#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pf3 s PRO 32 N 0.00 2.97 0.56 5.56 0.04 -1.26 -4.61 135.00 138.26 1pf3 s PRO 32 Ca 0.00 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 1pf3 s PRO 32 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1pf3 s PRO 32 CO 0.00 -1.18 1.12 0.95 0.04 0.00 0.00 177.00 177.93 1pf3 s THR 33 N -1.76 3.22 0.04 1.26 -4.23 -1.26 -0.63 115.64 112.28 1pf3 s THR 33 Ca 0.75 0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 61.69 1pf3 s THR 33 Cb -0.27 -3.28 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 1pf3 s THR 33 CO 0.33 -0.19 1.73 -0.22 -0.54 0.00 0.00 174.62 175.73 1pf3 s LEU 34 N -3.93 4.37 0.29 4.79 2.96 -0.12 -4.72 118.68 122.33 1pf3 s LEU 34 Ca 0.71 2.49 -0.30 0.00 -0.22 0.00 0.00 54.13 56.82 1pf3 s LEU 34 Cb -0.23 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.80 1pf3 s LEU 34 CO 0.29 -0.94 1.52 -2.84 -1.32 0.00 0.00 176.35 173.06 1pf3 s PRO 35 N 3.34 4.17 -0.27 0.98 0.02 -1.26 -4.99 135.00 136.99 1pf3 s PRO 35 Ca 0.77 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 64.26 1pf3 s PRO 35 Cb -0.39 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 31.12 1pf3 s PRO 35 CO 0.34 -0.54 -0.03 0.42 -0.33 0.00 0.00 177.00 176.86 1pf3 s ILE 36 N -0.23 2.89 0.55 2.83 -1.09 -1.26 -4.86 121.20 120.04 1pf3 s ILE 36 Ca 0.60 -1.22 -0.21 0.00 -2.23 0.00 0.00 60.65 57.58 1pf3 s ILE 36 Cb -0.46 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1pf3 s ILE 36 CO 0.49 0.04 1.32 -2.65 -1.23 0.00 0.00 174.94 172.92 1pf3 n PRO 37 N 4.64 1.61 -2.15 2.79 -0.02 -1.26 -4.94 135.00 135.65 1pf3 n PRO 37 Ca -0.15 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1pf3 n PRO 37 Cb 0.45 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1pf3 n PRO 37 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pf3 s ASP 38 N -0.95 6.82 -0.50 2.55 1.01 -1.26 -4.64 116.67 119.71 1pf3 s ASP 38 Ca 0.72 2.53 -0.25 0.00 0.71 0.00 0.00 52.55 56.27 1pf3 s ASP 38 Cb -0.42 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 40.92 1pf3 s ASP 38 CO 0.49 -0.55 0.92 -0.22 0.21 0.00 0.00 175.17 176.01 1pf3 s LEU 39 N -0.65 4.08 -0.24 1.23 2.96 -1.26 -0.69 118.68 124.11 1pf3 s LEU 39 Ca 0.55 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 1pf3 s LEU 39 Cb -0.38 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 1pf3 s LEU 39 CO 0.43 -1.11 0.05 -0.22 -1.32 0.00 0.00 176.35 174.18 1pf3 s LEU 40 N 3.79 3.37 0.52 -0.68 0.20 0.61 -4.92 118.68 121.56 1pf3 s LEU 40 Ca 0.33 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.95 1pf3 s LEU 40 Cb -0.11 -1.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.75 1pf3 s LEU 40 CO 0.23 -0.03 0.13 0.42 -0.29 0.00 0.00 176.35 176.81 1pf3 s THR 41 N 1.56 1.32 0.64 3.68 -4.23 -1.26 -0.99 115.64 116.36 1pf3 s THR 41 Ca 0.06 -1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1pf3 s THR 41 Cb -0.15 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 1pf3 s THR 41 CO 0.03 0.00 1.08 0.42 -0.54 0.00 0.00 174.62 175.60 1pf3 s THR 42 N -2.84 3.63 0.21 3.99 -4.23 -1.26 -4.79 115.64 110.34 1pf3 s THR 42 Ca 0.15 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1pf3 s THR 42 Cb 0.00 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.62 1pf3 s THR 42 CO 0.09 -0.51 0.28 -0.90 -0.54 0.00 0.00 174.62 173.04 1pf3 n ASP 43 N -2.40 0.39 0.28 3.99 5.68 -0.78 -4.87 116.55 118.85 1pf3 n ASP 43 Ca 0.09 -1.33 0.14 0.00 -0.50 0.00 0.00 54.79 53.20 1pf3 n ASP 43 Cb 0.53 -0.18 0.83 0.00 -1.14 0.00 0.00 41.12 41.16 1pf3 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pf3 h ALA 44 N -0.46 1.34 -0.12 2.12 0.00 -1.98 -0.41 119.26 119.76 1pf3 h ALA 44 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pf3 h ALA 44 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pf3 h ALA 44 CO 0.10 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1pf3 n ARG 45 N -3.66 1.55 -2.32 0.00 1.74 -1.26 -4.92 116.66 107.80 1pf3 n ARG 45 Ca -0.02 -0.83 -0.14 0.00 -0.77 0.00 0.00 57.85 56.09 1pf3 n ARG 45 Cb 0.17 -1.38 -0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1pf3 n ARG 45 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pf3 n ASN 46 N 0.05 -4.25 -4.47 0.55 5.15 -0.16 -4.96 115.26 107.17 1pf3 n ASN 46 Ca 0.16 -0.03 -0.30 0.00 -0.60 0.00 0.00 54.58 53.81 1pf3 n ASN 46 Cb 0.27 -3.39 -0.12 0.00 -0.53 0.00 0.00 39.78 36.01 1pf3 n ASN 46 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1pf3 s ARG 47 N -4.75 1.94 -0.06 1.20 0.52 -1.26 -1.78 118.95 114.75 1pf3 s ARG 47 Ca 0.02 -1.07 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1pf3 s ARG 47 Cb -0.01 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1pf3 s ARG 47 CO 0.03 0.51 -0.24 0.42 0.02 0.00 0.00 175.30 176.04 1pf3 s ILE 48 N -1.03 1.98 -0.18 1.52 1.01 0.45 -1.86 121.20 123.08 1pf3 s ILE 48 Ca 0.16 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1pf3 s ILE 48 Cb -0.11 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1pf3 s ILE 48 CO 0.08 0.55 0.02 -1.10 0.00 0.00 0.00 174.94 174.48 1pf3 s GLN 49 N -0.09 3.76 -0.15 2.79 -0.21 -1.26 -0.21 119.66 124.29 1pf3 s GLN 49 Ca -0.05 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 54.89 1pf3 s GLN 49 Cb -0.14 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.79 1pf3 s GLN 49 CO 0.04 0.16 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.67 1pf3 s LEU 50 N 0.63 2.00 -0.19 2.90 1.43 0.08 -4.96 118.68 120.57 1pf3 s LEU 50 Ca 0.00 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1pf3 s LEU 50 Cb -0.14 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1pf3 s LEU 50 CO 0.02 0.02 0.05 -0.89 0.23 0.00 0.00 176.35 175.77 1pf3 s THR 51 N 1.14 4.52 -0.28 5.49 2.01 -1.26 -0.66 115.64 126.59 1pf3 s THR 51 Ca -0.00 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 1pf3 s THR 51 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1pf3 s THR 51 CO -0.08 0.44 0.24 -0.63 -0.69 0.00 0.00 174.62 173.89 1pf3 s ILE 52 N 0.67 5.28 0.15 1.82 1.01 0.57 -0.98 121.20 129.72 1pf3 s ILE 52 Ca 0.02 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.72 1pf3 s ILE 52 Cb -0.13 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.80 1pf3 s ILE 52 CO 0.02 0.21 0.50 -0.83 0.00 0.00 0.00 174.94 174.84 1pf3 s GLY 53 N 1.73 -0.36 -0.01 6.18 0.00 -0.56 -0.20 107.32 114.10 1pf3 s GLY 53 Ca 0.09 0.11 -0.15 0.00 0.00 0.00 0.00 44.72 44.77 1pf3 s GLY 53 CO 0.11 -0.13 0.40 0.00 0.00 0.00 0.00 173.10 173.48 1pf3 s ALA 54 N -3.80 3.69 0.00 3.20 0.00 -1.26 -1.29 121.76 122.30 1pf3 s ALA 54 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1pf3 s ALA 54 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1pf3 s ALA 54 CO -0.10 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1pf3 n GLY 55 N 1.93 4.63 3.06 0.00 0.00 0.86 -4.99 105.19 110.68 1pf3 n GLY 55 Ca -0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1pf3 n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pf3 s GLN 56 N 3.57 0.46 0.16 1.61 -1.52 -1.26 -1.99 119.66 120.68 1pf3 s GLN 56 Ca 0.00 -0.64 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 1pf3 s GLN 56 Cb 0.00 0.18 -0.04 0.00 -0.22 0.00 0.00 33.01 32.92 1pf3 s GLN 56 CO 0.00 -0.10 0.04 -1.12 -0.25 0.00 0.00 175.29 173.86 1pf3 s SER 57 N -1.74 0.76 -0.13 5.90 0.01 -0.36 -4.84 113.70 113.31 1pf3 s SER 57 Ca -0.11 -1.21 0.03 0.00 1.31 0.00 0.00 55.95 55.97 1pf3 s SER 57 Cb -0.05 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1pf3 s SER 57 CO -0.02 -0.66 -0.22 -0.89 0.41 0.00 0.00 173.24 171.86 1pf3 s THR 58 N -3.86 1.99 -0.13 1.44 2.01 -1.26 -0.76 115.64 115.06 1pf3 s THR 58 Ca 0.25 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1pf3 s THR 58 Cb 0.07 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1pf3 s THR 58 CO 0.04 0.54 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.01 1pf3 s PHE 59 N 0.71 1.99 -1.56 4.92 0.08 -0.54 -4.77 117.98 118.81 1pf3 s PHE 59 Ca -0.10 -1.06 -0.14 0.00 0.12 0.00 0.00 56.93 55.76 1pf3 s PHE 59 Cb -0.16 -1.48 0.10 0.00 -0.57 0.00 0.00 43.02 40.90 1pf3 s PHE 59 CO 0.01 -0.59 0.89 0.41 -0.10 0.00 0.00 175.22 175.83 1pf3 n GLY 60 N 4.66 -0.46 2.47 4.36 0.00 -1.26 -1.54 105.19 113.42 1pf3 n GLY 60 Ca -0.17 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pf3 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pf3 n GLY 61 N -1.62 1.08 3.23 -0.02 0.00 -1.26 -5.02 105.19 101.58 1pf3 n GLY 61 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1pf3 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pf3 s LYS 62 N -0.18 3.13 0.47 1.61 2.47 -0.59 -5.08 119.74 121.58 1pf3 s LYS 62 Ca 0.00 -0.80 -0.23 0.00 -1.56 0.00 0.00 55.97 53.38 1pf3 s LYS 62 Cb 0.00 -2.51 -0.07 0.00 -1.46 0.00 0.00 37.83 33.79 1pf3 s LYS 62 CO 0.00 0.05 1.21 0.99 0.16 0.00 0.00 175.35 177.75 1pf3 s THR 63 N 0.70 2.89 -0.04 3.43 2.01 -1.26 -1.47 115.64 121.91 1pf3 s THR 63 Ca -0.08 0.67 -0.05 0.00 0.31 0.00 0.00 61.69 62.54 1pf3 s THR 63 Cb -0.16 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.02 1pf3 s THR 63 CO 0.01 -0.01 0.14 0.00 -0.69 0.00 0.00 174.62 174.08 1pf3 s ALA 64 N -1.49 -0.34 0.13 7.40 0.00 0.06 -4.37 121.76 123.14 1pf3 s ALA 64 Ca 0.65 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 1pf3 s ALA 64 Cb -0.31 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 1pf3 s ALA 64 CO 0.38 -0.10 1.63 0.99 0.00 0.00 0.00 175.76 178.65 1pf3 s THR 65 N -0.26 2.76 0.12 0.00 2.01 -1.26 -1.22 115.64 117.79 1pf3 s THR 65 Ca -0.03 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1pf3 s THR 65 Cb -0.03 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1pf3 s THR 65 CO 0.00 0.02 -0.04 0.42 -0.69 0.00 0.00 174.62 174.33 1pf3 s THR 66 N 1.86 0.66 0.05 -0.82 -4.23 -0.84 -4.67 115.64 107.64 1pf3 s THR 66 Ca 0.73 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1pf3 s THR 66 Cb -0.43 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 1pf3 s THR 66 CO 0.32 -0.75 -0.15 0.26 -0.54 0.00 0.00 174.62 173.76 1pf3 s TRP 67 N -3.66 2.64 0.22 3.99 0.51 0.05 -0.10 118.94 122.60 1pf3 s TRP 67 Ca 0.16 -0.21 -0.12 0.00 -2.12 0.00 0.00 56.10 53.81 1pf3 s TRP 67 Cb 0.06 -1.48 -0.00 0.00 -0.81 0.00 0.00 33.47 31.23 1pf3 s TRP 67 CO -0.02 0.30 0.43 0.20 -0.51 0.00 0.00 176.95 177.35 1pf3 s GLY 68 N -1.56 0.48 -0.24 0.98 0.00 -0.41 -3.39 107.32 103.18 1pf3 s GLY 68 Ca 0.16 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.92 1pf3 s GLY 68 CO 0.07 -0.66 0.29 -0.19 0.00 0.00 0.00 173.10 172.61 1pf3 s TYR 69 N -3.99 3.31 -1.51 1.90 2.02 0.04 -1.50 117.35 117.62 1pf3 s TYR 69 Ca 0.20 0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 57.16 1pf3 s TYR 69 Cb 0.01 -2.43 0.07 0.00 -0.40 0.00 0.00 41.96 39.21 1pf3 s TYR 69 CO 0.06 -0.05 0.95 0.09 -1.57 0.00 0.00 175.55 175.02 1pf3 n ASN 70 N 4.68 -4.34 0.00 2.29 4.13 -0.15 -4.11 115.26 117.77 1pf3 n ASN 70 Ca -0.11 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.36 1pf3 n ASN 70 Cb 0.51 -3.90 0.00 0.00 -1.54 0.00 0.00 39.78 34.85 1pf3 n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pf3 n GLY 71 N -1.69 -0.79 0.17 7.41 0.00 -1.26 -4.90 105.19 104.14 1pf3 n GLY 71 Ca -0.00 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.73 1pf3 n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pf3 h ASN 72 N 0.00 0.00 -4.03 1.61 2.35 -1.87 -3.19 115.58 110.44 1pf3 h ASN 72 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1pf3 h ASN 72 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.15 1pf3 h ASN 72 CO 0.00 0.35 0.23 -0.22 -1.65 0.00 0.00 177.43 176.14 1pf3 s LEU 73 N -6.47 -0.65 0.00 1.61 2.96 -1.25 -3.22 118.68 111.66 1pf3 s LEU 73 Ca 0.04 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1pf3 s LEU 73 Cb 0.08 2.33 0.00 0.00 0.50 0.00 0.00 46.19 49.10 1pf3 s LEU 73 CO 0.71 -0.30 0.00 0.18 -1.32 0.00 0.00 176.35 175.62 1pf3 n LEU 74 N 2.17 0.00 0.00 -0.68 4.77 0.47 -4.65 117.00 119.07 1pf3 n LEU 74 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1pf3 n LEU 74 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1pf3 n LEU 74 CO 0.07 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1pf3 n GLY 75 N 0.00 -0.11 3.83 -0.72 0.00 -0.75 -0.78 105.19 106.66 1pf3 n GLY 75 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1pf3 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pf3 s PRO 76 N -2.00 0.98 -0.37 1.61 0.04 -1.26 -4.63 135.00 129.37 1pf3 s PRO 76 Ca 0.00 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.98 1pf3 s PRO 76 Cb 0.00 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1pf3 s PRO 76 CO 0.00 -2.26 0.23 0.00 0.04 0.00 0.00 177.00 175.01 1pf3 s ALA 77 N -3.46 3.35 -0.17 8.56 0.00 0.13 -2.18 121.76 127.99 1pf3 s ALA 77 Ca 0.66 -1.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 1pf3 s ALA 77 Cb -0.11 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 1pf3 s ALA 77 CO 0.52 -1.31 0.99 0.08 0.00 0.00 0.00 175.76 176.04 1pf3 s VAL 78 N 1.61 4.76 -0.25 0.00 1.01 0.09 -0.28 120.40 127.33 1pf3 s VAL 78 Ca 0.03 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.86 1pf3 s VAL 78 Cb -0.19 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1pf3 s VAL 78 CO 0.08 -0.07 0.22 -0.75 0.00 0.00 0.00 175.10 174.58 1pf3 s LYS 79 N 2.56 4.03 0.19 2.72 2.20 -0.16 -0.36 119.74 130.92 1pf3 s LYS 79 Ca 0.44 -0.20 0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1pf3 s LYS 79 Cb -0.17 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1pf3 s LYS 79 CO 0.12 -0.08 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.31 1pf3 s LEU 80 N 1.46 2.46 -0.08 5.43 1.43 0.17 -4.67 118.68 124.88 1pf3 s LEU 80 Ca 0.09 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1pf3 s LEU 80 Cb -0.15 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1pf3 s LEU 80 CO 0.08 0.04 -0.13 -1.58 0.23 0.00 0.00 176.35 174.98 1pf3 s GLN 81 N -2.85 1.89 0.20 1.70 2.00 -1.26 -0.69 119.66 120.66 1pf3 s GLN 81 Ca 0.20 -0.46 -0.32 0.00 -2.00 0.00 0.00 55.36 52.77 1pf3 s GLN 81 Cb -0.06 -1.60 -0.14 0.00 0.80 0.00 0.00 33.01 32.00 1pf3 s GLN 81 CO 0.09 -0.02 1.38 -2.13 -0.50 0.00 0.00 175.29 174.11 1pf3 n ARG 82 N 4.03 1.83 -0.46 1.67 0.63 -0.50 -1.89 116.66 121.97 1pf3 n ARG 82 Ca -0.20 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 1pf3 n ARG 82 Cb 0.51 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.13 1pf3 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pf3 n GLY 83 N 2.35 1.16 3.43 5.14 0.00 0.52 -4.97 105.19 112.82 1pf3 n GLY 83 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pf3 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pf3 s LYS 84 N -0.35 2.09 0.03 1.61 1.02 -0.79 -4.92 119.74 118.44 1pf3 s LYS 84 Ca 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 55.97 54.98 1pf3 s LYS 84 Cb 0.00 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1pf3 s LYS 84 CO 0.00 0.55 0.28 0.00 -0.92 0.00 0.00 175.35 175.25 1pf3 s ALA 85 N -0.85 3.86 0.03 5.17 0.00 -1.26 -2.39 121.76 126.32 1pf3 s ALA 85 Ca 0.13 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1pf3 s ALA 85 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1pf3 s ALA 85 CO 0.04 0.68 -0.08 0.14 0.00 0.00 0.00 175.76 176.54 1pf3 s VAL 86 N -1.38 0.56 -0.18 0.00 -7.23 -0.44 -4.98 120.40 106.75 1pf3 s VAL 86 Ca 0.30 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.60 1pf3 s VAL 86 Cb -0.13 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.20 1pf3 s VAL 86 CO 0.19 -0.19 0.02 -0.89 -0.31 0.00 0.00 175.10 173.92 1pf3 s THR 87 N -0.94 4.30 -0.19 5.32 2.01 -0.74 -0.61 115.64 124.79 1pf3 s THR 87 Ca -0.05 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1pf3 s THR 87 Cb -0.07 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1pf3 s THR 87 CO 0.00 0.45 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 1pf3 s VAL 88 N 0.61 3.60 -0.31 3.82 1.01 0.13 -0.41 120.40 128.84 1pf3 s VAL 88 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1pf3 s VAL 88 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1pf3 s VAL 88 CO 0.02 0.46 0.23 -1.81 0.00 0.00 0.00 175.10 174.00 1pf3 s ASP 89 N 0.91 6.06 -0.27 3.32 1.01 0.71 -1.53 116.67 126.88 1pf3 s ASP 89 Ca -0.00 -0.23 -0.03 0.00 0.71 0.00 0.00 52.55 52.99 1pf3 s ASP 89 Cb -0.15 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1pf3 