#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca2 s TRP 5 N 0.00 1.96 0.00 4.41 1.48 -1.26 -4.84 118.94 120.69 3ca2 s TRP 5 Ca 0.00 1.60 0.00 0.00 -1.06 0.00 0.00 56.10 56.64 3ca2 s TRP 5 Cb 0.00 -3.53 0.00 0.00 -1.16 0.00 0.00 33.47 28.78 3ca2 s TRP 5 CO 0.00 -2.78 0.00 0.41 -4.06 0.00 0.00 176.95 170.52 3ca2 n GLY 6 N 0.55 2.35 0.27 3.67 0.00 -0.67 -5.03 105.19 106.32 3ca2 n GLY 6 Ca 0.14 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3ca2 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ca2 n TYR 7 N 0.00 0.00 -2.50 1.61 4.02 -1.26 -3.61 117.16 115.42 3ca2 n TYR 7 Ca 0.00 -0.80 -0.20 0.00 -0.01 0.00 0.00 57.90 56.89 3ca2 n TYR 7 Cb 0.00 -0.14 0.11 0.00 -0.02 0.00 0.00 39.34 39.29 3ca2 n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ca2 n GLY 8 N -1.01 0.52 0.24 2.72 0.00 -1.26 -4.69 105.19 101.70 3ca2 n GLY 8 Ca 0.12 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.25 3ca2 n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ca2 h LYS 9 N 0.00 0.00 0.00 1.61 3.64 -1.97 -0.62 116.57 119.23 3ca2 h LYS 9 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3ca2 h LYS 9 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3ca2 h LYS 9 CO 0.30 0.20 -1.16 0.72 -2.27 0.00 0.00 179.45 177.23 3ca2 n HIS 10 N -3.53 0.15 -1.62 1.91 8.25 -1.26 -4.58 115.22 114.54 3ca2 n HIS 10 Ca -0.01 0.04 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 3ca2 n HIS 10 Cb 0.35 -0.33 0.01 0.00 1.12 0.00 0.00 29.99 31.14 3ca2 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ca2 n ASN 11 N -1.88 0.18 -4.56 0.41 6.94 -1.13 -4.97 115.26 110.25 3ca2 n ASN 11 Ca 0.02 -1.78 -0.29 0.00 -0.02 0.00 0.00 54.58 52.51 3ca2 n ASN 11 Cb 0.43 -0.15 0.22 0.00 -2.36 0.00 0.00 39.78 37.92 3ca2 n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ca2 s GLY 12 N -0.82 1.56 0.50 4.83 0.00 -0.25 -1.67 107.32 111.46 3ca2 s GLY 12 Ca 0.02 -0.13 0.30 0.00 0.00 0.00 0.00 44.72 44.90 3ca2 s GLY 12 CO 0.00 0.53 1.81 -2.55 0.00 0.00 0.00 173.10 172.89 3ca2 h PRO 13 N -2.36 0.12 0.00 2.90 0.11 -1.84 -0.01 132.00 130.93 3ca2 h PRO 13 Ca -0.58 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.52 3ca2 h PRO 13 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ca2 h PRO 13 CO 0.52 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.54 3ca2 n GLU 14 N -4.34 0.09 -0.00 1.05 0.00 -1.26 -2.65 120.64 113.53 3ca2 n GLU 14 Ca 0.24 0.34 0.07 0.00 0.00 0.00 0.00 57.16 57.81 3ca2 n GLU 14 Cb 1.08 -1.67 -0.09 0.00 0.00 0.00 0.00 31.44 30.76 3ca2 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3ca2 n HIS 15 N -1.84 0.00 -0.07 -1.84 8.25 -0.02 -4.69 115.22 115.01 3ca2 n HIS 15 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 3ca2 n HIS 15 Cb 0.19 -0.13 0.50 0.00 1.12 0.00 0.00 29.99 31.67 3ca2 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ca2 h TRP 16 N 0.00 0.43 -0.46 4.41 6.55 -1.44 -2.87 115.95 122.57 3ca2 h TRP 16 Ca 0.00 0.01 0.13 0.00 0.95 0.00 0.00 58.89 59.98 3ca2 h TRP 16 Cb 0.46 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.60 3ca2 h TRP 16 CO 0.00 0.21 0.33 1.12 -1.05 0.00 0.00 178.44 179.05 3ca2 h HIS 17 N 0.41 0.03 -0.68 0.49 2.07 -1.79 0.11 115.15 115.77 3ca2 h HIS 17 Ca 0.26 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.76 3ca2 h HIS 17 Cb 0.48 -0.01 -0.03 0.00 2.57 0.00 0.00 27.41 30.42 3ca2 h HIS 17 CO -0.00 0.01 0.34 0.87 -3.07 0.00 0.00 177.93 176.08 3ca2 h LYS 18 N 0.02 0.98 0.00 5.12 1.57 -1.87 -2.44 116.57 119.95 3ca2 h LYS 18 Ca 0.22 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3ca2 h LYS 18 Cb 0.84 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3ca2 h LYS 18 CO -0.01 0.77 -1.76 -0.25 -0.57 0.00 0.00 179.45 177.63 3ca2 n ASP 19 N -4.46 0.25 -3.50 0.86 8.00 -0.98 -4.70 116.55 112.01 3ca2 n ASP 19 Ca 0.05 0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.37 3ca2 n ASP 19 Cb 0.12 1.46 -0.11 0.00 -0.02 0.00 0.00 41.12 42.57 3ca2 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ca2 s PHE 20 N -3.38 1.39 0.62 1.24 0.08 0.33 -5.01 117.98 113.26 3ca2 s PHE 20 Ca -0.06 -2.30 0.31 0.00 0.12 0.00 0.00 56.93 55.01 3ca2 s PHE 20 Cb 0.12 -1.23 1.74 0.00 -0.57 0.00 0.00 43.02 43.08 3ca2 s PHE 20 CO 0.87 -0.79 2.07 -1.00 -0.10 0.00 0.00 175.22 176.27 3ca2 h PRO 21 N 6.04 0.00 0.00 0.24 0.13 -1.68 0.44 132.00 137.17 3ca2 h PRO 21 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3ca2 h PRO 21 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3ca2 h PRO 21 CO 0.40 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.68 3ca2 n ILE 22 N -3.45 1.04 -0.03 -3.56 3.06 -1.26 -1.96 119.36 113.19 3ca2 n ILE 22 Ca 0.01 0.67 0.23 0.00 -2.50 0.00 0.00 62.75 61.16 3ca2 n ILE 22 Cb 0.35 -1.66 0.72 0.00 0.54 0.00 0.00 39.64 39.58 3ca2 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ca2 h ALA 23 N 2.03 2.51 -0.62 1.51 0.00 -1.22 0.17 119.26 123.64 3ca2 h ALA 23 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3ca2 h ALA 23 Cb 0.04 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 3ca2 h ALA 23 CO 0.00 -0.81 0.19 1.63 0.00 0.00 0.00 179.25 180.27 3ca2 n LYS 24 N -4.14 3.33 -0.99 0.00 5.02 -0.83 -4.96 118.16 115.60 3ca2 n LYS 24 Ca 0.12 -3.07 -0.30 0.00 -2.02 0.00 0.00 58.31 53.04 3ca2 n LYS 24 Cb 0.73 -2.11 0.26 0.00 -0.02 0.00 0.00 35.03 33.89 3ca2 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ca2 n GLY 25 N -0.36 -2.86 0.05 0.72 0.00 0.61 -4.99 105.19 98.36 3ca2 n GLY 25 Ca 0.37 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 45.04 3ca2 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ca2 n GLU 26 N -4.94 0.21 -2.66 1.61 -0.58 -1.26 -4.28 120.64 108.75 3ca2 n GLU 26 Ca 0.15 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.88 3ca2 n GLU 26 Cb 0.59 -1.65 0.03 0.00 -0.57 0.00 0.00 31.44 29.84 3ca2 n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ca2 n ARG 27 N -1.97 1.33 -2.92 3.49 1.85 -1.26 -4.60 116.66 112.57 3ca2 n ARG 27 Ca 0.04 -3.35 -0.32 0.00 -1.00 0.00 0.00 57.85 53.22 3ca2 n ARG 27 Cb 0.41 -1.33 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 3ca2 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ca2 s GLN 28 N -3.19 4.07 0.22 2.89 -1.52 -1.26 -2.63 119.66 118.23 3ca2 s GLN 28 Ca 0.28 0.86 0.10 0.00 -1.95 0.00 0.00 55.36 54.65 3ca2 s GLN 28 Cb 0.45 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 30.89 3ca2 s GLN 28 CO 0.02 0.03 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.78 3ca2 s SER 29 N -2.37 3.07 0.88 5.90 0.01 -1.26 -4.70 113.70 115.23 3ca2 s SER 29 Ca 0.58 -0.95 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 3ca2 s SER 29 Cb -0.10 -0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.10 3ca2 s SER 29 CO 0.18 -0.02 1.21 -2.16 0.41 0.00 0.00 173.24 172.86 3ca2 s PRO 30 N -3.20 0.92 0.13 12.44 0.04 -1.26 -4.59 135.00 139.48 3ca2 s PRO 30 Ca 0.23 -0.75 -0.01 0.00 0.04 0.00 0.00 61.00 60.51 3ca2 s PRO 30 Cb -0.05 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3ca2 s PRO 30 CO 0.10 -2.12 0.04 0.14 0.04 0.00 0.00 177.00 175.20 3ca2 s VAL 31 N -3.63 0.20 -0.03 -0.36 -7.23 -1.26 0.06 120.40 108.14 3ca2 s VAL 31 Ca 0.72 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.78 3ca2 s VAL 31 Cb -0.04 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 3ca2 s VAL 31 CO 0.50 -0.54 0.60 -0.62 -0.31 0.00 0.00 175.10 174.74 3ca2 s ASP 32 N -3.05 6.95 -0.45 4.85 3.68 -1.26 -3.14 116.67 124.25 3ca2 s ASP 32 Ca 0.22 1.13 -0.17 0.00 2.13 0.00 0.00 52.55 55.87 3ca2 s ASP 32 Cb 0.07 -2.37 0.04 0.00 -1.45 0.00 0.00 42.92 39.22 3ca2 s ASP 32 CO 0.01 0.05 0.44 -0.63 0.13 0.00 0.00 175.17 175.17 3ca2 s ILE 33 N 0.07 5.12 -0.49 4.11 1.01 0.05 -4.95 121.20 126.12 3ca2 s ILE 33 Ca 0.32 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 3ca2 s ILE 33 Cb -0.18 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.23 3ca2 s ILE 33 CO 0.17 -0.53 0.86 -0.62 0.00 0.00 0.00 174.94 174.82 3ca2 s ASP 34 N 2.20 6.40 0.44 3.58 3.68 -1.26 0.26 116.67 131.96 3ca2 s ASP 34 Ca 0.09 -0.17 0.20 0.00 2.13 0.00 0.00 52.55 54.80 3ca2 s ASP 34 Cb -0.20 -2.41 1.00 0.00 -1.45 0.00 0.00 42.92 39.86 3ca2 s ASP 34 CO 0.11 -1.05 1.90 0.71 0.13 0.00 0.00 175.17 176.97 3ca2 h THR 35 N 6.01 0.86 0.00 1.71 1.35 -1.95 -2.49 112.91 118.40 3ca2 h THR 35 Ca -0.25 -1.02 -0.16 0.00 -0.55 0.00 0.00 66.41 64.42 3ca2 h THR 35 Cb 1.08 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 3ca2 h THR 35 CO 1.02 0.26 -0.79 0.45 -0.25 0.00 0.00 175.52 176.20 3ca2 h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.32 115.15 118.39 3ca2 h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ca2 h HIS 36 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3ca2 h HIS 36 CO 0.00 0.77 -0.95 2.41 0.86 0.00 0.00 177.93 181.02 3ca2 n THR 37 N -3.28 0.47 -1.87 2.45 -1.04 -1.08 -4.92 114.28 105.01 3ca2 n THR 37 Ca 0.01 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.05 