.00 0.00 175.76 174.61 1aof s ASN 394 N 2.05 6.11 0.23 0.00 0.01 0.17 -0.56 114.94 122.94 1aof s ASN 394 Ca 0.04 0.31 -0.22 0.00 -0.71 0.00 0.00 52.86 52.28 1aof s ASN 394 Cb -0.12 -2.00 0.04 0.00 0.41 0.00 0.00 41.25 39.58 1aof s ASN 394 CO -0.04 0.30 0.66 0.72 -1.51 0.00 0.00 177.10 177.24 1aof s PHE 395 N -0.38 -0.34 -0.40 2.20 -0.71 -0.81 -4.77 117.98 112.78 1aof s PHE 395 Ca 0.11 -0.01 -0.14 0.00 -1.04 0.00 0.00 56.93 55.85 1aof s PHE 395 Cb -0.12 0.64 0.02 0.00 -1.21 0.00 0.00 43.02 42.35 1aof s PHE 395 CO 0.01 -1.07 0.27 0.08 -1.34 0.00 0.00 175.22 173.17 1aof s VAL 396 N -3.85 5.02 0.17 -2.49 1.01 -1.26 -0.95 120.40 118.06 1aof s VAL 396 Ca 0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1aof s VAL 396 Cb -0.04 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1aof s VAL 396 CO -0.02 -0.28 1.23 -2.28 0.00 0.00 0.00 175.10 173.75 1aof s HIS 397 N 1.64 3.39 0.31 5.22 2.46 0.29 -4.90 115.29 123.70 1aof s HIS 397 Ca 0.04 1.35 0.08 0.00 0.47 0.00 0.00 55.06 57.00 1aof s HIS 397 Cb -0.19 -3.47 0.89 0.00 -0.13 0.00 0.00 32.58 29.68 1aof s HIS 397 CO 0.09 -1.39 1.66 -1.35 -2.47 0.00 0.00 174.74 171.28 1aof h PRO 398 N 5.52 0.29 0.00 2.88 0.11 -1.80 -1.07 132.00 137.93 1aof h PRO 398 Ca -0.44 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 1aof h PRO 398 Cb 1.21 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1aof h PRO 398 CO 0.76 0.19 -2.04 0.25 -0.21 0.00 0.00 178.00 176.96 1aof n THR 399 N -5.12 1.04 0.11 -1.15 -2.24 -1.26 -4.66 114.28 101.01 1aof n THR 399 Ca 0.26 -0.55 0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1aof n THR 399 Cb 0.82 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1aof n THR 399 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1aof h PHE 400 N 0.00 0.00 0.00 4.78 0.04 -1.89 -3.51 116.94 116.36 1aof h PHE 400 Ca -0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1aof h PHE 400 Cb 1.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.97 1aof h PHE 400 CO 0.01 0.41 0.00 0.41 -0.60 0.00 0.00 178.31 178.53 1aof n GLY 401 N 1.25 -1.44 3.69 -1.45 0.00 -0.41 -4.92 105.19 101.91 1aof n GLY 401 Ca -0.01 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.85 1aof n GLY 401 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aof n PRO 402 N 0.00 2.41 -4.12 1.61 -0.02 -1.26 -0.55 135.00 133.07 1aof n PRO 402 Ca 0.00 0.87 -0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1aof n PRO 402 Cb 0.00 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 30.69 1aof n PRO 402 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1aof s VAL 403 N 1.57 0.21 -0.03 -1.45 -7.23 -0.12 -1.65 120.40 111.70 1aof s VAL 403 Ca 0.80 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.15 1aof s VAL 403 Cb -0.61 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1aof s VAL 403 CO 0.38 -0.75 -0.18 0.86 -0.31 0.00 0.00 175.10 175.10 1aof s TRP 404 N -3.95 1.66 0.20 2.82 -0.00 -0.46 -1.93 118.94 117.27 1aof s TRP 404 Ca 0.15 -0.38 0.11 0.00 -0.00 0.00 0.00 56.10 55.98 1aof s TRP 404 Cb 0.08 -1.09 -0.04 0.00 -0.00 0.00 0.00 33.47 32.41 1aof s TRP 404 CO -0.04 -0.08 -0.23 0.00 -0.00 0.00 0.00 176.95 176.60 1aof s ALA 405 N -0.23 2.47 -0.03 5.86 0.00 0.27 -1.23 121.76 128.86 1aof s ALA 405 Ca 0.03 -1.64 -0.08 0.00 0.00 0.00 0.00 51.96 50.26 1aof s ALA 405 Cb -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1aof s ALA 405 CO 0.00 0.38 0.19 -0.08 0.00 0.00 0.00 175.76 176.26 1aof s THR 406 N -1.84 0.05 0.58 0.00 -1.32 -0.92 -2.66 115.64 109.53 1aof s THR 406 Ca 0.21 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.38 1aof s THR 406 Cb -0.07 -0.41 0.08 0.00 -1.51 0.00 0.00 72.50 70.59 1aof s THR 406 CO 0.10 -0.21 0.68 -0.94 -2.21 0.00 0.00 174.62 172.03 1aof s SER 407 N -0.79 4.90 0.07 8.08 1.04 -1.26 -1.46 113.70 124.28 1aof s SER 407 Ca -0.09 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.38 1aof s SER 407 Cb -0.05 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1aof s SER 407 CO 0.01 -1.31 -0.15 -1.00 0.98 0.00 0.00 173.24 171.77 1aof s HIS 408 N -2.73 1.31 0.04 5.02 3.76 -1.17 -1.80 115.29 119.72 1aof s HIS 408 Ca 0.52 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.92 1aof s HIS 408 Cb -0.04 -0.74 -0.30 0.00 1.11 0.00 0.00 32.58 32.61 1aof s HIS 408 CO 0.33 0.08 1.02 0.52 -0.85 0.00 0.00 174.74 175.84 1aof h MET 409 N 4.32 0.33 0.00 1.40 2.86 -1.18 -2.79 114.93 119.86 1aof h MET 409 Ca -0.41 -0.57 -0.02 0.00 -2.06 0.00 0.00 59.70 56.64 1aof h MET 409 Cb 1.19 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 1aof h MET 409 CO 0.40 1.25 -0.08 0.78 1.06 0.00 0.00 176.91 180.32 1aof h GLY 410 N 1.25 0.00 -1.39 8.32 0.00 -0.82 -0.06 103.07 110.37 1aof h GLY 410 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 1aof h GLY 410 CO 0.21 0.00 -0.04 0.51 0.00 0.00 0.00 176.54 177.22 1aof s ASP 411 N -6.18 0.77 0.00 0.19 1.47 -1.24 -4.81 116.67 106.87 1aof s ASP 411 Ca 0.06 -1.46 0.12 0.00 1.18 0.00 0.00 52.55 52.45 1aof s ASP 411 Cb 0.06 0.74 0.39 0.00 -0.34 0.00 0.00 42.92 43.77 1aof s ASP 411 CO 0.66 -1.46 1.30 -0.90 0.68 0.00 0.00 175.17 175.45 1aof n ASP 412 N -1.58 1.48 -4.81 2.11 5.75 -1.26 -4.19 116.55 114.05 1aof n ASP 412 Ca -0.02 -1.92 -0.34 0.00 -0.01 0.00 0.00 54.79 52.51 1aof n ASP 412 Cb 0.61 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.48 1aof n ASP 412 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1aof s SER 413 N -1.13 6.75 -0.10 -1.12 1.04 -1.26 -0.55 113.70 117.33 1aof s SER 413 Ca 0.22 1.80 0.02 0.00 0.48 0.00 0.00 55.95 58.47 1aof s SER 413 Cb 0.11 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.69 1aof s SER 413 CO 0.16 -0.49 -0.17 -0.69 0.98 0.00 0.00 173.24 173.03 1aof s VAL 414 N -2.06 1.58 0.01 5.02 1.01 0.47 -3.04 120.40 123.39 1aof s VAL 414 Ca 0.63 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1aof s VAL 414 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1aof s VAL 414 CO 0.17 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.52 1aof s ALA 415 N 0.76 2.45 -0.08 5.51 0.00 -0.54 -1.42 121.76 128.44 1aof s ALA 415 Ca -0.11 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1aof