s ASP 89 CO 0.01 -0.17 -0.01 -0.63 0.21 0.00 0.00 175.17 174.59 1pf3 s ILE 90 N 1.76 3.25 -0.31 0.77 1.01 0.27 -0.74 121.20 127.21 1pf3 s ILE 90 Ca 0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 1pf3 s ILE 90 Cb -0.17 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1pf3 s ILE 90 CO 0.11 0.12 0.13 -0.31 0.00 0.00 0.00 174.94 174.99 1pf3 s TYR 91 N 1.37 3.17 -0.59 3.97 1.51 0.16 -1.17 117.35 125.78 1pf3 s TYR 91 Ca 0.00 -0.73 -0.23 0.00 -1.01 0.00 0.00 57.07 55.11 1pf3 s TYR 91 Cb -0.17 -2.33 0.06 0.00 -0.11 0.00 0.00 41.96 39.41 1pf3 s TYR 91 CO -0.02 -0.51 0.89 1.21 -1.11 0.00 0.00 175.55 176.02 1pf3 s ASN 92 N 1.57 6.25 -0.04 2.29 2.47 -0.35 -0.32 114.94 126.82 1pf3 s ASN 92 Ca 0.04 -0.72 0.21 0.00 0.42 0.00 0.00 52.86 52.80 1pf3 s ASN 92 Cb -0.17 -2.40 0.67 0.00 -1.45 0.00 0.00 41.25 37.89 1pf3 s ASN 92 CO 0.05 -1.26 1.56 0.00 -3.72 0.00 0.00 177.10 173.74 1pf3 n GLN 93 N 7.33 3.06 -1.57 0.43 6.02 0.73 -0.08 117.38 133.29 1pf3 n GLN 93 Ca -0.02 -2.73 -0.29 0.00 -0.01 0.00 0.00 57.00 53.95 1pf3 n GLN 93 Cb 0.46 -1.67 0.11 0.00 1.02 0.00 0.00 30.24 30.17 1pf3 n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pf3 s LEU 94 N -1.27 2.28 0.00 1.08 1.43 -1.18 -4.66 118.68 116.35 1pf3 s LEU 94 Ca 0.49 1.09 0.24 0.00 -1.03 0.00 0.00 54.13 54.92 1pf3 s LEU 94 Cb 0.28 -3.54 0.60 0.00 0.03 0.00 0.00 46.19 43.56 1pf3 s LEU 94 CO 0.30 -2.28 1.49 0.35 0.23 0.00 0.00 176.35 176.45 1pf3 n THR 95 N -3.60 0.17 -4.36 5.49 -2.24 -1.26 -3.70 114.28 104.78 1pf3 n THR 95 Ca 0.07 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.19 1pf3 n THR 95 Cb 0.58 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 1pf3 n THR 95 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pf3 s GLU 96 N -1.83 1.36 0.57 -0.78 -1.05 -1.26 -4.84 118.70 110.87 1pf3 s GLU 96 Ca 0.34 -1.56 -0.21 0.00 -0.15 0.00 0.00 54.97 53.40 1pf3 s GLU 96 Cb 0.20 -1.28 -0.04 0.00 -0.44 0.00 0.00 34.13 32.57 1pf3 s GLU 96 CO 0.30 0.23 1.35 -1.21 0.95 0.00 0.00 175.26 176.89 1pf3 s GLU 97 N -3.34 2.98 0.34 -4.83 2.02 -1.26 -4.41 118.70 110.20 1pf3 s GLU 97 Ca 0.21 2.21 -0.04 0.00 0.02 0.00 0.00 54.97 57.37 1pf3 s GLU 97 Cb -0.03 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 32.05 1pf3 s GLU 97 CO 0.08 -1.31 0.50 -0.08 0.02 0.00 0.00 175.26 174.47 1pf3 s THR 98 N -1.32 0.00 0.13 3.63 -1.32 -1.16 -4.95 115.64 110.65 1pf3 s THR 98 Ca 0.74 -1.53 -0.01 0.00 -1.21 0.00 0.00 61.69 59.68 1pf3 s THR 98 Cb -0.40 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 1pf3 s THR 98 CO 0.46 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 173.35 1pf3 s THR 99 N -3.05 0.11 -0.21 5.08 -4.23 -1.26 -0.83 115.64 111.25 1pf3 s THR 99 Ca 0.29 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1pf3 s THR 99 Cb -0.01 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 71.84 1pf3 s THR 99 CO 0.19 -0.46 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.56 1pf3 s LEU 100 N -3.05 1.95 -0.12 4.79 0.20 -1.25 -3.45 118.68 117.74 1pf3 s LEU 100 Ca 0.24 -0.97 -0.04 0.00 0.69 0.00 0.00 54.13 54.05 1pf3 s LEU 100 Cb 0.07 -0.94 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 1pf3 s LEU 100 CO 0.02 -0.25 0.02 -2.28 -0.29 0.00 0.00 176.35 173.57 1pf3 s HIS 101 N 1.59 3.20 -0.82 5.38 5.65 -0.33 -3.89 115.29 126.06 1pf3 s HIS 101 Ca -0.03 0.12 -0.14 0.00 0.25 0.00 0.00 55.06 55.27 1pf3 s HIS 101 Cb -0.18 -1.89 0.22 0.00 -1.18 0.00 0.00 32.58 29.55 1pf3 s HIS 101 CO -0.07 0.35 0.76 -1.58 -0.65 0.00 0.00 174.74 173.55 1pf3 s TRP 102 N -0.43 3.76 -0.12 3.88 0.52 -1.24 -1.76 118.94 123.54 1pf3 s TRP 102 Ca 0.08 -2.02 -0.29 0.00 0.02 0.00 0.00 56.10 53.89 1pf3 s TRP 102 Cb -0.12 -3.80 -0.04 0.00 -1.15 0.00 0.00 33.47 28.35 1pf3 s TRP 102 CO 0.02 -0.99 1.64 -1.58 0.02 0.00 0.00 176.95 176.07 1pf3 s HIS 103 N 0.15 2.03 0.00 -1.98 2.46 0.94 -2.04 115.29 116.84 1pf3 s HIS 103 Ca 0.18 0.36 0.00 0.00 0.47 0.00 0.00 55.06 56.07 1pf3 s HIS 103 Cb -0.10 -3.92 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1pf3 s HIS 103 CO -0.09 -3.44 0.00 0.41 -2.47 0.00 0.00 174.74 169.15 1pf3 n GLY 104 N 4.35 0.16 3.73 1.59 0.00 -1.26 -2.03 105.19 111.73 1pf3 n GLY 104 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1pf3 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pf3 s LEU 105 N 0.00 4.36 -0.95 0.99 1.02 -0.87 -4.83 118.68 118.41 1pf3 s LEU 105 Ca 0.00 1.26 -0.19 0.00 0.02 0.00 0.00 54.13 55.22 1pf3 s LEU 105 Cb 0.00 -3.11 0.12 0.00 0.02 0.00 0.00 46.19 43.22 1pf3 s LEU 105 CO 0.00 -0.06 1.18 -1.61 0.02 0.00 0.00 176.35 175.88 1pf3 s GLU 106 N 0.48 3.61 0.08 1.70 2.02 -1.26 -4.18 118.70 121.14 1pf3 s GLU 106 Ca 0.37 -1.68 0.02 0.00 0.02 0.00 0.00 54.97 53.70 1pf3 s GLU 106 Cb -0.19 -4.98 -0.04 0.00 0.10 0.00 0.00 34.13 29.02 1pf3 s GLU 106 CO 0.19 -1.84 -0.07 0.14 0.02 0.00 0.00 175.26 173.71 1pf3 s VAL 107 N 3.00 0.60 0.86 2.63 -7.23 -1.26 -4.66 120.40 114.33 1pf3 s VAL 107 Ca 0.35 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1pf3 s VAL 107 Cb -0.04 -1.32 0.10 0.00 0.56 0.00 0.00 36.38 35.68 1pf3 s VAL 107 CO -0.09 -0.73 1.12 -2.65 -0.31 0.00 0.00 175.10 172.43 1pf3 n PRO 108 N 0.46 -0.08 -0.07 4.82 -0.02 -1.26 -4.79 135.00 134.06 1pf3 n PRO 108 Ca -0.16 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.49 1pf3 n PRO 108 Cb 0.59 -2.36 0.51 0.00 -0.02 0.00 0.00 33.50 32.21 1pf3 n PRO 108 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1pf3 h GLY 109 N -1.29 0.54 1.96 -1.23 0.00 -1.35 -1.87 103.07 99.83 1pf3 h GLY 109 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1pf3 h GLY 109 CO 0.43 0.10 0.02 0.83 0.00 0.00 0.00 176.54 177.92 1pf3 h GLU 110 N 0.39 0.00 -0.11 4.80 3.07 -1.83 -2.35 114.58 118.55 1pf3 h GLU 110 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1pf3 h GLU 110 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1pf3 h GLU 110 CO -0.07 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.87 1pf3 n VAL 111 N -3.80 1.02 0.23 3.13 0.24 -0.72 -4.72 118.33 113.71 1pf3 n VAL 111 Ca -0.03 -1.03 0.12 0.00 -2.04 0.00 0.00 64.34 61.37 1pf3 n VAL 111 Cb 0.10 0.48 0.33 0.00 -1.47 0.00 0.00 33.84 33.29 1pf3 n VAL 111 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1pf3 h ASP 112 N 0.67 0.00 -1.59 -1.34 3.58 -1.20 -3.45 116.42 113.09 1pf3 h ASP 112 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1pf3 h ASP 112 Cb 0.59 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1pf3 h ASP 112 CO 0.00 0.08 -0.28 0.61 -2.88 0.00 0.00 179.24 176.76 1pf3 n GLY 113 N 0.71 -0.09 0.58 -0.78 0.00 -1.25 -3.66 105.19 100.70 1pf3 n GLY 113 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1pf3 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pf3 n GLY 114 N -1.01 -2.41 0.34 -0.02 0.00 -1.26 -3.40 105.19 97.42 1pf3 n GLY 114 Ca -0.13 -1.47 0.22 0.00 0.00 0.00 0.00 46.02 44.64 1pf3 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pf3 h PRO 115 N 0.00 0.00 0.00 1.61 0.13 -1.91 0.92 132.00 132.75 1pf3 h PRO 115 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1pf3 h PRO 115 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1pf3 h PRO 115 CO 0.04 0.00 -0.02 1.04 -0.23 0.00 0.00 178.00 178.84 1pf3 n GLN 116 N -3.13 0.10 -1.36 0.86 6.02 -1.26 -4.33 117.38 114.28 1pf3 n GLN 116 Ca -0.03 0.08 -0.28 0.00 -0.01 0.00 0.00 57.00 56.76 1pf3 n GLN 116 Cb 0.08 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.65 1pf3 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pf3 n GLY 117 N 1.43 4.01 3.76 1.08 0.00 0.32 -4.97 105.19 110.82 1pf3 n GLY 117 Ca 0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1pf3 n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pf3 s ILE 118 N 0.41 2.40 -0.23 -0.61 -1.09 -1.26 -4.43 121.20 116.39 1pf3 s ILE 118 Ca 0.64 0.37 0.02 0.00 -2.23 0.00 0.00 60.65 59.45 1pf3 s ILE 118 Cb 0.26 -3.23 0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1pf3 s ILE 118 CO -0.08 0.07 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.93 1pf3 s ILE 119 N -0.49 2.11 0.60 2.92 1.01 -0.01 -4.99 121.20 122.35 1pf3 s ILE 119 Ca 0.57 -1.36 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 1pf3 s ILE 119 Cb -0.44 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1pf3 s ILE 119 CO 0.51 0.19 1.17 -2.84 0.00 0.00 0.00 174.94 173.97 1pf3 s PRO 120 N 1.18 2.97 0.06 2.79 0.02 -1.26 -3.01 135.00 137.76 1pf3 s PRO 120 Ca -0.04 1.71 -0.33 0.00 0.02 0.00 0.00 61.00 62.36 1pf3 s PRO 120 Cb -0.17 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 1pf3 s PRO 120 CO -0.08 -1.17 1.77 -0.35 -0.33 0.00 0.00 177.00 176.84 1pf3 n PRO 121 N -1.72 2.37 -0.93 5.54 -0.04 -1.26 -0.87 135.00 138.09 1pf3 n PRO 121 Ca 0.13 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 1pf3 n PRO 121 Cb 0.50 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1pf3 n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pf3 n GLY 122 N 4.04 0.84 3.69 0.55 0.00 0.88 -5.02 105.19 110.17 1pf3 n GLY 122 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1pf3 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pf3 n GLY 123 N -2.26 2.18 2.89 -0.02 0.00 -0.05 -4.89 105.19 103.03 1pf3 n GLY 123 Ca 0.00 -2.24 -0.15 0.00 0.00 0.00 0.00 46.02 43.63 1pf3 n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pf3 s LYS 124 N -4.40 0.23 -0.00 1.61 2.20 -1.26 -1.21 119.74 116.90 1pf3 s LYS 124 Ca 0.50 -0.05 0.05 0.00 -0.36 0.00 0.00 55.97 56.10 1pf3 s LYS 124 Cb -0.04 -0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.00 1pf3 s LYS 124 CO 0.32 0.01 -0.15 1.03 -0.36 0.00 0.00 175.35 176.20 1pf3 s ARG 125 N 0.20 1.15 -0.05 4.03 1.81 -0.32 -4.97 118.95 120.81 1pf3 s ARG 125 Ca -0.02 -0.55 0.04 0.00 -1.72 0.00 0.00 55.73 53.48 1pf3 s ARG 125 Cb -0.04 -1.12 -0.03 0.00 -0.45 0.00 0.00 34.95 33.31 1pf3 s ARG 125 CO -0.01 0.30 -0.15 -1.12 -0.68 0.00 0.00 175.30 173.65 1pf3 s SER 126 N -0.43 3.97 0.04 0.23 0.01 -1.26 -0.56 113.70 115.70 1pf3 s SER 126 Ca 0.05 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1pf3 s SER 126 Cb -0.06 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.33 1pf3 s SER 126 CO -0.00 0.34 -0.13 0.68 0.41 0.00 0.00 173.24 174.54 1pf3 s VAL 127 N -0.73 1.02 -0.21 3.43 -7.23 -0.58 -4.98 120.40 111.12 1pf3 s VAL 127 Ca 0.11 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 1pf3 s VAL 127 Cb -0.11 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 1pf3 s VAL 127 CO 0.01 -0.07 0.00 -0.89 -0.31 0.00 0.00 175.10 173.84 1pf3 s THR 128 N -0.94 3.92 -0.29 5.32 2.01 -1.26 -0.70 115.64 123.70 1pf3 s THR 128 Ca -0.00 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1pf3 s THR 128 Cb -0.08 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1pf3 s THR 128 CO 0.01 0.42 0.11 -0.76 -0.69 0.00 0.00 174.62 173.71 1pf3 s LEU 129 N 1.11 3.83 -0.62 4.42 1.43 0.22 -4.95 118.68 124.12 1pf3 s LEU 129 Ca 0.02 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1pf3 s LEU 129 Cb -0.14 -1.96 0.15 0.00 0.03 0.00 0.00 46.19 44.27 1pf3 s LEU 129 CO 0.01 -0.14 0.59 0.20 0.23 0.00 0.00 176.35 177.25 1pf3 s ASN 130 N 1.60 6.33 -0.16 2.29 0.01 -1.26 -1.33 114.94 122.41 1pf3 s ASN 130 Ca 0.05 -1.98 -0.29 0.00 -0.71 0.00 0.00 52.86 49.92 1pf3 s ASN 130 Cb -0.16 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1pf3 s ASN 130 CO 0.05 -0.81 1.23 -0.69 -1.51 0.00 0.00 177.10 175.36 1pf3 s VAL 131 N 1.35 4.33 -0.39 1.60 1.01 -1.00 -4.93 120.40 122.37 1pf3 s VAL 131 Ca 0.08 1.61 0.11 0.00 0.00 0.00 0.00 61.98 63.77 1pf3 s VAL 131 Cb -0.24 -4.04 0.35 0.00 0.00 0.00 0.00 36.38 32.44 1pf3 s VAL 131 CO 0.00 -0.13 0.80 -0.67 0.00 0.00 0.00 175.10 175.11 1pf3 n ASP 132 N 6.44 0.25 -3.65 3.32 2.03 -1.26 -0.35 116.55 123.33 1pf3 n ASP 132 Ca 0.13 -3.13 -0.10 0.00 0.52 0.00 0.00 54.79 52.21 1pf3 n ASP 132 Cb 0.45 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 1pf3 n ASP 132 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pf3 s GLN 133 N -1.94 1.43 0.91 -0.67 -2.07 -1.26 -4.98 119.66 111.08 1pf3 s GLN 133 Ca 0.37 -0.74 -0.12 0.00 -1.82 0.00 0.00 55.36 53.05 1pf3 s GLN 133 Cb 0.34 0.57 0.14 0.00 -1.09 0.00 0.00 33.01 32.96 1pf3 s GLN 133 CO -0.07 -0.62 1.09 -2.14 -1.32 0.00 0.00 175.29 172.22 1pf3 s PRO 134 N -3.84 1.15 0.29 9.60 0.02 -1.26 -4.70 135.00 136.26 1pf3 s PRO 134 Ca 0.06 0.84 -0.29 0.00 0.02 0.00 0.00 61.00 61.63 1pf3 s PRO 134 Cb -0.02 -1.79 -0.14 0.00 0.02 0.00 0.00 34.50 32.57 1pf3 s PRO 134 CO -0.05 -2.32 1.17 0.00 -0.33 0.00 0.00 177.00 175.47 1pf3 n ALA 135 N -3.94 0.39 -3.56 -1.55 0.00 -1.26 -4.86 120.51 105.74 1pf3 n ALA 135 Ca 0.07 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 1pf3 n ALA 135 Cb 0.55 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 1pf3 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pf3 s ALA 136 N -0.84 -1.97 -0.38 0.00 0.00 -0.95 -3.96 121.76 113.66 1pf3 s ALA 136 Ca 0.60 1.36 -0.15 0.00 0.00 0.00 0.00 51.96 53.77 1pf3 s ALA 136 Cb -0.67 0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.54 1pf3 s ALA 136 CO 0.58 -0.63 0.32 0.99 0.00 0.00 0.00 175.76 177.03 1pf3 s THR 137 N -2.68 5.22 0.09 0.00 2.01 -1.26 -0.90 115.64 118.12 1pf3 s THR 137 Ca 0.07 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1pf3 s THR 137 Cb -0.01 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1pf3 s THR 137 CO -0.06 -0.22 0.07 0.00 -0.69 0.00 0.00 174.62 173.72 1pf3 s TRP 139 N -0.38 0.13 0.03 0.00 1.48 -0.86 -1.45 118.94 117.88 1pf3 s TRP 139 Ca 0.05 -0.54 0.01 0.00 -1.06 0.00 0.00 56.10 54.57 1pf3 s TRP 139 Cb -0.00 0.42 -0.02 0.00 -1.16 0.00 0.00 33.47 32.71 1pf3 s TRP 139 CO 0.03 -1.11 -0.05 -0.59 -4.06 0.00 0.00 176.95 171.18 1pf3 s PHE 140 N -3.95 0.43 0.09 1.66 -0.71 -0.30 -0.04 117.98 115.17 1pf3 s PHE 140 Ca 0.18 -0.45 -0.27 0.00 -1.04 0.00 0.00 56.93 55.35 1pf3 s PHE 140 Cb -0.03 -0.28 0.08 0.00 -1.21 0.00 0.00 43.02 41.58 1pf3 s PHE 140 CO 0.08 -0.12 0.98 -3.38 -1.34 0.00 0.00 175.22 171.45 1pf3 s HIS 141 N -1.23 -0.17 0.70 3.49 -3.43 -0.72 -1.05 115.29 112.88 1pf3 s HIS 141 Ca -0.11 -0.07 -0.15 0.00 -0.80 0.00 0.00 55.06 53.93 1pf3 s HIS 141 Cb -0.09 0.60 0.02 0.00 -1.43 0.00 0.00 32.58 31.69 1pf3 s HIS 141 CO -0.00 -0.69 1.15 -1.25 -2.00 0.00 0.00 174.74 171.94 1pf3 s PRO 142 N -3.14 2.46 -0.09 -0.38 0.04 -1.26 -1.19 135.00 131.44 1pf3 s PRO 142 Ca 0.11 1.53 0.22 0.00 0.04 0.00 0.00 61.00 62.90 1pf3 s PRO 142 Cb -0.01 -1.90 0.44 0.00 0.04 0.00 0.00 34.50 33.08 1pf3 s PRO 142 CO -0.01 -1.54 1.17 1.58 0.04 0.00 0.00 177.00 178.24 1pf3 n HIS 143 N -2.64 0.31 -1.77 0.56 -0.00 -1.22 -4.81 115.22 105.65 1pf3 n HIS 143 Ca 0.12 -1.02 -0.41 0.00 0.46 0.00 0.00 57.72 56.87 1pf3 n HIS 143 Cb 0.51 -0.19 -0.01 0.00 -0.12 0.00 0.00 29.99 30.18 1pf3 n HIS 143 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1pf3 s GLN 144 N -1.37 4.11 -0.01 1.57 2.00 -1.26 -3.35 119.66 121.34 1pf3 s GLN 144 Ca 0.35 2.59 -0.32 0.00 -2.00 0.00 0.00 55.36 55.97 1pf3 s GLN 144 Cb 0.38 -3.00 -0.11 0.00 0.80 0.00 0.00 33.01 31.08 1pf3 s GLN 144 CO -0.12 -0.61 1.90 1.58 -0.50 0.00 0.00 175.29 177.54 1pf3 n HIS 145 N 1.55 2.42 -0.63 1.67 -0.00 -1.26 -1.94 115.22 117.03 1pf3 n HIS 145 Ca 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1pf3 n HIS 145 Cb 0.38 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.65 1pf3 n HIS 145 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pf3 n GLY 146 N 4.41 1.12 0.04 1.57 0.00 -1.26 -4.77 105.19 106.30 1pf3 n GLY 146 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1pf3 n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pf3 n LYS 147 N -2.00 1.11 -0.23 1.61 5.02 -0.82 -4.85 118.16 118.00 1pf3 n LYS 147 Ca 0.00 -1.00 -0.07 0.00 -2.02 0.00 0.00 58.31 55.22 1pf3 n LYS 147 Cb 0.00 -0.73 0.04 0.00 -0.02 0.00 0.00 35.03 34.32 1pf3 n LYS 147 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1pf3 h THR 148 N 2.12 1.25 -0.43 -0.18 2.02 -1.80 -1.61 112.91 114.28 1pf3 h THR 148 Ca 0.00 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.38 1pf3 h THR 148 Cb 0.86 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1pf3 h THR 148 CO 0.00 0.32 0.20 1.23 0.37 0.00 0.00 175.52 177.64 1pf3 h GLY 149 N 0.92 0.58 1.03 2.16 0.00 -1.89 -1.69 103.07 104.19 1pf3 h GLY 149 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1pf3 h GLY 149 CO -0.01 0.08 0.21 -0.09 0.00 0.00 0.00 176.54 176.73 1pf3 h ARG 150 N 0.40 1.05 -0.25 4.80 2.43 -1.83 -0.69 114.38 120.30 1pf3 h ARG 150 Ca 0.19 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1pf3 h ARG 150 Cb 0.