#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a45 s VAL 17 N 0.00 4.33 -1.23 1.39 1.01 -0.72 -4.06 120.40 121.11 2a45 s VAL 17 Ca 0.00 1.80 -0.10 0.00 0.00 0.00 0.00 61.98 63.68 2a45 s VAL 17 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2a45 s VAL 17 CO 0.00 0.50 0.71 -0.62 0.00 0.00 0.00 175.10 175.69 2a45 n GLU 18 N 1.69 -2.78 0.00 2.72 -0.58 -1.26 -2.56 120.64 117.87 2a45 n GLU 18 Ca -0.04 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 2a45 n GLU 18 Cb 0.48 -4.66 0.00 0.00 -0.57 0.00 0.00 31.44 26.69 2a45 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a45 n GLY 19 N -1.67 4.41 3.61 0.62 0.00 -1.26 -4.48 105.19 106.42 2a45 n GLY 19 Ca -0.19 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2a45 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a45 s SER 20 N 0.55 -0.71 -0.86 1.61 1.04 -1.13 -4.89 113.70 109.31 2a45 s SER 20 Ca 0.00 1.27 -0.23 0.00 0.48 0.00 0.00 55.95 57.48 2a45 s SER 20 Cb 0.00 1.26 -0.19 0.00 0.10 0.00 0.00 66.02 67.19 2a45 s SER 20 CO 0.00 -0.31 2.17 0.47 0.98 0.00 0.00 173.24 176.55 2a45 n ASP 21 N 2.32 1.00 -4.30 7.02 9.92 -1.26 0.40 116.55 131.65 2a45 n ASP 21 Ca -0.15 -1.77 -0.36 0.00 -0.53 0.00 0.00 54.79 51.98 2a45 n ASP 21 Cb 0.55 -1.50 0.06 0.00 -0.64 0.00 0.00 41.12 39.59 2a45 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a45 n ALA 22 N 16.85 -3.01 -1.96 2.24 0.00 -1.07 -4.90 120.51 128.64 2a45 n ALA 22 Ca 0.43 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2a45 n ALA 22 Cb 0.42 -1.57 0.14 0.00 0.00 0.00 0.00 19.45 18.44 2a45 n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2a45 s GLU 23 N -2.35 1.27 0.37 0.00 2.02 -1.26 -4.92 118.70 113.83 2a45 s GLU 23 Ca 0.56 -0.75 -0.25 0.00 0.02 0.00 0.00 54.97 54.55 2a45 s GLU 23 Cb -0.31 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.71 2a45 s GLU 23 CO 0.67 -1.85 1.02 0.42 0.02 0.00 0.00 175.26 175.55 2a45 s ILE 24 N -3.47 3.85 0.00 -1.63 1.01 -1.26 -4.07 121.20 115.63 2a45 s ILE 24 Ca 0.69 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.81 2a45 s ILE 24 Cb -0.05 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2a45 s ILE 24 CO 0.48 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2a45 n GLY 25 N 0.43 2.32 0.32 6.18 0.00 -1.26 -4.79 105.19 108.39 2a45 n GLY 25 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 2a45 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a45 h MET 26 N 0.98 0.00 -3.08 1.61 -0.00 -1.98 -3.15 114.93 109.30 2a45 h MET 26 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 59.70 59.08 2a45 h MET 26 Cb 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 31.19 2a45 h MET 26 CO 0.00 0.01 -0.64 -1.12 -0.00 0.00 0.00 176.91 175.15 2a45 s SER 27 N -5.47 4.27 -0.07 -0.10 0.01 -1.26 -4.85 