61.19 3ca2 n THR 37 Cb 0.85 -0.19 0.02 0.00 -1.82 0.00 0.00 70.33 69.19 3ca2 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ca2 s ALA 38 N -3.30 3.06 -0.26 2.41 0.00 -0.96 -4.89 121.76 117.82 3ca2 s ALA 38 Ca 0.01 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.21 3ca2 s ALA 38 Cb 0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3ca2 s ALA 38 CO 0.78 -1.17 0.15 0.21 0.00 0.00 0.00 175.76 175.73 3ca2 s LYS 39 N -2.62 3.88 0.05 0.00 2.36 -0.41 -4.86 119.74 118.14 3ca2 s LYS 39 Ca 0.65 -0.36 -0.30 0.00 -2.55 0.00 0.00 55.97 53.41 3ca2 s LYS 39 Cb -0.40 -3.54 -0.09 0.00 -1.05 0.00 0.00 37.83 32.75 3ca2 s LYS 39 CO 0.50 -0.14 1.82 -0.47 1.55 0.00 0.00 175.35 178.61 3ca2 s TYR 40 N 1.60 1.84 -0.29 4.03 6.14 -1.26 -0.15 117.35 129.26 3ca2 s TYR 40 Ca 0.07 -0.08 -0.01 0.00 0.64 0.00 0.00 57.07 57.68 3ca2 s TYR 40 Cb -0.15 -4.12 0.05 0.00 0.42 0.00 0.00 41.96 38.16 3ca2 s TYR 40 CO 0.08 -4.76 -0.03 0.34 0.64 0.00 0.00 175.55 171.82 3ca2 s ASP 41 N 3.41 4.73 0.10 4.32 3.68 -0.29 -4.86 116.67 127.77 3ca2 s ASP 41 Ca 0.81 -1.24 0.22 0.00 2.13 0.00 0.00 52.55 54.47 3ca2 s ASP 41 Cb -0.41 -1.68 0.88 0.00 -1.45 0.00 0.00 42.92 40.26 3ca2 s ASP 41 CO 0.36 -0.23 1.68 -0.81 0.13 0.00 0.00 175.17 176.31 3ca2 n PRO 42 N 4.60 0.09 0.00 4.34 -0.04 -1.26 -2.98 135.00 139.75 3ca2 n PRO 42 Ca -0.14 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.69 3ca2 n PRO 42 Cb 0.44 -1.64 0.57 0.00 -0.04 0.00 0.00 33.50 32.82 3ca2 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ca2 n SER 43 N -1.81 0.37 -4.71 3.54 3.41 -1.26 -4.80 113.62 108.36 3ca2 n SER 43 Ca 0.04 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 3ca2 n SER 43 Cb 0.26 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3ca2 n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ca2 s LEU 44 N -2.63 4.36 0.59 1.04 2.96 -1.16 -5.03 118.68 118.81 3ca2 s LEU 44 Ca 0.24 1.64 -0.09 0.00 -0.22 0.00 0.00 54.13 55.70 3ca2 s LEU 44 Cb 0.20 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 3ca2 s LEU 44 CO 0.51 -0.27 0.95 -0.54 -1.32 0.00 0.00 176.35 175.69 3ca2 s LYS 45 N 1.06 3.42 0.53 1.98 1.02 -1.24 -4.99 119.74 121.52 3ca2 s LYS 45 Ca 0.51 0.47 -0.20 0.00 0.02 0.00 0.00 55.97 56.77 3ca2 s LYS 45 Cb -0.21 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 3ca2 s LYS 45 CO 0.27 -0.53 1.16 -2.14 -0.92 0.00 0.00 175.35 173.19 3ca2 s PRO 46 N -5.05 3.40 0.48 -1.68 0.02 -1.26 -2.93 135.00 127.98 3ca2 s PRO 46 Ca 0.53 1.72 -0.22 0.00 0.02 0.00 0.00 61.00 63.05 3ca2 s PRO 46 Cb -0.11 -2.12 -0.07 0.00 0.02 0.00 0.00 34.50 32.22 3ca2 s PRO 46 CO 0.50 -0.84 1.13 -0.51 -0.33 0.00 0.00 177.00 176.95 3ca2 s LEU 47 N -3.61 3.94 -0.33 -5.54 1.43 -1.26 -2.16 118.68 111.14 3ca2 s LEU 47 Ca 0.71 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 56.02 3ca2 s LEU 47 Cb -0.27 -4.35 0.09 0.00 0.03 0.00 0.00 46.19 41.68 3ca2 s LEU 47 CO 0.31 -0.92 0.04 -0.55 0.23 0.00 0.00 176.35 175.46 3ca2 s SER 48 N -1.56 4.82 -0.37 2.29 0.15 0.62 -4.87 113.70 114.79 3ca2 s SER 48 Ca 0.66 -1.85 -0.09 0.00 0.70 0.00 0.00 55.95 55.37 3ca2 s SER 48 Cb -0.25 -1.67 0.05 0.00 -1.71 0.00 0.00 66.02 62.44 3ca2 s SER 48 CO 0.30 -0.36 0.18 -0.69 1.20 0.00 0.00 173.24 173.88 3ca2 s VAL 49 N 1.04 4.15 -0.70 4.45 1.01 -1.26 -0.87 120.40 128.22 3ca2 s VAL 49 Ca 0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 3ca2 s VAL 49 Cb -0.20 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 32.95 3ca2 s VAL 49 CO -0.06 -0.30 0.52 -0.44 0.00 0.00 0.00 175.10 174.83 3ca2 s SER 50 N 1.65 5.26 -0.03 3.32 0.01 -0.24 -4.91 113.70 118.75 3ca2 s SER 50 Ca 0.01 -3.29 0.11 0.00 1.31 0.00 0.00 55.95 54.09 3ca2 s SER 50 Cb -0.20 -1.81 0.32 0.00 0.21 0.00 0.00 66.02 64.54 3ca2 s SER 50 CO 0.04 -0.25 1.26 -1.22 0.41 0.00 0.00 173.24 173.48 3ca2 n TYR 51 N 2.86 0.50 0.19 2.43 0.53 -1.26 -1.57 117.16 120.84 3ca2 n TYR 51 Ca 0.13 -0.57 0.07 0.00 -1.02 0.00 0.00 57.90 56.51 3ca2 n TYR 51 Cb 0.36 -0.08 0.57 0.00 -1.03 0.00 0.00 39.34 39.17 3ca2 n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3ca2 h ASP 52 N 1.82 0.13 -0.55 7.72 2.03 -1.91 -2.60 116.42 123.07 3ca2 h ASP 52 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ca2 h ASP 52 Cb 0.83 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 3ca2 h ASP 52 CO 0.04 0.10 0.00 1.67 -1.03 0.00 0.00 179.24 180.02 3ca2 n GLN 53 N -4.51 3.93 -1.76 4.15 -0.06 -1.25 -5.01 117.38 112.87 3ca2 n GLN 53 Ca -0.01 -2.92 -0.42 0.00 -2.00 0.00 0.00 57.00 51.65 3ca2 n GLN 53 Cb 0.09 -1.97 -0.01 0.00 -4.06 0.00 0.00 30.24 24.30 3ca2 n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ca2 n ALA 54 N 0.67 2.28 -4.00 1.69 0.00 -0.98 -4.65 120.51 115.53 3ca2 n ALA 54 Ca 0.25 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 3ca2 n ALA 54 Cb 0.96 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.85 3ca2 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ca2 s THR 55 N -0.76 2.38 0.48 0.00 2.01 -1.26 -4.91 115.64 113.59 3ca2 s THR 55 Ca 0.57 -2.36 -0.19 0.00 0.31 0.00 0.00 61.69 60.01 3ca2 s THR 55 Cb -0.50 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 3ca2 s THR 55 CO 0.59 -0.62 1.00 -0.94 -0.69 0.00 0.00 174.62 173.96 3ca2 s SER 56 N 0.94 6.53 -0.02 3.53 1.04 -1.26 -1.45 113.70 123.01 3ca2 s SER 56 Ca 0.11 1.77 -0.01 0.00 0.48 0.00 0.00 55.95 58.30 3ca2 s SER 56 Cb -0.20 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 3ca2 s SER 56 CO -0.07 -0.65 -0.02 0.18 0.98 0.00 0.00 173.24 173.66 3ca2 n LEU 57 N -1.09 0.55 -3.86 2.42 4.77 0.24 -4.12 117.00 115.91 3ca2 n LEU 57 Ca 0.08 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 3ca2 n LEU 57 Cb 0.53 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3ca2 n LEU 57 CO 0.41 0.11 0.39 0.00 -1.33 0.00 0.00 177.39 176.97 3ca2 s ARG 58 N -2.03 1.69 -0.03 3.23 1.70 -1.19 -1.07 118.95 121.24 3ca2 s ARG 58 Ca -0.02 -1.02 0.04 0.00 -0.47 0.00 0.00 55.73 54.26 3ca2 s ARG 58 Cb 0.01 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 3ca2 s ARG 58 CO 0.03 -0.76 -0.17 -1.50 -1.08 0.00 0.00 175.30 171.82 3ca2 s ILE 59 N -3.93 1.37 -0.02 4.99 2.07 0.27 -0.50 121.20 125.44 3ca2 s ILE 59 Ca 0.13 -0.70 -0.04 0.00 -1.41 0.00 0.00 60.65 58.63 3ca2 s ILE 59 Cb -0.04 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.38 3ca2 s ILE 59 CO 0.06 0.39 0.10 -0.22 -1.91 0.00 0.00 174.94 173.37 3ca2 s LEU 60 N -0.06 1.65 -0.46 8.50 2.96 -0.22 -1.33 118.68 129.74 3ca2 s LEU 60 Ca -0.01 -0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 53.71 3ca2 s LEU 60 Cb -0.10 0.44 0.04 0.00 0.50 0.00 0.00 46.19 47.06 3ca2 s LEU 60 CO 0.01 -0.18 0.54 0.21 -1.32 0.00 0.00 176.35 175.61 3ca2 s ASN 61 N -0.59 6.23 -0.12 3.68 3.84 -0.63 -0.61 114.94 126.73 3ca2 s ASN 61 Ca -0.07 -0.73 0.16 0.00 0.21 0.00 0.00 52.86 52.43 3ca2 s ASN 61 Cb -0.04 -2.26 0.67 0.00 -0.55 0.00 0.00 41.25 39.07 3ca2 s ASN 61 CO 0.00 -0.73 1.56 -0.46 -2.79 0.00 0.00 177.10 174.69 3ca2 n ASN 62 N 5.89 4.50 0.00 -4.21 0.23 -0.48 -0.85 115.26 120.34 3ca2 n ASN 62 Ca -0.06 -2.48 0.00 0.00 -0.53 0.00 0.00 54.58 51.51 3ca2 n ASN 62 Cb 0.47 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 3ca2 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ca2 n GLY 63 N 0.97 1.31 0.00 4.83 0.00 -1.26 -4.80 105.19 106.24 3ca2 n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3ca2 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ca2 n HIS 64 N -2.00 0.00 -3.82 1.61 -0.00 -1.26 -4.70 115.22 105.05 3ca2 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3ca2 n HIS 64 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3ca2 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ca2 n ALA 65 N -0.37 -1.80 -3.06 1.59 0.00 -1.26 -4.89 120.51 110.72 3ca2 n ALA 65 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 3ca2 n ALA 65 Cb 0.00 0.20 -0.17 0.00 0.00 0.00 0.00 19.45 19.48 3ca2 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ca2 s PHE 66 N -3.11 2.26 -0.04 0.00 -0.12 -1.26 -1.38 117.98 114.34 3ca2 s PHE 66 Ca 0.15 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 3ca2 s PHE 66 Cb -0.01 -1.52 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 3ca2 s PHE 66 CO 0.01 -0.31 -0.05 -0.80 -0.05 0.00 0.00 175.22 174.03 3ca2 s ASN 67 N 0.19 4.76 -0.26 1.98 0.02 0.22 -4.21 114.94 117.64 3ca2 s ASN 67 Ca -0.12 -0.04 -0.08 0.00 -1.02 0.00 0.00 52.86 51.59 3ca2 s ASN 67 Cb -0.16 -1.19 -0.03 0.00 0.02 0.00 0.00 41.25 39.89 3ca2 s ASN 67 CO 0.06 0.33 0.10 -0.69 0.02 0.00 0.00 177.10 176.92 3ca2 s VAL 68 N -0.92 4.54 -0.06 1.60 1.01 -0.12 -1.05 120.40 125.39 3ca2 s VAL 68 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3ca2 s VAL 68 Cb -0.11 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3ca2 s VAL 68 CO 0.05 0.29 0.15 -1.61 0.00 0.00 0.00 175.10 173.98 3ca2 s GLU 69 N 1.64 3.40 0.23 2.72 2.02 0.34 -1.34 118.70 127.72 3ca2 s GLU 