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1pf3 h ARG 150 CO -0.15 0.92 -0.41 1.96 -1.51 0.00 0.00 179.97 180.78 1pf3 h GLN 151 N 0.99 0.58 -0.21 0.20 4.20 -1.03 -0.54 115.11 119.30 1pf3 h GLN 151 Ca 0.22 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1pf3 h GLN 151 Cb 0.30 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1pf3 h GLN 151 CO -0.01 0.89 -0.13 0.28 -0.67 0.00 0.00 178.83 179.19 1pf3 h VAL 152 N 0.48 1.31 -0.46 -0.54 2.07 -1.26 -2.97 116.25 114.88 1pf3 h VAL 152 Ca 0.04 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1pf3 h VAL 152 Cb 0.91 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1pf3 h VAL 152 CO 0.08 0.38 0.31 0.00 0.02 0.00 0.00 177.57 178.35 1pf3 h ALA 153 N 0.68 1.77 0.00 1.67 0.00 -0.76 -1.68 119.26 120.94 1pf3 h ALA 153 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pf3 h ALA 153 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pf3 h ALA 153 CO 0.04 0.18 0.00 0.52 0.00 0.00 0.00 179.25 179.99 1pf3 h MET 154 N 0.53 0.00 0.00 0.00 2.07 -1.07 -3.46 114.93 113.00 1pf3 h MET 154 Ca 0.18 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.81 1pf3 h MET 154 Cb 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 1pf3 h MET 154 CO -0.05 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.34 1pf3 n GLY 155 N 0.13 0.21 3.62 8.32 0.00 -0.63 -0.77 105.19 116.07 1pf3 n GLY 155 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1pf3 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pf3 s LEU 156 N 0.00 3.81 -0.18 0.99 1.43 -1.13 -0.40 118.68 123.20 1pf3 s LEU 156 Ca 0.00 1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.81 1pf3 s LEU 156 Cb 0.00 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.80 1pf3 s LEU 156 CO 0.00 -1.12 0.96 0.00 0.23 0.00 0.00 176.35 176.42 1pf3 s ALA 157 N 4.39 -1.92 0.31 4.21 0.00 -1.26 -4.47 121.76 123.02 1pf3 s ALA 157 Ca 0.53 1.64 0.01 0.00 0.00 0.00 0.00 51.96 54.15 1pf3 s ALA 157 Cb -0.14 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1pf3 s ALA 157 CO 0.24 -0.30 0.34 0.20 0.00 0.00 0.00 175.76 176.24 1pf3 s GLY 158 N -0.72 1.80 0.21 0.00 0.00 -0.22 -1.80 107.32 106.58 1pf3 s GLY 158 Ca -0.01 -1.75 0.09 0.00 0.00 0.00 0.00 44.72 43.04 1pf3 s GLY 158 CO 0.01 -1.25 -0.05 1.08 0.00 0.00 0.00 173.10 172.89 1pf3 s LEU 159 N -3.27 3.09 -0.10 0.66 1.43 -0.93 -1.15 118.68 118.41 1pf3 s LEU 159 Ca 0.36 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1pf3 s LEU 159 Cb 0.02 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1pf3 s LEU 159 CO 0.22 0.06 -0.13 -0.69 0.23 0.00 0.00 176.35 176.04 1pf3 s VAL 160 N -1.96 1.30 -0.37 -1.59 1.01 -0.53 -0.73 120.40 117.53 1pf3 s VAL 160 Ca 0.28 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1pf3 s VAL 160 Cb -0.08 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.14 1pf3 s VAL 160 CO 0.17 0.40 0.15 -0.69 0.00 0.00 0.00 175.10 175.14 1pf3 s VAL 161 N 1.14 3.75 -0.17 2.92 1.01 0.51 -0.74 120.40 128.83 1pf3 s VAL 161 Ca -0.04 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 1pf3 s VAL 161 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1pf3 s VAL 161 CO -0.03 -0.34 0.41 -0.63 0.00 0.00 0.00 175.10 174.51 1pf3 s ILE 162 N 1.35 5.21 0.22 2.22 1.01 -0.08 -0.65 121.20 130.49 1pf3 s ILE 162 Ca 0.01 0.78 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1pf3 s ILE 162 Cb -0.21 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1pf3 s ILE 162 CO 0.01 0.30 0.04 -1.61 0.00 0.00 0.00 174.94 173.68 1pf3 s GLU 163 N 0.93 2.47 0.31 2.79 0.41 0.14 -2.25 118.70 123.51 1pf3 s GLU 163 Ca 0.21 -1.20 0.01 0.00 -0.41 0.00 0.00 54.97 53.58 1pf3 s GLU 163 Cb -0.14 -2.33 -0.02 0.00 -1.78 0.00 0.00 34.13 29.86 1pf3 s GLU 163 CO 0.08 0.42 0.36 0.16 -0.49 0.00 0.00 175.26 175.78 1pf3 s ASP 164 N -3.36 1.03 0.25 -0.19 1.47 -1.26 -1.40 116.67 113.20 1pf3 s ASP 164 Ca 0.30 -1.54 0.02 0.00 1.18 0.00 0.00 52.55 52.51 1pf3 s ASP 164 Cb -0.08 0.58 0.30 0.00 -0.34 0.00 0.00 42.92 43.38 1pf3 s ASP 164 CO 0.20 -1.14 1.62 0.44 0.68 0.00 0.00 175.17 176.98 1pf3 h ASP 165 N 2.20 0.43 -0.61 2.11 3.32 -2.00 -3.25 116.42 118.62 1pf3 h ASP 165 Ca -0.28 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1pf3 h ASP 165 Cb 1.24 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 1pf3 h ASP 165 CO 0.40 0.82 0.27 -0.08 -1.72 0.00 0.00 179.24 178.92 1pf3 h GLU 166 N 0.34 0.89 -0.15 3.56 4.22 -2.00 -3.14 114.58 118.29 1pf3 h GLU 166 Ca 0.03 -0.15 -0.17 0.00 0.08 0.00 0.00 59.36 59.15 1pf3 h GLU 166 Cb 0.90 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1pf3 h GLU 166 CO 0.08 0.74 -0.60 0.97 -2.18 0.00 0.00 179.01 178.02 1pf3 h ILE 167 N 0.84 1.33 -0.74 2.32 2.10 -1.92 -3.12 117.51 118.32 1pf3 h ILE 167 Ca 0.21 -1.88 0.08 0.00 1.08 0.00 0.00 64.86 64.35 1pf3 h ILE 167 Cb 0.16 1.86 -0.05 0.00 -1.09 0.00 0.00 36.82 37.70 1pf3 h ILE 167 CO -0.02 0.58 0.49 -0.07 -1.08 0.00 0.00 178.15 178.04 1pf3 h LEU 168 N 0.38 0.63 -0.76 2.19 3.38 -1.59 -1.88 115.31 117.66 1pf3 h LEU 168 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pf3 h LEU 168 Cb 1.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pf3 h LEU 168 CO 0.11 0.39 0.00 0.29 0.09 0.00 0.00 178.44 179.32 1pf3 n LYS 169 N -4.49 0.18 0.22 1.13 5.02 -1.18 -2.76 118.16 116.29 1pf3 n LYS 169 Ca 0.12 0.44 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1pf3 n LYS 169 Cb 0.29 -1.87 0.21 0.00 -0.02 0.00 0.00 35.03 33.64 1pf3 n LYS 169 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1pf3 h LEU 170 N 0.00 0.00 -1.10 -0.35 3.38 -1.47 -3.48 115.31 112.29 1pf3 h LEU 170 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1pf3 h LEU 170 Cb 0.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.09 1pf3 h LEU 170 CO 0.00 0.00 -0.75 0.23 0.09 0.00 0.00 178.44 178.01 1pf3 n MET 171 N -3.08 -5.97 -0.74 1.13 2.81 -1.11 -4.73 117.12 105.43 1pf3 n MET 171 Ca 0.04 0.66 -0.30 0.00 -1.81 0.00 0.00 57.70 56.28 1pf3 n MET 171 Cb 0.51 -5.53 0.18 0.00 -0.71 0.00 0.00 33.22 27.67 1pf3 n MET 171 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1pf3 s LEU 172 N -7.17 2.37 0.17 4.03 1.43 -1.26 -0.99 118.68 117.27 1pf3 s LEU 172 Ca 0.52 1.97 -0.34 0.00 -1.03 0.00 0.00 54.13 55.26 1pf3 s LEU 172 Cb -0.26 -4.27 -0.14 0.00 0.03 0.00 0.00 46.19 41.55 1pf3 s LEU 172 CO 0.80 -3.24 1.50 -2.65 0.23 0.00 0.00 176.35 172.99 1pf3 n PRO 173 N -4.31 1.97 -0.23 1.29 -0.02 -1.26 -4.63 135.00 127.81 1pf3 n PRO 173 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1pf3 n PRO 173 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1pf3 n PRO 173 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1pf3 n LYS 174 N 2.94 0.00 -2.84 -0.52 2.85 -1.26 -4.69 118.16 114.64 1pf3 n LYS 174 Ca 0.16 -0.43 -0.43 0.00 -1.05 0.00 0.00 58.31 56.55 1pf3 n LYS 174 Cb 0.28 -0.30 -0.04 0.00 -0.65 0.00 0.00 35.03 34.32 1pf3 n LYS 174 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pf3 s GLN 175 N 0.00 3.18 0.15 -1.58 -1.52 -1.26 -4.88 119.66 113.74 1pf3 s GLN 175 Ca 0.00 -0.63 -0.33 0.00 -1.95 0.00 0.00 55.36 52.45 1pf3 s GLN 175 Cb 0.00 -4.17 -0.13 0.00 -0.22 0.00 0.00 33.01 28.49 1pf3 s GLN 175 CO 0.00 -1.72 1.68 1.87 -0.25 0.00 0.00 175.29 176.87 1pf3 n TRP 176 N 7.69 2.46 -0.47 0.91 -0.00 -1.26 -1.35 117.44 125.42 1pf3 n TRP 176 Ca -0.02 0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.60 1pf3 n TRP 176 Cb 0.46 -2.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.15 1pf3 n TRP 176 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1pf3 n GLY 177 N 3.77 1.47 0.64 5.87 0.00 -0.30 -4.84 105.19 111.80 1pf3 n GLY 177 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1pf3 n GLY 177 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pf3 n ILE 178 N -2.00 0.00 0.25 -0.61 5.41 -0.46 -4.92 119.36 117.04 1pf3 n ILE 178 Ca 0.00 0.02 0.05 0.00 1.00 0.00 0.00 62.75 63.81 1pf3 n ILE 178 Cb 0.00 -0.86 0.06 0.00 -0.71 0.00 0.00 39.64 38.13 1pf3 n ILE 178 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1pf3 n ASP 179 N -2.01 2.01 -3.78 4.38 5.75 -0.90 -4.65 116.55 117.34 1pf3 n ASP 179 Ca 0.00 -1.53 -0.29 0.00 -0.01 0.00 0.00 54.79 52.96 1pf3 n ASP 179 Cb 0.00 -0.05 -0.16 0.00 -1.03 0.00 0.00 41.12 39.88 1pf3 n ASP 179 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1pf3 s ASP 180 N -0.82 3.27 -0.01 -1.12 2.15 -0.94 -0.68 116.67 118.51 1pf3 s ASP 180 Ca 0.13 -1.00 0.00 0.00 0.43 0.00 0.00 52.55 52.11 1pf3 s ASP 180 Cb 0.08 -0.77 0.01 0.00 -0.30 0.00 0.00 42.92 41.95 1pf3 s ASP 180 CO 0.12 -0.30 0.00 0.54 -0.17 0.00 0.00 175.17 175.36 1pf3 s VAL 181 N 1.72 0.07 0.38 1.11 0.11 -0.48 -1.15 120.40 122.16 1pf3 s VAL 181 Ca -0.01 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.85 1pf3 s VAL 181 Cb -0.18 -0.12 -0.10 0.00 -1.53 0.00 0.00 36.38 34.45 1pf3 s VAL 181 CO -0.09 0.07 0.96 -2.16 -3.33 0.00 0.00 175.10 170.54 1pf3 s PRO 182 N 0.47 4.38 -0.36 1.54 0.04 -1.26 -1.16 135.00 138.65 1pf3 s PRO 182 Ca -0.04 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.26 1pf3 s PRO 182 Cb -0.06 -2.50 0.13 0.00 0.04 0.00 0.00 34.50 32.10 1pf3 s PRO 182 CO -0.01 0.09 0.19 0.08 0.04 0.00 0.00 177.00 177.39 1pf3 s VAL 183 N -1.86 0.46 -0.38 -0.36 1.01 0.14 -4.86 120.40 114.54 1pf3 s VAL 183 Ca 0.56 -1.71 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 1pf3 s VAL 183 Cb -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1pf3 s VAL 183 CO 0.20 -0.90 0.42 -0.63 0.00 0.00 0.00 175.10 174.19 1pf3 s ILE 184 N 1.13 5.10 -0.15 2.22 1.01 -1.26 -1.27 121.20 127.98 1pf3 s ILE 184 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 1pf3 s ILE 184 Cb -0.22 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1pf3 s ILE 184 CO -0.08 -0.26 -0.06 -0.69 0.00 0.00 0.00 174.94 173.85 1pf3 s VAL 185 N 2.15 3.65 -0.06 2.92 1.01 -0.47 -0.91 120.40 128.69 1pf3 s VAL 185 Ca 0.13 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1pf3 s VAL 185 Cb -0.16 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1pf3 s VAL 185 CO 0.13 0.50 0.27 -1.10 0.00 0.00 0.00 175.10 174.91 1pf3 s GLN 186 N 0.33 0.48 0.17 2.72 -0.21 -0.60 -1.18 119.66 121.37 1pf3 s GLN 186 Ca -0.06 0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.42 1pf3 s GLN 186 Cb -0.15 0.22 -0.04 0.00 1.00 0.00 0.00 33.01 34.05 1pf3 s GLN 186 CO 0.04 -0.10 0.24 0.16 -2.12 0.00 0.00 175.29 173.51 1pf3 s ASP 187 N -0.63 6.06 0.08 5.90 -4.77 -1.26 -0.06 116.67 121.99 1pf3 s ASP 187 Ca -0.07 0.05 -0.05 0.00 -3.30 0.00 0.00 52.55 49.18 1pf3 s ASP 187 Cb -0.04 -1.75 -0.02 0.00 -1.09 0.00 0.00 42.92 40.02 1pf3 s ASP 187 CO 0.02 0.04 0.09 -0.54 0.70 0.00 0.00 175.17 175.48 1pf3 s LYS 188 N -3.30 0.77 0.15 2.11 1.02 -0.33 -4.75 119.74 115.41 1pf3 s LYS 188 Ca 0.33 -1.12 0.07 0.00 0.02 0.00 0.00 55.97 55.27 1pf3 s LYS 188 Cb -0.10 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1pf3 s LYS 188 CO 0.27 -0.21 -0.15 -1.59 -0.92 0.00 0.00 175.35 172.75 1pf3 s LYS 189 N -3.91 1.14 0.03 1.68 -2.85 -1.26 -2.13 119.74 112.44 1pf3 s LYS 189 Ca 0.08 -1.35 0.04 0.00 -1.00 0.00 0.00 55.97 53.74 1pf3 s LYS 189 Cb 0.06 -1.04 -0.02 0.00 -2.06 0.00 0.00 37.83 34.78 1pf3 s LYS 189 CO -0.09 0.20 -0.13 -0.06 0.10 0.00 0.00 175.35 175.36 1pf3 s PHE 190 N -2.31 1.16 0.84 1.78 0.08 -1.26 -1.27 117.98 117.01 1pf3 s PHE 190 Ca 0.13 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1pf3 s PHE 190 Cb -0.04 -0.70 0.10 0.00 -0.57 0.00 0.00 43.02 41.81 1pf3 s PHE 190 CO 0.04 0.02 1.13 -1.54 -0.10 0.00 0.00 175.22 174.77 1pf3 s SER 191 N -0.96 4.11 0.41 1.36 1.04 0.19 -4.80 113.70 115.04 1pf3 s SER 191 Ca 0.02 1.06 0.17 0.00 0.48 0.00 0.00 55.95 57.68 1pf3 s SER 191 Cb -0.07 -1.70 1.07 0.00 0.10 0.00 0.00 66.02 65.42 1pf3 s SER 191 CO 0.01 -2.18 1.85 0.00 0.98 0.00 0.00 173.24 173.89 1pf3 h ALA 192 N -1.24 2.19 0.00 5.32 0.00 -2.01 -0.31 119.26 123.21 1pf3 h ALA 192 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pf3 h ALA 192 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pf3 h ALA 192 CO 0.62 -0.48 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 1pf3 n ASP 193 N -4.53 0.00 0.00 0.00 5.75 -1.26 -4.88 116.55 111.63 1pf3 n ASP 193 Ca 0.20 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 1pf3 n ASP 193 Cb 0.71 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1pf3 n ASP 193 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pf3 n GLY 194 N 0.33 1.23 3.80 6.12 0.00 -0.13 -4.90 105.19 111.65 1pf3 n GLY 194 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1pf3 n GLY 194 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pf3 s GLN 195 N -0.57 3.79 0.20 1.61 -1.52 -1.26 -4.33 119.66 117.58 1pf3 s GLN 195 Ca 0.00 1.32 -0.32 0.00 -1.95 0.00 0.00 55.36 54.41 1pf3 s GLN 195 Cb 0.00 -2.10 -0.12 0.00 -0.22 0.00 0.00 33.01 30.57 1pf3 s GLN 195 CO 0.00 -0.43 1.71 -0.89 -0.25 0.00 0.00 175.29 175.42 1pf3 n ILE 196 N -1.05 0.02 -3.44 1.08 5.41 -1.26 -0.64 119.36 119.47 1pf3 n ILE 196 Ca 0.09 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 1pf3 n ILE 196 Cb 0.53 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.51 1pf3 n ILE 196 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pf3 s ASP 197 N 1.19 6.75 -0.19 4.38 2.15 -0.39 -4.75 116.67 125.80 1pf3 s ASP 197 Ca 0.76 -3.46 -0.08 0.00 0.43 0.00 0.00 52.55 50.20 1pf3 s ASP 197 Cb -0.53 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1pf3 s ASP 197 CO 0.33 -0.30 0.09 -0.47 -0.17 0.00 0.00 175.17 174.65 1pf3 s TYR 198 N -1.01 3.30 -0.05 -5.34 5.04 -1.26 -4.77 117.35 113.25 1pf3 s TYR 198 Ca 0.27 0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 55.03 1pf3 s TYR 198 Cb -0.10 -2.12 0.03 0.00 0.35 0.00 0.00 41.96 40.13 1pf3 s TYR 198 CO -0.09 0.18 0.12 1.14 -1.34 0.00 0.00 175.55 175.56 1pf3 s GLN 199 N 0.43 0.07 -0.51 4.97 0.00 -1.26 -5.09 119.66 118.28 1pf3 s GLN 199 Ca 0.05 0.31 -0.16 0.00 -0.00 0.00 0.00 55.36 55.55 1pf3 s GLN 199 Cb -0.12 -0.15 0.10 0.00 0.00 0.00 0.00 33.01 32.83 1pf3 s GLN 199 CO -0.00 -0.14 0.47 -1.17 0.00 0.00 0.00 175.29 174.44 1pf3 s LEU 200 N 0.98 5.82 0.00 2.60 2.96 -1.26 -4.77 118.68 125.01 1pf3 s LEU 200 Ca -0.08 -1.51 0.03 0.00 -0.22 0.00 0.00 54.13 52.36 1pf3 s LEU 200 Cb -0.10 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1pf3 s LEU 200 CO -0.05 -0.77 0.17 -0.90 -1.32 0.00 0.00 176.35 173.48 1pf3 n ASP 201 N 5.33 -0.45 -0.34 3.68 5.68 -1.26 -4.96 116.55 124.24 1pf3 n ASP 201 Ca -0.13 -2.18 -0.03 0.00 -0.50 0.00 0.00 54.79 51.95 1pf3 n ASP 201 Cb 0.42 1.00 0.09 0.00 -1.14 0.00 0.00 41.12 41.49 1pf3 n ASP 201 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1pf3 h VAL 202 N 1.58 1.24 -0.05 2.12 2.07 -1.98 0.10 116.25 121.33 1pf3 h VAL 202 Ca -0.13 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1pf3 h VAL 202 Cb 0.66 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1pf3 h VAL 202 CO 0.19 0.25 -0.01 -0.03 0.02 0.00 0.00 177.57 177.99 1pf3 h MET 203 N 1.24 0.10 0.00 1.57 1.85 -1.90 -2.78 114.93 115.00 1pf3 h MET 203 Ca 0.33 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.28 1pf3 h MET 203 Cb -0.09 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 1pf3 h MET 203 CO -0.07 0.42 -0.47 1.79 -0.40 0.00 0.00 176.91 178.19 1pf3 h THR 204 N -0.23 1.19 0.00 -0.77 1.35 -1.73 -0.19 112.91 112.53 1pf3 h THR 204 Ca 0.01 -1.68 -0.05 0.00 -0.55 0.00 0.00 66.41 64.14 1pf3 h THR 204 Cb 0.38 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 1pf3 h THR 204 CO 0.00 0.46 -0.22 0.00 -0.25 0.00 0.00 175.52 175.51 1pf3 h ALA 205 N 1.53 1.36 0.00 6.62 0.00 -0.75 0.17 119.26 128.20 1pf3 h ALA 205 Ca -0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1pf3 h ALA 205 Cb 0.91 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1pf3 h ALA 205 CO 0.06 0.28 -0.61 0.00 0.00 0.00 0.00 179.25 178.98 1pf3 h ALA 206 N 1.78 0.13 0.00 0.00 0.00 -1.09 -3.41 119.26 116.67 1pf3 h ALA 206 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1pf3 h ALA 206 Cb 0.48 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pf3 