113.70 106.22 2a45 s SER 27 Ca -0.05 -3.45 0.16 0.00 1.31 0.00 0.00 55.95 53.93 2a45 s SER 27 Cb 0.13 -1.46 0.59 0.00 0.21 0.00 0.00 66.02 65.49 2a45 s SER 27 CO 0.46 -0.15 1.48 -0.81 0.41 0.00 0.00 173.24 174.63 2a45 n PRO 28 N 2.50 3.05 0.00 12.44 -0.04 -1.19 -3.60 135.00 148.16 2a45 n PRO 28 Ca 0.16 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2a45 n PRO 28 Cb 0.35 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2a45 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2a45 n TRP 29 N 1.03 0.00 -1.80 0.54 2.14 -0.77 0.13 117.44 118.70 2a45 n TRP 29 Ca 0.21 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.58 2a45 n TRP 29 Cb 0.70 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.13 2a45 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2a45 s GLN 30 N -0.25 1.98 0.53 -2.67 2.00 -1.24 -0.32 119.66 119.69 2a45 s GLN 30 Ca 0.00 -0.09 -0.15 0.00 -2.00 0.00 0.00 55.36 53.12 2a45 s GLN 30 Cb 0.00 -4.96 -0.07 0.00 0.80 0.00 0.00 33.01 28.78 2a45 s GLN 30 CO 0.00 -4.16 0.98 0.08 -0.50 0.00 0.00 175.29 171.69 2a45 s VAL 31 N 13.00 4.59 -0.30 1.34 1.01 -1.05 -3.64 120.40 135.35 2a45 s VAL 31 Ca 0.80 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2a45 s VAL 31 Cb -0.08 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.63 2a45 s VAL 31 CO 0.07 -0.79 0.07 -0.32 0.00 0.00 0.00 175.10 174.13 2a45 s MET 32 N -4.32 0.92 0.10 2.72 1.75 0.36 -1.84 119.30 118.98 2a45 s MET 32 Ca 0.57 -1.18 -0.31 0.00 -1.25 0.00 0.00 55.69 53.53 2a45 s MET 32 Cb -0.10 -2.26 -0.07 0.00 2.84 0.00 0.00 34.83 35.23 2a45 s MET 32 CO 0.37 -0.93 1.38 -1.17 -0.65 0.00 0.00 175.02 174.02 2a45 s LEU 33 N 1.48 4.36 0.11 4.11 0.20 -1.24 0.20 118.68 127.91 2a45 s LEU 33 Ca 0.08 2.28 0.03 0.00 0.69 0.00 0.00 54.13 57.22 2a45 s LEU 33 Cb -0.18 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 2a45 s LEU 33 CO -0.20 -0.65 -0.09 0.12 -0.29 0.00 0.00 176.35 175.25 2a45 s PHE 34 N 1.26 1.04 -0.25 5.38 5.36 0.28 -2.35 117.98 128.70 2a45 s PHE 34 Ca 0.64 -0.75 -0.09 0.00 -0.96 0.00 0.00 56.93 55.78 2a45 s PHE 34 Cb -0.36 -0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 41.72 2a45 s PHE 34 CO 0.30 -0.03 0.12 0.50 -1.46 0.00 0.00 175.22 174.65 2a45 s ARG 35 N -3.26 3.83 0.02 10.12 3.52 0.33 -1.26 118.95 132.26 2a45 s ARG 35 Ca 0.09 -0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 2a45 s ARG 35 Cb 0.00 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 2a45 s ARG 35 CO -0.01 -0.11 1.10 1.57 -0.81 0.00 0.00 175.30 177.04 2a45 h LYS 36 N 8.05 -0.08 -3.92 5.12 2.10 -1.71 -2.73 116.57 123.40 2a45 h LYS 36 Ca -0.37 0.01 -0.47 0.00 -2.00 0.00 0.00 60.65 57.82 2a45 h LYS 36 Cb 1.18 0.02 -0.37 0.00 -0.90 0.00 0.00 32.23 32.15 2a45 h LYS 36 CO 0.59 -0.05 -0.78 0.45 -2.00 