s ALA 415 Cb -0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1aof s ALA 415 CO 0.02 0.55 -0.13 -0.51 0.00 0.00 0.00 175.76 175.69 1aof s LEU 416 N -1.04 2.74 -0.07 0.00 1.43 -0.50 -2.17 118.68 119.07 1aof s LEU 416 Ca 0.12 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1aof s LEU 416 Cb -0.10 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 1aof s LEU 416 CO 0.02 0.27 -0.22 -0.51 0.23 0.00 0.00 176.35 176.14 1aof s ILE 417 N -0.29 1.88 0.21 -0.59 2.07 -0.37 -0.62 121.20 123.49 1aof s ILE 417 Ca 0.02 -0.94 -0.30 0.00 -1.41 0.00 0.00 60.65 58.02 1aof s ILE 417 Cb -0.13 -1.61 -0.09 0.00 0.13 0.00 0.00 42.46 40.76 1aof s ILE 417 CO 0.03 0.52 1.30 -0.83 -1.91 0.00 0.00 174.94 174.05 1aof s GLY 418 N 0.16 2.52 -0.16 1.50 0.00 -0.99 -1.36 107.32 108.99 1aof s GLY 418 Ca -0.11 1.10 0.14 0.00 0.00 0.00 0.00 44.72 45.86 1aof s GLY 418 CO 0.06 2.03 1.18 -1.30 0.00 0.00 0.00 173.10 175.07 1aof n THR 419 N 2.46 1.87 -3.63 0.90 -2.24 -0.66 -0.42 114.28 112.56 1aof n THR 419 Ca 0.05 -2.62 -0.27 0.00 -2.27 0.00 0.00 64.05 58.94 1aof n THR 419 Cb 0.43 -0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 1aof n THR 419 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1aof n ASP 420 N -1.10 1.95 -0.28 3.42 2.03 -1.26 -4.95 116.55 116.37 1aof n ASP 420 Ca 0.16 -2.98 0.09 0.00 0.52 0.00 0.00 54.79 52.59 1aof n ASP 420 Cb 0.70 -0.68 0.33 0.00 -0.72 0.00 0.00 41.12 40.76 1aof n ASP 420 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1aof h PRO 421 N 5.14 0.77 0.05 -0.67 0.11 -1.91 -0.03 132.00 135.46 1aof h PRO 421 Ca 0.18 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 1aof h PRO 421 Cb 0.79 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.73 1aof h PRO 421 CO 0.62 0.51 -0.35 0.93 -0.21 0.00 0.00 178.00 179.50 1aof h GLU 422 N 0.79 0.11 0.07 1.05 5.08 -1.96 -3.25 114.58 116.49 1aof h GLU 422 Ca 0.43 -0.19 -0.27 0.00 -1.00 0.00 0.00 59.36 58.32 1aof h GLU 422 Cb 0.55 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1aof h GLU 422 CO -0.19 1.09 -1.36 0.78 -1.00 0.00 0.00 179.01 178.33 1aof h GLY 423 N -0.75 0.18 -5.92 -3.84 0.00 -1.97 -3.39 103.07 87.38 1aof h GLY 423 Ca -0.06 -0.45 -0.55 0.00 0.00 0.00 0.00 47.33 46.27 1aof h GLY 423 CO 0.05 0.39 -0.97 1.42 0.00 0.00 0.00 176.54 177.43 1aof n HIS 424 N -3.39 1.23 -0.19 5.60 8.25 -0.03 -4.98 115.22 121.71 1aof n HIS 424 Ca -0.11 -3.82 0.19 0.00 -0.26 0.00 0.00 57.72 53.73 1aof n HIS 424 Cb 1.01 -0.43 0.55 0.00 1.12 0.00 0.00 29.99 32.24 1aof n HIS 424 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aof h PRO 425 N 3.56 0.31 0.00 -0.41 0.13 -1.59 -1.33 132.00 132.68 1aof h PRO 425 Ca 0.11 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1aof h PRO 425 Cb 0.81 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1aof h PRO 425 CO 0.60 0.21 -0.23 -0.44 -0.23 0.00 0.00 178.00 177.91 1aof h ASP 426 N 0.32 0.00 0.22 1.44 5.19 -1.90 -3.12 116.42 118.58 1aof h ASP 426 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1aof h ASP 426 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1aof h ASP 426 CO -0.12 0.23 -1.12 0.59 -3.12 0.00 0.00 179.24 175.70 1aof n ASN 427 N -3.40 0.65 -4.68 6.45 3.02 -0.54 -4.93 115.26 111.84 1aof n ASN 427 Ca 0.00 -0.46 -0.46 0.00 -0.03 0.00 0.00 54.58 53.64 1aof n ASN 427 Cb 0.43 1.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.56 1aof n ASN 427 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aof n ALA 428 N -1.75 1.40 -2.61 5.41 0.00 -0.98 -2.81 120.51 119.18 1aof n ALA 428 Ca 0.02 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 1aof n ALA 428 Cb 0.41 -2.52 0.01 0.00 0.00 0.00 0.00 19.45 17.35 1aof n ALA 428 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1aof n TRP 429 N 5.84 -1.32 -4.68 0.00 5.03 0.43 -4.90 117.44 117.83 1aof n TRP 429 Ca 0.20 0.18 -0.28 0.00 3.03 0.00 0.00 57.50 60.63 1aof n TRP 429 Cb 0.33 -4.13 -0.14 0.00 -1.03 0.00 0.00 31.31 26.34 1aof n TRP 429 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1aof s LYS 430 N -5.26 1.56 -0.54 -0.99 -0.14 -1.12 -4.90 119.74 108.34 1aof s LYS 430 Ca 0.11 -1.12 -0.28 0.00 -1.36 0.00 0.00 55.97 53.32 1aof s LYS 430 Cb -0.05 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.34 1aof s LYS 430 CO 0.13 0.45 1.26 0.42 -0.76 0.00 0.00 175.35 176.85 1aof s ILE 431 N -0.88 3.98 0.12 2.17 -1.09 -1.26 -2.35 121.20 121.89 1aof s ILE 431 Ca 0.11 0.91 0.05 0.00 -2.23 0.00 0.00 60.65 59.48 1aof s ILE 431 Cb -0.10 -4.59 -0.22 0.00 -1.58 0.00 0.00 42.46 35.97 1aof s ILE 431 CO 0.03 -1.19 1.27 -0.07 -1.23 0.00 0.00 174.94 173.74 1aof h LEU 432 N 12.10 0.09 -7.12 2.97 3.38 -1.21 -3.48 115.31 122.04 1aof h LEU 432 Ca -0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1aof h LEU 432 Cb 1.07 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 1aof h LEU 432 CO 1.17 1.06 0.11 -0.62 0.09 0.00 0.00 178.44 180.24 1aof s ASP 433 N -6.81 -0.50 -0.13 -0.43 -1.08 -1.25 -5.01 116.67 101.48 1aof s ASP 433 Ca -0.00 0.16 -0.06 0.00 -0.52 0.00 0.00 52.55 52.13 1aof s ASP 433 Cb 0.10 0.53 0.06 0.00 -1.46 0.00 0.00 42.92 42.14 1aof s ASP 433 CO 0.83 -0.79 0.28 -0.55 0.52 0.00 0.00 175.17 175.46 1aof s SER 434 N -2.16 -0.13 0.03 -0.34 0.15 -1.26 -1.41 113.70 108.59 1aof s SER 434 Ca -0.04 0.62 -0.12 0.00 0.70 0.00 0.00 55.95 57.12 1aof s SER 434 Cb -0.00 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1aof s SER 434 CO -0.04 -0.19 0.26 0.72 1.20 0.00 0.00 173.24 175.19 1aof s PHE 435 N 1.68 -0.05 0.46 3.44 -0.12 -0.51 -4.93 117.98 117.95 1aof s PHE 435 Ca -0.06 -0.08 -0.20 0.00 -0.05 0.00 0.00 56.93 56.53 1aof s PHE 435 Cb -0.11 0.05 -0.09 0.00 -0.63 0.00 0.00 43.02 42.24 1aof s PHE 435 CO -0.09 -0.46 0.99 -1.25 -0.05 0.00 0.00 175.22 174.36 1aof s PRO 436 N -2.38 4.00 0.00 1.99 0.04 -1.26 -0.39 135.00 136.99 1aof s PRO 436 Ca -0.06 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1aof s PRO 436 Cb -0.02 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1aof s PRO 436 CO -0.03 -0.24 0.00 0.00 0.04 0.00 0.00 177.00 176.77 1aof n ALA 437 N -0.89 0.00 -0.12 8.56 0.00 0.29 -4.90 120.51 123.45 1aof n ALA 437 