h ALA 206 CO 0.03 0.34 -0.36 1.33 0.00 0.00 0.00 179.25 180.59 1pf3 n VAL 207 N -4.52 0.00 0.00 0.00 0.24 -0.15 -5.01 118.33 108.89 1pf3 n VAL 207 Ca -0.21 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1pf3 n VAL 207 Cb 0.58 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 1pf3 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pf3 n GLY 208 N 1.20 2.46 3.66 7.63 0.00 0.61 -4.96 105.19 115.80 1pf3 n GLY 208 Ca 0.01 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1pf3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1pf3 s TRP 209 N -2.97 3.39 0.07 1.61 -0.00 -1.26 -4.52 118.94 115.25 1pf3 s TRP 209 Ca 0.00 1.23 -0.05 0.00 -0.00 0.00 0.00 56.10 57.28 1pf3 s TRP 209 Cb 0.00 -3.03 -0.02 0.00 -0.00 0.00 0.00 33.47 30.42 1pf3 s TRP 209 CO 0.00 -0.29 0.07 -0.59 -0.00 0.00 0.00 176.95 176.14 1pf3 s PHE 210 N 2.37 0.33 0.05 5.86 -0.12 -1.26 -3.90 117.98 121.32 1pf3 s PHE 210 Ca 0.37 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1pf3 s PHE 210 Cb -0.16 -0.23 -0.00 0.00 -0.63 0.00 0.00 43.02 42.00 1pf3 s PHE 210 CO 0.11 -0.45 0.03 0.41 -0.05 0.00 0.00 175.22 175.27 1pf3 n GLY 211 N 0.09 3.94 0.27 1.99 0.00 -1.26 -4.71 105.19 105.51 1pf3 n GLY 211 Ca -0.15 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.05 1pf3 n GLY 211 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pf3 n ASP 212 N -2.30 1.86 -4.12 1.61 5.75 -1.04 -4.83 116.55 113.48 1pf3 n ASP 212 Ca -0.00 -1.53 -0.31 0.00 -0.01 0.00 0.00 54.79 52.94 1pf3 n ASP 212 Cb 0.09 -0.05 -0.16 0.00 -1.03 0.00 0.00 41.12 39.97 1pf3 n ASP 212 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1pf3 s THR 213 N -0.68 1.88 -0.19 2.12 2.01 -0.91 -4.61 115.64 115.27 1pf3 s THR 213 Ca 0.09 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 1pf3 s THR 213 Cb 0.05 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1pf3 s THR 213 CO 0.07 0.51 0.12 -0.22 -0.69 0.00 0.00 174.62 174.42 1pf3 s LEU 214 N 0.98 4.15 0.01 4.42 2.96 -1.26 -1.19 118.68 128.75 1pf3 s LEU 214 Ca -0.04 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1pf3 s LEU 214 Cb -0.15 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1pf3 s LEU 214 CO -0.04 0.19 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.33 1pf3 s LEU 215 N 0.29 3.07 -0.21 -0.68 1.43 0.92 -4.37 118.68 119.12 1pf3 s LEU 215 Ca 0.07 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1pf3 s LEU 215 Cb -0.11 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1pf3 s LEU 215 CO -0.01 0.27 -0.04 -0.89 0.23 0.00 0.00 176.35 175.91 1pf3 s THR 216 N -0.99 1.31 -1.37 5.49 2.01 0.49 -1.56 115.64 121.02 1pf3 s THR 216 Ca 0.17 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 1pf3 s THR 216 Cb -0.11 -1.58 0.11 0.00 0.01 0.00 0.00 72.50 70.93 1pf3 s THR 216 CO 0.07 -0.05 0.56 0.59 -0.69 0.00 0.00 174.62 175.10 1pf3 n ASN 217 N 4.77 -3.27 0.00 3.53 3.02 -0.09 -1.73 115.26 121.48 1pf3 n ASN 217 Ca -0.12 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1pf3 n ASN 217 Cb 0.45 -2.72 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 1pf3 n ASN 217 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pf3 n GLY 218 N -1.18 1.40 3.70 7.41 0.00 -1.26 -4.58 105.19 110.67 1pf3 n GLY 218 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1pf3 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pf3 s ALA 219 N -3.11 3.31 -0.31 4.61 0.00 -0.71 -4.97 121.76 120.59 1pf3 s ALA 219 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.54 1pf3 s ALA 219 Cb 0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 1pf3 s ALA 219 CO 0.00 0.61 0.70 0.42 0.00 0.00 0.00 175.76 177.48 1pf3 s ILE 220 N -1.50 4.87 -1.05 0.00 1.01 -1.26 -0.38 121.20 122.89 1pf3 s ILE 220 Ca 0.27 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 1pf3 s ILE 220 Cb -0.11 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1pf3 s ILE 220 CO 0.19 -0.20 0.70 0.00 0.00 0.00 0.00 174.94 175.64 1pf3 n TYR 221 N 6.02 -1.87 -1.72 3.97 9.36 -1.26 -4.75 117.16 126.91 1pf3 n TYR 221 Ca 0.01 0.48 -0.29 0.00 3.32 0.00 0.00 57.90 61.42 1pf3 n TYR 221 Cb 0.48 -3.12 0.11 0.00 -0.63 0.00 0.00 39.34 36.19 1pf3 n TYR 221 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1pf3 s PRO 222 N -5.93 1.60 0.08 2.98 0.04 -1.26 -4.56 135.00 127.95 1pf3 s PRO 222 Ca 0.32 0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.63 1pf3 s PRO 222 Cb -0.15 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1pf3 s PRO 222 CO 0.90 -1.87 -0.06 1.14 0.04 0.00 0.00 177.00 177.14 1pf3 s GLN 223 N -5.43 2.33 -0.09 4.56 -2.07 0.20 -0.98 119.66 118.17 1pf3 s GLN 223 Ca 0.63 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 53.25 1pf3 s GLN 223 Cb -0.13 -2.41 0.03 0.00 -1.09 0.00 0.00 33.01 29.41 1pf3 s GLN 223 CO 0.51 0.53 -0.05 -1.58 -1.32 0.00 0.00 175.29 173.39 1pf3 s HIS 224 N -1.20 1.16 -0.05 9.60 2.46 0.41 -0.94 115.29 126.73 1pf3 s HIS 224 Ca 0.22 -0.51 -0.30 0.00 0.47 0.00 0.00 55.06 54.94 1pf3 s HIS 224 Cb -0.11 -1.05 -0.03 0.00 -0.13 0.00 0.00 32.58 31.26 1pf3 s HIS 224 CO 0.14 -0.43 1.10 0.00 -2.47 0.00 0.00 174.74 173.08 1pf3 s ALA 225 N 1.76 3.40 0.02 1.58 0.00 -1.26 -1.15 121.76 126.11 1pf3 s ALA 225 Ca 0.04 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1pf3 s ALA 225 Cb -0.13 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1pf3 s ALA 225 CO -0.07 -0.58 -0.12 0.00 0.00 0.00 0.00 175.76 174.99 1pf3 s ALA 226 N 1.80 0.98 0.65 0.00 0.00 -0.70 -4.88 121.76 119.61 1pf3 s ALA 226 Ca 0.53 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 1pf3 s ALA 226 Cb -0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1pf3 s ALA 226 CO 0.23 0.19 1.09 -1.25 0.00 0.00 0.00 175.76 176.01 1pf3 s PRO 227 N -0.82 2.94 0.18 0.00 0.04 -1.26 -0.51 135.00 135.56 1pf3 s PRO 227 Ca 0.01 1.28 -0.32 0.00 0.04 0.00 0.00 61.00 62.01 1pf3 s PRO 227 Cb -0.06 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 1pf3 s PRO 227 CO 0.01 -1.13 1.77 -2.13 0.04 0.00 0.00 177.00 175.56 1pf3 n ARG 228 N -2.43 2.79 0.00 4.56 0.63 -0.52 -4.64 116.66 117.05 1pf3 n ARG 228 Ca 0.09 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 58.03 1pf3 n ARG 228 Cb 0.52 -2.88 0.00 0.00 0.45 0.00 0.00 32.46 30.56 1pf3 n ARG 228 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pf3 n GLY 229 N 4.07 0.33 3.75 5.14 0.00 -0.36 -0.64 105.19 117.48 1pf3 n GLY 229 Ca 0.17 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1pf3 n GLY 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pf3 s TRP 230 N -1.18 3.79 -0.15 1.61 0.23 -1.26 -0.48 118.94 121.49 1pf3 s TRP 230 Ca 0.00 1.53 0.01 0.00 -2.03 0.00 0.00 56.10 55.61 1pf3 s TRP 230 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 33.47 30.68 1pf3 s TRP 230 CO 0.00 0.34 -0.16 -1.17 0.96 0.00 0.00 176.95 176.92 1pf3 s LEU 231 N -0.36 2.42 -0.23 2.99 2.96 -0.39 -4.77 118.68 121.30 1pf3 s LEU 231 Ca 0.38 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 1pf3 s LEU 231 Cb -0.21 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1pf3 s LEU 231 CO 0.24 0.08 0.29 -0.60 -1.32 0.00 0.00 176.35 175.05 1pf3 s ARG 232 N 0.81 4.11 -0.19 1.98 3.52 0.14 -1.13 118.95 128.19 1pf3 s ARG 232 Ca -0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.50 1pf3 s ARG 232 Cb -0.15 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1pf3 s ARG 232 CO -0.00 -0.03 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.85 1pf3 s LEU 233 N 1.30 2.67 -0.53 -0.88 1.43 -0.07 -1.38 118.68 121.22 1pf3 s LEU 233 Ca 0.14 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1pf3 s LEU 233 Cb -0.14 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 44.52 1pf3 s LEU 233 CO 0.07 0.04 0.57 -0.13 0.23 0.00 0.00 176.35 177.13 1pf3 s ARG 234 N 1.12 3.04 -0.11 1.70 0.52 -0.31 -1.52 118.95 123.39 1pf3 s ARG 234 Ca 0.01 -1.28 -0.17 0.00 -0.52 0.00 0.00 55.73 53.77 1pf3 s ARG 234 Cb -0.14 -4.19 -0.05 0.00 0.52 0.00 0.00 34.95 31.09 1pf3 s ARG 234 CO -0.03 -1.29 0.44 -0.51 0.02 0.00 0.00 175.30 173.93 1pf3 s LEU 235 N 2.23 4.30 -0.09 2.53 1.43 0.33 -0.69 118.68 128.72 1pf3 s LEU 235 Ca 0.09 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1pf3 s LEU 235 Cb -0.24 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.37 1pf3 s LEU 235 CO 0.07 0.07 -0.11 -0.22 0.23 0.00 0.00 176.35 176.39 1pf3 s LEU 236 N 0.34 1.49 -0.66 1.79 2.96 -0.40 -2.03 118.68 122.16 1pf3 s LEU 236 Ca 0.24 -0.32 -0.24 0.00 -0.22 0.00 0.00 54.13 53.59 1pf3 s LEU 236 Cb -0.15 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.73 1pf3 s LEU 236 CO 0.10 -0.03 1.06 0.21 -1.32 0.00 0.00 176.35 176.37 1pf3 s ASN 237 N 1.09 6.20 -0.26 3.68 3.84 -1.00 -1.37 114.94 127.12 1pf3 s ASN 237 Ca -0.06 -0.70 0.13 0.00 0.21 0.00 0.00 52.86 52.43 1pf3 s ASN 237 Cb -0.14 -2.47 0.80 0.00 -0.55 0.00 0.00 41.25 38.89 1pf3 s ASN 237 CO -0.02 -1.53 1.77 0.61 -2.79 0.00 0.00 177.10 175.14 1pf3 n GLY 238 N 5.30 3.18 3.80 1.21 0.00 -0.33 -1.17 105.19 117.18 1pf3 n GLY 238 Ca -0.01 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1pf3 n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pf3 h ASN 240 N 0.33 0.76 0.00 0.00 4.21 -1.88 -3.42 115.58 115.57 1pf3 h ASN 240 Ca -0.47 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 56.63 1pf3 h ASN 240 Cb 1.23 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1pf3 h ASN 240 CO 0.57 1.01 0.00 0.00 -1.29 0.00 0.00 177.43 177.72 1pf3 n ALA 241 N -2.47 0.00 -2.64 -0.83 0.00 -1.25 -1.23 120.51 112.09 1pf3 n ALA 241 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1pf3 n ALA 241 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1pf3 n ALA 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1pf3 s ARG 242 N 0.00 4.16 0.50 0.00 3.52 -1.26 -4.98 118.95 120.89 1pf3 s ARG 242 Ca 0.00 0.73 -0.20 0.00 -0.13 0.00 0.00 55.73 56.13 1pf3 s ARG 242 Cb 0.00 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 1pf3 s ARG 242 CO 0.00 -0.42 1.05 -1.54 -0.81 0.00 0.00 175.30 173.58 1pf3 s SER 243 N 1.37 6.23 0.33 -2.12 1.04 -1.26 -4.59 113.70 114.69 1pf3 s SER 243 Ca 0.30 1.96 0.09 0.00 0.48 0.00 0.00 55.95 58.78 1pf3 s SER 243 Cb -0.16 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 1pf3 s SER 243 CO 0.09 -0.86 -0.08 -0.76 0.98 0.00 0.00 173.24 172.60 1pf3 s LEU 244 N -3.56 2.67 -0.31 2.42 1.43 -0.70 -4.87 118.68 115.76 1pf3 s LEU 244 Ca 0.68 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1pf3 s LEU 244 Cb -0.17 -0.91 0.14 0.00 0.03 0.00 0.00 46.19 45.28 1pf3 s LEU 244 CO 0.21 -0.25 0.32 0.21 0.23 0.00 0.00 176.35 177.08 1pf3 s ASN 245 N -3.57 1.48 0.35 2.29 2.47 -1.26 -1.30 114.94 115.39 1pf3 s ASN 245 Ca 0.32 -0.96 -0.25 0.00 0.42 0.00 0.00 52.86 52.38 1pf3 s ASN 245 Cb 0.03 0.55 -0.09 0.00 -1.45 0.00 0.00 41.25 40.28 1pf3 s ASN 245 CO 0.15 -0.35 1.00 -0.36 -3.72 0.00 0.00 177.10 173.82 1pf3 s PHE 246 N 2.12 3.50 0.39 0.43 0.08 -0.25 -0.23 117.98 124.02 1pf3 s PHE 246 Ca 0.11 1.72 -0.16 0.00 0.12 0.00 0.00 56.93 58.72 1pf3 s PHE 246 Cb -0.14 -3.04 0.06 0.00 -0.57 0.00 0.00 43.02 39.33 1pf3 s PHE 246 CO -0.25 -0.20 0.81 0.00 -0.10 0.00 0.00 175.22 175.48 1pf3 s ALA 247 N -1.60 -0.74 0.12 5.36 0.00 -0.63 -0.74 121.76 123.52 1pf3 s ALA 247 Ca 0.53 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1pf3 s ALA 247 Cb -0.21 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1pf3 s ALA 247 CO 0.27 -0.99 -0.09 0.95 0.00 0.00 0.00 175.76 175.90 1pf3 s THR 248 N -2.14 3.40 0.39 0.00 -4.23 -1.26 -0.53 115.64 111.26 1pf3 s THR 248 Ca 0.16 -1.34 0.19 0.00 -1.18 0.00 0.00 61.69 59.53 1pf3 s THR 248 Cb -0.05 -2.62 0.20 0.00 1.34 0.00 0.00 72.50 71.37 1pf3 s THR 248 CO 0.12 0.05 1.96 0.77 -0.54 0.00 0.00 174.62 176.98 1pf3 h SER 249 N 3.40 0.00 -0.43 3.99 4.64 -1.35 -2.21 113.55 121.59 1pf3 h SER 249 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1pf3 h SER 249 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1pf3 h SER 249 CO 0.53 0.22 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 1pf3 n ASP 250 N -3.94 3.77 -0.81 4.97 5.68 -1.26 -4.98 116.55 119.98 1pf3 n ASP 250 Ca -0.02 -2.40 -0.11 0.00 -0.50 0.00 0.00 54.79 51.76 1pf3 n ASP 250 Cb 0.30 -0.43 -0.05 0.00 -1.14 0.00 0.00 41.12 39.81 1pf3 n ASP 250 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pf3 n ASN 251 N 0.47 -4.55 -4.77 -1.12 3.02 -0.83 -4.99 115.26 102.49 1pf3 n ASN 251 Ca 0.19 0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 54.60 1pf3 n ASN 251 Cb 0.70 -2.99 -0.01 0.00 -0.61 0.00 0.00 39.78 36.87 1pf3 n ASN 251 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pf3 s ARG 252 N -2.78 4.06 0.72 3.52 1.70 -1.26 -4.97 118.95 119.94 1pf3 s ARG 252 Ca 0.00 2.18 -0.13 0.00 -0.47 0.00 0.00 55.73 57.30 1pf3 s ARG 252 Cb 0.00 -2.83 0.03 0.00 -0.57 0.00 0.00 34.95 31.58 1pf3 s ARG 252 CO 0.00 -0.42 1.12 -1.25 -1.08 0.00 0.00 175.30 173.67 1pf3 s PRO 253 N -2.14 2.44 -0.13 3.89 0.04 -1.26 -4.48 135.00 133.35 1pf3 s PRO 253 Ca 0.55 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.95 1pf3 s PRO 253 Cb -0.39 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1pf3 s PRO 253 CO 0.50 -1.53 0.00 -0.51 0.04 0.00 0.00 177.00 175.50 1pf3 s LEU 254 N -5.31 3.51 -0.41 -3.56 1.43 -0.50 -4.62 118.68 109.22 1pf3 s LEU 254 Ca 0.66 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 1pf3 s LEU 254 Cb -0.21 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.22 1pf3 s LEU 254 CO 0.47 0.25 0.26 -0.31 0.23 0.00 0.00 176.35 177.26 1pf3 s TYR 255 N -0.11 3.27 -0.04 0.29 1.51 -0.10 -1.04 117.35 121.14 1pf3 s TYR 255 Ca 0.04 -1.12 -0.30 0.00 -1.01 0.00 0.00 57.07 54.68 1pf3 s TYR 255 Cb -0.13 -2.75 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 1pf3 s TYR 255 CO 0.02 -0.74 1.19 0.08 -1.11 0.00 0.00 175.55 174.99 1pf3 s VAL 256 N 1.54 4.26 -0.13 0.71 1.01 -0.16 -0.37 120.40 127.24 1pf3 s VAL 256 Ca 0.03 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1pf3 s VAL 256 Cb -0.21 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1pf3 s VAL 256 CO 0.05 0.02 0.15 2.30 0.00 0.00 0.00 175.10 177.62 1pf3 n ILE 257 N 4.48 0.00 -3.60 2.22 -5.35 0.08 -1.35 119.36 115.85 1pf3 n ILE 257 Ca 0.10 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.12 1pf3 n ILE 257 Cb 0.46 0.81 -0.06 0.00 -1.74 0.00 0.00 39.64 39.11 1pf3 n ILE 257 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pf3 s ALA 258 N -1.68 -1.37 0.00 -1.28 0.00 -1.13 -1.29 121.76 115.01 1pf3 s ALA 258 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1pf3 s ALA 258 Cb 0.03 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1pf3 s ALA 258 CO 0.17 -0.39 0.00 -1.13 0.00 0.00 0.00 175.76 174.41 1pf3 n SER 259 N 0.82 1.70 -0.29 0.00 3.41 -0.43 -1.39 113.62 117.44 1pf3 n SER 259 Ca -0.19 -0.83 0.11 0.00 -0.26 0.00 0.00 58.87 57.69 1pf3 n SER 259 Cb 0.58 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.78 1pf3 n SER 259 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pf3 h ASP 260 N 0.00 -0.18 -0.20 4.04 3.32 -1.46 -2.15 116.42 119.79 1pf3 h ASP 260 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1pf3 h ASP 260 Cb 0.00 0.32 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1pf3 h ASP 260 CO 0.00 -0.20 0.00 0.61 -1.72 0.00 0.00 179.24 177.93 1pf3 n GLY 261 N -1.41 1.21 0.00 2.75 0.00 -0.68 -4.44 105.19 102.62 1pf3 n GLY 261 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1pf3 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pf3 n GLY 262 N 1.26 0.92 3.73 -0.02 0.00 -0.81 -4.69 105.19 105.58 1pf3 n GLY 262 Ca 0.15 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1pf3 n GLY 262 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pf3 n LEU 263 N 0.00 4.79 -4.85 0.99 4.77 -1.25 -1.32 117.00 120.13 1pf3 n LEU 263 Ca 0.00 1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 1pf3 n LEU 263 Cb 0.00 -1.55 0.07 0.00 -2.33 0.00 0.00 43.42 39.60 1pf3 n LEU 263 CO 0.00 -0.52 0.74 -0.76 -1.33 0.00 0.00 177.39 175.51 1pf3 s LEU 264 N -2.51 2.77 0.26 2.23 1.43 -0.41 -4.79 118.68 117.66 1pf3 s LEU 264 Ca 0.65 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 1pf3 s LEU 264 Cb -0.46 -3.92 0.36 0.00 0.03 0.00 0.00 46.19 42.20 1pf3 s LEU 264 CO 0.55 -1.61 1.71 1.55 0.23 0.00 0.00 176.35 178.78 1pf3 h PRO 265 N -0.84 0.60 -3.88 1.29 0.13 -1.90 -3.31 