0.00 0.00 179.45 177.66 2a45 s SER 36 N -3.13 1.73 0.48 7.07 0.15 -1.26 -1.51 113.70 117.21 2a45 s SER 36 Ca -0.03 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 2a45 s SER 36 Cb 0.02 -0.58 -0.08 0.00 -1.71 0.00 0.00 66.02 63.67 2a45 s SER 36 CO 0.12 -0.15 0.92 -2.16 1.20 0.00 0.00 173.24 173.17 2a45 s PRO 37 N 1.76 3.92 -0.08 5.44 0.04 -1.26 -5.03 135.00 139.79 2a45 s PRO 37 Ca 0.03 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 2a45 s PRO 37 Cb -0.13 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 2a45 s PRO 37 CO -0.06 -0.18 1.94 1.14 0.04 0.00 0.00 177.00 179.88 2a45 s GLN 38 N -3.93 3.83 -0.00 4.56 0.00 -0.57 -4.52 119.66 119.03 2a45 s GLN 38 Ca 0.57 2.25 -0.12 0.00 -0.00 0.00 0.00 55.36 58.06 2a45 s GLN 38 Cb -0.10 -4.18 0.01 0.00 0.00 0.00 0.00 33.01 28.75 2a45 s GLN 38 CO 0.30 -1.30 0.25 -1.21 0.00 0.00 0.00 175.29 173.33 2a45 s GLU 39 N 4.94 0.62 -0.31 9.60 2.02 -1.16 -4.93 118.70 129.48 2a45 s GLU 39 Ca 0.87 -0.31 -0.19 0.00 0.02 0.00 0.00 54.97 55.36 2a45 s GLU 39 Cb -0.36 0.27 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 2a45 s GLU 39 CO 0.36 -0.17 0.56 -1.17 0.02 0.00 0.00 175.26 174.86 2a45 s LEU 40 N -1.46 4.17 -0.20 1.80 2.96 -1.26 -0.51 118.68 124.18 2a45 s LEU 40 Ca -0.13 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2a45 s LEU 40 Cb -0.05 -2.69 -0.20 0.00 0.50 0.00 0.00 46.19 43.74 2a45 s LEU 40 CO 0.02 -0.42 0.05 0.00 -1.32 0.00 0.00 176.35 174.68 2a45 n LEU 41 N 5.73 2.55 0.00 -0.68 -0.00 -0.99 -5.00 117.00 118.61 2a45 n LEU 41 Ca -0.03 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2a45 n LEU 41 Cb 0.49 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2a45 n LEU 41 CO 0.44 0.76 0.00 0.00 -0.00 0.00 0.00 177.39 178.59 2a45 s GLY 43 N 0.00 1.37 0.32 0.00 0.00 0.15 -3.60 107.32 105.56 2a45 s GLY 43 Ca 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 44.72 43.12 2a45 s GLY 43 CO 0.00 -1.72 0.18 0.00 0.00 0.00 0.00 173.10 171.55 2a45 s ALA 44 N -3.05 2.05 -0.14 3.20 0.00 -0.77 -3.58 121.76 119.46 2a45 s ALA 44 Ca 0.22 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2a45 s ALA 44 Cb 0.00 1.16 0.02 0.00 0.00 0.00 0.00 23.12 24.31 2a45 s ALA 44 CO 0.06 -0.51 -0.11 -1.54 0.00 0.00 0.00 175.76 173.65 2a45 s SER 45 N -3.40 2.50 -0.26 0.00 1.04 0.69 -2.53 113.70 111.74 2a45 s SER 45 Ca 0.35 -0.42 -0.28 0.00 0.48 0.00 0.00 55.95 56.07 2a45 s SER 45 Cb 0.04 -1.04 0.01 0.00 0.10 0.00 0.00 66.02 65.13 2a45 s SER 45 CO 0.19 -0.08 1.01 -0.22 0.98 0.00 0.00 173.24 175.12 2a45 s LEU 46 N 1.58 4.05 0.00 2.42 0.20 0.56 0.12 118.68 127.60 2a45 s LEU 46 Ca 0.05 1.21 0.00 0.00 0.69 0.00 0.00 54.13 56.08 2a45 s LEU 46 Cb -0.13 -3.48 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2a45 s LEU 46 CO -0.10 -0.71 0.56 2.30 -0.29 0.00 0.00 176.35 178.11 2a45 n ILE 47 N 5.48 0.17 0.00 6.68 -0.00 -1.17 -1.37 119.36 129.16 2a45 n ILE 47 Ca 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 2a45 n ILE 47 Cb 0.47 0.97 0.00 0.00 -0.00 0.00 0.00 39.64 41.07 2a45 n ILE 47 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2a45 n SER 48 N -0.09 0.00 0.00 7.28 2.88 -1.16 -4.81 113.62 117.72 2a45 n SER 48 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a45 n SER 48 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2a45 n SER 48 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2a45 n ASP 49 N 0.00 0.00 0.00 -3.46 5.68 -1.26 -2.13 116.55 115.38 2a45 n ASP 49 Ca 0.00 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 2a45 n ASP 49 Cb 0.00 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 2a45 n ASP 49 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2a45 n ARG 50 N -1.12 0.00 -4.52 0.11 0.63 -1.26 -0.21 116.66 110.28 2a45 n ARG 50 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 2a45 n ARG 50 Cb 0.03 -0.18 -0.14 0.00 0.45 0.00 0.00 32.46 32.61 2a45 n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2a45 s TRP 51 N 0.00 1.32 -0.01 -0.14 0.52 -0.91 0.89 118.94 120.60 2a45 s TRP 51 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 56.10 55.81 2a45 s TRP 51 Cb 0.00 -0.81 0.02 0.00 -1.15 0.00 0.00 33.47 31.52 2a45 s TRP 51 CO 0.00 0.02 0.03 0.08 0.02 0.00 0.00 176.95 177.09 2a45 s VAL 52 N -0.62 -0.03 0.15 4.03 1.01 -1.05 -3.01 120.40 120.89 2a45 s VAL 52 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2a45 s VAL 52 Cb -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 2a45 s VAL 52 CO 0.01 0.04 0.35 -0.22 0.00 0.00 0.00 175.10 175.28 2a45 s LEU 53 N 0.52 4.27 -0.13 3.92 2.96 0.32 -2.32 118.68 128.21 2a45 s LEU 53 Ca -0.04 0.44 -0.34 0.00 -0.22 0.00 0.00 54.13 53.97 2a45 s LEU 53 Cb -0.06 -3.17 0.14 0.00 0.50 0.00 0.00 46.19 43.60 2a45 s LEU 53 CO -0.02 0.03 1.39 0.28 -1.32 0.00 0.00 176.35 176.71 2a45 s THR 54 N -1.73 0.00 -0.15 3.68 -1.32 -0.21 0.25 115.64 116.16 2a45 s THR 54 Ca 0.39 -0.05 -0.32 0.00 -1.21 0.00 0.00 61.69 60.50 2a45 s THR 54 Cb -0.12 -1.72 -0.09 0.00 -1.51 0.00 0.00 72.50 69.06 2a45 s THR 54 CO 0.27 0.00 2.05 0.00 -2.21 0.00 0.00 174.62 174.73 2a45 n ALA 55 N -0.36 1.26 -0.09 11.08 0.00 -1.26 0.21 120.51 131.35 2a45 n ALA 55 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2a45 n ALA 55 Cb 0.62 -2.65 0.37 0.00 0.00 0.00 0.00 19.45 17.78 2a45 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a45 h ALA 56 N 11.59 1.65 -0.44 0.00 0.00 -1.73 -1.70 119.26 128.63 2a45 h ALA 56 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2a45 h ALA 56 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2a45 h ALA 