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 1aof n ALA 437 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 1aof n ALA 437 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1aof h LEU 438 N 0.00 0.33 0.00 0.00 3.38 -1.89 -3.49 115.31 113.64 1aof h LEU 438 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1aof h LEU 438 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1aof h LEU 438 CO 0.00 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1aof n GLY 439 N -1.21 -1.81 3.68 0.83 0.00 -1.26 -5.05 105.19 100.36 1aof n GLY 439 Ca 0.01 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1aof n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aof s GLY 440 N 0.00 1.59 0.00 -0.02 0.00 -1.26 -4.18 107.32 103.45 1aof s GLY 440 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1aof s GLY 440 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1aof n GLY 441 N -1.00 0.77 3.78 0.20 0.00 -0.03 -3.82 105.19 105.09 1aof n GLY 441 Ca 0.06 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1aof n GLY 441 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aof s SER 442 N -2.13 6.59 0.00 1.61 0.15 -1.05 -0.87 113.70 118.00 1aof s SER 442 Ca 0.00 2.17 0.00 0.00 0.70 0.00 0.00 55.95 58.82 1aof s SER 442 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1aof s SER 442 CO 0.00 -0.62 0.00 0.18 1.20 0.00 0.00 173.24 174.00 1aof n LEU 443 N -0.10 1.19 -3.93 3.45 4.77 -1.26 -3.38 117.00 117.73 1aof n LEU 443 Ca 0.05 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 1aof n LEU 443 Cb 0.48 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1aof n LEU 443 CO 0.47 0.20 -0.39 -0.36 -1.33 0.00 0.00 177.39 175.98 1aof s PHE 444 N -1.85 0.34 0.03 -1.77 0.08 -1.26 -4.26 117.98 109.29 1aof s PHE 444 Ca 0.00 -0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.07 1aof s PHE 444 Cb 0.00 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.20 1aof s PHE 444 CO 0.00 -0.01 -0.25 -1.50 -0.10 0.00 0.00 175.22 173.36 1aof s ILE 445 N -0.08 2.23 -0.07 0.64 2.07 -1.26 -2.14 121.20 122.59 1aof s ILE 445 Ca 0.01 -1.31 -0.17 0.00 -1.41 0.00 0.00 60.65 57.77 1aof s ILE 445 Cb -0.02 -1.86 0.04 0.00 0.13 0.00 0.00 42.46 40.75 1aof s ILE 445 CO -0.00 0.40 0.41 -0.75 -1.91 0.00 0.00 174.94 173.09 1aof s LYS 446 N -1.15 0.67 0.38 3.50 2.47 0.88 -4.49 119.74 122.00 1aof s LYS 446 Ca 0.12 0.14 -0.09 0.00 -1.56 0.00 0.00 55.97 54.58 1aof s LYS 446 Cb -0.10 0.31 0.04 0.00 -1.46 0.00 0.00 37.83 36.61 1aof s LYS 446 CO 0.02 -0.16 0.66 -0.08 0.16 0.00 0.00 175.35 175.95 1aof s THR 447 N -0.78 0.00 -0.02 3.43 -1.32 -1.26 -0.38 115.64 115.31 1aof s THR 447 Ca -0.09 -1.26 -0.14 0.00 -1.21 0.00 0.00 61.69 58.99 1aof s THR 447 Cb -0.04 -2.84 0.02 0.00 -1.51 0.00 0.00 72.50 68.14 1aof s THR 447 CO 0.04 0.00 0.30 -2.28 -2.21 0.00 0.00 174.62 170.46 1aof s HIS 448 N -2.50 -0.17 0.54 9.09 2.46 -1.26 -4.75 115.29 118.71 1aof s HIS 448 Ca 0.22 0.25 0.26 0.00 0.47 0.00 0.00 55.06 56.26 1aof s HIS 448 Cb -0.03 0.09 1.44 0.00 -0.13 0.00 0.00 32.58 33.94 1aof s HIS 448 CO 0.16 -0.37 2.01 -1.35 -2.47 0.00 0.00 174.74 172.72 1aof h PRO 449 N 3.95 0.00 -0.01 2.88 0.11 -1.92 -0.07 132.00 136.94 1aof h PRO 449 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1aof h PRO 449 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aof h PRO 449 CO 0.40 0.00 -0.03 0.09 -0.21 0.00 0.00 178.00 178.25 1aof n ASN 450 N -4.24 1.27 -4.75 -2.05 3.02 -1.26 -4.90 115.26 102.36 1aof n ASN 450 Ca 0.08 -1.36 -0.27 0.00 -0.03 0.00 0.00 54.58 53.00 1aof n ASN 450 Cb 0.54 0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 1aof n ASN 450 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1aof s SER 451 N -2.06 5.25 0.00 6.41 0.15 -0.04 -4.95 113.70 118.45 1aof s SER 451 Ca 0.37 -0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.91 1aof s SER 451 Cb 0.21 -1.29 0.28 0.00 -1.71 0.00 0.00 66.02 63.51 1aof s SER 451 CO 0.36 0.08 1.22 0.00 1.20 0.00 0.00 173.24 176.11 1aof n GLN 452 N -0.20 2.77 -4.27 5.44 10.64 -1.26 -4.70 117.38 125.80 1aof n GLN 452 Ca -0.09 -1.98 -0.30 0.00 -1.83 0.00 0.00 57.00 52.80 1aof n GLN 452 Cb 0.55 -1.25 -0.10 0.00 -0.86 0.00 0.00 30.24 28.57 1aof n GLN 452 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1aof s TYR 453 N -0.99 2.72 -0.23 2.61 2.02 -1.26 -0.52 117.35 121.70 1aof s TYR 453 Ca 0.22 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 1aof s TYR 453 Cb 0.11 -1.44 0.05 0.00 -0.40 0.00 0.00 41.96 40.29 1aof s TYR 453 CO 0.15 0.41 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.25 1aof s LEU 454 N -2.13 2.93 -0.13 -1.29 2.96 -0.27 -4.52 118.68 116.23 1aof s LEU 454 Ca 0.21 -1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 52.83 1aof s LEU 454 Cb -0.11 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1aof s LEU 454 CO 0.13 -0.15 0.27 -0.31 -1.32 0.00 0.00 176.35 174.96 1aof s TYR 455 N 1.21 3.52 -0.07 5.38 1.51 0.49 -1.15 117.35 128.23 1aof s TYR 455 Ca -0.05 0.62 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 1aof s TYR 455 Cb -0.18 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1aof s TYR 455 CO -0.07 0.39 -0.04 0.08 -1.11 0.00 0.00 175.55 174.80 1aof s VAL 456 N -0.04 0.65 0.50 0.71 1.01 -0.15 -0.08 120.40 123.00 1aof s VAL 456 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1aof s VAL 456 Cb -0.13 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1aof s VAL 456 CO 0.05 0.28 0.68 -0.90 0.00 0.00 0.00 175.10 175.21 1aof n ASP 457 N 4.59 0.76 -2.70 3.32 5.68 -0.91 -1.06 116.55 126.22 1aof n ASP 457 Ca -0.16 -1.67 -0.05 0.00 -0.50 0.00 0.00 54.79 52.41 1aof n ASP 457 Cb 0.50 -0.45 0.10 0.00 -1.14 0.00 0.00 41.12 40.13 1aof n ASP 457 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aof n ALA 458 N -3.03 2.30 -0.32 2.12 0.00 -1.26 -4.36 120.51 115.95 1aof n ALA 458 Ca -0.11 -1.67 0.13 0.00 0.00 0.00 0.00 53.44 51.79 1aof n ALA 458 Cb 0.38 -0.92 0.27 0.00 0.00 0.00 0.00 19.45 19.18 1aof n ALA 458 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1aof h THR 459 N 3.30 0.10 -0.42 0.00 2.02 -1.60 -1.48 112.91 114.82 1aof h THR 459 Ca -0.29 