69 Ca 0.06 -0.24 0.11 0.00 0.02 0.00 0.00 54.97 54.92 3ca2 s GLU 69 Cb -0.15 -3.12 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 3ca2 s GLU 69 CO 0.05 0.72 -0.20 -0.06 0.02 0.00 0.00 175.26 175.80 3ca2 s PHE 70 N -1.16 2.14 -0.48 1.61 0.40 -0.46 -0.59 117.98 119.44 3ca2 s PHE 70 Ca 0.21 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 3ca2 s PHE 70 Cb -0.12 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.44 3ca2 s PHE 70 CO 0.11 0.56 1.20 0.34 0.70 0.00 0.00 175.22 178.12 3ca2 s ASP 71 N -3.14 6.55 -0.35 1.36 -1.08 -0.53 -4.79 116.67 114.69 3ca2 s ASP 71 Ca 0.24 0.48 0.07 0.00 -0.52 0.00 0.00 52.55 52.82 3ca2 s ASP 71 Cb -0.05 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.37 3ca2 s ASP 71 CO 0.11 -1.32 1.54 -0.90 0.52 0.00 0.00 175.17 175.12 3ca2 n ASP 72 N 8.13 3.54 -0.15 -0.34 3.85 -1.26 -4.63 116.55 125.69 3ca2 n ASP 72 Ca 0.12 -3.77 0.14 0.00 -0.71 0.00 0.00 54.79 50.57 3ca2 n ASP 72 Cb 0.49 -0.66 0.55 0.00 -1.35 0.00 0.00 41.12 40.15 3ca2 n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3ca2 n SER 73 N -1.05 0.62 -3.86 -1.12 3.41 -1.26 -4.87 113.62 105.49 3ca2 n SER 73 Ca 0.41 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 58.27 3ca2 n SER 73 Cb 1.06 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 3ca2 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ca2 s GLN 74 N -2.48 1.00 -1.21 4.33 -0.21 -1.26 -5.07 119.66 114.76 3ca2 s GLN 74 Ca 0.28 -1.00 -0.10 0.00 0.02 0.00 0.00 55.36 54.56 3ca2 s GLN 74 Cb 0.20 0.38 -0.07 0.00 1.00 0.00 0.00 33.01 34.52 3ca2 s GLN 74 CO 0.48 -0.35 2.39 -0.25 -2.12 0.00 0.00 175.29 175.45 3ca2 n ASP 75 N -0.14 5.80 0.03 5.90 9.92 -1.26 -4.57 116.55 132.23 3ca2 n ASP 75 Ca -0.12 -2.52 -0.22 0.00 -0.53 0.00 0.00 54.79 51.40 3ca2 n ASP 75 Cb 0.63 -1.33 -0.14 0.00 -0.64 0.00 0.00 41.12 39.64 3ca2 n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3ca2 h LYS 76 N 6.03 0.29 -3.73 -1.24 1.57 -1.88 -3.44 116.57 114.18 3ca2 h LYS 76 Ca 0.63 -0.50 -0.53 0.00 -1.87 0.00 0.00 60.65 58.37 3ca2 h LYS 76 Cb 0.33 0.19 -0.39 0.00 0.08 0.00 0.00 32.23 32.43 3ca2 h LYS 76 CO 1.69 1.24 -0.77 0.00 -0.57 0.00 0.00 179.45 181.04 3ca2 s ALA 77 N -2.51 1.18 0.13 3.86 0.00 -1.26 -3.75 121.76 119.40 3ca2 s ALA 77 Ca -0.19 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.02 3ca2 s ALA 77 Cb 0.05 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3ca2 s ALA 77 CO 0.79 -1.12 -0.09 0.14 0.00 0.00 0.00 175.76 175.49 3ca2 s VAL 78 N 1.77 0.97 -0.11 0.00 -7.23 -0.61 -1.48 120.40 113.71 3ca2 s VAL 78 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 3ca2 s VAL 78 Cb -0.17 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.01 3ca2 s VAL 78 CO -0.07 -0.80 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.48 3ca2 s LEU 79 N -3.10 2.03 0.27 1.32 0.20 0.00 -1.08 118.68 118.32 3ca2 s LEU 79 Ca 0.14 -0.54 -0.06 0.00 0.69 0.00 0.00 54.13 54.36 3ca2 s LEU 79 Cb 0.04 -1.35 -0.01 0.00 -0.43 0.00 0.00 46.19 44.44 3ca2 s LEU 79 CO -0.02 0.12 0.40 -1.59 -0.29 0.00 0.00 176.35 174.97 3ca2 s LYS 80 N 0.51 1.60 2.39 1.98 -2.85 -0.05 -1.89 119.74 121.42 3ca2 s LYS 80 Ca -0.15 -1.52 0.00 0.00 -1.00 0.00 0.00 55.97 53.30 3ca2 s LYS 80 Cb -0.17 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 3ca2 s LYS 80 CO 0.06 -0.64 0.00 0.41 0.10 0.00 0.00 175.35 175.28 3ca2 n GLY 81 N -0.42 -0.98 7.00 0.59 0.00 -1.26 -0.27 105.19 109.84 3ca2 n GLY 81 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3ca2 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ca2 n GLY 82 N 0.00 3.07 0.46 -0.02 0.00 -0.92 -1.23 105.19 106.55 3ca2 n GLY 82 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.81 3ca2 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ca2 n PRO 83 N 14.00 1.60 -2.11 1.61 -0.04 -1.26 -3.73 135.00 145.07 3ca2 n PRO 83 Ca 0.00 -0.90 -0.30 0.00 -0.04 0.00 0.00 63.50 62.26 3ca2 n PRO 83 Cb 0.00 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.11 3ca2 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ca2 s LEU 84 N -1.52 3.31 -0.20 1.53 1.43 -0.36 -5.07 118.68 117.79 3ca2 s LEU 84 Ca 0.30 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3ca2 s LEU 84 Cb 0.16 -4.22 0.04 0.00 0.03 0.00 0.00 46.19 42.20 3ca2 s LEU 84 CO 0.24 -0.84 -0.10 -1.81 0.23 0.00 0.00 176.35 174.07 3ca2 s ASP 85 N -4.18 3.46 0.00 2.29 -0.00 -1.26 -4.38 116.67 112.59 3ca2 s ASP 85 Ca 0.53 -0.92 0.00 0.00 -0.00 0.00 0.00 52.55 52.16 3ca2 s ASP 85 Cb -0.11 -1.24 0.00 0.00 -0.00 0.00 0.00 42.92 41.57 3ca2 s ASP 85 CO 0.51 -0.15 0.00 0.61 -0.00 0.00 0.00 175.17 176.14 3ca2 n GLY 86 N 4.67 -1.94 3.67 0.21 0.00 -1.26 -4.93 105.19 105.62 3ca2 n GLY 86 Ca -0.15 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3ca2 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca2 s THR 87 N 0.00 5.00 -0.13 2.61 2.01 -1.26 -4.49 115.64 119.38 3ca2 s THR 87 Ca 0.00 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.06 3ca2 s THR 87 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3ca2 s THR 87 CO 0.00 0.46 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.89 3ca2 s TYR 88 N 0.30 2.69 -0.16 4.92 2.02 -0.79 -1.15 117.35 125.18 3ca2 s TYR 88 Ca 0.05 -1.08 -0.11 0.00 -0.37 0.00 0.00 57.07 55.55 3ca2 s TYR 88 Cb -0.12 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 3ca2 s TYR 88 CO -0.00 -0.47 0.22 1.03 -1.57 0.00 0.00 175.55 174.76 3ca2 s ARG 89 N 0.62 4.09 0.12 -0.62 0.52 -0.33 -0.82 118.95 122.52 3ca2 s ARG 89 Ca -0.11 -0.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.76 3ca2 s ARG 89 Cb -0.16 -3.37 -0.08 0.00 0.52 0.00 0.00 34.95 31.85 3ca2 s ARG 89 CO 0.03 0.37 1.48 -1.17 0.02 0.00 0.00 175.30 176.03 3ca2 s LEU 90 N 0.10 4.37 -0.19 2.53 2.96 -0.55 -1.19 118.68 126.70 3ca2 s LEU 90 Ca 0.14 2.43 -0.06 0.00 -0.22 0.00 0.00 54.13 56.41 3ca2 s LEU 90 Cb -0.12 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 3ca2 s LEU 90 CO 0.02 -0.74 -0.22 0.00 -1.32 0.00 0.00 176.35 174.09 3ca2 n ILE 91 N 4.10 1.06 -3.67 6.68 3.06 -0.34 -4.50 119.36 125.75 3ca2 n ILE 91 Ca 0.13 -0.31 -0.09 0.00 -2.50 0.00 0.00 62.75 59.98 3ca2 n ILE 91 Cb 0.41 -1.57 -0.02 0.00 0.54 0.00 0.00 39.64 39.00 3ca2 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ca2 s GLN 92 N -2.36 1.56 0.06 9.51 1.03 -1.21 -1.36 119.66 126.89 3ca2 s GLN 92 Ca -0.26 -0.76 0.04 0.00 0.04 0.00 0.00 55.36 54.41 3ca2 s GLN 92 Cb 0.09 0.59 -0.03 0.00 0.03 0.00 0.00 33.01 33.70 3ca2 s GLN 92 CO 0.37 -0.70 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.72 3ca2 s PHE 93 N -3.82 0.94 0.30 9.60 -0.12 -0.45 -0.85 117.98 123.58 3ca2 s PHE 93 Ca 0.07 -0.49 -0.10 0.00 -0.05 0.00 0.00 56.93 56.35 3ca2 s PHE 93 Cb -0.04 -0.54 0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3ca2 s PHE 93 CO -0.01 -0.02 0.53 -3.38 -0.05 0.00 0.00 175.22 172.29 3ca2 s HIS 94 N -1.40 0.54 0.28 3.49 -3.43 -0.53 -0.95 115.29 113.28 3ca2 s HIS 94 Ca -0.05 -0.91 0.04 0.00 -0.80 0.00 0.00 55.06 53.33 3ca2 s HIS 94 Cb -0.10 0.22 -0.06 0.00 -1.43 0.00 0.00 32.58 31.22 3ca2 s HIS 94 CO 0.01 -1.14 0.03 -0.06 -2.00 0.00 0.00 174.74 171.58 3ca2 s PHE 95 N -3.43 1.75 -0.04 0.38 0.40 -1.26 -0.81 117.98 114.97 3ca2 s PHE 95 Ca 0.24 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.63 3ca2 s PHE 95 Cb -0.01 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.45 3ca2 s PHE 95 CO 0.13 -0.04 -0.08 -1.01 0.70 0.00 0.00 175.22 174.92 3ca2 s HIS 96 N -3.39 0.97 0.23 0.36 3.76 -0.55 -4.76 115.29 111.91 3ca2 s HIS 96 Ca 0.33 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 54.91 3ca2 s HIS 96 Cb 0.07 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.98 3ca2 s HIS 96 CO 0.12 -0.17 0.25 1.67 -0.85 0.00 0.00 174.74 175.76 3ca2 s TRP 97 N 0.58 0.96 0.35 1.40 -2.14 -1.22 -0.63 118.94 118.24 3ca2 s TRP 97 Ca -0.09 -1.21 0.02 0.00 2.66 0.00 0.00 56.10 57.48 3ca2 s TRP 97 Cb -0.13 -0.34 0.02 0.00 -3.10 0.00 0.00 33.47 29.93 3ca2 s TRP 97 CO 0.01 -0.77 0.19 0.41 -2.66 0.00 0.00 176.95 174.13 3ca2 n GLY 98 N -0.33 3.12 0.16 3.67 0.00 -1.15 -2.11 105.19 108.55 3ca2 n GLY 98 Ca 0.01 -2.27 0.08 0.00 0.00 0.00 0.00 46.02 43.84 3ca2 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ca2 h SER 99 N 0.53 0.00 -4.36 1.61 4.64 -1.90 -3.39 113.55 110.68 3ca2 h SER 99 Ca -0.24 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.82 3ca2 h SER 99 Cb 0.83 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.77 3ca2 h SER 99 CO 0.38 0.18 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.06 3ca2 s LEU 100 N -5.96 2.51 0.31 5.97 2.01 -1.26 -5.06 118.68 117.20 3ca2 s LEU 100 Ca 0.03 -1.01 0.25 0.00 0.01 0.00 0.00 54.13 53.41 3ca2 s LEU 100 Cb 0.07 -0.18 1.07 0.00 0.01 0.00 0.00 46.19 47.16 3ca2 s LEU 100 CO 0.74 -0.42 1.75 0.44 1.01 0.00 0.00 176.35 179.88 3ca2 h ASP 101 N 2.89 0.00 0.18 2.29 3.45 -1.91 -2.97 116.42 120.34 3ca2 h ASP 101 Ca -0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.10 3ca2 h ASP 101 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3ca2 h ASP 101 CO 0.64 0.00 -0.01 0.61 -1.57 0.00 0.00 179.24 178.91 3ca2 n GLY 102 N -0.11 -1.00 3.58 2.75 0.00 -1.26 -3.60 105.19 105.55 3ca2 n GLY 102 Ca 0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3ca2 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ca2 s GLN 103 N -2.19 1.51 0.00 1.61 -2.07 -1.12 -4.73 119.66 112.67 3ca2 s GLN 103 Ca 0.41 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 3ca2 s GLN 103 Cb 0.21 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.62 3ca2 s GLN 103 CO 0.40 -0.63 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 3ca2 n GLY 104 N -0.37 2.86 3.79 2.60 0.00 -1.00 -3.13 105.19 109.95 3ca2 n GLY 104 Ca -0.04 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3ca2 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ca2 s SER 105 N 0.00 4.85 -0.22 1.61 1.04 -0.29 -3.40 113.70 117.30 3ca2 s SER 105 Ca 0.00 1.62 -0.17 0.00 0.48 0.00 0.00 55.95 57.87 3ca2 s SER 105 Cb 0.00 -2.41 -0.14 0.00 0.10 0.00 0.00 66.02 63.57 3ca2 s SER 105 CO 0.00 -1.78 -0.05 -0.62 0.98 0.00 0.00 173.24 171.76 3ca2 n GLU 106 N -3.35 0.56 -2.67 4.02 1.02 -1.26 -4.84 120.64 114.12 3ca2 n GLU 106 Ca 0.08 0.45 -0.32 0.00 -0.02 0.00 0.00 57.16 57.34 3ca2 n GLU 106 Cb 0.54 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.27 3ca2 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ca2 s HIS 107 N -2.43 3.39 0.21 -0.32 3.76 -1.26 -4.36 115.29 114.27 3ca2 s HIS 107 Ca -0.30 1.45 0.08 0.00 -0.15 0.00 0.00 55.06 56.14 3ca2 s HIS 107 Cb 0.08 -2.75 -0.05 0.00 1.11 0.00 0.00 32.58 30.97 3ca2 s HIS 107 CO 0.50 -0.20 -0.16 0.95 -0.85 0.00 0.00 174.74 174.99 3ca2 s THR 108 N -2.37 1.82 -0.20 1.30 -4.23 -1.19 -4.70 115.64 106.07 3ca2 s THR 108 Ca 0.59 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3ca2 s THR 108 Cb -0.10 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.75 3ca2 s THR 108 CO 0.23 -0.53 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.94 3ca2 s VAL 109 N -2.78 1.95 -1.60 2.29 1.01 -0.69 -0.77 120.40 119.80 3ca2 s VAL 109 Ca 0.22 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 3ca2 s VAL 109 Cb -0.02 -1.90 0.11 0.00 0.00 0.00 0.00 36.38 34.57 3ca2 s VAL 109 CO 0.08 0.30 0.88 0.47 0.00 0.00 0.00 175.10 176.82 3ca2 n ASP 110 N 4.60 -3.98 0.00 3.32 10.43 0.14 0.81 116.55 131.87 3ca2 n ASP 110 Ca -0.17 -0.89 0.00 0.00 2.57 0.00 0.00 54.79 56.30 3ca2 n ASP 110 Cb 0.47 -3.38 0.00 0.00 1.84 0.00 0.00 41.12 40.05 3ca2 n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ca2 n LYS 111 N -4.54 -0.12 -2.75 -1.24 4.76 -1.26 -5.00 118.16 108.01 3ca2 n LYS 111 Ca 0.04 0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.10 3ca2 n LYS 111 Cb 0.52 -3.42 -0.04 0.00 -1.84 0.00 0.00 35.03 30.25 3ca2 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ca2 s LYS 112 N -0.48 4.69 -0.12 1.97 2.20 0.24 -5.01 119.74 123.23 3ca2 s LYS 112 Ca 0.00 1.42 -0.04 0.00 -0.36 0.00 0.00 55.97 57.00 3ca2 s LYS 112 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3ca2 s LYS 112 CO 0.00 0.23 0.01 0.15 -0.36 0.00 0.00 175.35 175.38 3ca2 s LYS 113 N -0.03 3.36 0.36 4.03 1.02 -1.26 -1.70 119.74 125.51 3ca2 s LYS 113 Ca 0.46 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.08 3ca2 s LYS 113 Cb -0.23 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3ca2 s LYS 113 CO 0.29 0.52 0.53 0.71 -0.92 0.00 0.00 175.35 176.48 3ca2 s TYR 114 N -0.37 3.23 0.41 3.18 1.51 -1.26 -4.66 117.35 119.38 3ca2 s TYR 114 Ca 0.07 0.00 0.22 0.00 -1.01 0.00 0.00 57.07 56.36 3ca2 s TYR 114 Cb -0.12 -2.04 1.24 0.00 -0.11 0.00 0.00 41.96 40.93 3ca2 s TYR 114 CO 0.02 -0.06 2.02 0.00 -1.11 0.00 0.00 175.55 176.42 3ca2 h ALA 115 N 0.75 1.39 -2.69 3.71 0.00 -1.51 -0.65 119.26 120.26 3ca2 h ALA 115 Ca -0.47 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.38 3ca2 h ALA 115 Cb 1.25 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3ca2 h ALA 115 CO 0.56 0.21 0.34 0.00 0.00 0.00 0.00 179.25 180.36 3ca2 s ALA 116 N -4.29 -1.51 -0.04 0.00 0.00 -1.17 -2.92 121.76 111.84 3ca2 s ALA 116 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3ca2 s ALA 116 Cb 0.14 0.73 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3ca2 s ALA 116 CO 0.63 -0.95 0.07 -2.00 0.00 0.00 0.00 175.76 173.51 3ca2 s GLU 117 N -3.58 0.01 -0.11 0.00 2.12 0.19 -1.15 118.70 116.18 3ca2 s GLU 117 Ca 0.09 0.25 -0.11 0.00 0.36 0.00 0.00 54.97 55.56 3ca2 s GLU 117 Cb -0.03 -0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.09 3ca2 s GLU 117 CO -0.00 -0.17 0.24 -1.17 -0.54 0.00 0.00 175.26 173.62 3ca2 s LEU 118 N 1.10 4.35 -0.16 2.70 2.96 0.96 -1.48 118.68 129.12 3ca2 s LEU 118 Ca -0.09 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 3ca2 s LEU 118 Cb -0.12 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.33 3ca2 s LEU 118 CO -0.04 0.29 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.17 3ca2 s HIS 119 N -0.50 2.00 -0.47 5.38 3.76 0.01 -1.23 115.29 124.24 3ca2 s HIS 119 Ca 0.16 -1.18 -0.17 0.00 -0.15 0.00 0.00 55.06 53.73 3ca2 s HIS 119 Cb -0.13 -1.48 0.05 0.00 1.11 0.00 0.00 32.58 32.13 3ca2 s HIS 119 CO 0.05 -0.65 0.45 -0.51 -0.85 0.00 0.00 174.74 173.24 3ca2 s LEU 120 N 1.54 5.27 -0.16 0.89 1.43 -0.70 -1.46 118.68 125.49 3ca2 s LEU 120 Ca 0.03 -1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 51.86 3ca2 s LEU 120 Cb -0.14 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3ca2 s LEU 120 CO -0.09 -0.68 0.61 -0.69 0.23 0.00 0.00 176.35 175.73 3ca2 s VAL 121 N 1.98 5.06 0.05 -1.59 1.01 -0.03 -1.92 120.40 124.96 3ca2 s VAL 121 Ca 0.08 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.30 3ca2 s VAL 121 Cb -0.21 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3ca2 s VAL 121 CO 0.10 0.18 -0.15 -1.00 0.00 0.00 0.00 175.10 174.23 3ca2 s HIS 122 N 1.47 1.27 0.05 5.22 3.76 -0.68 -1.20 115.29 125.18 3ca2 s HIS 122 Ca 0.30 -0.39 0.09 0.00 -0.15 0.00 0.00 55.06 54.91 3ca2 s HIS 122 Cb -0.16 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 3ca2 s HIS 122 CO 0.12 0.05 -0.24 1.67 -0.85 0.00 0.00 174.74 175.48 3ca2 s TRP 123 N -0.98 2.14 -0.16 1.40 1.48 -0.34 -0.38 118.94 122.10 3ca2 s TRP 123 Ca 0.01 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 3ca2 s TRP 123 Cb -0.09 -1.27 -0.04 0.00 -1.16 0.00 0.00 33.47 30.91 3ca2 s TRP 123 CO 0.02 0.13 1.73 1.21 -4.06 0.00 0.00 176.95 175.97 3ca2 s ASN 124 N -1.28 6.33 0.43 -2.66 3.84 -0.06 -1.19 114.94 120.35 3ca2 s ASN 124 Ca 0.10 1.87 0.30 0.00 0.21 0.00 0.00 52.86 55.34 3ca2 s ASN 124 Cb -0.10 -2.53 1.38 0.00 -0.55 0.00 0.00 41.25 39.45 3ca2 s ASN 124 CO 0.02 -1.26 1.90 0.71 -2.79 0.00 0.00 177.10 175.68 3ca2 h THR 125 N 6.11 0.00 0.00 -5.21 1.35 -1.48 -2.02 112.91 111.67 3ca2 h THR 125 Ca -0.37 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3ca2 h THR 125 Cb 1.18 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3ca2 h THR 125 CO 0.98 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.54 3ca2 n LYS 127 N -2.65 0.58 0.00 4.72 2.85 -1.26 -2.01 118.16 120.39 3ca2 n LYS 127 Ca 0.00 0.01 0.13 0.00 -1.05 0.00 0.00 58.31 57.41 3ca2 n LYS 127 Cb 0.19 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.48 3ca2 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ca2 n TYR 128 N -1.03 0.00 0.00 5.58 4.02 -0.76 -5.00 117.16 119.98 3ca2 n TYR 128 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3ca2 n TYR 128 Cb 0.08 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 3ca2 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ca2 n GLY 129 N 1.28 1.90 3.32 2.72 0.00 -0.85 -4.56 105.19 108.99 3ca2 n GLY 129 Ca 0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3ca2 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ca2 s ASP 130 N 0.00 -0.25 0.15 1.61 1.47 -1.26 -5.05 116.67 113.34 3ca2 s ASP 130 Ca 0.00 -0.29 -0.16 0.00 1.18 0.00 0.00 52.55 53.28 3ca2 s ASP 130 Cb 0.00 0.48 0.04 0.00 -0.34 0.00 0.00 42.92 43.10 3ca2 s ASP 130 CO 0.00 -0.85 1.78 0.15 0.68 0.00 0.00 175.17 176.93 3ca2 h PHE 131 N 2.38 0.34 -0.84 2.11 3.04 -1.94 -1.77 116.94 120.27 3ca2 h PHE 131 Ca -0.34 0.02 0.12 0.00 3.98 0.00 0.00 57.97 61.74 3ca2 h PHE 131 Cb 1.26 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 39.60 3ca2 h PHE 131 CO 0.33 0.18 0.55 0.78 -2.02 0.00 0.00 178.31 178.12 3ca2 h GLY 132 N 0.38 1.11 1.39 2.40 0.00 -1.96 -1.33 103.07 105.05 3ca2 h GLY 132 Ca 0.16 -0.30 -0.30 0.00 0.00 0.00 0.00 47.33 46.89 3ca2 h GLY 132 CO -0.11 0.14 -1.29 0.50 0.00 0.00 0.00 176.54 175.78 3ca2 h LYS 133 N 0.71 0.48 -0.84 4.80 1.79 -1.72 -3.33 116.57 118.47 3ca2 h LYS 133 Ca 0.40 -0.73 0.06 0.00 -2.18 0.00 0.00 60.65 58.21 3ca2 h LYS 133 Cb 0.57 0.26 -0.06 0.00 -1.58 0.00 0.00 32.23 31.41 3ca2 h LYS 133 CO -0.17 1.33 0.51 0.00 -1.08 0.00 0.00 179.45 180.05 3ca2 h ALA 134 N 0.37 