56 CO 0.96 0.31 0.22 1.12 0.00 0.00 0.00 179.25 181.86 2a45 h HIS 57 N 0.71 0.59 -0.42 0.00 2.07 -1.88 -0.95 115.15 115.27 2a45 h HIS 57 Ca 0.21 -0.01 0.12 0.00 -2.85 0.00 0.00 60.37 57.85 2a45 h HIS 57 Cb -0.01 -0.19 -0.02 0.00 2.57 0.00 0.00 27.41 29.76 2a45 h HIS 57 CO -0.00 0.43 0.39 0.00 -3.07 0.00 0.00 177.93 175.68 2a45 n LEU 59 N -3.94 2.74 -3.79 0.00 4.77 -0.41 -4.89 117.00 111.48 2a45 n LEU 59 Ca 0.07 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.87 2a45 n LEU 59 Cb 0.58 -1.04 -0.16 0.00 -2.33 0.00 0.00 43.42 40.46 2a45 n LEU 59 CO 0.31 0.87 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.64 2a45 s LEU 60 N -6.88 1.36 0.15 2.23 2.96 -0.86 -0.55 118.68 117.10 2a45 s LEU 60 Ca -0.27 -0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 52.80 2a45 s LEU 60 Cb 0.07 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2a45 s LEU 60 CO 0.71 -0.27 0.25 -0.47 -1.32 0.00 0.00 176.35 175.25 2a45 s TYR 60 N 1.78 0.41 0.00 5.38 5.04 0.38 -4.41 117.35 125.93 2a45 s TYR 60 Ca -0.01 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 2a45 s TYR 60 Cb -0.16 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.05 2a45 s TYR 60 CO -0.07 -0.68 0.00 -2.30 -1.34 0.00 0.00 175.55 171.16 2a45 n PRO 60 N -0.19 0.00 -0.81 4.97 -0.02 -1.26 0.14 135.00 137.84 2a45 n PRO 60 Ca -0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 2a45 n PRO 60 Cb 0.63 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 34.25 2a45 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2a45 n TRP 60 N 0.00 2.01 -2.58 6.00 8.01 -1.26 -4.95 117.44 124.66 2a45 n TRP 60 Ca 0.00 -1.29 0.00 0.00 -1.31 0.00 0.00 57.50 54.90 2a45 n TRP 60 Cb 0.00 -0.68 0.00 0.00 -2.01 0.00 0.00 31.31 28.62 2a45 n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2a45 n ASP 60 N -0.48 -6.31 -3.38 -0.99 2.03 0.24 -5.00 116.55 102.67 2a45 n ASP 60 Ca 0.38 0.76 -0.08 0.00 0.52 0.00 0.00 54.79 56.36 2a45 n ASP 60 Cb 1.25 -1.29 -0.08 0.00 -0.72 0.00 0.00 41.12 40.29 2a45 n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2a45 s LYS 60 N -0.08 0.36 -0.39 -0.67 2.20 0.38 -4.79 119.74 116.74 2a45 s LYS 60 Ca 0.00 0.62 0.08 0.00 -0.36 0.00 0.00 55.97 56.31 2a45 s LYS 60 Cb 0.00 -0.33 0.25 0.00 -1.51 0.00 0.00 37.83 36.24 2a45 s LYS 60 CO 0.00 -0.59 0.52 -1.71 -0.36 0.00 0.00 175.35 173.21 2a45 n ASN 60 N 5.37 0.21 -4.84 1.43 2.85 -1.23 0.14 115.26 119.20 2a45 n ASN 60 Ca -0.04 -2.70 -0.31 0.00 -0.11 0.00 0.00 54.58 51.42 2a45 n ASN 60 Cb 0.50 -0.64 0.03 0.00 1.24 0.00 0.00 39.78 40.91 2a45 n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2a45 s PHE 60 N -1.19 3.28 0.10 1.20 0.08 0.28 -5.01 117.98 116.73 2a45 s PHE 60 Ca 0.35 1.39 -0.02 0.00 0.12 0.00 0.00 56.93 58.77 2a45 s PHE 60 Cb 0.17 -2.84 