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1aof h THR 459 Cb 1.28 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1aof h THR 459 CO 0.01 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1aof n LEU 460 N -5.44 2.41 -4.76 2.58 4.77 -0.04 -4.76 117.00 111.76 1aof n LEU 460 Ca 0.21 -1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 1aof n LEU 460 Cb 0.70 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1aof n LEU 460 CO -0.04 0.59 1.02 0.21 -1.33 0.00 0.00 177.39 177.84 1aof s ASN 461 N -1.11 6.72 0.37 -1.43 3.84 -0.56 -4.74 114.94 118.03 1aof s ASN 461 Ca 0.32 2.69 0.12 0.00 0.21 0.00 0.00 52.86 56.19 1aof s ASN 461 Cb 0.17 -2.64 0.72 0.00 -0.55 0.00 0.00 41.25 38.94 1aof s ASN 461 CO 0.22 -0.60 1.84 1.55 -2.79 0.00 0.00 177.10 177.32 1aof h PRO 462 N 3.85 0.06 -6.12 0.43 0.13 -1.90 -3.41 132.00 125.05 1aof h PRO 462 Ca -0.48 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 1aof h PRO 462 Cb 1.22 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1aof h PRO 462 CO 0.69 0.39 0.82 -2.00 -0.23 0.00 0.00 178.00 177.67 1aof s GLU 463 N -4.29 4.23 0.33 0.86 2.12 -1.26 -4.93 118.70 115.75 1aof s GLU 463 Ca -0.03 1.37 0.07 0.00 0.36 0.00 0.00 54.97 56.74 1aof s GLU 463 Cb 0.14 -3.67 0.76 0.00 0.26 0.00 0.00 34.13 31.62 1aof s GLU 463 CO 0.73 -0.68 1.83 0.00 -0.54 0.00 0.00 175.26 176.60 1aof h ALA 464 N 7.66 1.75 -0.14 6.30 0.00 -1.96 -0.55 119.26 132.33 1aof h ALA 464 Ca -0.20 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1aof h ALA 464 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1aof h ALA 464 CO 0.99 -0.04 -0.14 1.49 0.00 0.00 0.00 179.25 181.54 1aof h GLU 465 N 0.76 0.21 0.00 0.00 4.81 -1.96 -2.04 114.58 116.36 1aof h GLU 465 Ca 0.50 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1aof h GLU 465 Cb 0.77 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1aof h GLU 465 CO -0.27 0.36 -0.30 0.82 -0.73 0.00 0.00 179.01 178.90 1aof h ILE 466 N 0.20 1.37 0.00 2.32 2.04 -1.54 -3.28 117.51 118.63 1aof h ILE 466 Ca 0.04 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1aof h ILE 466 Cb 0.38 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1aof h ILE 466 CO 0.02 0.46 0.00 0.77 0.00 0.00 0.00 178.15 179.41 1aof h SER 467 N -1.00 0.00 -0.59 1.72 4.64 -1.22 -0.08 113.55 117.02 1aof h SER 467 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1aof h SER 467 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1aof h SER 467 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1aof n GLY 468 N -0.90 1.97 3.54 -0.77 0.00 -0.77 -0.96 105.19 107.30 1aof n GLY 468 Ca -0.02 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1aof n GLY 468 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aof s SER 469 N -1.13 3.08 0.00 1.61 0.01 -0.05 -1.44 113.70 115.79 1aof s SER 469 Ca 0.43 -1.43 0.01 0.00 1.31 0.00 0.00 55.95 56.27 1aof s SER 469 Cb 0.23 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.37 1aof s SER 469 CO 0.31 -0.61 -0.03 -0.69 0.41 0.00 0.00 173.24 172.63 1aof s VAL 470 N -3.05 0.22 -0.09 3.43 1.01 -0.73 -4.20 120.40 116.98 1aof s VAL 470 Ca 0.32 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1aof s VAL 470 Cb 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1aof s VAL 470 CO 0.15 -0.04 0.24 0.00 0.00 0.00 0.00 175.10 175.45 1aof s ALA 471 N -0.31 3.79 -0.11 5.51 0.00 -0.23 -0.68 121.76 129.73 1aof s ALA 471 Ca -0.02 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1aof s ALA 471 Cb -0.03 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1aof s ALA 471 CO -0.00 0.52 -0.11 0.08 0.00 0.00 0.00 175.76 176.24 1aof s VAL 472 N -0.88 1.26 -0.07 0.00 1.01 0.53 -0.98 120.40 121.27 1aof s VAL 472 Ca 0.18 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1aof s VAL 472 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1aof s VAL 472 CO 0.07 0.40 0.05 -0.36 0.00 0.00 0.00 175.10 175.25 1aof s PHE 473 N 1.30 3.27 -0.42 5.22 0.40 -0.30 -0.89 117.98 126.55 1aof s PHE 473 Ca -0.01 0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.36 1aof s PHE 473 Cb -0.14 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.61 1aof s PHE 473 CO -0.05 0.54 0.65 0.34 0.70 0.00 0.00 175.22 177.40 1aof s ASP 474 N -1.13 6.35 0.21 1.36 -1.08 -1.26 -1.12 116.67 120.00 1aof s ASP 474 Ca 0.16 -0.21 -0.08 0.00 -0.52 0.00 0.00 52.55 51.90 1aof s ASP 474 Cb -0.12 -2.32 0.16 0.00 -1.46 0.00 0.00 42.92 39.18 1aof s ASP 474 CO 0.06 -0.74 1.80 0.40 0.52 0.00 0.00 175.17 177.21 1aof h ILE 475 N 5.84 1.25 0.00 4.11 2.04 -1.16 -2.49 117.51 127.09 1aof h ILE 475 Ca -0.26 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1aof h ILE 475 Cb 1.10 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1aof h ILE 475 CO 0.88 0.30 -0.02 0.11 0.00 0.00 0.00 178.15 179.43 1aof h LYS 476 N 1.13 0.00 -0.01 2.37 1.57 -1.92 -1.53 116.57 118.18 1aof h LYS 476 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1aof h LYS 476 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1aof h LYS 476 CO -0.03 0.02 -0.21 0.00 -0.57 0.00 0.00 179.45 178.65 1aof n ALA 477 N -2.13 2.99 -1.76 3.86 0.00 -0.94 -4.92 120.51 117.61 1aof n ALA 477 Ca -0.02 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 1aof n ALA 477 Cb 0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 1aof n ALA 477 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1aof s MET 478 N -2.39 4.54 0.00 0.00 -1.94 -0.58 -4.94 119.30 113.99 1aof s MET 478 Ca 0.27 1.75 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 1aof s MET 478 Cb 0.20 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.98 1aof s MET 478 CO 0.48 0.13 0.00 0.25 -0.01 0.00 0.00 175.02 175.88 1aof n THR 479 N 0.93 0.00 -3.38 2.05 -2.24 -1.26 -4.55 114.28 105.83 1aof n THR 479 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1aof n THR 479 Cb 0.46 -0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1aof n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aof n GLY 480 N 2.29 -0.37 1.80 3.38 0.00 -1.26 -4.70 105.19 106.33 1aof n GLY 480 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1aof n GLY 480 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aof