1.15 0.00 3.86 0.00 -0.41 -2.57 119.26 121.67 3ca2 h ALA 134 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ca2 h ALA 134 Cb 1.98 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3ca2 h ALA 134 CO 0.23 0.25 0.00 1.33 0.00 0.00 0.00 179.25 181.06 3ca2 n VAL 135 N -4.64 1.46 0.00 0.00 0.24 -0.76 -1.98 118.33 112.65 3ca2 n VAL 135 Ca 0.12 0.36 0.11 0.00 -2.04 0.00 0.00 64.34 62.89 3ca2 n VAL 135 Cb 0.18 -1.23 0.28 0.00 -1.47 0.00 0.00 33.84 31.60 3ca2 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ca2 n GLN 136 N -1.50 2.49 -4.37 7.34 6.02 -0.97 -4.76 117.38 121.64 3ca2 n GLN 136 Ca 0.02 -2.30 -0.27 0.00 -0.01 0.00 0.00 57.00 54.43 3ca2 n GLN 136 Cb 0.09 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.74 3ca2 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca2 s GLN 137 N -1.18 1.69 0.39 -1.09 -1.52 -0.84 -5.03 119.66 112.08 3ca2 s GLN 137 Ca 0.43 -1.39 0.09 0.00 -1.95 0.00 0.00 55.36 52.53 3ca2 s GLN 137 Cb 0.22 -1.97 0.81 0.00 -0.22 0.00 0.00 33.01 31.85 3ca2 s GLN 137 CO 0.30 0.42 1.96 -1.00 -0.25 0.00 0.00 175.29 176.72 3ca2 h PRO 138 N 3.26 0.33 -0.42 2.91 0.13 -1.86 -2.91 132.00 133.43 3ca2 h PRO 138 Ca -0.47 -0.06 -0.29 0.00 -0.87 0.00 0.00 66.00 64.31 3ca2 h PRO 138 Cb 1.20 -0.05 -0.20 0.00 0.13 0.00 0.00 31.00 32.07 3ca2 h PRO 138 CO 0.49 0.37 -0.42 -0.40 -0.23 0.00 0.00 178.00 177.81 3ca2 n ASP 139 N -4.34 3.43 -0.16 1.44 3.85 -1.26 -4.34 116.55 115.17 3ca2 n ASP 139 Ca 0.00 -3.82 -0.11 0.00 -0.71 0.00 0.00 54.79 50.15 3ca2 n ASP 139 Cb 0.21 -0.52 -0.00 0.00 -1.35 0.00 0.00 41.12 39.46 3ca2 n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3ca2 h GLY 140 N 1.48 1.06 -2.77 6.12 0.00 -1.42 -3.43 103.07 104.10 3ca2 h GLY 140 Ca 0.23 -0.92 -0.52 0.00 0.00 0.00 0.00 47.33 46.12 3ca2 h GLY 140 CO 0.47 0.84 -0.76 1.08 0.00 0.00 0.00 176.54 178.17 3ca2 s LEU 141 N -9.12 2.51 -0.10 3.11 1.43 -0.23 -0.88 118.68 115.40 3ca2 s LEU 141 Ca -0.12 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 3ca2 s LEU 141 Cb 0.12 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.51 3ca2 s LEU 141 CO 0.86 -0.06 -0.08 0.00 0.23 0.00 0.00 176.35 177.31 3ca2 s ALA 142 N -2.47 1.26 -0.11 4.21 0.00 0.49 -0.99 121.76 124.14 3ca2 s ALA 142 Ca 0.22 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3ca2 s ALA 142 Cb -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.26 3ca2 s ALA 142 CO 0.09 -0.31 -0.23 0.08 0.00 0.00 0.00 175.76 175.39 3ca2 s VAL 143 N 1.51 2.15 -0.31 0.00 1.01 -0.41 -1.68 120.40 122.67 3ca2 s VAL 143 Ca 0.01 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 3ca2 s VAL 143 Cb -0.13 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3ca2 s VAL 143 CO -0.06 0.55 0.55 -0.76 0.00 0.00 0.00 175.10 175.39 3ca2 s LEU 144 N 0.46 4.18 -0.16 3.92 1.43 -0.81 -1.36 118.68 126.35 3ca2 s LEU 144 Ca -0.15 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 3ca2 s LEU 144 Cb -0.17 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3ca2 s LEU 144 CO 0.06 -0.42 -0.00 -0.83 0.23 0.00 0.00 176.35 175.39 3ca2 s GLY 145 N 1.66 1.79 -0.08 -3.19 0.00 0.16 -1.73 107.32 105.93 3ca2 s GLY 145 Ca 0.22 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3ca2 s GLY 145 CO 0.12 -0.09 -0.09 -0.42 0.00 0.00 0.00 173.10 172.62 3ca2 s ILE 146 N 0.22 0.98 0.34 0.90 1.01 -0.36 -0.71 121.20 123.58 3ca2 s ILE 146 Ca -0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 3ca2 s ILE 146 Cb -0.13 -0.95 -0.09 0.00 0.01 0.00 0.00 42.46 41.30 3ca2 s ILE 146 CO 0.02 0.33 0.80 -0.36 0.00 0.00 0.00 174.94 175.73 3ca2 s PHE 147 N 1.07 3.38 -0.09 3.97 0.08 -1.26 -0.03 117.98 125.10 3ca2 s PHE 147 Ca -0.07 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.37 3ca2 s PHE 147 Cb -0.14 -2.63 -0.00 0.00 -0.57 0.00 0.00 43.02 39.67 3ca2 s PHE 147 CO -0.01 0.06 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.42 3ca2 s LEU 148 N -2.94 2.08 0.21 -0.37 1.02 -0.30 -1.24 118.68 117.15 3ca2 s LEU 148 Ca 0.55 -0.55 0.09 0.00 0.02 0.00 0.00 54.13 54.25 3ca2 s LEU 148 Cb -0.11 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 3ca2 s LEU 148 CO 0.17 0.18 -0.09 -1.59 0.02 0.00 0.00 176.35 175.04 3ca2 s LYS 149 N 0.23 2.06 -0.13 1.70 -2.85 -0.45 -2.28 119.74 118.02 3ca2 s LYS 149 Ca -0.16 -1.37 -0.21 0.00 -1.00 0.00 0.00 55.97 53.24 3ca2 s LYS 149 Cb -0.17 -2.11 -0.04 0.00 -2.06 0.00 0.00 37.83 33.46 3ca2 s LYS 149 CO 0.08 0.40 0.60 0.08 0.10 0.00 0.00 175.35 176.61 3ca2 s VAL 150 N -1.95 5.09 0.00 1.79 1.01 -1.26 -1.63 120.40 123.45 3ca2 s VAL 150 Ca 0.27 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3ca2 s VAL 150 Cb -0.08 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3ca2 s VAL 150 CO 0.16 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3ca2 n GLY 151 N 3.38 1.43 3.81 4.51 0.00 0.55 -4.89 105.19 113.98 3ca2 n GLY 151 Ca -0.03 0.35 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 3ca2 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca2 s SER 152 N 2.00 5.79 0.54 1.61 0.01 -1.26 -3.87 113.70 118.52 3ca2 s SER 152 Ca 0.00 1.71 -0.20 0.00 1.31 0.00 0.00 55.95 58.78 3ca2 s SER 152 Cb 0.00 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 3ca2 s SER 152 CO 0.00 -1.16 1.14 0.00 0.41 0.00 0.00 173.24 173.63 3ca2 s ALA 153 N -2.67 2.69 -0.38 1.44 0.00 -1.26 -2.28 121.76 119.31 3ca2 s ALA 153 Ca 0.61 0.85 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 3ca2 s ALA 153 Cb -0.14 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.66 3ca2 s ALA 153 CO 0.42 -0.81 0.18 0.21 0.00 0.00 0.00 175.76 175.76 3ca2 s LYS 154 N -3.26 2.60 0.17 0.00 2.47 -1.25 -4.81 119.74 115.67 3ca2 s LYS 154 Ca 0.73 -1.31 -0.18 0.00 -1.56 0.00 0.00 55.97 53.65 3ca2 s LYS 154 Cb -0.25 -3.61 0.11 0.00 -1.46 0.00 0.00 37.83 32.62 3ca2 s LYS 154 CO 0.28 -0.80 1.64 -1.35 0.16 0.00 0.00 175.35 175.28 3ca2 h PRO 155 N 8.30 -0.09 0.00 4.03 0.11 -1.92 -2.35 132.00 140.09 3ca2 h PRO 155 Ca -0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3ca2 h PRO 155 Cb 1.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ca2 h PRO 155 CO 0.67 -0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 3ca2 n GLY 156 N -1.37 -0.93 0.09 -0.55 0.00 -1.26 -2.71 105.19 98.45 3ca2 n GLY 156 Ca 0.03 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3ca2 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ca2 n LEU 157 N -2.14 0.64 -0.21 0.99 7.94 -0.89 -4.52 117.00 118.81 3ca2 n LEU 157 Ca -0.00 0.25 0.10 0.00 -1.11 0.00 0.00 56.01 55.24 3ca2 n LEU 157 Cb 0.08 -0.05 0.38 0.00 0.53 0.00 0.00 43.42 44.37 3ca2 n LEU 157 CO 0.11 -0.14 1.22 -0.61 -1.11 0.00 0.00 177.39 176.86 3ca2 h GLN 158 N 0.00 0.67 -0.94 1.96 5.75 -1.57 -0.68 115.11 120.29 3ca2 h GLN 158 Ca 0.00 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 3ca2 h GLN 158 Cb 1.00 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.34 3ca2 h GLN 158 CO 0.00 0.44 0.61 0.87 -2.65 0.00 0.00 178.83 178.10 3ca2 h LYS 159 N 0.69 1.06 -0.03 1.69 1.57 -1.82 0.49 116.57 120.22 3ca2 h LYS 159 Ca 0.37 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3ca2 h LYS 159 Cb 0.50 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3ca2 h LYS 159 CO -0.14 0.70 -0.05 0.28 -0.57 0.00 0.00 179.45 179.68 3ca2 h VAL 160 N 1.10 1.41 -0.84 0.50 2.07 -1.47 -3.13 116.25 115.88 3ca2 h VAL 160 Ca 0.40 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.74 3ca2 h VAL 160 Cb 0.17 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.05 3ca2 h VAL 160 CO -0.15 0.34 0.49 0.58 0.02 0.00 0.00 177.57 178.85 3ca2 h VAL 161 N -0.40 0.90 -0.13 2.57 2.07 -0.20 -2.97 116.25 118.09 3ca2 h VAL 161 Ca 0.00 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3ca2 h VAL 161 Cb 0.58 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3ca2 h VAL 161 CO 0.01 0.15 -0.24 0.44 0.02 0.00 0.00 177.57 177.95 3ca2 h ASP 162 N 0.80 0.22 1.08 0.57 3.32 -0.94 -3.05 116.42 118.43 3ca2 h ASP 162 Ca 0.41 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3ca2 h ASP 162 Cb 0.40 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ca2 h ASP 162 CO -0.26 0.47 -0.18 0.55 -1.72 0.00 0.00 179.24 178.11 3ca2 n VAL 163 N -4.18 0.28 0.09 -1.35 3.14 -1.12 -4.17 118.33 111.01 3ca2 n VAL 163 Ca -0.01 -0.15 0.16 0.00 -2.96 0.00 0.00 64.34 61.38 3ca2 n VAL 163 Cb 0.35 -0.37 0.69 0.00 -1.06 0.00 0.00 33.84 33.45 3ca2 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ca2 h LEU 164 N 0.00 0.00 -0.71 6.55 3.38 -1.52 -1.74 115.31 121.27 3ca2 h LEU 164 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3ca2 h LEU 164 Cb 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 3ca2 h LEU 164 CO 0.00 0.00 0.39 0.44 0.09 0.00 0.00 178.44 179.36 3ca2 h ASP 165 N 0.00 0.57 0.62 -0.43 3.32 -1.80 -2.70 116.42 116.00 3ca2 h ASP 165 Ca 0.17 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3ca2 h ASP 165 Cb 0.68 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3ca2 