132.00 124.09 1pf3 h PRO 265 Ca -0.46 -0.21 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 1pf3 h PRO 265 Cb 1.26 -0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1pf3 h PRO 265 CO 0.62 0.76 -0.58 -1.21 -0.23 0.00 0.00 178.00 177.36 1pf3 s GLU 266 N -4.63 0.53 0.50 0.86 2.02 -1.26 -0.78 118.70 115.95 1pf3 s GLU 266 Ca -0.08 -0.77 -0.23 0.00 0.02 0.00 0.00 54.97 53.91 1pf3 s GLU 266 Cb 0.14 0.20 -0.06 0.00 0.10 0.00 0.00 34.13 34.51 1pf3 s GLU 266 CO 0.80 -0.12 1.36 -2.14 0.02 0.00 0.00 175.26 175.18 1pf3 s PRO 267 N -2.51 3.39 -0.23 0.39 0.02 -1.26 -4.89 135.00 129.91 1pf3 s PRO 267 Ca -0.06 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.24 1pf3 s PRO 267 Cb -0.02 -2.42 0.05 0.00 0.02 0.00 0.00 34.50 32.13 1pf3 s PRO 267 CO -0.04 -1.00 -0.13 0.08 -0.33 0.00 0.00 177.00 175.58 1pf3 s VAL 268 N -1.28 2.03 -0.04 3.83 1.01 -0.46 -4.94 120.40 120.55 1pf3 s VAL 268 Ca 0.67 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1pf3 s VAL 268 Cb -0.41 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1pf3 s VAL 268 CO 0.50 0.16 1.23 -0.75 0.00 0.00 0.00 175.10 176.23 1pf3 s LYS 269 N 1.21 4.35 0.10 2.72 2.20 -1.26 -0.99 119.74 128.07 1pf3 s LYS 269 Ca -0.04 1.72 0.04 0.00 -0.36 0.00 0.00 55.97 57.34 1pf3 s LYS 269 Cb -0.17 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1pf3 s LYS 269 CO -0.08 -0.44 -0.11 0.14 -0.36 0.00 0.00 175.35 174.50 1pf3 s VAL 270 N 2.11 1.05 -0.24 4.02 -7.23 -0.20 -4.99 120.40 114.91 1pf3 s VAL 270 Ca 0.57 -1.63 0.22 0.00 -1.81 0.00 0.00 61.98 59.33 1pf3 s VAL 270 Cb -0.26 -1.38 -0.23 0.00 0.56 0.00 0.00 36.38 35.07 1pf3 s VAL 270 CO 0.23 -0.50 0.71 -1.54 -0.31 0.00 0.00 175.10 173.69 1pf3 n SER 271 N 0.60 0.35 -3.72 4.85 3.41 -1.26 -1.41 113.62 116.44 1pf3 n SER 271 Ca -0.16 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1pf3 n SER 271 Cb 0.57 1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 65.88 1pf3 n SER 271 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1pf3 s GLU 272 N -3.40 0.86 -0.33 4.33 -1.05 -1.26 -4.63 118.70 113.22 1pf3 s GLU 272 Ca -0.03 -0.47 -0.01 0.00 -0.15 0.00 0.00 54.97 54.31 1pf3 s GLU 272 Cb 0.13 0.38 0.13 0.00 -0.44 0.00 0.00 34.13 34.33 1pf3 s GLU 272 CO 0.87 -0.29 0.20 -1.17 0.95 0.00 0.00 175.26 175.82 1pf3 s LEU 273 N -2.08 0.75 0.29 1.83 2.96 0.08 -4.94 118.68 117.55 1pf3 s LEU 273 Ca -0.05 -1.83 -0.30 0.00 -0.22 0.00 0.00 54.13 51.73 1pf3 s LEU 273 Cb -0.01 -0.31 -0.11 0.00 0.50 0.00 0.00 46.19 46.27 1pf3 s LEU 273 CO -0.03 -0.35 1.56 -2.84 -1.32 0.00 0.00 176.35 173.36 1pf3 s PRO 274 N 1.45 4.15 -0.08 0.98 0.02 -1.26 -1.09 135.00 139.17 1pf3 s PRO 274 Ca 0.15 2.52 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 1pf3 s PRO 274 Cb -0.20 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.30 1pf3 s PRO 274 CO -0.12 -0.58 -0.04 0.08 -0.33 0.00 0.00 177.00 176.01 1pf3 s VAL 275 N -0.04 0.67 0.72 3.83 1.01 -0.42 -4.94 120.40 121.22 1pf3 s VAL 275 Ca 0.62 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 1pf3 s VAL 275 Cb -0.46 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1pf3 s VAL 275 CO 0.47 0.30 1.04 -0.76 0.00 0.00 0.00 175.10 176.15 1pf3 s LEU 276 N 1.69 2.79 0.10 3.92 1.43 -1.26 -1.71 118.68 125.63 1pf3 s LEU 276 Ca 0.02 0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 1pf3 s LEU 276 Cb -0.13 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 1pf3 s LEU 276 CO -0.05 -1.62 1.69 -0.04 0.23 0.00 0.00 176.35 176.56 1pf3 s MET 277 N -5.29 4.18 0.00 1.70 -1.94 -1.26 -1.96 119.30 114.73 1pf3 s MET 277 Ca 0.60 2.42 0.00 0.00 -1.71 0.00 0.00 55.69 57.00 1pf3 s MET 277 Cb -0.11 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1pf3 s MET 277 CO 0.45 -0.74 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 1pf3 n GLY 278 N 4.02 1.82 3.81 -0.03 0.00 -0.32 -4.85 105.19 109.65 1pf3 n GLY 278 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1pf3 n GLY 278 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pf3 s GLU 279 N -0.60 4.13 0.08 1.61 2.02 -0.83 -4.87 118.70 120.23 1pf3 s GLU 279 Ca 0.00 1.22 0.09 0.00 0.02 0.00 0.00 54.97 56.31 1pf3 s GLU 279 Cb 0.00 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1pf3 s GLU 279 CO 0.00 -0.12 -0.25 1.03 0.02 0.00 0.00 175.26 175.94 1pf3 s ARG 280 N -3.07 1.52 0.04 1.61 3.00 -1.26 -2.38 118.95 118.41 1pf3 s ARG 280 Ca 0.62 -1.15 0.02 0.00 0.00 0.00 0.00 55.73 55.22 1pf3 s ARG 280 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 34.95 33.01 1pf3 s ARG 280 CO 0.16 0.44 -0.08 -0.06 0.00 0.00 0.00 175.30 175.77 1pf3 s PHE 281 N -0.92 0.72 -0.14 -0.53 0.08 -0.86 -2.48 117.98 113.84 1pf3 s PHE 281 Ca 0.11 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 1pf3 s PHE 281 Cb -0.10 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.89 1pf3 s PHE 281 CO 0.03 -0.06 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.87 1pf3 s GLU 282 N -1.47 3.48 0.09 0.44 2.02 -0.49 -0.51 118.70 122.27 1pf3 s GLU 282 Ca -0.08 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.51 1pf3 s GLU 282 Cb -0.09 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1pf3 s GLU 282 CO 0.01 0.40 -0.16 0.14 0.02 0.00 0.00 175.26 175.66 1pf3 s VAL 283 N -0.05 1.36 -0.05 2.63 -7.23 -0.58 -0.74 120.40 115.74 1pf3 s VAL 283 Ca 0.03 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1pf3 s VAL 283 Cb -0.13 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1pf3 s VAL 283 CO 0.02 -0.22 0.04 -0.76 -0.31 0.00 0.00 175.10 173.87 1pf3 s LEU 284 N -1.98 3.76 0.01 1.32 1.02 0.50 -0.89 118.68 122.41 1pf3 s LEU 284 Ca 0.03 0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.36 1pf3 s LEU 284 Cb -0.09 -2.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.11 1pf3 s LEU 284 CO 0.03 0.34 -0.05 0.54 0.02 0.00 0.00 176.35 177.23 1pf3 s VAL 285 N -1.02 0.32 0.14 -1.59 0.11 -0.28 -0.92 120.40 117.16 1pf3 s VAL 285 Ca 0.17 -0.49 -0.28 0.00 -2.93 0.00 0.00 61.98 58.46 1pf3 s VAL 285 Cb -0.12 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.33 1pf3 s VAL 285 CO 0.07 -0.11 0.86 -0.70 -3.33 0.00 0.00 175.10 171.89 1pf3 s GLU 286 N -0.64 4.65 -0.17 1.54 2.12 -1.26 -1.26 118.70 123.67 1pf3 s GLU 286 Ca -0.04 1.29 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 1pf3 s GLU 286 Cb -0.05 -3.32 -0.00 0.00 0.26 0.00 0.00 34.13 31.02 1pf3 s GLU 286 CO -0.00 0.38 -0.13 0.08 -0.54 0.00 0.00 175.26 175.06 1pf3 s VAL 287 N -0.55 2.83 -0.03 3.70 1.01 0.36 -4.94 120.40 122.78 1pf3 s VAL 287 Ca 0.41 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1pf3 s VAL 287 Cb -0.23 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1pf3 s VAL 287 CO 0.28 0.49 -0.21 0.20 0.00 0.00 0.00 175.10 175.86 1pf3 s ASN 288 N 1.00 2.55 0.32 3.32 0.01 -1.26 -1.22 114.94 119.66 1pf3 s ASN 288 Ca -0.01 -0.40 -0.28 0.00 -0.71 0.00 0.00 52.86 51.45 1pf3 s ASN 288 Cb -0.15 -0.43 -0.13 0.00 0.41 0.00 0.00 41.25 40.95 1pf3 s ASN 288 CO -0.02 0.24 1.16 0.47 -1.51 0.00 0.00 177.10 177.44 1pf3 n ASP 289 N 2.72 2.06 -0.03 -1.22 9.92 -1.26 -2.70 116.55 126.04 1pf3 n ASP 289 Ca -0.16 1.19 -0.00 0.00 -0.53 0.00 0.00 54.79 55.29 1pf3 n ASP 289 Cb 0.52 -1.39 -0.00 0.00 -0.64 0.00 0.00 41.12 39.61 1pf3 n ASP 289 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1pf3 n ASN 290 N 0.96 -4.25 -3.62 -2.24 3.02 -1.26 -4.94 115.26 102.93 1pf3 n ASN 290 Ca 0.07 0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.35 1pf3 n ASN 290 Cb 0.34 -1.78 -0.11 0.00 -0.61 0.00 0.00 39.78 37.62 1pf3 n ASN 290 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1pf3 s LYS 291 N -0.92 1.58 0.61 3.52 2.20 -1.10 -5.09 119.74 120.54 1pf3 s LYS 291 Ca 0.00 -2.63 -0.19 0.00 -0.36 0.00 0.00 55.97 52.79 1pf3 s LYS 291 Cb 0.00 -2.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1pf3 s LYS 291 CO 0.00 -1.33 1.27 -2.14 -0.36 0.00 0.00 175.35 172.78 1pf3 s PRO 292 N -0.57 2.81 0.14 4.03 0.02 -1.26 -4.71 135.00 135.46 1pf3 s PRO 292 Ca 0.29 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 1pf3 s PRO 292 Cb -0.01 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1pf3 s PRO 292 CO -0.18 -1.37 0.29 -0.59 -0.33 0.00 0.00 177.00 174.83 1pf3 s PHE 293 N -1.46 0.21 -0.08 6.54 -0.71 -1.08 -5.02 117.98 116.38 1pf3 s PHE 293 Ca 0.79 -0.58 -0.02 0.00 -1.04 0.00 0.00 56.93 56.07 1pf3 s PHE 293 Cb -0.35 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1pf3 s PHE 293 CO 0.38 -0.69 0.04 -0.51 -1.34 0.00 0.00 175.22 173.10 1pf3 s ASP 294 N -2.91 5.49 0.12 1.98 1.01 -1.26 -0.52 116.67 120.58 1pf3 s ASP 294 Ca 0.11 0.20 -0.30 0.00 0.71 0.00 0.00 52.55 53.27 1pf3 s ASP 294 Cb 0.03 -1.59 -0.07 0.00 1.01 0.00 0.00 42.92 42.30 1pf3 s ASP 294 CO -0.05 0.37 1.16 -0.22 0.21 0.00 0.00 175.17 176.64 1pf3 s LEU 295 N -1.04 4.42 0.26 1.23 2.96 -0.07 -0.85 118.68 125.60 1pf3 s LEU 295 Ca 0.15 2.07 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 1pf3 s LEU 295 Cb -0.12 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1pf3 s LEU 295 CO 0.04 -0.37 0.02 0.68 -1.32 0.00 0.00 176.35 175.41 1pf3 s VAL 296 N 0.44 1.06 -0.07 1.68 -7.23 0.31 -0.33 120.40 116.25 1pf3 s VAL 296 Ca 0.54 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1pf3 s VAL 296 Cb -0.30 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1pf3 s VAL 296 CO 0.32 -0.19 -0.24 0.28 -0.31 0.00 0.00 175.10 174.96 1pf3 s THR 297 N -3.40 2.11 0.24 5.32 -1.32 -0.09 -1.60 115.64 116.90 1pf3 s THR 297 Ca 0.32 -1.04 -0.06 0.00 -1.21 0.00 0.00 61.69 59.70 1pf3 s THR 297 Cb 0.07 -1.78 -0.06 0.00 -1.51 0.00 0.00 72.50 69.22 1pf3 s THR 297 CO 0.11 0.57 0.51 -0.76 -2.21 0.00 0.00 174.62 172.84 1pf3 s LEU 298 N -0.04 4.14 0.42 9.08 1.43 0.68 -1.13 118.68 133.26 1pf3 s LEU 298 Ca -0.07 0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 1pf3 s LEU 298 Cb -0.15 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 1pf3 s LEU 298 CO 0.05 -0.10 1.22 -2.65 0.23 0.00 0.00 176.35 175.10 1pf3 n PRO 299 N -0.50 1.80 -4.27 1.29 -0.02 -1.26 -4.24 135.00 127.79 1pf3 n PRO 299 Ca -0.01 0.64 -0.26 0.00 -2.02 0.00 0.00 63.50 61.85 1pf3 n PRO 299 Cb 0.53 -2.32 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 1pf3 n PRO 299 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pf3 s VAL 300 N -1.21 3.35 -1.16 -1.45 -7.23 -1.26 -4.98 120.40 106.46 1pf3 s VAL 300 Ca 0.62 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 59.04 1pf3 s VAL 300 Cb -0.52 -2.69 0.24 0.00 0.56 0.00 0.00 36.38 33.97 1pf3 s VAL 300 CO 0.57 -0.17 1.48 -1.20 -0.31 0.00 0.00 175.10 175.48 1pf3 n SER 301 N -0.19 5.67 -3.93 4.85 7.64 -1.26 -4.52 113.62 121.87 1pf3 n SER 301 Ca -0.10 -3.17 -0.16 0.00 1.01 0.00 0.00 58.87 56.46 1pf3 n SER 301 Cb 0.56 -1.40 -0.15 0.00 -1.01 0.00 0.00 64.21 62.21 1pf3 n SER 301 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1pf3 s GLN 302 N -0.89 0.39 0.15 1.43 0.74 -1.26 -4.95 119.66 115.27 1pf3 s GLN 302 Ca 0.35 -0.14 -0.33 0.00 0.05 0.00 0.00 55.36 55.29 1pf3 s GLN 302 Cb 0.01 -0.39 -0.13 0.00 1.10 0.00 0.00 33.01 33.60 1pf3 s GLN 302 CO 0.02 0.07 1.67 -0.12 -0.55 0.00 0.00 175.29 176.38 1pf3 n MET 303 N 3.11 2.38 0.00 1.67 0.00 -1.26 -1.83 117.12 121.18 1pf3 n MET 303 Ca -0.14 0.86 0.00 0.00 -0.00 0.00 0.00 57.70 58.41 1pf3 n MET 303 Cb 0.57 -2.67 0.00 0.00 0.00 0.00 0.00 33.22 31.13 1pf3 n MET 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pf3 n GLY 304 N 3.72 2.50 0.74 -5.12 0.00 -0.13 -4.90 105.19 102.01 1pf3 n GLY 304 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1pf3 n GLY 304 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pf3 n MET 305 N -2.00 2.01 -0.77 1.61 2.00 -0.76 -3.92 117.12 115.28 1pf3 n MET 305 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 57.70 56.18 1pf3 n MET 305 Cb 0.00 -1.47 0.20 0.00 0.00 0.00 0.00 33.22 31.95 1pf3 n MET 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pf3 n ALA 306 N 0.81 4.19 -1.80 3.04 0.00 -1.26 -4.70 120.51 120.78 1pf3 n ALA 306 Ca 0.16 -3.17 -0.37 0.00 0.00 0.00 0.00 53.44 50.06 1pf3 n ALA 306 Cb 0.49 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1pf3 n ALA 306 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pf3 s ILE 307 N -3.25 4.23 0.19 0.00 -1.09 -1.25 -3.22 121.20 116.82 1pf3 s ILE 307 Ca 0.43 1.79 -0.29 0.00 -2.23 0.00 0.00 60.65 60.35 1pf3 s ILE 307 Cb 0.40 -3.99 -0.17 0.00 -1.58 0.00 0.00 42.46 37.12 1pf3 s ILE 307 CO -0.02 0.13 0.67 0.00 -1.23 0.00 0.00 174.94 174.50 1pf3 n ALA 308 N 0.54 -2.50 1.68 9.38 0.00 -1.26 -0.73 120.51 127.63 1pf3 n ALA 308 Ca 0.02 0.45 0.03 0.00 0.00 0.00 0.00 53.44 53.94 1pf3 n ALA 308 Cb 0.50 -1.70 0.11 0.00 0.00 0.00 0.00 19.45 18.36 1pf3 n ALA 308 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pf3 n PRO 309 N 1.05 1.24 -0.16 0.00 -0.04 -1.26 -4.88 135.00 130.94 1pf3 n PRO 309 Ca 0.17 -0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1pf3 n PRO 309 Cb 0.24 -1.11 0.28 0.00 -0.04 0.00 0.00 33.50 32.86 1pf3 n PRO 309 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pf3 n PHE 310 N -0.23 0.43 0.34 0.54 3.72 0.10 -3.43 117.46 118.92 1pf3 n PHE 310 Ca 0.05 -0.22 0.12 0.00 -0.05 0.00 0.00 57.45 57.36 1pf3 n PHE 310 Cb 0.10 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.18 1pf3 n PHE 310 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1pf3 h ASP 311 N 3.34 0.00 -3.44 4.37 2.03 -1.59 -3.40 116.42 117.73 1pf3 h ASP 311 Ca 0.00 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.85 1pf3 h ASP 311 Cb 0.74 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.10 1pf3 h ASP 311 CO 0.00 0.00 -0.62 -0.54 -1.03 0.00 0.00 179.24 177.05 1pf3 s LYS 312 N -3.41 1.58 0.28 4.15 1.02 -1.22 -4.82 119.74 117.31 1pf3 s LYS 312 Ca 0.02 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 53.86 1pf3 s LYS 312 Cb 0.09 -0.79 -0.13 0.00 -0.52 0.00 0.00 37.83 36.47 1pf3 s LYS 312 CO 0.36 -0.17 1.24 -2.30 -0.92 0.00 0.00 175.35 173.56 1pf3 n PRO 313 N -0.62 1.79 -4.68 -1.68 -0.02 -1.26 -4.46 135.00 124.07 1pf3 n PRO 313 Ca -0.03 0.63 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 1pf3 n PRO 313 Cb 0.66 -2.17 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 1pf3 n PRO 313 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pf3 s HIS 314 N -0.68 1.88 0.46 6.00 2.46 -0.28 -4.96 115.29 120.18 1pf3 s HIS 314 Ca 0.62 -0.79 -0.24 0.00 0.47 0.00 0.00 55.06 55.13 1pf3 s HIS 314 Cb -0.66 -1.34 -0.07 0.00 -0.13 0.00 0.00 32.58 30.38 1pf3 s HIS 314 CO 0.57 -0.38 1.25 -1.25 -2.47 0.00 0.00 174.74 172.46 1pf3 s PRO 315 N 0.71 3.68 -0.12 2.88 0.04 -1.26 -0.91 135.00 140.02 1pf3 s PRO 315 Ca -0.13 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.88 1pf3 s PRO 315 Cb -0.16 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1pf3 s PRO 315 CO 0.03 -0.68 -0.13 0.28 0.04 0.00 0.00 177.00 176.54 1pf3 n VAL 316 N -0.41 0.64 -3.52 -0.36 0.31 0.55 -4.82 118.33 110.71 1pf3 n VAL 316 Ca 0.07 -0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 64.06 1pf3 n VAL 316 Cb 0.46 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.95 1pf3 n VAL 316 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pf3 s MET 317 N -2.22 0.93 -0.14 5.55 0.23 -1.00 -4.24 119.30 118.42 1pf3 s MET 317 Ca -0.16 0.11 -0.16 0.00 -1.03 0.00 0.00 55.69 54.45 1pf3 s MET 317 Cb 0.05 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 1pf3 s MET 317 CO 0.22 -0.31 0.40 0.50 -2.03 0.00 0.00 175.02 173.81 1pf3 s ARG 318 N -1.56 4.30 -0.27 3.16 6.06 -0.15 -0.89 118.95 129.59 1pf3 s ARG 318 Ca -0.06 0.30 -0.11 0.00 -2.50 0.00 0.00 55.73 53.36 1pf3 s ARG 318 Cb -0.00 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.52 1pf3 s ARG 318 CO 0.04 0.17 0.19 0.42 -2.50 0.00 0.00 175.30 173.62 1pf3 s ILE 319 N 0.62 5.31 -0.38 4.11 1.09 0.32 -0.45 121.20 131.83 1pf3 s ILE 319 Ca 0.22 0.19 -0.07 0.00 -1.10 0.00 0.00 60.65 59.89 1pf3 s ILE 319 Cb -0.14 -3.53 0.06 0.00 -1.06 0.00 0.00 42.46 37.79 1pf3 s ILE 319 CO 0.08 0.26 0.18 -1.58 -0.10 0.00 0.00 174.94 173.77 1pf3 s GLN 320 N 1.67 2.54 0.29 2.79 2.00 -0.30 -2.64 119.66 126.01 1pf3 s GLN 320 Ca 0.07 -1.37 -0.30 0.00 -2.00 0.00 0.00 55.36 51.77 1pf3 s GLN 320 Cb -0.16 -3.60 -0.11 0.00 0.80 0.00 0.00 33.01 29.95 1pf3 s GLN 320 CO 0.10 -0.83 1.47 -2.14 -0.50 0.00 0.00 175.29 173.39 1pf3 s PRO 321 