n ASP 481 N -2.39 5.47 0.00 1.61 5.75 -1.26 -4.91 116.55 120.82 1aof n ASP 481 Ca -0.01 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 1aof n ASP 481 Cb 0.56 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1aof n ASP 481 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aof n GLY 482 N 0.75 3.07 3.79 6.12 0.00 -1.26 -5.03 105.19 112.63 1aof n GLY 482 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1aof n GLY 482 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aof s SER 483 N -0.16 6.22 -0.21 1.61 1.04 -1.26 -5.00 113.70 115.93 1aof s SER 483 Ca 0.00 2.02 -0.24 0.00 0.48 0.00 0.00 55.95 58.21 1aof s SER 483 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1aof s SER 483 CO 0.00 -0.87 0.80 -1.81 0.98 0.00 0.00 173.24 172.34 1aof s ASP 484 N -1.85 6.85 0.33 7.02 1.01 -1.26 -4.81 116.67 123.96 1aof s ASP 484 Ca 0.68 1.05 -0.29 0.00 0.71 0.00 0.00 52.55 54.69 1aof s ASP 484 Cb -0.19 -2.43 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 1aof s ASP 484 CO 0.23 -0.45 1.38 -2.16 0.21 0.00 0.00 175.17 174.38 1aof s PRO 485 N 2.50 4.27 0.56 8.23 0.04 -1.26 -5.00 135.00 144.34 1aof s PRO 485 Ca 0.35 2.33 -0.12 0.00 0.04 0.00 0.00 61.00 63.60 1aof s PRO 485 Cb -0.16 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1aof s PRO 485 CO 0.09 -0.32 0.97 -1.83 0.04 0.00 0.00 177.00 175.95 1aof s GLU 486 N -1.65 3.70 0.12 4.56 -1.05 -1.26 -4.95 118.70 118.17 1aof s GLU 486 Ca 0.52 0.71 0.04 0.00 -0.15 0.00 0.00 54.97 56.09 1aof s GLU 486 Cb -0.42 -2.16 -0.04 0.00 -0.44 0.00 0.00 34.13 31.07 1aof s GLU 486 CO 0.54 -0.40 -0.10 -0.59 0.95 0.00 0.00 175.26 175.66 1aof s PHE 487 N -2.91 1.16 -0.02 4.83 -0.12 -1.26 -4.55 117.98 115.11 1aof s PHE 487 Ca 0.55 -0.68 -0.07 0.00 -0.05 0.00 0.00 56.93 56.68 1aof s PHE 487 Cb -0.11 -0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 1aof s PHE 487 CO 0.45 0.04 0.24 0.21 -0.05 0.00 0.00 175.22 176.10 1aof s LYS 488 N -3.10 3.55 -0.21 1.99 2.20 -0.07 -4.85 119.74 119.25 1aof s LYS 488 Ca 0.09 -0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.54 1aof s LYS 488 Cb -0.01 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1aof s LYS 488 CO 0.00 0.68 0.07 0.99 -0.36 0.00 0.00 175.35 176.74 1aof s THR 489 N -1.23 4.67 -0.28 3.43 2.01 -1.26 -0.35 115.64 122.62 1aof s THR 489 Ca 0.25 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 1aof s THR 489 Cb -0.13 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 1aof s THR 489 CO 0.14 0.41 0.12 -0.76 -0.69 0.00 0.00 174.62 173.83 1aof s LEU 490 N 0.84 3.83 -1.47 4.42 1.43 0.14 -4.96 118.68 122.91 1aof s LEU 490 Ca 0.04 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1aof s LEU 490 Cb -0.14 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1aof s LEU 490 CO 0.02 -0.13 2.27 -0.81 0.23 0.00 0.00 176.35 177.94 1aof n PRO 491 N 4.95 2.90 -0.09 1.29 -0.04 -1.26 -1.77 135.00 140.98 1aof n PRO 491 Ca -0.15 -2.58 -0.07 0.00 -0.04 0.00 0.00 63.50 60.67 1aof n PRO 491 Cb 0.50 -3.26 -0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1aof n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1aof h ILE 492 N 3.94 0.41 -0.76 0.52 1.08 -1.88 0.72 117.51 121.54 1aof h ILE 492 Ca 0.59 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 65.04 1aof h ILE 492 Cb 0.62 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1aof h ILE 492 CO 1.88 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 179.77 1aof h ALA 493 N 1.01 0.98 -0.29 1.87 0.00 -1.56 -1.27 119.26 120.01 1aof h ALA 493 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1aof h ALA 493 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1aof h ALA 493 CO -0.44 0.48 0.15 1.49 0.00 0.00 0.00 179.25 180.94 1aof h GLU 494 N 1.05 0.41 -0.68 0.00 4.81 -1.62 -2.01 114.58 116.54 1aof h GLU 494 Ca 0.27 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 1aof h GLU 494 Cb 0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1aof h GLU 494 CO -0.04 0.36 0.45 -1.49 -0.73 0.00 0.00 179.01 177.56 1aof h TRP 495 N 0.34 0.66 0.00 0.92 6.55 -0.42 -0.84 115.95 123.17 1aof h TRP 495 Ca 0.10 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.96 1aof h TRP 495 Cb 0.08 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.16 1aof h TRP 495 CO -0.03 0.34 0.00 0.00 -1.05 0.00 0.00 178.44 177.70 1aof n ALA 496 N -2.47 1.91 -2.10 1.49 0.00 -0.52 -4.90 120.51 113.93 1aof n ALA 496 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1aof n ALA 496 Cb 0.27 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 1aof n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aof n GLY 497 N 0.55 0.13 3.21 0.00 0.00 -0.32 -5.03 105.19 103.72 1aof n GLY 497 Ca 0.04 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1aof n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aof s ILE 498 N -2.32 2.48 0.00 -0.61 1.01 -1.16 -4.94 121.20 115.66 1aof s ILE 498 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1aof s ILE 498 Cb 0.00 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1aof s ILE 498 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 174.94 175.86 1aof n THR 499 N 4.37 0.00 -1.88 2.92 -1.04 -1.26 -4.57 114.28 112.82 1aof n THR 499 Ca -0.20 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 1aof n THR 499 Cb 0.51 -0.08 -0.01 0.00 -1.82 0.00 0.00 70.33 68.92 1aof n THR 499 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1aof s GLU 500 N -1.68 4.18 1.27 -2.82 -1.05 -1.26 -4.72 118.70 112.62 1aof s GLU 500 Ca 0.00 2.47 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 1aof s GLU 500 Cb 0.00 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1aof s GLU 500 CO 0.00 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.12 1aof n GLY 501 N 1.48 -1.41 3.22 -3.83 0.00 -1.26 -4.34 105.19 99.06 1aof n GLY 501 Ca 0.05 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1aof n GLY 501 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aof s GLN 502 N -0.79 3.10 0.29 1.61 0.74 -1.26 -5.05 119.66 118.30 1aof s GLN 502 Ca 0.00 -2.46 -0.29 0.00 0.05 0.00 0.00 55.36 52.65 1aof s GLN 502 Cb 0.00 -4.10 -0.10 0.00 1.10 0.00 0.00 33.01 29.90 1aof s GLN 502 CO 0.00 -1.24 1.44 -2.14 -0.55 0.00 0.00 175.29 172.80 1aof s PRO 503 N 0.12 4.24 -0.16 1.67 0.02 -1.26 -4.83 135.00 134.79 1aof s PRO 503 Ca 0.17 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1aof s PRO 503 Cb -0.15 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1aof s PRO 503 CO -0.06 -0.41 -0.18 1.03 -0.33 0.00 0.00 177.00 177.05 1aof s ARG 504 N -1.00 3.12 0.04 5.54 0.52 0.21 -4.16 118.95 123.21 1aof s ARG 504 Ca 0.56 -0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 54.73 1aof s ARG 504 Cb -0.43 -2.58 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 1aof s ARG 504 CO 0.49 -0.06 0.78 0.08 0.02 0.00 0.00 175.30 176.61 1aof s VAL 505 N 0.97 4.75 -0.06 3.52 1.01 -0.13 -0.09 120.40 130.37 1aof s VAL 505 Ca -0.03 1.