h ASP 165 CO -0.00 0.35 -0.08 0.28 -1.72 0.00 0.00 179.24 178.07 3ca2 h SER 166 N 0.70 0.00 -0.85 6.45 0.02 -1.62 -3.29 113.55 114.95 3ca2 h SER 166 Ca 0.33 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.84 3ca2 h SER 166 Cb 0.25 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.37 3ca2 h SER 166 CO -0.21 0.08 -0.95 2.30 -1.14 0.00 0.00 176.83 176.92 3ca2 n ILE 167 N -3.32 1.90 -0.22 3.27 -5.35 -1.03 -4.72 119.36 109.89 3ca2 n ILE 167 Ca -0.01 -3.82 -0.02 0.00 -0.27 0.00 0.00 62.75 58.63 3ca2 n ILE 167 Cb 0.27 -0.20 0.09 0.00 -1.74 0.00 0.00 39.64 38.06 3ca2 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ca2 h LYS 168 N 2.51 0.61 -6.28 6.28 3.64 -1.61 -3.42 116.57 118.29 3ca2 h LYS 168 Ca 0.14 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.91 3ca2 h LYS 168 Cb 1.28 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 3ca2 h LYS 168 CO 0.57 0.40 -0.64 0.95 -2.27 0.00 0.00 179.45 178.47 3ca2 s THR 169 N -6.10 3.75 0.18 1.00 -4.23 -1.26 -1.15 115.64 107.83 3ca2 s THR 169 Ca -0.13 -1.56 -0.33 0.00 -1.18 0.00 0.00 61.69 58.49 3ca2 s THR 169 Cb 0.16 -2.94 -0.14 0.00 1.34 0.00 0.00 72.50 70.92 3ca2 s THR 169 CO 0.75 -0.22 1.51 1.17 -0.54 0.00 0.00 174.62 177.30 3ca2 n LYS 170 N -0.49 2.07 -0.06 3.99 4.81 -0.68 -2.29 118.16 125.51 3ca2 n LYS 170 Ca -0.08 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3ca2 n LYS 170 Cb 0.57 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.14 3ca2 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ca2 n GLY 171 N 2.98 1.17 3.82 3.14 0.00 -0.03 -4.43 105.19 111.85 3ca2 n GLY 171 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3ca2 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ca2 s LYS 172 N -0.58 4.19 0.04 1.61 -0.14 -0.97 -4.90 119.74 118.98 3ca2 s LYS 172 Ca 0.00 0.89 -0.04 0.00 -1.36 0.00 0.00 55.97 55.46 3ca2 s LYS 172 Cb 0.00 -2.57 -0.02 0.00 -1.68 0.00 0.00 37.83 33.56 3ca2 s LYS 172 CO 0.00 0.21 0.06 -1.54 -0.76 0.00 0.00 175.35 173.33 3ca2 s SER 173 N -1.98 0.22 -0.03 2.83 1.04 -1.26 -1.61 113.70 112.91 3ca2 s SER 173 Ca 0.52 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 56.31 3ca2 s SER 173 Cb -0.13 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3ca2 s SER 173 CO 0.18 -0.48 0.14 0.00 0.98 0.00 0.00 173.24 174.06 3ca2 s ALA 174 N -2.55 -0.34 0.37 5.32 0.00 -0.44 -4.93 121.76 119.19 3ca2 s ALA 174 Ca -0.05 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 3ca2 s ALA 174 Cb -0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 23.12 22.92 3ca2 s ALA 174 CO -0.04 -0.14 1.48 -0.25 0.00 0.00 0.00 175.76 176.81 3ca2 n ASP 175 N 2.25 3.76 -2.97 0.00 9.92 -1.26 -0.57 116.55 127.69 3ca2 n ASP 175 Ca -0.17 1.23 -0.16 0.00 -0.53 0.00 0.00 54.79 55.16 3ca2 n ASP 175 Cb 0.57 -1.62 -0.00 0.00 -0.64 0.00 0.00 41.12 39.43 3ca2 n ASP 175 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3ca2 n PHE 176 N 0.46 -1.80 -2.73 1.24 7.35 -0.24 -4.69 117.46 117.05 3ca2 n PHE 176 Ca 0.01 -2.69 -0.27 0.00 -0.76 0.00 0.00 57.45 53.75 3ca2 n PHE 176 Cb 0.39 0.62 0.00 0.00 0.35 0.00 0.00 39.48 40.84 3ca2 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ca2 s THR 177 N -0.36 4.74 -1.55 -2.13 -4.23 -1.26 -3.24 115.64 107.61 3ca2 s THR 177 Ca 0.33 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 3ca2 s THR 177 Cb 0.22 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 70.37 3ca2 s THR 177 CO -0.16 -0.74 0.87 0.59 -0.54 0.00 0.00 174.62 174.65 3ca2 n ASN 178 N -2.22 -4.38 -4.69 3.99 4.13 -1.26 -4.97 115.26 105.86 3ca2 n ASN 178 Ca 0.00 -0.78 -0.37 0.00 1.68 0.00 0.00 54.58 55.11 3ca2 n ASN 178 Cb 0.56 -3.52 -0.08 0.00 -1.54 0.00 0.00 39.78 35.20 3ca2 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3ca2 s PHE 179 N -3.25 3.40 -0.38 3.10 5.36 -1.26 -5.01 117.98 119.95 3ca2 s PHE 179 Ca 0.66 0.56 -0.14 0.00 -0.96 0.00 0.00 56.93 57.05 3ca2 s PHE 179 Cb -0.34 -2.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.93 3ca2 s PHE 179 CO 0.81 0.10 0.26 0.34 -1.46 0.00 0.00 175.22 175.27 3ca2 s ASP 180 N 0.82 6.03 0.21 6.13 3.68 -1.26 -4.41 116.67 127.87 3ca2 s ASP 180 Ca 0.17 -0.73 0.18 0.00 2.13 0.00 0.00 52.55 54.29 3ca2 s ASP 180 Cb -0.14 -2.13 0.86 0.00 -1.45 0.00 0.00 42.92 40.06 3ca2 s ASP 180 CO 0.06 -0.36 1.54 -0.81 0.13 0.00 0.00 175.17 175.73 3ca2 n PRO 181 N 5.12 0.12 0.26 4.34 -0.04 -1.26 -2.31 135.00 141.23 3ca2 n PRO 181 Ca -0.12 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 3ca2 n PRO 181 Cb 0.48 -1.81 0.69 0.00 -0.04 0.00 0.00 33.50 32.82 3ca2 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ca2 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -0.97 114.38 115.11 3ca2 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ca2 h ARG 182 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ca2 h ARG 182 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 3ca2 n GLY 183 N -1.43 -0.69 0.27 0.04 0.00 -0.98 -2.71 105.19 99.69 3ca2 n GLY 183 Ca -0.03 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.97 3ca2 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ca2 n LEU 184 N -1.12 1.39 -4.79 0.99 4.77 -0.37 -4.31 117.00 113.55 3ca2 n LEU 184 Ca 0.11 -0.69 -0.38 0.00 -0.03 0.00 0.00 56.01 55.02 3ca2 n LEU 184 Cb 0.09 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3ca2 n LEU 184 CO 0.12 0.28 0.45 -0.76 -1.33 0.00 0.00 177.39 176.15 3ca2 s LEU 185 N -2.25 4.50 1.04 2.23 1.43 -1.10 -4.95 118.68 119.58 3ca2 s LEU 185 Ca 0.11 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 54.61 3ca2 s LEU 185 Cb 0.13 -3.39 0.21 0.00 0.03 0.00 0.00 46.19 43.17 3ca2 s LEU 185 CO 0.48 0.15 1.16 -2.16 0.23 0.00 0.00 176.35 176.21 3ca2 s PRO 186 N -1.44 0.09 0.07 1.29 0.04 -1.26 -4.97 135.00 128.83 3ca2 s PRO 186 Ca 0.38 0.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.25 3ca2 s PRO 186 Cb -0.21 -1.74 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 3ca2 s PRO 186 CO 0.24 -2.86 1.55 1.49 0.04 0.00 0.00 177.00 177.46 3ca2 h GLU 187 N -1.97 0.29 -6.06 4.56 4.81 -1.92 -3.44 114.58 110.85 3ca2 h GLU 187 Ca -0.48 -0.08 -0.60 0.00 -0.13 0.00 0.00 59.36 58.08 3ca2 h GLU 187 Cb 1.30 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3ca2 h GLU 187 CO 0.46 0.45 -0.35 0.45 -0.73 0.00 0.00 179.01 179.30 3ca2 s SER 188 N -5.71 6.49 -0.14 1.04 0.15 -1.26 -5.00 113.70 109.26 3ca2 s SER 188 Ca -0.14 0.57 0.16 0.00 0.70 0.00 0.00 55.95 57.23 3ca2 s SER 188 Cb 0.06 -2.08 0.58 0.00 -1.71 0.00 0.00 66.02 62.87 3ca2 s SER 188 CO 0.71 0.13 1.49 0.18 1.20 0.00 0.00 173.24 176.95 3ca2 n LEU 189 N 0.46 4.20 -4.77 3.45 4.77 -1.26 -4.73 117.00 119.12 3ca2 n LEU 189 Ca -0.05 -2.70 -0.41 0.00 -0.03 0.00 0.00 56.01 52.82 3ca2 n LEU 189 Cb 0.52 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3ca2 n LEU 189 CO 0.46 0.71 1.00 -1.81 -1.33 0.00 0.00 177.39 176.42 3ca2 s ASP 190 N -1.36 6.74 0.27 -1.43 -0.00 -1.26 -4.76 116.67 114.87 3ca2 s ASP 190 Ca 0.43 2.70 -0.08 0.00 -0.00 0.00 0.00 52.55 55.59 3ca2 s ASP 190 Cb 0.31 -2.65 -0.01 0.00 -0.00 0.00 0.00 42.92 40.58 3ca2 s ASP 190 CO 0.15 -0.57 0.44 -0.72 -0.00 0.00 0.00 175.17 174.47 3ca2 s TYR 191 N -1.00 0.65 0.13 4.23 -0.85 -1.26 -1.24 117.35 118.01 3ca2 s TYR 191 Ca 0.50 -0.97 0.11 0.00 -0.52 0.00 0.00 57.07 56.19 3ca2 s TYR 191 Cb -0.40 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 41.93 3ca2 s TYR 191 CO 0.52 -1.00 -0.27 -1.58 -1.52 0.00 0.00 175.55 171.70 3ca2 s TRP 192 N -3.72 2.27 -0.01 -3.49 0.51 0.64 -0.76 118.94 114.37 3ca2 s TRP 192 Ca 0.27 -0.38 -0.04 0.00 -2.12 0.00 0.00 56.10 53.82 3ca2 s TRP 192 Cb 0.00 -1.23 0.00 0.00 -0.81 0.00 0.00 33.47 31.43 3ca2 s TRP 192 CO 0.13 0.32 0.09 -0.08 -0.51 0.00 0.00 176.95 176.90 3ca2 s THR 193 N -1.06 0.05 0.16 2.01 -1.32 -0.44 -0.67 115.64 114.37 3ca2 s THR 193 Ca 0.13 -0.42 -0.21 0.00 -1.21 0.00 0.00 61.69 59.98 3ca2 s THR 193 Cb -0.10 -0.28 0.05 0.00 -1.51 0.00 0.00 72.50 70.67 3ca2 s THR 193 CO 0.06 -0.23 0.55 -0.72 -2.21 0.00 0.00 174.62 172.07 3ca2 s TYR 194 N -0.75 -0.39 -0.12 9.09 -0.85 -1.10 -1.34 117.35 121.87 3ca2 s TYR 194 Ca -0.08 0.12 -0.24 0.00 -0.52 0.00 0.00 57.07 56.35 3ca2 s TYR 194 Cb -0.05 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 3ca2 s TYR 194 CO 0.00 -0.85 0.73 -1.25 -1.52 0.00 0.00 175.55 172.67 3ca2 s PRO 195 N -3.79 4.35 0.00 -3.49 0.04 -1.26 -1.01 135.00 129.84 3ca2 s PRO 195 Ca 0.03 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3ca2 s PRO 195 Cb -0.01 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3ca2 s PRO 195 CO -0.10 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.22 3ca2 n GLY 196 N 3.35 4.87 3.28 0.56 0.00 0.27 -4.85 105.19 112.68 3ca2 n GLY 196 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 3ca2 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ca2 s SER 197 N 1.28 1.52 0.64 1.61 1.04 -1.08 -2.11 113.70 116.61 