N 1.38 4.22 -0.06 1.67 0.02 -1.26 -1.72 135.00 139.25 1pf3 s PRO 321 Ca 0.01 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.45 1pf3 s PRO 321 Cb -0.21 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 1pf3 s PRO 321 CO 0.02 -0.46 -0.11 0.42 -0.33 0.00 0.00 177.00 176.53 1pf3 s ILE 322 N -0.30 3.31 -0.99 2.83 -1.09 0.33 -4.73 121.20 120.54 1pf3 s ILE 322 Ca 0.58 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 58.32 1pf3 s ILE 322 Cb -0.44 -2.32 0.09 0.00 -1.58 0.00 0.00 42.46 38.21 1pf3 s ILE 322 CO 0.48 0.59 2.56 0.00 -1.23 0.00 0.00 174.94 177.35 1pf3 n ALA 323 N 2.29 6.70 -3.08 9.38 0.00 -1.26 -2.12 120.51 132.42 1pf3 n ALA 323 Ca -0.17 -3.66 -0.24 0.00 0.00 0.00 0.00 53.44 49.37 1pf3 n ALA 323 Cb 0.52 -2.56 -0.16 0.00 0.00 0.00 0.00 19.45 17.26 1pf3 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pf3 s ILE 324 N -1.42 1.19 0.07 0.00 1.01 -1.26 -5.01 121.20 115.79 1pf3 s ILE 324 Ca 0.56 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 60.34 1pf3 s ILE 324 Cb 0.26 -1.05 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 1pf3 s ILE 324 CO -0.14 0.36 1.23 -0.55 0.00 0.00 0.00 174.94 175.84 1pf3 s SER 325 N 0.24 7.03 0.14 3.58 0.15 -1.26 -1.43 113.70 122.15 1pf3 s SER 325 Ca -0.06 2.07 -0.25 0.00 0.70 0.00 0.00 55.95 58.40 1pf3 s SER 325 Cb -0.12 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.54 1pf3 s SER 325 CO 0.02 -0.50 0.78 0.00 1.20 0.00 0.00 173.24 174.74 1pf3 s ALA 326 N 1.06 3.43 -1.24 5.45 0.00 0.18 -4.88 121.76 125.77 1pf3 s ALA 326 Ca 0.60 0.36 0.27 0.00 0.00 0.00 0.00 51.96 53.19 1pf3 s ALA 326 Cb -0.31 -2.98 0.87 0.00 0.00 0.00 0.00 23.12 20.70 1pf3 s ALA 326 CO 0.29 0.24 1.65 -1.13 0.00 0.00 0.00 175.76 176.82 1pf3 n SER 327 N 1.85 0.44 -4.80 0.00 3.41 -1.26 -4.76 113.62 108.50 1pf3 n SER 327 Ca -0.05 -0.23 -0.33 0.00 -0.26 0.00 0.00 58.87 58.00 1pf3 n SER 327 Cb 0.49 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 1pf3 n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pf3 s GLY 328 N -2.82 2.30 0.21 5.00 0.00 -1.26 -4.92 107.32 105.83 1pf3 s GLY 328 Ca 0.17 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.47 1pf3 s GLY 328 CO 0.59 0.80 -0.06 0.00 0.00 0.00 0.00 173.10 174.43 1pf3 s ALA 329 N -2.24 3.03 -0.59 3.20 0.00 -0.16 -4.60 121.76 120.41 1pf3 s ALA 329 Ca 0.65 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1pf3 s ALA 329 Cb -0.16 -0.77 0.15 0.00 0.00 0.00 0.00 23.12 22.35 1pf3 s ALA 329 CO 0.29 0.41 0.43 -1.17 0.00 0.00 0.00 175.76 175.72 1pf3 s LEU 330 N -3.09 5.54 0.51 0.00 2.96 -1.26 -4.28 118.68 119.06 1pf3 s LEU 330 Ca 0.27 -2.52 -0.21 0.00 -0.22 0.00 0.00 54.13 51.45 1pf3 s LEU 330 Cb -0.08 -1.93 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1pf3 s LEU 330 CO 0.17 -0.49 1.15 -2.84 -1.32 0.00 0.00 176.35 173.02 1pf3 s PRO 331 N 0.43 3.50 0.32 0.98 0.02 -1.26 -4.94 135.00 134.05 1pf3 s PRO 331 Ca 0.14 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.89 1pf3 s PRO 331 Cb -0.20 -2.17 0.55 0.00 0.02 0.00 0.00 34.50 32.69 1pf3 s PRO 331 CO -0.04 -0.75 1.83 -0.44 -0.33 0.00 0.00 177.00 177.28 1pf3 h ASP 332 N 1.54 0.50 -3.25 2.53 3.32 -1.99 -3.42 116.42 115.65 1pf3 h ASP 332 Ca -0.50 -0.11 -0.66 0.00 0.02 0.00 0.00 57.03 55.78 1pf3 h ASP 332 Cb 1.26 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.34 1pf3 h ASP 332 CO 0.58 0.61 -0.87 -0.89 -1.72 0.00 0.00 179.24 176.96 1pf3 s THR 333 N -4.85 1.98 -0.23 0.35 2.01 -1.26 -4.37 115.64 109.27 1pf3 s THR 333 Ca -0.07 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 60.98 1pf3 s THR 333 Cb 0.15 -1.74 -0.14 0.00 0.01 0.00 0.00 72.50 70.78 1pf3 s THR 333 CO 0.77 0.54 -0.21 0.18 -0.69 0.00 0.00 174.62 175.20 1pf3 n LEU 334 N 3.91 2.77 -3.78 4.42 4.77 0.04 -5.00 117.00 124.13 1pf3 n LEU 334 Ca -0.20 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 1pf3 n LEU 334 Cb 0.52 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1pf3 n LEU 334 CO 0.27 0.82 0.73 -0.94 -1.33 0.00 0.00 177.39 176.94 1pf3 s SER 335 N -6.32 -0.14 -0.22 -1.43 1.04 -1.13 -4.94 113.70 100.57 1pf3 s SER 335 Ca -0.31 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1pf3 s SER 335 Cb 0.09 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1pf3 s SER 335 CO 0.50 -0.94 0.10 -0.55 0.98 0.00 0.00 173.24 173.33 1pf3 s SER 336 N -3.02 5.68 -0.24 7.02 0.15 -1.26 -4.40 113.70 117.63 1pf3 s SER 336 Ca 0.14 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.76 1pf3 s SER 336 Cb -0.02 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 1pf3 s SER 336 CO 0.03 0.09 0.03 -0.22 1.20 0.00 0.00 173.24 174.37 1pf3 s LEU 337 N 0.88 3.27 0.58 3.45 2.96 -1.26 -4.97 118.68 123.59 1pf3 s LEU 337 Ca 0.05 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 1pf3 s LEU 337 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1pf3 s LEU 337 CO 0.03 -0.05 1.13 -2.16 -1.32 0.00 0.00 176.35 173.98 1pf3 s PRO 338 N 1.55 3.19 0.72 0.98 0.04 -1.26 -4.99 135.00 135.22 1pf3 s PRO 338 Ca 0.06 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 1pf3 s PRO 338 Cb -0.15 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1pf3 s PRO 338 CO 0.01 -0.98 1.13 0.00 0.04 0.00 0.00 177.00 177.21 1pf3 s ALA 339 N -1.89 2.26 0.29 8.56 0.00 -1.26 -4.97 121.76 124.75 1pf3 s ALA 339 Ca 0.72 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1pf3 s ALA 339 Cb -0.24 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1pf3 s ALA 339 CO 0.31 -1.64 1.50 -0.51 0.00 0.00 0.00 175.76 175.42 1pf3 s LEU 340 N -5.27 4.36 0.86 0.00 1.02 -1.26 -5.02 118.68 113.38 1pf3 s LEU 340 Ca 0.68 2.85 -0.11 0.00 0.02 0.00 0.00 54.13 57.57 1pf3 s LEU 340 Cb -0.22 -3.64 0.16 0.00 0.02 0.00 0.00 46.19 42.51 1pf3 s LEU 340 CO 0.46 -0.81 1.20 -2.16 0.02 0.00 0.00 176.35 175.07 1pf3 s PRO 341 N -0.81 1.19 0.50 1.29 0.04 -1.26 -5.03 135.00 130.91 1pf3 s PRO 341 Ca 0.59 -0.49 -0.22 0.00 0.04 0.00 0.00 61.00 60.92 1pf3 s PRO 341 Cb -0.45 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 1pf3 s PRO 341 CO 0.49 -1.98 1.26 0.45 0.04 0.00 0.00 177.00 177.26 1pf3 s SER 342 N -4.78 5.75 0.00 6.66 0.15 -1.26 -4.95 113.70 115.27 1pf3 s SER 342 Ca 0.69 2.53 0.24 0.00 0.70 0.00 0.00 55.95 60.11 1pf3 s SER 342 Cb -0.06 -2.62 0.32 0.00 -1.71 0.00 0.00 66.02 61.95 1pf3 s SER 342 CO 0.50 -1.22 1.28 0.18 1.20 0.00 0.00 173.24 175.18 1pf3 n LEU 343 N -0.72 0.76 -4.73 3.45 4.32 -1.26 -4.88 117.00 113.93 1pf3 n LEU 343 Ca 0.09 -0.19 -0.41 0.00 -0.02 0.00 0.00 56.01 55.47 1pf3 n LEU 343 Cb 0.46 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 1pf3 n LEU 343 CO 0.50 0.18 0.94 -0.70 -1.22 0.00 0.00 177.39 177.09 1pf3 s GLU 344 N -2.92 4.42 0.00 3.23 2.56 -1.26 -3.03 118.70 121.70 1pf3 s GLU 344 Ca 0.12 1.94 0.00 0.00 0.00 0.00 0.00 54.97 57.03 1pf3 s GLU 344 Cb 0.17 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 33.06 1pf3 s GLU 344 CO 0.72 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.61 1pf3 n GLY 345 N 2.61 2.41 3.76 -1.50 0.00 -1.26 -5.04 105.19 106.17 1pf3 n GLY 345 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1pf3 n GLY 345 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pf3 s LEU 346 N 0.00 4.49 0.23 0.99 1.43 -1.17 -4.98 118.68 119.67 1pf3 s LEU 346 Ca 0.00 2.20 -0.32 0.00 -1.03 0.00 0.00 54.13 54.99 1pf3 s LEU 346 Cb 0.00 -3.72 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 1pf3 s LEU 346 CO 0.00 -0.17 1.49 0.41 0.23 0.00 0.00 176.35 178.31 1pf3 n THR 347 N 1.01 0.72 -4.27 5.49 -1.04 -1.26 -4.78 114.28 110.14 1pf3 n THR 347 Ca -0.00 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.05 61.49 1pf3 n THR 347 Cb 0.46 -1.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.25 1pf3 n THR 347 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pf3 s VAL 348 N 0.21 4.16 -0.13 12.58 1.01 -1.26 -0.71 120.40 136.27 1pf3 s VAL 348 Ca 0.70 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1pf3 s VAL 348 Cb -0.62 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1pf3 s VAL 348 CO 0.46 0.48 -0.18 -0.13 0.00 0.00 0.00 175.10 175.73 1pf3 s ARG 349 N 0.39 2.60 -0.16 2.72 0.52 -0.56 -4.99 118.95 119.46 1pf3 s ARG 349 Ca -0.02 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 1pf3 s ARG 349 Cb -0.14 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1pf3 s ARG 349 CO 0.02 -0.06 0.04 0.15 0.02 0.00 0.00 175.30 175.47 1pf3 s LYS 350 N 0.96 3.79 -0.29 3.54 1.02 -1.26 -1.03 119.74 126.47 1pf3 s LYS 350 Ca -0.05 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1pf3 s LYS 350 Cb -0.15 -3.12 0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1pf3 s LYS 350 CO -0.03 0.35 0.01 -0.51 -0.92 0.00 0.00 175.35 174.25 1pf3 s LEU 351 N 0.14 3.20 -0.42 3.17 1.02 0.39 -4.95 118.68 121.24 1pf3 s LEU 351 Ca 0.04 -1.60 -0.19 0.00 0.02 0.00 0.00 54.13 52.39 1pf3 s LEU 351 Cb -0.12 -1.25 0.02 0.00 0.02 0.00 0.00 46.19 44.85 1pf3 s LEU 351 CO 0.01 -0.32 0.55 -1.58 0.02 0.00 0.00 176.35 175.03 1pf3 s GLN 352 N 1.29 3.28 0.34 1.70 2.00 -1.26 -1.35 119.66 125.65 1pf3 s GLN 352 Ca 0.03 -0.46 -0.26 0.00 -2.00 0.00 0.00 55.36 52.67 1pf3 s GLN 352 Cb -0.19 -3.93 -0.09 0.00 0.80 0.00 0.00 33.01 29.60 1pf3 s GLN 352 CO -0.11 -0.89 1.01 -0.51 -0.50 0.00 0.00 175.29 174.29 1pf3 s LEU 353 N 2.51 4.33 0.11 3.68 1.43 -0.23 -0.40 118.68 130.10 1pf3 s LEU 353 Ca 0.18 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 55.10 1pf3 s LEU 353 Cb -0.15 -3.98 0.04 0.00 0.03 0.00 0.00 46.19 42.12 1pf3 s LEU 353 CO 0.16 -0.21 0.41 -0.94 0.23 0.00 0.00 176.35 176.00 1pf3 s SER 354 N -1.44 -0.25 -0.02 2.29 1.04 -0.51 -4.70 113.70 110.11 1pf3 s SER 354 Ca 0.51 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.76 1pf3 s SER 354 Cb -0.23 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1pf3 s SER 354 CO 0.29 -0.81 -0.18 -0.04 0.98 0.00 0.00 173.24 173.48 1pf3 s MET 355 N -3.47 1.52 0.03 4.02 -1.94 -1.26 -0.95 119.30 117.25 1pf3 s MET 355 Ca 0.01 -0.63 -0.35 0.00 -1.71 0.00 0.00 55.69 53.01 1pf3 s MET 355 Cb 0.01 -1.43 -0.14 0.00 2.01 0.00 0.00 34.83 35.29 1pf3 s MET 355 CO -0.10 0.35 1.66 -3.47 -0.01 0.00 0.00 175.02 173.45 1pf3 n ASP 356 N 2.77 2.96 -0.30 3.03 -0.08 0.23 -4.84 116.55 120.31 1pf3 n ASP 356 Ca -0.16 1.05 0.14 0.00 -1.51 0.00 0.00 54.79 54.32 1pf3 n ASP 356 Cb 0.54 -1.35 0.39 0.00 2.34 0.00 0.00 41.12 43.03 1pf3 n ASP 356 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pf3 h PRO 357 N 6.93 0.64 -0.08 -0.67 0.11 -1.99 -2.17 132.00 134.77 1pf3 h PRO 357 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1pf3 h PRO 357 Cb 1.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pf3 h PRO 357 CO 0.90 0.42 0.03 1.98 -0.21 0.00 0.00 178.00 181.12 1pf3 h MET 358 N 0.66 0.12 -0.63 1.05 4.05 -1.99 -1.54 114.93 116.65 1pf3 h MET 358 Ca 0.51 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1pf3 h MET 358 Cb 0.92 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 1pf3 h MET 358 CO -0.27 0.25 0.39 1.25 0.23 0.00 0.00 176.91 178.77 1pf3 h LEU 359 N -0.04 0.74 -0.58 3.39 7.12 -1.85 -0.33 115.31 123.76 1pf3 h LEU 359 Ca 0.03 -0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 1pf3 h LEU 359 Cb 0.18 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1pf3 h LEU 359 CO -0.00 0.57 0.22 -0.78 -0.13 0.00 0.00 178.44 178.31 1pf3 h ASP 360 N 0.85 0.81 -0.06 1.25 3.58 -1.29 0.85 116.42 122.41 1pf3 h ASP 360 Ca 0.23 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1pf3 h ASP 360 Cb -0.05 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 1pf3 h ASP 360 CO -0.04 0.77 -0.03 0.24 -2.88 0.00 0.00 179.24 177.30 1pf3 h MET 361 N 0.80 0.12 -0.56 0.28 2.86 -1.08 -2.48 114.93 114.86 1pf3 h MET 361 Ca 0.19 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1pf3 h MET 361 Cb 0.22 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1pf3 h MET 361 CO -0.01 0.50 0.31 0.52 1.06 0.00 0.00 176.91 179.28 1pf3 h MET 362 N -0.27 0.78 -0.32 1.72 2.86 -0.94 -1.41 114.93 117.35 1pf3 h MET 362 Ca 0.01 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1pf3 h MET 362 Cb 0.46 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1pf3 h MET 362 CO 0.01 0.60 -0.18 0.78 1.06 0.00 0.00 176.91 179.18 1pf3 h GLY 363 N 0.76 0.74 1.31 8.32 0.00 -0.87 -1.74 103.07 111.59 1pf3 h GLY 363 Ca 0.20 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1pf3 h GLY 363 CO -0.03 0.63 -0.12 -0.33 0.00 0.00 0.00 176.54 176.69 1pf3 h MET 364 N 0.45 0.81 -0.60 4.80 2.86 -1.40 -1.97 114.93 119.89 1pf3 h MET 364 Ca 0.07 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1pf3 h MET 364 Cb 0.72 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1pf3 h MET 364 CO 0.05 0.89 0.29 0.37 1.06 0.00 0.00 176.91 179.57 1pf3 h GLN 365 N 0.73 0.86 -0.72 1.72 4.15 -1.10 -0.99 115.11 119.77 1pf3 h GLN 365 Ca 0.12 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1pf3 h GLN 365 Cb 0.61 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 1pf3 h GLN 365 CO 0.04 0.70 0.24 0.52 -1.93 0.00 0.00 178.83 178.40 1pf3 h MET 366 N 0.82 1.11 -0.46 1.69 2.86 -1.07 0.56 114.93 120.43 1pf3 h MET 366 Ca 0.21 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1pf3 h MET 366 Cb 0.12 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1pf3 h MET 366 CO -0.03 0.94 0.30 1.25 1.06 0.00 0.00 176.91 180.43 1pf3 h LEU 367 N 1.05 0.50 -0.42 1.22 5.85 -0.98 -2.00 115.31 120.54 1pf3 h LEU 367 Ca 0.23 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 1pf3 h LEU 367 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1pf3 h LEU 367 CO -0.01 0.36 -0.39 0.24 -0.34 0.00 0.00 178.44 178.30 1pf3 h MET 368 N 0.60 0.91 -0.79 1.25 2.86 -0.91 -1.47 114.93 117.38 1pf3 h MET 368 Ca 0.17 -0.48 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1pf3 h MET 368 Cb -0.05 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1pf3 h MET 368 CO -0.05 1.13 0.41 0.93 1.06 0.00 0.00 176.91 180.39 1pf3 h GLU 369 N 0.74 1.11 -0.02 1.72 5.08 -0.79 0.44 114.58 122.86 1pf3 h GLU 369 Ca 0.06 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1pf3 h GLU 369 Cb 0.98 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1pf3 h GLU 369 CO 0.09 0.84 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.55 1pf3 h LYS 370 N 1.11 0.15 0.00 2.33 3.64 -1.18 -3.39 116.57 119.24 1pf3 h LYS 370 Ca 0.28 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1pf3 h LYS 370 Cb 0.07 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pf3 h LYS 370 CO -0.04 0.82 -0.80 0.66 -2.27 0.00 0.00 179.45 177.82 1pf3 n TYR 371 N -4.59 0.00 -4.21 1.91 4.01 -0.57 -5.11 117.16 108.61 1pf3 n TYR 371 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1pf3 n TYR 371 Cb 0.43 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1pf3 n TYR 371 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pf3 n GLY 372 N 1.44 -1.23 0.35 2.72 0.00 0.15 -4.05 105.19 104.57 1pf3 n GLY 372 Ca 0.01 -1.25 0.18 0.00 0.00 0.00 0.00 46.02 44.96 1pf3 n GLY 372 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pf3 h ASP 373 N 0.00 0.00 0.43 1.61 3.32 -1.96 -1.10 116.42 118.73 1pf3 h ASP 373 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1pf3 h ASP 373 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pf3 h ASP 373 CO 0.00 0.00 -0.03 -0.61 -1.72 0.00 0.00 179.24 176.88 1pf3 h GLN 374 N 0.00 0.00 0.00 3.56 5.75 -1.96 -1.04 115.11 121.42 1pf3 h GLN 374 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1pf3 h GLN 374 Cb 0.67 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1pf3 h GLN 374 CO -0.00 0.03 0.00 0.00 -2.65 0.00 0.00 178.83 176.20 1pf3 n ALA 375 N -2.13 1.57 -0.95 3.38 0.00 -0.41 -2.14 120.51 119.83 1pf3 n ALA 375 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1pf3 n ALA 375 Cb 0.19 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.53 1pf3 n ALA 375 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1pf3 n MET 376 N -1.53 1.47 -1.74 0.00 2.81 -0.40 -0.96 117.12 116.77 1pf3 n MET 376 Ca 0.03 -2.26 -0.42 0.00 -1.81 0.00 0.00 57.70 53.24 1pf3 n MET 376 Cb 0.15 -1.34 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 1pf3 n MET 376 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pf3 n ALA 377 N -1.17 2.28 -1.55 3.04 0.00 -0.91 -2.03 120.51 120.17 1pf3 n ALA 377 Ca 0.12 