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1aof s VAL 505 Cb -0.15 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1aof s VAL 505 CO -0.04 0.35 0.20 0.54 0.00 0.00 0.00 175.10 176.14 1aof s VAL 506 N 0.05 0.01 0.01 2.92 0.11 -0.34 -3.83 120.40 119.33 1aof s VAL 506 Ca 0.39 -0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1aof s VAL 506 Cb -0.20 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1aof s VAL 506 CO 0.23 -0.05 0.01 1.67 -3.33 0.00 0.00 175.10 173.63 1aof n GLN 507 N 2.77 -3.91 -3.05 1.54 7.27 -1.26 -2.00 117.38 118.74 1aof n GLN 507 Ca -0.14 2.84 -0.36 0.00 0.07 0.00 0.00 57.00 59.41 1aof n GLN 507 Cb 0.58 -3.70 -0.06 0.00 2.41 0.00 0.00 30.24 29.47 1aof n GLN 507 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1aof s GLY 508 N -0.45 2.63 -0.14 1.69 0.00 -1.26 -4.23 107.32 105.55 1aof s GLY 508 Ca -0.01 0.22 -0.07 0.00 0.00 0.00 0.00 44.72 44.86 1aof s GLY 508 CO 0.02 0.58 0.32 1.85 0.00 0.00 0.00 173.10 175.87 1aof s GLU 509 N -2.06 0.29 0.47 2.90 2.56 -0.68 -4.89 118.70 117.29 1aof s GLU 509 Ca 0.45 0.67 -0.03 0.00 0.00 0.00 0.00 54.97 56.06 1aof s GLU 509 Cb -0.16 -0.06 -0.02 0.00 2.00 0.00 0.00 34.13 35.88 1aof s GLU 509 CO 0.21 -0.17 0.74 -0.06 -0.56 0.00 0.00 175.26 175.42 1aof s PHE 510 N 1.42 3.42 0.87 5.30 0.40 -1.26 -0.17 117.98 127.96 1aof s PHE 510 Ca -0.09 0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 56.69 1aof s PHE 510 Cb -0.10 -2.31 0.16 0.00 0.51 0.00 0.00 43.02 41.29 1aof s PHE 510 CO -0.11 -0.32 1.21 0.54 0.70 0.00 0.00 175.22 177.24 1aof s ASN 511 N -4.15 3.63 0.38 1.36 4.22 -0.72 -4.65 114.94 114.99 1aof s ASN 511 Ca 0.47 0.16 0.09 0.00 -2.14 0.00 0.00 52.86 51.45 1aof s ASN 511 Cb -0.10 -0.36 0.84 0.00 1.28 0.00 0.00 41.25 42.91 1aof s ASN 511 CO 0.42 -2.39 1.92 0.50 -2.04 0.00 0.00 177.10 175.51 1aof h LYS 512 N -1.26 0.63 0.00 3.55 3.64 -1.88 -2.23 116.57 119.02 1aof h LYS 512 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1aof h LYS 512 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1aof h LYS 512 CO 0.42 0.42 -0.46 -0.44 -2.27 0.00 0.00 179.45 177.12 1aof h ASP 513 N 0.65 0.00 -0.80 4.20 3.32 -1.95 -3.48 116.42 118.36 1aof h ASP 513 Ca 0.37 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 1aof h ASP 513 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1aof h ASP 513 CO -0.14 0.04 -0.15 0.61 -1.72 0.00 0.00 179.24 177.88 1aof n GLY 514 N 1.24 0.21 0.00 2.75 0.00 -0.84 -4.80 105.19 103.76 1aof n GLY 514 Ca 0.03 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.49 1aof n GLY 514 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aof n THR 515 N -3.86 0.00 -3.91 2.61 -2.24 -1.26 -4.41 114.28 101.21 1aof n THR 515 Ca -0.07 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1aof n THR 515 Cb 0.51 0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 69.13 1aof n THR 515 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aof s GLU 516 N -3.00 0.17 -0.06 -0.78 2.02 -1.26 -1.53 118.70 114.25 1aof s GLU 516 Ca -0.00 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 54.78 1aof s GLU 516 Cb 0.13 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.43 1aof s GLU 516 CO 0.75 -0.03 -0.15 0.54 0.02 0.00 0.00 175.26 176.39 1aof s VAL 517 N -0.64 1.34 0.03 2.63 0.11 -0.65 -1.76 120.40 121.46 1aof s VAL 517 Ca -0.07 -0.62 -0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1aof s VAL 517 Cb -0.04 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1aof s VAL 517 CO -0.00 0.40 0.15 0.26 -3.33 0.00 0.00 175.10 172.58 1aof s TRP 518 N 0.44 3.41 0.04 1.54 0.52 0.77 -0.97 118.94 124.70 1aof s TRP 518 Ca -0.12 0.23 0.03 0.00 0.02 0.00 0.00 56.10 56.26 1aof s TRP 518 Cb -0.15 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1aof s TRP 518 CO 0.04 0.58 -0.10 -0.06 0.02 0.00 0.00 176.95 177.44 1aof s PHE 519 N -1.38 0.83 -0.10 -1.98 0.08 -0.40 -1.68 117.98 113.35 1aof s PHE 519 Ca 0.30 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.84 1aof s PHE 519 Cb -0.13 -0.49 -0.05 0.00 -0.57 0.00 0.00 43.02 41.79 1aof s PHE 519 CO 0.22 -0.03 0.25 -1.12 -0.10 0.00 0.00 175.22 174.44 1aof s SER 520 N -1.28 6.50 -0.76 1.36 0.01 -0.85 -1.29 113.70 117.38 1aof s SER 520 Ca -0.05 0.59 -0.06 0.00 1.31 0.00 0.00 55.95 57.75 1aof s SER 520 Cb -0.08 -2.15 0.20 0.00 0.21 0.00 0.00 66.02 64.20 1aof s SER 520 CO 0.01 0.30 0.64 -0.69 0.41 0.00 0.00 173.24 173.90 1aof s VAL 521 N -0.60 4.47 -0.49 3.43 1.01 0.47 -1.20 120.40 127.49 1aof s VAL 521 Ca 0.17 -3.06 -0.28 0.00 0.00 0.00 0.00 61.98 58.80 1aof s VAL 521 Cb -0.13 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1aof s VAL 521 CO 0.06 -0.98 1.34 0.86 0.00 0.00 0.00 175.10 176.38 1aof s TRP 522 N -0.36 2.47 0.51 5.22 -0.00 0.88 -2.43 118.94 125.23 1aof s TRP 522 Ca 0.20 0.60 0.03 0.00 -0.00 0.00 0.00 56.10 56.93 1aof s TRP 522 Cb -0.14 -4.39 -0.01 0.00 -0.00 0.00 0.00 33.47 28.93 1aof s TRP 522 CO -0.07 -1.79 0.10 1.21 -0.00 0.00 0.00 176.95 176.40 1aof s ASN 523 N 3.69 4.25 0.88 5.86 3.84 -1.26 -0.62 114.94 131.58 1aof s ASN 523 Ca 0.54 -1.52 -0.10 0.00 0.21 0.00 0.00 52.86 51.99 1aof s ASN 523 Cb -0.11 0.41 0.12 0.00 -0.55 0.00 0.00 41.25 41.13 1aof s ASN 523 CO 0.30 -0.88 1.12 -0.83 -2.79 0.00 0.00 177.10 174.01 1aof s GLY 524 N -3.97 1.67 0.39 1.21 0.00 -1.26 -4.42 107.32 100.95 1aof s GLY 524 Ca 0.15 0.40 0.13 0.00 0.00 0.00 0.00 44.72 45.40 1aof s GLY 524 CO 0.09 0.82 1.89 1.70 0.00 0.00 0.00 173.10 177.59 1aof h LYS 525 N -1.66 0.53 -0.40 2.90 3.64 -2.00 -0.16 116.57 119.43 1aof h LYS 525 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1aof h LYS 525 Cb 1.