3ca2 s SER 197 Ca 0.00 -1.70 -0.17 0.00 0.48 0.00 0.00 55.95 54.56 3ca2 s SER 197 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 3ca2 s SER 197 CO 0.00 -1.02 1.17 -0.76 0.98 0.00 0.00 173.24 173.60 3ca2 s LEU 198 N -3.36 3.51 0.00 2.42 1.43 -0.39 -4.48 118.68 117.82 3ca2 s LEU 198 Ca 0.40 2.23 0.23 0.00 -1.03 0.00 0.00 54.13 55.96 3ca2 s LEU 198 Cb 0.03 -4.58 0.49 0.00 0.03 0.00 0.00 46.19 42.16 3ca2 s LEU 198 CO 0.25 -1.71 1.43 0.35 0.23 0.00 0.00 176.35 176.89 3ca2 n THR 199 N -2.07 0.37 -4.14 5.49 -2.24 -1.26 -4.45 114.28 105.98 3ca2 n THR 199 Ca 0.12 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 3ca2 n THR 199 Cb 0.51 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 3ca2 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ca2 s THR 200 N -1.63 0.89 0.39 4.28 -4.23 -1.26 -4.71 115.64 109.37 3ca2 s THR 200 Ca 0.36 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.28 3ca2 s THR 200 Cb 0.21 -1.03 -0.12 0.00 1.34 0.00 0.00 72.50 72.90 3ca2 s THR 200 CO 0.30 -0.38 0.89 -2.65 -0.54 0.00 0.00 174.62 172.24 3ca2 n PRO 201 N 1.10 1.12 0.00 3.99 -0.02 -1.26 -1.16 135.00 138.78 3ca2 n PRO 201 Ca -0.20 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 3ca2 n PRO 201 Cb 0.55 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 32.23 3ca2 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ca2 n PRO 202 N 0.38 0.76 -3.62 0.52 -0.04 -1.26 -5.00 135.00 126.74 3ca2 n PRO 202 Ca 0.10 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 3ca2 n PRO 202 Cb 0.37 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 3ca2 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ca2 n LEU 203 N -0.53 -1.34 -4.75 1.53 4.77 -0.31 -4.91 117.00 111.46 3ca2 n LEU 203 Ca 0.01 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 3ca2 n LEU 203 Cb 0.00 -1.94 -0.02 0.00 -2.33 0.00 0.00 43.42 39.14 3ca2 n LEU 203 CO 0.01 0.16 1.12 -0.76 -1.33 0.00 0.00 177.39 176.59 3ca2 s LEU 204 N -6.61 4.38 -1.31 2.23 1.43 -1.26 -4.45 118.68 113.09 3ca2 s LEU 204 Ca 0.49 2.75 -0.09 0.00 -1.03 0.00 0.00 54.13 56.25 3ca2 s LEU 204 Cb -0.27 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.46 3ca2 s LEU 204 CO 0.61 -0.74 2.04 -0.62 0.23 0.00 0.00 176.35 177.87 3ca2 n GLU 205 N 2.07 3.83 -0.28 1.70 1.02 -1.26 -1.26 120.64 126.45 3ca2 n GLU 205 Ca 0.06 -3.44 0.06 0.00 -0.02 0.00 0.00 57.16 53.82 3ca2 n GLU 205 Cb 0.40 -2.87 0.09 0.00 -0.02 0.00 0.00 31.44 29.04 3ca2 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ca2 s VAL 207 N -1.72 2.88 -0.37 0.00 1.01 -0.90 -1.07 120.40 120.24 3ca2 s VAL 207 Ca 0.20 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3ca2 s VAL 207 Cb 0.18 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3ca2 s VAL 207 CO 0.01 0.58 0.32 -0.89 0.00 0.00 0.00 175.10 175.12 3ca2 s THR 208 N -0.51 5.22 0.01 3.92 2.01 -0.16 0.97 115.64 127.09 3ca2 s THR 208 Ca 0.07 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 3ca2 s THR 208 Cb -0.12 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 3ca2 s THR 208 CO 0.01 -0.16 0.41 0.26 -0.69 0.00 0.00 174.62 174.46 3ca2 s TRP 209 N 1.86 3.72 -0.28 4.92 0.52 -0.18 -1.28 118.94 128.22 3ca2 s TRP 209 Ca 0.08 0.99 -0.00 0.00 0.02 0.00 0.00 56.10 57.19 3ca2 s TRP 209 Cb -0.17 -2.29 0.08 0.00 -1.15 0.00 0.00 33.47 29.94 3ca2 s TRP 209 CO 0.11 0.64 0.05 0.42 0.02 0.00 0.00 176.95 178.19 3ca2 s ILE 210 N -1.10 1.07 -0.27 2.03 1.01 -0.46 -2.73 121.20 120.75 3ca2 s ILE 210 Ca 0.25 -1.30 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 3ca2 s ILE 210 Cb -0.17 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ca2 s ILE 210 CO 0.14 -0.47 0.06 -0.69 0.00 0.00 0.00 174.94 173.97 3ca2 s VAL 211 N 1.55 3.94 0.33 2.92 1.01 0.15 0.36 120.40 130.66 3ca2 s VAL 211 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3ca2 s VAL 211 Cb -0.18 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 3ca2 s VAL 211 CO -0.17 0.18 1.12 -0.76 0.00 0.00 0.00 175.10 175.47 3ca2 s LEU 212 N 1.52 4.38 0.14 3.92 1.43 0.11 -0.26 118.68 129.92 3ca2 s LEU 212 Ca 0.04 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 3ca2 s LEU 212 Cb -0.16 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 3ca2 s LEU 212 CO 0.02 -0.36 1.53 0.50 0.23 0.00 0.00 176.35 178.27 3ca2 h LYS 213 N 3.25 0.88 -5.52 1.70 3.64 -1.51 -3.43 116.57 115.58 3ca2 h LYS 213 Ca -0.48 -0.36 -0.60 0.00 -1.27 0.00 0.00 60.65 57.94 3ca2 h LYS 213 Cb 1.22 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 3ca2 h LYS 213 CO 0.65 1.01 -0.03 -2.00 -2.27 0.00 0.00 179.45 176.80 3ca2 s GLU 214 N -4.72 4.18 0.68 1.90 2.12 -1.26 -5.02 118.70 116.58 3ca2 s GLU 214 Ca -0.12 0.41 -0.11 0.00 0.36 0.00 0.00 54.97 55.51 3ca2 s GLU 214 Cb 0.11 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 3ca2 s GLU 214 CO 0.84 -0.17 1.07 -2.14 -0.54 0.00 0.00 175.26 174.32 3ca2 s PRO 215 N 1.71 3.05 0.08 4.30 0.02 -1.26 -4.69 135.00 138.21 3ca2 s PRO 215 Ca 0.24 0.68 0.04 0.00 0.02 0.00 0.00 61.00 61.97 3ca2 s PRO 215 Cb -0.15 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 3ca2 s PRO 215 CO 0.09 -0.95 0.02 0.96 -0.33 0.00 0.00 177.00 176.80 3ca2 s ILE 216 N -3.21 4.19 -0.01 2.83 -4.36 -0.37 -4.89 121.20 115.38 3ca2 s ILE 216 Ca 0.57 -0.89 -0.00 0.00 -0.26 0.00 0.00 60.65 60.07 3ca2 s ILE 216 Cb -0.12 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 3ca2 s ILE 216 CO 0.53 0.14 0.08 -0.94 0.24 0.00 0.00 174.94 174.99 3ca2 s SER 217 N -2.28 5.66 0.15 4.36 1.04 -1.26 -1.35 113.70 120.01 3ca2 s SER 217 Ca 0.26 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.89 3ca2 s SER 217 Cb -0.12 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 3ca2 s SER 217 CO 0.19 0.28 -0.12 0.68 0.98 0.00 0.00 173.24 175.24 3ca2 s VAL 218 N -1.18 1.31 0.50 5.02 -7.23 -0.65 -3.78 120.40 114.39 3ca2 s VAL 218 Ca 0.22 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 3ca2 s VAL 218 Cb -0.12 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3ca2 s VAL 218 CO 0.13 -0.61 0.82 -0.94 -0.31 0.00 0.00 175.10 174.19 3ca2 s SER 219 N -2.94 6.25 0.26 4.85 1.04 -1.18 -0.33 113.70 121.64 3ca2 s SER 219 Ca 0.15 0.99 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 3ca2 s SER 219 Cb -0.01 -2.27 0.51 0.00 0.10 0.00 0.00 66.02 64.36 3ca2 s SER 219 CO 0.02 -0.62 1.76 -1.28 0.98 0.00 0.00 173.24 174.09 3ca2 h SER 220 N 0.15 0.47 0.13 7.02 0.87 -1.93 -1.49 113.55 118.76 3ca2 h SER 220 Ca -0.47 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 3ca2 h SER 220 Cb 1.20 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 3ca2 h SER 220 CO 0.62 0.20 -0.33 1.05 -0.53 0.00 0.00 176.83 177.83 3ca2 h GLU 221 N 0.58 0.30 -0.11 2.24 9.09 -1.96 -1.43 114.58 123.30 3ca2 h GLU 221 Ca 0.45 -0.12 -0.02 0.00 0.05 0.00 0.00 59.36 59.71 3ca2 h GLU 221 Cb 0.64 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.72 3ca2 h GLU 221 CO -0.37 0.61 -0.00 1.96 0.05 0.00 0.00 179.01 181.25 3ca2 h GLN 222 N 0.26 0.20 -0.07 1.06 4.20 -1.67 -3.03 115.11 116.05 3ca2 h GLN 222 Ca 0.03 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3ca2 h GLN 222 Cb 0.72 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3ca2 h GLN 222 CO 0.05 0.46 -0.26 0.28 -0.67 0.00 0.00 178.83 178.69 3ca2 h VAL 223 N -0.08 1.22 -0.93 -0.54 2.07 -1.24 -2.98 116.25 113.77 3ca2 h VAL 223 Ca 0.03 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.59 3ca2 h VAL 223 Cb 0.37 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 3ca2 h VAL 223 CO 0.01 0.31 0.58 -0.07 0.02 0.00 0.00 177.57 178.42 3ca2 h LEU 224 N 0.12 0.89 -1.08 2.57 3.38 -1.15 -1.56 115.31 118.48 3ca2 h LEU 224 Ca 0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3ca2 h LEU 224 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ca2 h LEU 224 CO 0.04 0.54 -0.33 0.11 0.09 0.00 0.00 178.44 178.89 3ca2 h LYS 225 N 1.01 0.24 -0.62 1.13 1.57 -1.43 -2.69 116.57 115.78 3ca2 h LYS 225 Ca 0.42 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3ca2 h LYS 225 Cb 0.27 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3ca2 h LYS 225 CO -0.21 0.55 0.36 0.74 -0.57 0.00 0.00 179.45 180.32 3ca2 h PHE 226 N 0.21 0.83 0.00 -1.35 -1.00 -1.31 -2.33 116.94 111.99 3ca2 h PHE 226 Ca 0.03 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3ca2 h PHE 226 Cb 0.68 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.98 3ca2 h PHE 226 CO 0.01 0.58 0.00 0.54 -1.61 0.00 0.00 178.31 177.83 3ca2 n ARG 227 N -4.59 0.08 0.00 1.51 1.74 -1.02 -2.40 116.66 111.99 3ca2 n ARG 227 Ca 0.04 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.50 3ca2 n ARG 227 Cb 0.07 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.35 3ca2 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ca2 n LYS 228 N -1.37 0.12 -1.48 5.56 5.02 -0.88 -4.48 118.16 120.65 3ca2 n LYS 228 Ca 0.04 -0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 3ca2 n LYS 228 Cb 0.09 