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 1pf3 n ALA 377 Cb 0.57 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 1pf3 n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pf3 n GLY 378 N 1.61 1.62 0.00 0.00 0.00 -1.26 -4.76 105.19 102.40 1pf3 n GLY 378 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1pf3 n GLY 378 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pf3 n MET 379 N -2.50 0.00 -1.40 1.61 0.00 -0.86 -4.53 117.12 109.44 1pf3 n MET 379 Ca -0.18 0.00 -0.54 0.00 0.00 0.00 0.00 57.70 56.98 1pf3 n MET 379 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.72 1pf3 n MET 379 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1pf3 n ASP 403 N 0.00 0.94 0.15 6.12 2.03 -1.26 -4.98 116.55 119.55 1pf3 n ASP 403 Ca 0.00 0.95 0.12 0.00 0.52 0.00 0.00 54.79 56.38 1pf3 n ASP 403 Cb 0.00 -0.71 0.54 0.00 -0.72 0.00 0.00 41.12 40.23 1pf3 n ASP 403 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1pf3 n PHE 404 N 3.15 0.81 0.31 -0.67 -1.74 -1.26 -2.99 117.46 115.07 1pf3 n PHE 404 Ca 0.25 0.36 0.17 0.00 -0.56 0.00 0.00 57.45 57.66 1pf3 n PHE 404 Cb -0.05 -1.07 0.73 0.00 1.52 0.00 0.00 39.48 40.61 1pf3 n PHE 404 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1pf3 h HIS 405 N 0.00 0.00 -0.12 2.97 3.86 -1.95 -2.88 115.15 117.02 1pf3 h HIS 405 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1pf3 h HIS 405 Cb 0.23 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.39 1pf3 h HIS 405 CO 0.00 0.00 -0.92 0.72 0.86 0.00 0.00 177.93 178.59 1pf3 n HIS 406 N -2.86 0.40 0.17 2.45 8.25 -1.16 -4.26 115.22 118.20 1pf3 n HIS 406 Ca 0.00 -1.11 0.10 0.00 -0.26 0.00 0.00 57.72 56.46 1pf3 n HIS 406 Cb 0.23 -0.20 0.09 0.00 1.12 0.00 0.00 29.99 31.24 1pf3 n HIS 406 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pf3 h ALA 407 N 1.35 0.79 -3.12 -1.41 0.00 -1.22 -3.43 119.26 112.22 1pf3 h ALA 407 Ca -0.12 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 54.03 1pf3 h ALA 407 Cb 1.57 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 1pf3 h ALA 407 CO 0.14 0.12 -0.58 -0.80 0.00 0.00 0.00 179.25 178.12 1pf3 s ASN 408 N -5.95 5.62 0.10 0.00 0.02 -0.85 -0.60 114.94 113.27 1pf3 s ASN 408 Ca 0.04 0.17 -0.11 0.00 -1.02 0.00 0.00 52.86 51.94 1pf3 s ASN 408 Cb 0.07 -1.62 0.01 0.00 0.02 0.00 0.00 41.25 39.73 1pf3 s ASN 408 CO 0.72 0.32 0.26 -0.54 0.02 0.00 0.00 177.10 177.88 1pf3 s LYS 409 N -1.43 0.93 -0.06 -0.60 1.02 -0.12 -3.19 119.74 116.27 1pf3 s LYS 409 Ca 0.19 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.33 1pf3 s LYS 409 Cb -0.12 0.38 0.01 0.00 -0.52 0.00 0.00 37.83 37.58 1pf3 s LYS 409 CO 0.10 -0.32 -0.16 0.42 -0.92 0.00 0.00 175.35 174.47 1pf3 s ILE 410 N -3.84 1.39 -1.58 2.17 1.01 -0.43 -1.42 121.20 118.49 1pf3 s ILE 410 Ca 0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1pf3 s ILE 410 Cb 0.04 -1.23 0.10 0.00 0.01 0.00 0.00 42.46 41.38 1pf3 s ILE 410 CO -0.11 0.41 0.76 0.59 0.00 0.00 0.00 174.94 176.59 1pf3 n ASN 411 N 3.56 -3.03 0.00 3.58 3.02 0.46 -1.73 115.26 121.13 1pf3 n ASN 411 Ca -0.21 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1pf3 n ASN 411 Cb 0.52 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 1pf3 n ASN 411 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pf3 n GLY 412 N -1.61 0.52 2.95 7.41 0.00 -1.26 -4.99 105.19 108.21 1pf3 n GLY 412 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1pf3 n GLY 412 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pf3 s GLN 413 N -0.22 1.41 0.38 1.61 -0.21 -0.70 -5.04 119.66 116.88 1pf3 s GLN 413 Ca 0.00 -0.28 -0.27 0.00 0.02 0.00 0.00 55.36 54.84 1pf3 s GLN 413 Cb 0.00 -1.30 -0.09 0.00 1.00 0.00 0.00 33.01 32.62 1pf3 s GLN 413 CO 0.00 -0.09 1.27 0.00 -2.12 0.00 0.00 175.29 174.35 1pf3 s ALA 414 N 1.06 3.29 -0.30 6.09 0.00 -1.26 -1.31 121.76 129.32 1pf3 s ALA 414 Ca -0.08 1.17 -0.44 0.00 0.00 0.00 0.00 51.96 52.61 1pf3 s ALA 414 Cb -0.14 -3.46 -0.20 0.00 0.00 0.00 0.00 23.12 19.32 1pf3 s ALA 414 CO -0.01 -0.70 1.44 0.34 0.00 0.00 0.00 175.76 176.83 1pf3 n PHE 415 N 0.30 1.42 -3.98 0.00 7.35 -0.32 -4.94 117.46 117.29 1pf3 n PHE 415 Ca 0.03 1.05 -0.33 0.00 -0.76 0.00 0.00 57.45 57.44 1pf3 n PHE 415 Cb 0.44 -2.21 -0.14 0.00 0.35 0.00 0.00 39.48 37.92 1pf3 n PHE 415 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1pf3 s ASP 416 N 2.01 4.74 0.46 -2.13 -1.08 -1.26 -4.99 116.67 114.42 1pf3 s ASP 416 Ca 0.99 -1.69 0.18 0.00 -0.52 0.00 0.00 52.55 51.51 1pf3 s ASP 416 Cb -1.37 -1.64 1.09 0.00 -1.46 0.00 0.00 42.92 39.53 1pf3 s ASP 416 CO 0.72 -0.31 1.99 -0.03 0.52 0.00 0.00 175.17 178.05 1pf3 h MET 417 N 7.80 0.00 0.00 4.34 1.85 -1.98 -2.10 114.93 124.85 1pf3 h MET 417 Ca -0.14 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 1pf3 h MET 417 Cb 1.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.07 1pf3 h MET 417 CO 0.52 0.20 0.00 0.09 -0.40 0.00 0.00 176.91 177.32 1pf3 n ASN 418 N -4.06 0.00 -3.45 1.39 5.03 -1.26 -4.66 115.26 108.25 1pf3 n ASN 418 Ca -0.02 -0.08 -0.28 0.00 0.87 0.00 0.00 54.58 55.07 1pf3 n ASN 418 Cb 0.27 -0.30 -0.11 0.00 -1.02 0.00 0.00 39.78 38.63 1pf3 n ASN 418 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1pf3 s LYS 419 N -2.60 0.87 0.28 3.52 2.47 -0.79 -5.11 119.74 118.39 1pf3 s LYS 419 Ca 0.26 -1.92 -0.30 0.00 -1.56 0.00 0.00 55.97 52.45 1pf3 s LYS 419 Cb 0.19 -1.50 -0.13 0.00 -1.46 0.00 0.00 37.83 34.94 1pf3 s LYS 419 CO 0.45 -1.32 1.44 -2.30 0.16 0.00 0.00 175.35 173.77 1pf3 n PRO 420 N 3.20 2.25 0.13 4.03 -0.02 -1.26 -4.73 135.00 138.60 1pf3 n PRO 420 Ca 0.23 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.50 1pf3 n PRO 420 Cb 0.44 -2.48 0.15 0.00 -0.02 0.00 0.00 33.50 31.59 1pf3 n PRO 420 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1pf3 h MET 421 N 4.02 0.00 -2.85 -0.52 4.05 -1.10 -3.47 114.93 115.06 1pf3 h MET 421 Ca -0.46 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.05 1pf3 h MET 421 Cb 1.26 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.00 1pf3 h MET 421 CO 0.74 0.64 0.29 -0.59 0.23 0.00 0.00 176.91 178.21 1pf3 s PHE 422 N -3.46 -0.20 -0.33 1.39 -0.12 -1.26 -5.09 117.98 108.91 1pf3 s PHE 422 Ca -0.01 -0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 56.63 1pf3 s PHE 422 Cb 0.12 0.68 0.05 0.00 -0.63 0.00 0.00 43.02 43.24 1pf3 s PHE 422 CO 0.76 -1.11 0.08 0.00 -0.05 0.00 0.00 175.22 174.89 1pf3 s ALA 423 N -3.76 2.98 0.53 1.99 0.00 -1.26 -1.68 121.76 120.55 1pf3 s ALA 423 Ca 0.11 -1.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 1pf3 s ALA 423 Cb -0.05 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.83 1pf3 s ALA 423 CO 0.04 -1.37 1.00 0.00 0.00 0.00 0.00 175.76 175.43 1pf3 s ALA 424 N 1.32 3.01 0.58 0.00 0.00 0.75 -4.96 121.76 122.47 1pf3 s ALA 424 Ca -0.02 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1pf3 s ALA 424 Cb -0.20 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1pf3 s ALA 424 CO 0.01 -0.33 1.14 0.00 0.00 0.00 0.00 175.76 176.58 1pf3 s ALA 425 N -2.58 2.61 -0.09 0.00 0.00 -1.26 -4.27 121.76 116.16 1pf3 s ALA 425 Ca 0.60 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.20 1pf3 s ALA 425 Cb -0.11 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1pf3 s ALA 425 CO 0.32 -0.97 0.34 0.21 0.00 0.00 0.00 175.76 175.66 1pf3 s LYS 426 N -3.50 4.04 -0.81 0.00 2.20 -1.26 -4.49 119.74 115.92 1pf3 s LYS 426 Ca 0.72 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1pf3 s LYS 426 Cb -0.24 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1pf3 s LYS 426 CO 0.32 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 176.18 1pf3 n GLY 427 N 2.62 0.90 3.18 5.54 0.00 0.40 -4.99 105.19 112.84 1pf3 n GLY 427 Ca -0.13 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1pf3 n GLY 427 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pf3 s GLN 428 N -2.33 2.28 0.33 1.61 -0.21 -1.26 -5.00 119.66 115.08 1pf3 s GLN 428 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.36 1pf3 s GLN 428 Cb 0.00 -1.88 -0.11 0.00 1.00 0.00 0.00 33.01 32.02 1pf3 s GLN 428 CO 0.00 0.24 1.53 0.71 -2.12 0.00 0.00 175.29 175.65 1pf3 s TYR 429 N 0.12 2.68 0.13 0.91 2.02 -1.26 -4.52 117.35 117.44 1pf3 s TYR 429 Ca -0.08 1.00 0.06 0.00 -0.37 0.00 0.00 57.07 57.67 1pf3 s TYR 429 Cb -0.14 -4.03 -0.04 0.00 -0.40 0.00 0.00 41.96 37.35 1pf3 s TYR 429 CO 0.04 -3.22 -0.13 -1.21 -1.57 0.00 0.00 175.55 169.46 1pf3 s GLU 430 N -1.32 1.06 -0.29 -0.62 2.02 0.15 -4.41 118.70 115.29 1pf3 s GLU 430 Ca 0.58 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 1pf3 s GLU 430 Cb -0.47 -0.86 0.03 0.00 0.10 0.00 0.00 34.13 32.92 1pf3 s GLU 430 CO 0.55 0.15 0.03 0.50 0.02 0.00 0.00 175.26 176.52 1pf3 s ARG 431 N -2.98 2.83 -0.19 1.61 3.52 0.11 -1.30 118.95 122.57 1pf3 s ARG 431 Ca 0.12 -1.01 -0.07 0.00 -0.13 0.00 0.00 55.73 54.63 1pf3 s ARG 431 Cb -0.03 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1pf3 s ARG 431 CO 0.03 -0.49 0.06 -1.58 -0.81 0.00 0.00 175.30 172.51 1pf3 s TRP 432 N 1.39 3.23 -0.27 5.12 0.52 -0.39 -1.50 118.94 127.03 1pf3 s TRP 432 Ca -0.00 0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.10 1pf3 s TRP 432 Cb -0.18 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1pf3 s TRP 432 CO -0.00 0.11 0.01 0.08 0.02 0.00 0.00 176.95 177.16 1pf3 s VAL 433 N 0.47 3.39 -0.18 4.03 1.01 -0.20 -1.02 120.40 127.91 1pf3 s VAL 433 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1pf3 s VAL 433 Cb -0.13 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1pf3 s VAL 433 CO 0.01 0.14 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1pf3 s ILE 434 N 1.41 2.24 -0.10 2.22 1.09 0.32 -0.46 121.20 127.91 1pf3 s ILE 434 Ca 0.01 -0.88 0.01 0.00 -1.10 0.00 0.00 60.65 58.69 1pf3 s ILE 434 Cb -0.17 -1.95 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 1pf3 s ILE 434 CO -0.01 0.52 -0.11 -0.55 -0.10 0.00 0.00 174.94 174.70 1pf3 s SER 435 N 1.31 4.27 -0.07 3.58 0.15 -0.46 -1.03 113.70 121.45 1pf3 s SER 435 Ca 0.05 -0.20 0.14 0.00 0.70 0.00 0.00 55.95 56.64 1pf3 s SER 435 Cb -0.13 -1.34 0.44 0.00 -1.71 0.00 0.00 66.02 63.28 1pf3 s SER 435 CO -0.11 0.26 1.37 0.61 1.20 0.00 0.00 173.24 176.56 1pf3 n GLY 436 N 2.93 3.16 3.73 9.45 0.00 -0.03 -1.07 105.19 123.35 1pf3 n GLY 436 Ca -0.18 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1pf3 n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pf3 s VAL 437 N -1.69 2.25 0.00 1.61 1.01 -1.24 -2.61 120.40 119.73 1pf3 s VAL 437 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1pf3 s VAL 437 Cb 0.22 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1pf3 s VAL 437 CO 0.15 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1pf3 n GLY 438 N 3.24 1.75 3.59 4.51 0.00 -1.26 -4.93 105.19 112.08 1pf3 n GLY 438 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1pf3 n GLY 438 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pf3 s ASP 439 N -1.90 -0.11 -0.10 1.61 1.47 -1.07 -4.97 116.67 111.59 1pf3 s ASP 439 Ca 0.00 -0.86 0.13 0.00 1.18 0.00 0.00 52.55 53.00 1pf3 s ASP 439 Cb 0.00 0.59 0.37 0.00 -0.34 0.00 0.00 42.92 43.54 1pf3 s ASP 439 CO 0.00 -1.13 1.28 0.23 0.68 0.00 0.00 175.17 176.23 1pf3 n MET 440 N -0.37 2.67 -2.50 2.11 2.81 -1.26 -3.50 117.12 117.08 1pf3 n MET 440 Ca -0.03 -2.42 -0.29 0.00 -1.81 0.00 0.00 57.70 53.15 1pf3 n MET 440 Cb 0.62 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 1pf3 n MET 440 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1pf3 s LEU 441 N -2.09 3.60 -0.11 4.03 1.43 -1.26 -4.77 118.68 119.49 1pf3 s LEU 441 Ca 0.30 1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 54.33 1pf3 s LEU 441 Cb 0.23 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 1pf3 s LEU 441 CO 0.09 -0.59 0.73 -0.22 0.23 0.00 0.00 176.35 176.59 1pf3 s LEU 442 N -4.52 4.25 -0.37 1.79 2.96 -1.26 -4.34 118.68 117.19 1pf3 s LEU 442 Ca 0.51 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1pf3 s LEU 442 Cb -0.10 -3.10 0.11 0.00 0.50 0.00 0.00 46.19 43.59 1pf3 s LEU 442 CO 0.42 -0.22 0.13 -1.00 -1.32 0.00 0.00 176.35 174.35 1pf3 s HIS 443 N 1.35 2.68 -0.44 5.38 3.76 0.17 -4.85 115.29 123.34 1pf3 s HIS 443 Ca 0.37 -2.50 -0.29 0.00 -0.15 0.00 0.00 55.06 52.49 1pf3 s HIS 443 Cb -0.17 -2.32 0.02 0.00 1.11 0.00 0.00 32.58 31.22 1pf3 s HIS 443 CO 0.16 -0.87 1.30 -1.25 -0.85 0.00 0.00 174.74 173.22 1pf3 s PRO 444 N 0.89 3.64 -0.20 8.40 0.05 -1.26 -1.54 135.00 144.98 1pf3 s PRO 444 Ca 0.13 0.77 -0.17 0.00 0.05 0.00 0.00 61.00 61.78 1pf3 s PRO 444 Cb -0.20 -3.98 -0.04 0.00 0.05 0.00 0.00 34.50 30.33 1pf3 s PRO 444 CO -0.11 -1.49 0.43 0.12 0.05 0.00 0.00 177.00 176.00 1pf3 s PHE 445 N 5.02 3.37 -0.04 0.56 5.36 0.00 -0.24 117.98 132.01 1pf3 s PHE 445 Ca 0.56 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 57.24 1pf3 s PHE 445 Cb -0.11 -2.57 -0.02 0.00 -0.34 0.00 0.00 43.02 39.99 1pf3 s PHE 445 CO 0.32 -0.05 -0.23 -1.58 -1.46 0.00 0.00 175.22 172.22 1pf3 s HIS 446 N 1.44 2.45 -0.15 10.12 5.65 0.07 -1.06 115.29 133.81 1pf3 s HIS 446 Ca 0.20 -0.51 0.02 0.00 0.25 0.00 0.00 55.06 55.02 1pf3 s HIS 446 Cb -0.15 -1.57 0.01 0.00 -1.18 0.00 0.00 32.58 29.69 1pf3 s HIS 446 CO 0.09 -0.08 -0.21 0.42 -0.65 0.00 0.00 174.74 174.31 1pf3 s ILE 447 N -0.42 2.14 0.73 0.89 1.01 -1.12 -0.86 121.20 123.58 1pf3 s ILE 447 Ca 0.04 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 1pf3 s ILE 447 Cb -0.12 -1.87 0.04 0.00 0.01 0.00 0.00 42.46 40.52 1pf3 s ILE 447 CO 0.01 0.54 1.12 -1.00 0.00 0.00 0.00 174.94 175.62 1pf3 s HIS 448 N 0.87 2.46 -0.06 3.97 3.76 -0.35 -4.32 115.29 121.62 1pf3 s HIS 448 Ca -0.06 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1pf3 s HIS 448 Cb -0.15 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1pf3 s HIS 448 CO -0.03 -1.93 0.00 0.41 -0.85 0.00 0.00 174.74 172.35 1pf3 n GLY 449 N -0.58 0.47 3.40 -2.22 0.00 -1.26 -4.87 105.19 100.13 1pf3 n GLY 449 Ca 0.10 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1pf3 n GLY 449 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pf3 s THR 450 N -1.99 0.02 -0.18 2.61 -1.32 -1.26 -4.47 115.64 109.04 1pf3 s THR 450 Ca 0.00 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1pf3 s THR 450 Cb 0.00 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1pf3 s THR 450 CO 0.00 -0.08 -0.17 -1.10 -2.21 0.00 0.00 174.62 171.06 1pf3 s GLN 451 N -3.57 2.64 0.50 7.08 -1.52 -1.26 -4.73 119.66 118.80 1pf3 s GLN 451 Ca 0.01 -0.82 0.06 0.00 -1.95 0.00 0.00 55.36 52.66 1pf3 s GLN 451 Cb -0.00 -2.48 0.02 0.00 -0.22 0.00 0.00 33.01 30.33 1pf3 s GLN 451 CO -0.11 -0.28 0.40 -0.59 -0.25 0.00 0.00 175.29 174.46 1pf3 s PHE 452 N 1.33 1.96 -0.09 0.91 -0.12 0.12 -4.74 117.98 117.34 1pf3 s PHE 452 Ca 0.03 -0.73 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1pf3 s PHE 452 Cb -0.14 -2.00 -0.02 0.00 -0.63 0.00 0.00 43.02 40.23 1pf3 s PHE 452 CO -0.11 -0.38 -0.14 1.03 -0.05 0.00 0.00 175.22 175.57 1pf3 s ARG 453 N -4.24 2.99 -0.15 1.99 1.81 -0.75 -1.38 118.95 119.22 1pf3 s ARG 453 Ca 0.40 -0.70 -0.26 0.00 -1.72 0.00 0.00 55.73 53.45 1pf3 s ARG 453 Cb -0.02 -2.51 -0.01 0.00 -0.45 0.00 0.00 34.95 31.96 1pf3 s ARG 453 CO 0.24 0.39 0.88 0.42 -0.68 0.00 0.00 175.30 176.55 1pf3 s ILE 454 N -0.11 4.86 -0.19 1.52 1.01 -1.26 -0.58 121.20 126.45 1pf3 s ILE 454 Ca -0.02 1.75 -0.19 0.00 0.00 0.00 0.00 60.65 62.19 1pf3 s ILE 454 Cb -0.14 -4.19 -0.21 0.00 0.01 0.00 0.00 42.46 37.94 1pf3 s ILE 454 CO 0.04 0.03 0.26 -0.07 0.00 0.00 0.00 174.94 175.19 1pf3 h LEU 455 N 8.17 0.10 -7.52 2.97 3.38 -1.23 -3.43 115.31 117.75 1pf3 h LEU 455 Ca -0.30 -0.61 -0.27 0.00 0.09 0.00 0.00 57.88 56.79 1pf3 h LEU 455 Cb 1.14 -0.03 -0.32 0.00 0.09 0.00 0.00 40.66 41.53 1pf3 h LEU 455 CO 0.84 1.57 -0.68 -0.55 0.09 0.00 0.00 178.44 179.71 1pf3 s SER 456 N -6.90 0.00 -0.43 -0.43 0.15 -0.79 -4.42 113.70 100.88 1pf3 s SER 456 Ca -0.27 0.12 -0.09 0.00 0.70 0.00 0.00 55.95 56.41 1pf3 s SER 456 Cb 0.06 0.03 0.09 0.00 -1.71 0.00 0.00 66.02 64.49 1pf3 s SER 456 CO 0.63 -0.12 0.27 -0.70 1.20 0.00 0.00 173.24 174.53 1pf3 s GLU 457 N 0.94 2.55 -1.46 5.44 2.12 0.11 -0.93 118.70 127.46 1pf3 s GLU 457 Ca -0.08 -1.54 -0.11 0.00 0.36 0.00 0.00 54.97 53.61 1pf3 s GLU 457 Cb -0.11 -3.79 0.05 0.00 0.26 0.00 0.00 34.13 30.54 1pf3 s GLU 457 CO -0.03 -1.01 0.94 -1.71 -0.54 0.00 0.00 175.26 172.91 1pf3 n ASN 