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1aof h LYS 525 CO 0.46 0.35 0.00 -0.25 -2.27 0.00 0.00 179.45 177.74 1aof n ASP 526 N -4.52 4.62 -4.82 4.20 8.00 -1.26 -4.85 116.55 117.92 1aof n ASP 526 Ca 0.16 -2.94 -0.29 0.00 0.71 0.00 0.00 54.79 52.44 1aof n ASP 526 Cb 0.52 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 1aof n ASP 526 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1aof s GLN 527 N -2.72 2.22 -0.19 -1.24 -1.52 -0.07 -5.11 119.66 111.03 1aof s GLN 527 Ca 0.47 -2.17 -0.16 0.00 -1.95 0.00 0.00 55.36 51.55 1aof s GLN 527 Cb 0.36 -1.84 -0.04 0.00 -0.22 0.00 0.00 33.01 31.28 1aof s GLN 527 CO 0.12 -0.45 0.40 -2.00 -0.25 0.00 0.00 175.29 173.11 1aof s GLU 528 N -4.06 4.19 0.53 2.91 2.12 -1.26 -4.74 118.70 118.39 1aof s GLU 528 Ca 0.23 0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.82 1aof s GLU 528 Cb 0.00 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.89 1aof s GLU 528 CO 0.13 -0.01 0.30 -1.12 -0.54 0.00 0.00 175.26 174.03 1aof s SER 529 N 0.97 4.51 0.09 -1.70 0.01 -1.26 -4.63 113.70 111.69 1aof s SER 529 Ca 0.19 -1.34 -0.27 0.00 1.31 0.00 0.00 55.95 55.85 1aof s SER 529 Cb -0.15 0.40 0.08 0.00 0.21 0.00 0.00 66.02 66.57 1aof s SER 529 CO 0.08 -1.02 1.03 0.00 0.41 0.00 0.00 173.24 173.73 1aof s ALA 530 N -2.79 -1.80 -0.07 1.44 0.00 -1.02 -4.73 121.76 112.78 1aof s ALA 530 Ca 0.27 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.66 1aof s ALA 530 Cb -0.01 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1aof s ALA 530 CO 0.17 -0.99 -0.20 -0.51 0.00 0.00 0.00 175.76 174.23 1aof s LEU 531 N -2.88 1.94 -0.16 0.00 1.43 -0.75 -0.40 118.68 117.86 1aof s LEU 531 Ca 0.12 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1aof s LEU 531 Cb -0.00 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1aof s LEU 531 CO -0.00 0.14 -0.11 -0.69 0.23 0.00 0.00 176.35 175.92 1aof s VAL 532 N 0.25 3.11 -0.26 -1.59 1.01 -0.41 -0.64 120.40 121.87 1aof s VAL 532 Ca -0.12 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1aof s VAL 532 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1aof s VAL 532 CO 0.05 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.09 1aof s VAL 533 N 0.76 4.86 -0.10 2.92 1.01 0.38 -1.27 120.40 128.95 1aof s VAL 533 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1aof s VAL 533 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1aof s VAL 533 CO 0.01 0.31 -0.01 -0.69 0.00 0.00 0.00 175.10 174.72 1aof s VAL 534 N 1.56 4.16 -0.35 2.92 1.01 -0.14 -0.76 120.40 128.80 1aof s VAL 534 Ca 0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1aof s VAL 534 Cb -0.15 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1aof s VAL 534 CO 0.07 0.58 1.12 -0.62 0.00 0.00 0.00 175.10 176.25 1aof s ASP 535 N -0.59 6.83 0.34 3.32 -1.08 -0.34 -1.64 116.67 123.51 1aof s ASP 535 Ca 0.10 0.94 0.01 0.00 -0.52 0.00 0.00 52.55 53.07 1aof s ASP 535 Cb -0.12 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.38 1aof s ASP 535 CO 0.02 -0.99 1.99 -0.78 0.52 0.00 0.00 175.17 175.93 1aof h ASP 536 N 8.51 0.78 0.32 -0.34 3.58 -1.60 0.17 116.42 127.83 1aof h ASP 536 Ca -0.22 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.08 1aof h ASP 536 Cb 1.06 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1aof h ASP 536 CO 1.06 0.57 -0.52 0.11 -2.88 0.00 0.00 179.24 177.58 1aof h LYS 537 N 0.92 0.23 0.00 0.28 1.57 -1.92 -3.32 116.57 114.33 1aof h LYS 537 Ca 0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1aof h LYS 537 Cb -0.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1aof h LYS 537 CO -0.05 0.69 -0.79 0.25 -0.57 0.00 0.00 179.45 178.98 1aof n THR 538 N -3.94 0.00 -2.30 -0.16 -2.24 -1.14 -4.99 114.28 99.52 1aof n THR 538 Ca -0.02 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 1aof n THR 538 Cb 0.55 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 1aof n THR 538 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aof n LEU 539 N -1.43 -1.80 -4.71 3.22 4.77 0.57 -4.99 117.00 112.63 1aof n LEU 539 Ca 0.01 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 1aof n LEU 539 Cb 0.21 -2.64 -0.07 0.00 -2.33 0.00 0.00 43.42 38.59 1aof n LEU 539 CO 0.23 -0.24 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.15 1aof s GLU 540 N -4.83 2.54 0.31 3.23 2.02 -1.22 -4.91 118.70 115.84 1aof s GLU 540 Ca 0.00 -1.13 -0.29 0.00 0.02 0.00 0.00 54.97 53.57 1aof s GLU 540 Cb 0.00 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.73 1aof s GLU 540 CO 0.00 0.43 1.48 -1.17 0.02 0.00 0.00 175.26 176.02 1aof s LEU 541 N -3.26 4.36 -0.03 1.80 2.96 -1.26 -1.20 118.68 122.05 1aof s LEU 541 Ca 0.30 2.86 -0.07 0.00 -0.22 0.00 0.00 54.13 57.00 1aof s LEU 541 Cb -0.09 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1aof s LEU 541 CO 0.21 -0.79 -0.14 1.17 -1.32 0.00 0.00 176.35 175.48 1aof n LYS 542 N 1.57 0.21 -3.69 1.98 3.00 0.06 -4.77 118.16 116.52 1aof n LYS 542 Ca 0.05 0.09 -0.15 0.00 -0.00 0.00 0.00 58.31 58.30 1aof n LYS 542 Cb 0.39 -0.87 -0.08 0.00 0.00 0.00 0.00 35.03 34.47 1aof n LYS 542 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1aof s HIS 543 N -2.32 -0.39 -0.13 5.64 5.04 -0.94 -5.01 115.29 117.19 1aof s HIS 543 Ca -0.12 0.74 0.02 0.00 -1.54 0.00 0.00 55.06 54.16 1aof s HIS 543 Cb 0.03 0.20 -0.00 0.00 0.04 0.00 0.00 32.58 32.84 1aof s HIS 543 CO 0.17 -0.41 -0.19 0.08 -2.34 0.00 0.00 174.74 172.05 1aof s VAL 544 N -0.89 2.42 -0.30 0.89 1.01 -1.26 -0.47 120.40 121.79 1aof s VAL 544 Ca -0.09 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1aof s VAL 544 Cb -0.03 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1aof s VAL 544 CO 0.05 0.54 0.17 -0.63 0.00 0.00 0.00 175.10 175.22 1aof s ILE 545 N 0.54 4.83 -0.02 2.22 1.01 0.18 -4.98 121.20 124.98 1aof s ILE 545 Ca -0.12 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1aof s ILE 545 Cb -0.16 