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.68 3ca2 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ca2 s LEU 229 N -2.92 2.80 -0.03 -0.35 1.02 -1.01 -4.87 118.68 113.32 3ca2 s LEU 229 Ca 0.14 1.50 0.08 0.00 0.02 0.00 0.00 54.13 55.86 3ca2 s LEU 229 Cb 0.18 -4.19 -0.02 0.00 0.02 0.00 0.00 46.19 42.18 3ca2 s LEU 229 CO 0.64 -1.87 -0.26 0.20 0.02 0.00 0.00 176.35 175.08 3ca2 s ASN 230 N -3.75 3.03 0.08 2.29 0.02 -0.30 0.43 114.94 116.73 3ca2 s ASN 230 Ca 0.60 -0.47 -0.09 0.00 -1.02 0.00 0.00 52.86 51.88 3ca2 s ASN 230 Cb -0.15 -0.41 -0.25 0.00 0.02 0.00 0.00 41.25 40.46 3ca2 s ASN 230 CO 0.55 0.31 1.15 -0.26 0.02 0.00 0.00 177.10 178.87 3ca2 h PHE 231 N 5.58 0.75 -4.28 2.20 0.05 -1.43 -3.35 116.94 116.46 3ca2 h PHE 231 Ca -0.41 -0.49 -0.51 0.00 3.82 0.00 0.00 57.97 60.38 3ca2 h PHE 231 Cb 1.13 -0.05 0.12 0.00 2.00 0.00 0.00 35.95 39.14 3ca2 h PHE 231 CO 0.40 1.35 0.34 0.54 -0.18 0.00 0.00 178.31 180.75 3ca2 s ASN 232 N -7.28 4.73 0.62 2.17 4.22 -1.26 -4.37 114.94 113.77 3ca2 s ASN 232 Ca -0.07 1.87 -0.05 0.00 -2.14 0.00 0.00 52.86 52.47 3ca2 s ASN 232 Cb 0.07 -2.53 0.03 0.00 1.28 0.00 0.00 41.25 40.10 3ca2 s ASN 232 CO 0.90 -1.88 0.91 -0.83 -2.04 0.00 0.00 177.10 174.16 3ca2 s GLY 233 N -3.16 1.67 0.28 0.45 0.00 -1.26 -1.68 107.32 103.62 3ca2 s GLY 233 Ca 0.63 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 3ca2 s GLY 233 CO 0.51 -0.58 1.50 -2.21 0.00 0.00 0.00 173.10 172.32 3ca2 n GLU 234 N -2.64 2.41 -0.98 2.90 2.13 -1.26 -2.24 120.64 120.95 3ca2 n GLU 234 Ca 0.06 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.74 3ca2 n GLU 234 Cb 0.59 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.72 3ca2 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ca2 n GLY 235 N 2.02 0.43 3.72 8.31 0.00 -1.26 -5.03 105.19 113.38 3ca2 n GLY 235 Ca 0.09 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3ca2 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ca2 s GLU 236 N -1.34 2.25 0.23 1.61 2.02 -0.95 -5.06 118.70 117.46 3ca2 s GLU 236 Ca 0.00 -1.73 -0.31 0.00 0.02 0.00 0.00 54.97 52.95 3ca2 s GLU 236 Cb 0.00 -2.04 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 3ca2 s GLU 236 CO 0.00 -0.01 1.61 -2.14 0.02 0.00 0.00 175.26 174.74 3ca2 s PRO 237 N -3.86 4.16 -0.00 0.39 0.02 -1.26 -4.90 135.00 129.55 3ca2 s PRO 237 Ca 0.39 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 3ca2 s PRO 237 Cb 0.01 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3ca2 s PRO 237 CO 0.22 -0.63 1.29 -2.00 -0.33 0.00 0.00 177.00 175.55 3ca2 s GLU 238 N 0.42 4.33 -0.25 5.54 2.12 -1.26 -4.76 118.70 124.84 3ca2 s GLU 238 Ca 0.68 1.83 -0.02 0.00 0.36 0.00 0.00 54.97 57.82 3ca2 s GLU 238 Cb -0.47 -3.51 0.08 0.00 0.26 0.00 0.00 34.13 30.49 3ca2 s GLU 238 CO 0.38 -0.47 0.06 -2.00 -0.54 0.00 0.00 175.26 172.70 3ca2 s GLU 239 N 2.04 0.67 0.21 4.30 2.12 -1.26 -5.07 118.70 121.71 3ca2 s GLU 239 Ca 0.60 -0.71 -0.32 0.00 0.36 0.00 0.00 54.97 54.90 3ca2 s GLU 239 Cb -0.29 -1.99 -0.13 0.00 0.26 0.00 0.00 34.13 31.98 3ca2 s GLU 239 CO 0.25 -0.81 1.51 1.28 -0.54 0.00 0.00 175.26 176.96 3ca2 n LEU 240 N 4.98 3.22 -4.51 2.70 4.77 -1.26 -1.21 117.00 125.69 3ca2 n LEU 240 Ca -0.06 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 3ca2 n LEU 240 Cb 0.44 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 3ca2 n LEU 240 CO 0.12 -0.32 1.19 -0.32 -1.33 0.00 0.00 177.39 176.72 3ca2 s MET 241 N 0.26 3.48 0.03 3.23 -2.45 0.17 -4.67 119.30 119.35 3ca2 s MET 241 Ca 0.73 -1.18 -0.03 0.00 -1.25 0.00 0.00 55.69 53.96 3ca2 s MET 241 Cb -0.65 -4.92 -0.02 0.00 1.25 0.00 0.00 34.83 30.49 3ca2 s MET 241 CO 0.43 -2.01 0.03 0.14 1.05 0.00 0.00 175.02 174.66 3ca2 s VAL 242 N 4.22 0.13 -1.27 10.11 -7.23 -1.26 -4.48 120.40 120.62 3ca2 s VAL 242 Ca 0.37 -1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3ca2 s VAL 242 Cb -0.05 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 3ca2 s VAL 242 CO -0.04 -0.60 0.71 0.47 -0.31 0.00 0.00 175.10 175.33 3ca2 n ASP 243 N 1.08 -2.06 -2.81 4.85 10.43 -0.89 -4.89 116.55 122.26 3ca2 n ASP 243 Ca -0.21 -0.85 -0.33 0.00 2.57 0.00 0.00 54.79 55.97 3ca2 n ASP 243 Cb 0.57 -4.01 -0.01 0.00 1.84 0.00 0.00 41.12 39.51 3ca2 n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3ca2 n ASN 244 N -3.02 7.04 -4.26 -2.24 6.94 -1.15 -4.90 115.26 113.67 3ca2 n ASN 244 Ca -0.26 -3.44 -0.25 0.00 -0.02 0.00 0.00 54.58 50.61 3ca2 n ASN 244 Cb 0.66 -1.19 -0.13 0.00 -2.36 0.00 0.00 39.78 36.76 3ca2 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ca2 s TRP 245 N -2.63 1.78 -0.15 -2.53 1.48 -1.26 -4.64 118.94 110.99 3ca2 s TRP 245 Ca 0.55 -0.39 -0.09 0.00 -1.06 0.00 0.00 56.10 55.11 3ca2 s TRP 245 Cb 0.37 -1.03 -0.05 0.00 -1.16 0.00 0.00 33.47 31.61 3ca2 s TRP 245 CO -0.27 0.13 0.15 0.50 -4.06 0.00 0.00 176.95 173.40 3ca2 s ARG 246 N -1.45 3.81 0.77 3.25 3.52 -1.26 -4.96 118.95 122.62 3ca2 s ARG 246 Ca 0.07 -0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.43 3ca2 s ARG 246 Cb -0.09 -3.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.05 3ca2 s ARG 246 CO 0.03 0.55 1.09 -1.25 -0.81 0.00 0.00 175.30 174.90 3ca2 s PRO 247 N -0.38 2.32 0.36 5.12 0.04 -1.26 -4.65 135.00 136.56 3ca2 s PRO 247 Ca 0.12 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.03 3ca2 s PRO 247 Cb -0.12 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 3ca2 s PRO 247 CO 0.02 -1.59 1.11 0.00 0.04 0.00 0.00 177.00 176.58 3ca2 n ALA 248 N -3.48 0.47 -2.71 8.56 0.00 -1.26 -4.42 120.51 117.67 3ca2 n ALA 248 Ca 0.09 0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.62 3ca2 n ALA 248 Cb 0.53 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 3ca2 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ca2 s GLN 249 N -1.85 2.57 0.28 0.00 -1.52 0.11 -4.92 119.66 114.32 3ca2 s GLN 249 Ca 0.59 -1.27 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 3ca2 s GLN 249 Cb -0.60 -2.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.74 3ca2 s GLN 249 CO 0.59 0.36 1.60 -2.14 -0.25 0.00 0.00 175.29 175.46 3ca2 s PRO 250 N -3.76 4.13 0.25 2.91 0.02 -1.26 -4.51 135.00 132.79 3ca2 s PRO 250 Ca 0.32 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.90 3ca2 s PRO 250 Cb -0.07 -3.04 0.32 0.00 0.02 0.00 0.00 34.50 31.73 3ca2 s PRO 250 CO 0.22 -0.64 1.71 1.25 -0.33 0.00 0.00 177.00 179.21 3ca2 h LEU 251 N 5.14 0.67 0.00 -5.54 5.85 -1.95 -3.44 115.31 116.04 3ca2 h LEU 251 Ca -0.46 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3ca2 h LEU 251 Cb 1.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3ca2 h LEU 251 CO 0.82 0.84 0.00 0.29 -0.34 0.00 0.00 178.44 180.05 3ca2 n LYS 252 N -4.15 0.00 -0.00 1.25 5.02 -1.26 -2.69 118.16 116.32 3ca2 n LYS 252 Ca 0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3ca2 n LYS 252 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 3ca2 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ca2 n ASN 253 N 5.06 2.76 -4.57 4.39 4.05 -1.26 -4.90 115.26 120.78 3ca2 n ASN 253 Ca 0.00 -2.00 -0.26 0.00 0.45 0.00 0.00 54.58 52.77 3ca2 n ASN 253 Cb 0.00 -0.50 -0.09 0.00 1.23 0.00 0.00 39.78 40.42 3ca2 n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3ca2 s ARG 254 N -0.13 2.06 -0.09 1.20 0.52 -1.10 -5.12 118.95 116.29 3ca2 s ARG 254 Ca 0.00 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 3ca2 s ARG 254 Cb 0.00 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 3ca2 s ARG 254 CO 0.00 0.41 -0.15 -1.14 0.02 0.00 0.00 175.30 174.44 3ca2 s GLN 255 N -3.03 2.99 -0.26 3.54 0.74 -1.26 -5.03 119.66 117.36 3ca2 s GLN 255 Ca 0.26 -0.72 -0.11 0.00 0.05 0.00 0.00 55.36 54.84 3ca2 s GLN 255 Cb -0.08 -2.48 -0.05 0.00 1.10 0.00 0.00 33.01 31.50 3ca2 s GLN 255 CO 0.16 0.36 0.17 0.42 -0.55 0.00 0.00 175.29 175.85 3ca2 s ILE 256 N -0.05 5.29 0.18 -2.34 1.01 -1.26 -4.67 121.20 119.36 3ca2 s ILE 256 Ca -0.03 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.83 3ca2 s ILE 256 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3ca2 s ILE 256 CO 0.04 0.31 0.17 -0.54 0.00 0.00 0.00 174.94 174.92 3ca2 s LYS 257 N 1.36 2.98 0.02 2.79 1.02 -0.45 -1.29 119.74 126.17 3ca2 s LYS 257 Ca 0.07 -0.87 0.08 0.00 0.02 0.00 0.00 55.97 55.27 3ca2 s LYS 257 Cb -0.15 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 3ca2 s LYS 257 CO 0.07 0.47 -0.25 0.00 -0.92 0.00 0.00 175.35 174.73 3ca2 s ALA 258 N -1.83 2.08 -2.24 5.17 0.00 0.79 -1.32 121.76 124.40 3ca2 s ALA 258 Ca 0.32 -1.14 0.20 0.00 0.00 0.00 0.00 51.96 51.34 3ca2 s ALA 258 Cb -0.10 -0.47 0.73 0.00 0.00 0.00 0.00 23.12 23.28 3ca2 s ALA 258 CO 0.24 0.50 1.53 -1.13 0.00 0.00 0.00 175.76 176.90 3ca2 n SER 259 N 2.11 1.58 0.00 0.00 3.41 0.06 -1.14 113.62 119.64 3ca2 n SER 259 Ca -0.16 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3ca2 n SER 259 Cb 0.52 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3ca2 n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10