458 N 4.90 -5.43 0.00 -1.70 5.15 -1.15 -2.44 115.26 114.59 1pf3 n ASN 458 Ca -0.09 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1pf3 n ASN 458 Cb 0.42 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.35 1pf3 n ASN 458 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pf3 n GLY 459 N -1.72 0.78 3.23 8.20 0.00 0.14 -4.57 105.19 111.25 1pf3 n GLY 459 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1pf3 n GLY 459 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pf3 s LYS 460 N -0.70 0.66 0.53 1.61 1.02 -1.02 -5.07 119.74 116.77 1pf3 s LYS 460 Ca 0.00 -0.23 -0.22 0.00 0.02 0.00 0.00 55.97 55.54 1pf3 s LYS 460 Cb 0.00 0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 37.54 1pf3 s LYS 460 CO 0.00 -0.18 1.22 -2.30 -0.92 0.00 0.00 175.35 173.17 1pf3 n PRO 461 N 1.25 1.49 -2.08 -1.68 -0.02 -1.26 0.04 135.00 132.73 1pf3 n PRO 461 Ca -0.22 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 1pf3 n PRO 461 Cb 0.56 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1pf3 n PRO 461 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pf3 s PRO 462 N -2.70 3.53 0.75 0.52 0.04 -1.26 -4.71 135.00 131.17 1pf3 s PRO 462 Ca 0.71 1.94 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 1pf3 s PRO 462 Cb -0.44 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 31.79 1pf3 s PRO 462 CO 0.50 -0.79 1.10 0.00 0.04 0.00 0.00 177.00 177.86 1pf3 n ALA 463 N -0.69 0.02 -0.30 8.56 0.00 -1.26 -4.73 120.51 122.10 1pf3 n ALA 463 Ca 0.08 -0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.36 1pf3 n ALA 463 Cb 0.47 -2.20 0.21 0.00 0.00 0.00 0.00 19.45 17.93 1pf3 n ALA 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pf3 h ALA 464 N -0.42 1.27 0.00 0.00 0.00 -1.99 0.14 119.26 118.27 1pf3 h ALA 464 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pf3 h ALA 464 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pf3 h ALA 464 CO 0.47 0.01 0.00 -2.39 0.00 0.00 0.00 179.25 177.34 1pf3 n HIS 465 N -4.80 0.01 0.00 0.00 1.44 -1.26 -2.38 115.22 108.23 1pf3 n HIS 465 Ca 0.16 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.92 1pf3 n HIS 465 Cb 0.37 -0.51 0.11 0.00 0.12 0.00 0.00 29.99 30.09 1pf3 n HIS 465 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1pf3 n ARG 466 N -1.51 2.19 0.00 -1.40 1.74 0.42 -4.66 116.66 113.44 1pf3 n ARG 466 Ca 0.04 -1.74 0.13 0.00 -0.77 0.00 0.00 57.85 55.51 1pf3 n ARG 466 Cb 0.20 -1.23 0.40 0.00 -1.02 0.00 0.00 32.46 30.82 1pf3 n ARG 466 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pf3 n ALA 467 N 0.45 2.85 -1.56 7.54 0.00 -0.78 -4.66 120.51 124.36 1pf3 n ALA 467 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1pf3 n ALA 467 Cb 0.36 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1pf3 n ALA 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pf3 n GLY 468 N 1.27 1.00 3.63 0.00 0.00 -1.26 -4.72 105.19 105.12 1pf3 n GLY 468 Ca 0.15 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1pf3 n GLY 468 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pf3 s TRP 469 N 2.45 3.30 0.05 1.61 0.52 -1.26 -4.47 118.94 121.15 1pf3 s TRP 469 Ca 0.00 0.64 0.04 0.00 0.02 0.00 0.00 56.10 56.80 1pf3 s TRP 469 Cb 0.00 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.62 1pf3 s TRP 469 CO 0.00 -0.20 -0.11 0.15 0.02 0.00 0.00 176.95 176.81 1pf3 s LYS 470 N 2.02 0.66 0.00 4.98 -0.14 -0.48 -1.68 119.74 125.10 1pf3 s LYS 470 Ca 0.21 -0.84 0.03 0.00 -1.36 0.00 0.00 55.97 54.01 1pf3 s LYS 470 Cb -0.15 -0.54 0.03 0.00 -1.68 0.00 0.00 37.83 35.49 1pf3 s LYS 470 CO 0.09 0.11 0.70 -0.40 -0.76 0.00 0.00 175.35 175.09 1pf3 n ASP 471 N 1.41 1.46 -3.96 2.83 5.68 -1.26 0.12 116.55 122.83 1pf3 n ASP 471 Ca -0.22 -1.33 -0.15 0.00 -0.50 0.00 0.00 54.79 52.59 1pf3 n ASP 471 Cb 0.54 -0.01 -0.14 0.00 -1.14 0.00 0.00 41.12 40.37 1pf3 n ASP 471 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1pf3 s THR 472 N -0.41 0.40 -0.01 2.12 2.01 -1.26 -2.78 115.64 115.71 1pf3 s THR 472 Ca 0.04 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1pf3 s THR 472 Cb 0.02 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1pf3 s THR 472 CO 0.03 0.08 -0.10 0.54 -0.69 0.00 0.00 174.62 174.48 1pf3 s VAL 473 N -0.19 0.80 0.13 3.82 0.11 -0.22 -4.93 120.40 119.91 1pf3 s VAL 473 Ca 0.01 -0.43 -0.31 0.00 -2.93 0.00 0.00 61.98 58.33 1pf3 s VAL 473 Cb -0.02 -0.68 -0.08 0.00 -1.53 0.00 0.00 36.38 34.07 1pf3 s VAL 473 CO -0.00 0.23 1.32 -0.75 -3.33 0.00 0.00 175.10 172.57 1pf3 s LYS 474 N -0.18 4.37 -0.09 1.54 2.20 -1.26 -0.81 119.74 125.49 1pf3 s LYS 474 Ca 0.03 2.00 -0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1pf3 s LYS 474 Cb -0.04 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 1pf3 s LYS 474 CO -0.00 -0.34 -0.05 0.08 -0.36 0.00 0.00 175.35 174.67 1pf3 s VAL 475 N 0.81 0.81 -0.40 4.02 1.01 -0.59 -3.56 120.40 122.50 1pf3 s VAL 475 Ca 0.61 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.49 1pf3 s VAL 475 Cb -0.35 -0.87 0.17 0.00 0.00 0.00 0.00 36.38 35.34 1pf3 s VAL 475 CO 0.32 0.33 0.55 -0.70 0.00 0.00 0.00 175.10 175.60 1pf3 s GLU 476 N 1.70 0.78 0.00 2.72 2.12 -1.26 -0.65 118.70 124.11 1pf3 s GLU 476 Ca 0.03 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1pf3 s GLU 476 Cb -0.13 -0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.06 1pf3 s GLU 476 CO -0.06 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 1pf3 n GLY 477 N 4.23 0.36 0.00 -1.50 0.00 -1.23 -4.92 105.19 102.13 1pf3 n GLY 477 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pf3 n GLY 477 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pf3 n ASN 478 N -0.29 0.00 -4.16 1.61 2.85 -1.26 -4.45 115.26 109.56 1pf3 n ASN 478 Ca 0.00 -0.37 -0.27 0.00 -0.11 0.00 0.00 54.58 53.82 1pf3 n ASN 478 Cb 0.14 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.00 1pf3 n ASN 478 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pf3 s VAL 479 N -2.08 1.56 0.17 3.44 1.01 -1.26 -0.85 120.40 122.39 1pf3 s VAL 479 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1pf3 s VAL 479 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1pf3 s VAL 479 CO 0.00 0.45 -0.20 -0.44 0.00 0.00 0.00 175.10 174.91 1pf3 s SER 480 N 0.01 3.71 -0.03 3.32 0.01 -0.20 -0.69 113.70 119.84 1pf3 s SER 480 Ca -0.04 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.51 1pf3 s SER 480 Cb -0.12 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.70 1pf3 s SER 480 CO 0.03 0.13 -0.05 -1.61 0.41 0.00 0.00 173.24 172.15 1pf3 s GLU 481 N -2.54 0.71 0.10 12.44 2.02 -0.11 -0.52 118.70 130.79 1pf3 s GLU 481 Ca 0.20 -0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.11 1pf3 s GLU 481 Cb -0.09 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 1pf3 s GLU 481 CO 0.11 0.00 -0.16 0.14 0.02 0.00 0.00 175.26 175.37 1pf3 s VAL 482 N 0.52 1.33 -0.36 2.63 -7.23 -0.19 -0.65 120.40 116.46 1pf3 s VAL 482 Ca -0.07 -1.52 -0.09 0.00 -1.81 0.00 0.00 61.98 58.49 1pf3 s VAL 482 Cb -0.10 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.51 1pf3 s VAL 482 CO 0.00 -0.26 0.17 -0.22 -0.31 0.00 0.00 175.10 174.48 1pf3 s LEU 483 N -2.05 4.54 0.06 1.32 2.96 0.25 -1.27 118.68 124.49 1pf3 s LEU 483 Ca 0.04 -1.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.01 1pf3 s LEU 483 Cb -0.08 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1pf3 s LEU 483 CO 0.03 -0.35 -0.23 0.54 -1.32 0.00 0.00 176.35 175.01 1pf3 s VAL 484 N 1.50 1.88 -0.03 1.68 0.11 -0.42 -1.82 120.40 123.30 1pf3 s VAL 484 Ca 0.01 -1.34 -0.02 0.00 -2.93 0.00 0.00 61.98 57.70 1pf3 s VAL 484 Cb -0.19 -1.63 0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1pf3 s VAL 484 CO 0.05 0.23 0.07 -0.75 -3.33 0.00 0.00 175.10 171.37 1pf3 s LYS 485 N -1.34 0.04 -0.27 1.54 2.20 -1.26 -0.67 119.74 119.98 1pf3 s LYS 485 Ca 0.09 0.20 -0.07 0.00 -0.36 0.00 0.00 55.97 55.84 1pf3 s LYS 485 Cb -0.09 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1pf3 s LYS 485 CO 0.02 -0.10 0.06 -0.06 -0.36 0.00 0.00 175.35 174.91 1pf3 s PHE 486 N 0.69 3.09 -1.75 4.03 0.08 -1.26 -4.65 117.98 118.21 1pf3 s PHE 486 Ca -0.05 -0.78 0.27 0.00 0.12 0.00 0.00 56.93 56.49 1pf3 s PHE 486 Cb -0.08 -2.22 0.87 0.00 -0.57 0.00 0.00 43.02 41.02 1pf3 s PHE 486 CO -0.03 -0.50 1.64 0.09 -0.10 0.00 0.00 175.22 176.33 1pf3 n ASN 487 N 4.88 0.91 -4.09 1.36 5.03 -1.26 -0.45 115.26 121.62 1pf3 n ASN 487 Ca -0.16 -0.83 -0.13 0.00 0.87 0.00 0.00 54.58 54.34 1pf3 n ASN 487 Cb 0.50 0.08 -0.11 0.00 -1.02 0.00 0.00 39.78 39.23 1pf3 n ASN 487 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1pf3 s HIS 488 N -2.48 0.75 0.53 3.10 3.76 -1.26 -4.87 115.29 114.81 1pf3 s HIS 488 Ca 0.26 -0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 54.40 1pf3 s HIS 488 Cb 0.19 -0.44 -0.07 0.00 1.11 0.00 0.00 32.58 33.37 1pf3 s HIS 488 CO 0.50 -0.09 1.00 -0.51 -0.85 0.00 0.00 174.74 174.79 1pf3 s ASP 489 N -1.96 6.52 -0.19 1.40 1.01 -1.26 -4.81 116.67 117.38 1pf3 s ASP 489 Ca -0.04 1.59 -0.04 0.00 0.71 0.00 0.00 52.55 54.77 1pf3 s ASP 489 Cb -0.06 -2.51 0.10 0.00 1.01 0.00 0.00 42.92 41.45 1pf3 s ASP 489 CO -0.01 -0.66 0.30 0.00 0.21 0.00 0.00 175.17 175.01 1pf3 s ALA 490 N -2.62 -0.70 0.81 5.23 0.00 -1.26 -1.17 121.76 122.04 1pf3 s ALA 490 Ca 0.59 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 1pf3 s ALA 490 Cb -0.11 -1.33 0.15 0.00 0.00 0.00 0.00 23.12 21.84 1pf3 s ALA 490 CO 0.33 -0.99 1.13 -1.25 0.00 0.00 0.00 175.76 174.97 1pf3 s PRO 491 N 2.45 1.32 0.42 0.00 0.04 -1.25 -1.32 135.00 136.66 1pf3 s PRO 491 Ca 0.06 -0.75 0.11 0.00 0.04 0.00 0.00 61.00 60.46 1pf3 s PRO 491 Cb -0.14 -2.12 0.89 0.00 0.04 0.00 0.00 34.50 33.16 1pf3 s PRO 491 CO -0.12 -1.81 1.96 1.57 0.04 0.00 0.00 177.00 178.64 1pf3 h LYS 492 N -0.97 0.16 0.00 4.56 2.10 -1.99 -1.76 116.57 118.67 1pf3 h LYS 492 Ca -0.40 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1pf3 h LYS 492 Cb 1.26 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1pf3 h LYS 492 CO 0.41 0.29 0.00 0.93 -2.00 0.00 0.00 179.45 179.08 1pf3 h GLU 493 N 0.15 0.00 -1.62 0.07 3.07 -1.96 -3.33 114.58 110.97 1pf3 h GLU 493 Ca 0.03 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.41 1pf3 h GLU 493 Cb 0.32 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 27.88 1pf3 h GLU 493 CO 0.02 0.00 -1.01 0.72 -1.40 0.00 0.00 179.01 177.34 1pf3 n HIS 494 N -2.75 -0.78 -2.21 4.33 8.25 -0.73 -4.85 115.22 116.48 1pf3 n HIS 494 Ca 0.04 -3.30 -0.33 0.00 -0.26 0.00 0.00 57.72 53.87 1pf3 n HIS 494 Cb 0.43 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 1pf3 n HIS 494 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pf3 s ALA 495 N -1.14 2.81 0.51 -1.41 0.00 -0.77 -3.78 121.76 117.98 1pf3 s ALA 495 Ca 0.35 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1pf3 s ALA 495 Cb 0.23 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 1pf3 s ALA 495 CO -0.12 -0.62 1.11 0.71 0.00 0.00 0.00 175.76 176.84 1pf3 s TYR 496 N -2.36 2.79 0.14 0.00 2.02 -0.54 -4.82 117.35 114.59 1pf3 s TYR 496 Ca 0.64 1.55 0.03 0.00 -0.37 0.00 0.00 57.07 58.92 1pf3 s TYR 496 Cb -0.15 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 1pf3 s TYR 496 CO 0.32 -1.36 0.21 -1.64 -1.57 0.00 0.00 175.55 171.51 1pf3 s MET 497 N -3.17 3.22 -0.04 -0.62 -1.94 -1.26 -1.18 119.30 114.31 1pf3 s MET 497 Ca 0.70 -0.68 -0.00 0.00 -1.71 0.00 0.00 55.69 54.00 1pf3 s MET 497 Cb -0.23 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.79 1pf3 s MET 497 CO 0.26 0.52 0.01 0.00 -0.01 0.00 0.00 175.02 175.81 1pf3 s ALA 498 N -1.69 0.37 0.16 3.03 0.00 -0.28 -1.21 121.76 122.15 1pf3 s ALA 498 Ca 0.33 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 1pf3 s ALA 498 Cb -0.11 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1pf3 s ALA 498 CO 0.26 -0.20 0.82 -3.38 0.00 0.00 0.00 175.76 173.26 1pf3 s HIS 499 N 1.35 -0.26 0.18 0.00 -3.43 -0.04 -1.21 115.29 111.87 1pf3 s HIS 499 Ca -0.05 -0.03 -0.30 0.00 -0.80 0.00 0.00 55.06 53.88 1pf3 s HIS 499 Cb -0.13 0.62 -0.08 0.00 -1.43 0.00 0.00 32.58 31.56 1pf3 s HIS 499 CO -0.02 -0.89 1.23 0.00 -2.00 0.00 0.00 174.74 173.06 1pf3 n HIS 501 N 2.65 1.02 -2.58 0.00 -0.00 0.66 -4.14 115.22 112.83 1pf3 n HIS 501 Ca 0.05 -0.42 -0.42 0.00 0.46 0.00 0.00 57.72 57.39 1pf3 n HIS 501 Cb 0.44 -0.15 -0.03 0.00 -0.12 0.00 0.00 29.99 30.14 1pf3 n HIS 501 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1pf3 s LEU 502 N -1.37 3.39 0.36 0.27 0.20 -1.26 -4.78 118.68 115.50 1pf3 s LEU 502 Ca 0.38 -0.06 0.06 0.00 0.69 0.00 0.00 54.13 55.19 1pf3 s LEU 502 Cb 0.23 -2.99 0.70 0.00 -0.43 0.00 0.00 46.19 43.70 1pf3 s LEU 502 CO 0.20 -1.58 1.94 -0.07 -0.29 0.00 0.00 176.35 176.56 1pf3 h LEU 503 N 12.21 0.47 -1.28 -0.68 3.38 -1.43 -0.85 115.31 127.14 1pf3 h LEU 503 Ca -0.26 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1pf3 h LEU 503 Cb 1.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1pf3 h LEU 503 CO 1.21 0.48 -0.36 -0.33 0.09 0.00 0.00 178.44 179.53 1pf3 h GLU 504 N 0.51 0.00 -0.17 1.13 3.07 -1.86 -0.67 114.58 116.60 1pf3 h GLU 504 Ca 0.12 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1pf3 h GLU 504 Cb 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1pf3 h GLU 504 CO -0.00 0.36 -0.18 0.45 -1.40 0.00 0.00 179.01 178.23 1pf3 h HIS 505 N 0.00 0.50 -0.40 4.33 3.86 -1.40 -2.90 115.15 119.15 1pf3 h HIS 505 Ca -0.00 -0.16 0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1pf3 h HIS 505 Cb 0.65 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 1pf3 h HIS 505 CO 0.00 0.81 0.14 1.49 0.86 0.00 0.00 177.93 181.22 1pf3 h GLU 506 N 0.06 0.28 0.00 2.45 4.81 -1.00 -1.17 114.58 120.02 1pf3 h GLU 506 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pf3 h GLU 506 Cb 0.73 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1pf3 h GLU 506 CO 0.04 0.19 0.00 -0.44 -0.73 0.00 0.00 179.01 178.07 1pf3 h ASP 507 N 0.29 0.00 -0.36 1.04 3.32 -1.15 -2.64 116.42 116.93 1pf3 h ASP 507 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1pf3 h ASP 507 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1pf3 h ASP 507 CO -0.20 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.67 1pf3 n THR 508 N -2.69 2.07 0.00 0.35 -2.24 -1.07 -4.50 114.28 106.19 1pf3 n THR 508 Ca 0.01 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1pf3 n THR 508 Cb 0.28 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1pf3 n THR 508 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pf3 n GLY 509 N -0.00 0.93 2.77 3.38 0.00 -0.99 -2.00 105.19 109.27 1pf3 n GLY 509 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1pf3 n GLY 509 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pf3 n MET 510 N 0.00 3.33 -3.56 1.61 0.00 -0.47 -1.18 117.12 116.86 1pf3 n MET 510 Ca 0.00 -3.08 -0.17 0.00 -0.00 0.00 0.00 57.70 54.46 1pf3 n MET 510 Cb 0.00 -3.07 -0.06 0.00 0.00 0.00 0.00 33.22 30.09 1pf3 n MET 510 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1pf3 s MET 511 N 1.59 0.99 0.09 2.12 0.00 -1.26 -2.44 119.30 120.39 1pf3 s MET 511 Ca 0.44 0.49 0.03 0.00 0.00 0.00 0.00 55.69 56.66 1pf3 s MET 511 Cb 0.12 0.47 -0.03 0.00 0.00 0.00 0.00 34.83 35.39 1pf3 s MET 511 CO -0.04 -0.26 -0.10 -0.48 0.00 0.00 0.00 175.02 174.14 1pf3 s LEU 512 N -0.69 2.37 0.06 4.11 0.05 -0.35 -3.39 118.68 120.84 1pf3 s LEU 512 Ca -0.07 -0.76 -0.06 0.00 0.05 0.00 0.00 54.13 53.29 1pf3 s LEU 512 Cb -0.02 -0.29 -0.05 0.00 -2.05 0.00 0.00 46.19 43.79 1pf3 s LEU 512 CO 0.07 -0.25 0.31 -0.83 -0.55 0.00 0.00 176.35 175.10 1pf3 s GLY 513 N -2.27 2.25 0.01 -3.48 0.00 -1.26 -1.13 107.32 101.44 1pf3 s GLY 513 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1pf3 s GLY 513 CO -0.00 -0.44 0.11 -0.11 0.00 0.00 0.00 173.10 172.66 1pf3 s PHE 514 N -1.44 0.09 0.31 1.90 -0.71 -0.32 -0.41 117.98 117.38 1pf3 s PHE 514 Ca 0.33 -0.22 0.06 0.00 -1.04 0.00 0.00 56.93 56.06 1pf3 s PHE 514 Cb -0.13 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.59 1pf3 s PHE 514 CO 0.20 -0.28 0.40 0.95 -1.34 0.00 0.00 175.22 175.16 1pf3 s THR 515 N -1.49 4.33 0.00 -4.49 -4.23 -0.68 -1.46 115.64 107.62 1pf3 s THR 515 Ca -0.14 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1pf3 s THR 515 Cb -0.08 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1pf3 s THR 515 CO 0.01 -0.21 0.13 0.52 -0.54 0.00 0.00 174.62 174.53