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 1aof s ILE 545 CO 0.04 0.12 -0.11 -0.54 0.00 0.00 0.00 174.94 174.46 1aof s LYS 546 N 1.66 1.04 -0.16 2.79 1.02 -1.26 -1.82 119.74 123.02 1aof s LYS 546 Ca 0.06 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 1aof s LYS 546 Cb -0.17 -0.97 0.09 0.00 -0.52 0.00 0.00 37.83 36.26 1aof s LYS 546 CO 0.08 0.18 0.83 0.34 -0.92 0.00 0.00 175.35 175.86 1aof s ASP 547 N -0.01 -0.56 0.43 2.83 -1.08 -1.26 -5.04 116.67 111.97 1aof s ASP 547 Ca -0.00 0.79 0.13 0.00 -0.52 0.00 0.00 52.55 52.95 1aof s ASP 547 Cb -0.07 0.70 1.00 0.00 -1.46 0.00 0.00 42.92 43.08 1aof s ASP 547 CO 0.00 -0.40 1.98 -0.33 0.52 0.00 0.00 175.17 176.94 1aof h GLU 548 N 3.43 0.43 0.00 4.34 4.39 -2.00 -1.01 114.58 124.16 1aof h GLU 548 Ca -0.25 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1aof h GLU 548 Cb 1.16 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1aof h GLU 548 CO 0.26 0.29 0.00 0.54 -1.16 0.00 0.00 179.01 178.94 1aof n ARG 549 N -4.47 0.14 -1.60 2.33 1.74 -1.26 -4.47 116.66 109.07 1aof n ARG 549 Ca 0.10 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 1aof n ARG 549 Cb 0.35 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1aof n ARG 549 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1aof n LEU 550 N -1.94 6.61 -4.66 0.55 7.94 -0.38 -4.93 117.00 120.19 1aof n LEU 550 Ca 0.05 -3.97 -0.40 0.00 -1.11 0.00 0.00 56.01 50.58 1aof n LEU 550 Cb 0.34 -1.57 -0.05 0.00 0.53 0.00 0.00 43.42 42.66 1aof n LEU 550 CO 0.25 0.98 0.44 -0.69 -1.11 0.00 0.00 177.39 177.26 1aof s VAL 551 N 3.37 4.98 -1.22 1.96 1.01 -1.26 -4.44 120.40 124.81 1aof s VAL 551 Ca 0.50 1.31 -0.33 0.00 0.00 0.00 0.00 61.98 63.45 1aof s VAL 551 Cb 0.14 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1aof s VAL 551 CO -0.06 0.09 0.68 0.35 0.00 0.00 0.00 175.10 176.16 1aof n THR 552 N 4.69 -2.96 -2.19 3.92 -2.24 -1.26 -3.88 114.28 110.35 1aof n THR 552 Ca 0.00 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 1aof n THR 552 Cb 0.49 -2.44 -0.03 0.00 -2.10 0.00 0.00 70.33 66.25 1aof n THR 552 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1aof s PRO 553 N -7.34 4.34 0.00 -0.78 0.04 -1.26 -2.26 135.00 127.74 1aof s PRO 553 Ca 0.49 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1aof s PRO 553 Cb -0.26 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1aof s PRO 553 CO 0.97 -0.40 0.00 0.25 0.04 0.00 0.00 177.00 177.86 1aof n THR 554 N 3.74 0.00 -2.01 1.26 -2.24 -0.52 -4.26 114.28 110.26 1aof n THR 554 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1aof n THR 554 Cb 0.43 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1aof n THR 554 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1aof s GLY 555 N -0.21 2.70 -0.03 3.38 0.00 -1.26 -4.69 107.32 107.22 1aof s GLY 555 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.11 1aof s GLY 555 CO 0.00 2.14 -0.12 0.54 0.00 0.00 0.00 173.10 175.66 1aof s LYS 556 N -1.27 1.14 -0.12 2.90 1.02 -1.26 -0.53 119.74 121.62 1aof s LYS 556 Ca 0.54 -0.40 -0.02 0.00 0.02 0.00 0.00 55.97 56.10 1aof s LYS 556 Cb -0.42 -1.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1aof s LYS 556 CO 0.51 0.18 0.04 -0.06 -0.92 0.00 0.00 175.35 175.10 1aof s PHE 557 N 0.03 0.58 0.04 3.18 0.08 0.11 -4.89 117.98 117.12 1aof s PHE 557 Ca -0.01 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.43 1aof s PHE 557 Cb -0.08 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1aof s PHE 557 CO 0.01 -0.41 1.14 1.21 -0.10 0.00 0.00 175.22 177.07 1aof s ASN 558 N 2.00 7.15 0.14 1.36 3.84 -1.26 -0.63 114.94 127.54 1aof s ASN 558 Ca 0.03 1.91 -0.26 0.00 0.21 0.00 0.00 52.86 54.75 1aof s ASN 558 Cb -0.14 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 37.97 1aof s ASN 558 CO -0.06 -0.43 1.61 0.58 -2.79 0.00 0.00 177.10 176.01 1aof h VAL 559 N 4.62 0.28 -0.13 -5.21 2.07 -1.19 -1.61 116.25 115.07 1aof h VAL 559 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1aof h VAL 559 Cb 1.21 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1aof h VAL 559 CO 0.80 0.00 0.08 0.22 0.02 0.00 0.00 177.57 178.69 1aof h TYR 560 N -0.38 0.16 0.00 1.57 3.20 -1.61 -1.08 116.97 118.83 1aof h TYR 560 Ca 0.10 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1aof h TYR 560 Cb 0.54 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1aof h TYR 560 CO -0.42 0.10 -0.25 -0.91 -1.64 0.00 0.00 178.16 175.03 1aof h ASN 561 N 0.17 0.00 0.13 -2.11 2.35 -1.80 -2.45 115.58 111.88 1aof h ASN 561 Ca 0.05 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 1aof h ASN 561 Cb -0.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.37 1aof h ASN 561 CO -0.01 0.25 -0.78 0.74 -1.65 0.00 0.00 177.43 175.98 1aof h THR 562 N 0.00 1.52 0.00 2.81 2.02 -1.04 -1.04 112.91 117.18 1aof h THR 562 Ca -0.00 -2.52 -0.08 0.00 0.77 0.00 0.00 66.41 64.58 1aof h THR 562 Cb 0.51 3.19 -0.01 0.00 -1.74 0.00 0.00 68.15 70.10 1aof h THR 562 CO 0.03 0.71 -0.39 0.00 0.37 0.00 0.00 175.52 176.24 1aof h MET 563 N -0.38 0.00 -0.03 6.66 -0.00 -1.13 -2.94 114.93 117.12 1aof h MET 563 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1aof h MET 563 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.21 1aof h MET 563 CO 0.15 0.39 -0.06 0.25 -0.00 0.00 0.00 176.91 177.64 1aof n THR 564 N -3.96 0.00 -3.67 -0.10 -2.24 -0.93 -4.76 114.28 98.62 1aof n THR 564 Ca -0.02 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.07 1aof n THR 564 Cb 0.44 1.47 0.03 0.00 -2.10 0.00 0.00 70.33 70.17 1aof n THR 564 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aof n ASP 565 N 1.18 -1.94 -4.38 3.42 8.00 -0.92 -4.95 116.55 116.96 1aof n ASP 565 Ca 0.13 -0.84 -0.45 0.00 0.71 0.00 0.00 54.79 54.35 1aof n ASP 565 Cb 0.58 -4.03 -0.06 0.00 -0.02 0.00 0.00 41.12 37.58 1aof n ASP 565 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1aof s THR 566 N -3.64 5.11 0.00 -3.53 2.01 -0.44 -5.02 115.64 110.13 1aof s THR 566 Ca 0.08 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1aof s THR 566 Cb -0.02 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1aof s THR 566 CO 0.81 -0.74 0.00 0.00 -0.69 0.00 0.00 174.62 174.00