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2a45 s PHE 60 CO -0.11 -1.00 0.04 0.95 -0.10 0.00 0.00 175.22 175.01 2a45 s THR 60 N -3.01 0.15 0.21 0.64 -4.23 -1.26 -4.84 115.64 103.29 2a45 s THR 60 Ca 0.58 -1.79 -0.19 0.00 -1.18 0.00 0.00 61.69 59.11 2a45 s THR 60 Cb -0.13 -1.77 0.18 0.00 1.34 0.00 0.00 72.50 72.12 2a45 s THR 60 CO 0.52 -0.69 1.57 -0.33 -0.54 0.00 0.00 174.62 175.15 2a45 h GLU 61 N 2.96 -0.09 -0.04 3.99 3.07 -1.90 1.33 114.58 123.90 2a45 h GLU 61 Ca -0.34 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.53 2a45 h GLU 61 Cb 1.18 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2a45 h GLU 61 CO 0.61 -0.06 0.32 -0.91 -1.40 0.00 0.00 179.01 177.57 2a45 h ASN 62 N -0.09 0.00 0.43 1.42 -0.26 -1.92 0.50 115.58 115.66 2a45 h ASN 62 Ca 0.28 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.72 2a45 h ASN 62 Cb 0.57 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.79 2a45 h ASN 62 CO -0.81 0.00 -1.73 0.44 -1.06 0.00 0.00 177.43 174.27 2a45 h ASP 63 N 0.00 0.11 -5.20 5.81 3.45 0.13 -3.48 116.42 117.25 2a45 h ASP 63 Ca 0.02 -0.23 -0.14 0.00 0.43 0.00 0.00 57.03 57.10 2a45 h ASP 63 Cb 0.65 -0.04 -0.15 0.00 -0.56 0.00 0.00 39.33 39.23 2a45 h ASP 63 CO -0.00 1.21 -0.68 -1.48 -1.57 0.00 0.00 179.24 176.72 2a45 s LEU 64 N -6.37 2.39 0.15 1.55 0.05 0.17 -1.86 118.68 114.75 2a45 s LEU 64 Ca -0.08 -1.03 -0.01 0.00 0.05 0.00 0.00 54.13 53.06 2a45 s LEU 64 Cb 0.08 0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 44.36 2a45 s LEU 64 CO 0.82 -0.61 0.07 -1.48 -0.55 0.00 0.00 176.35 174.60 2a45 s LEU 65 N -2.95 1.68 -0.12 1.48 2.34 -0.39 -4.61 118.68 116.11 2a45 s LEU 65 Ca 0.10 -1.24 -0.01 0.00 0.06 0.00 0.00 54.13 53.03 2a45 s LEU 65 Cb 0.08 0.29 -0.03 0.00 -0.56 0.00 0.00 46.19 45.97 2a45 s LEU 65 CO -0.08 -0.74 -0.06 0.68 -1.06 0.00 0.00 176.35 175.09 2a45 s VAL 66 N -4.04 3.73 -0.52 1.48 -7.23 -1.23 0.10 120.40 112.69 2a45 s VAL 66 Ca 0.27 -0.44 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 2a45 s VAL 66 Cb 0.07 -2.58 0.08 0.00 0.56 0.00 0.00 36.38 34.51 2a45 s VAL 66 CO 0.04 0.54 0.58 -0.13 -0.31 0.00 0.00 175.10 175.82 2a45 s ARG 67 N -0.14 3.06 0.02 4.82 0.52 0.53 -3.00 118.95 124.76 2a45 s ARG 67 Ca 0.02 -1.17 -0.20 0.00 -0.52 0.00 0.00 55.73 53.86 2a45 s ARG 67 Cb -0.13 -4.16 -0.06 0.00 0.52 0.00 0.00 34.95 31.12 2a45 s ARG 67 CO 0.03 -1.26 0.58 0.42 0.02 0.00 0.00 175.30 175.09 2a45 s ILE 68 N 2.31 4.85 -0.68 1.52 1.09 0.60 -0.49 121.20 130.41 2a45 s ILE 68 Ca 0.11 1.23 -0.01 0.00 -1.10 0.00 0.00 60.65 60.87 2a45 s ILE 68 Cb -0.22 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.26 2a45 s ILE 68 CO 0.09 0.47 0.19 0.61 -0.10 0.00 0.00 174.94 176.20 2a45 n GLY 69 N 2.18 0.13 3.89 6.18 0.00 -1.24 -2.31 105.19 114.03 2a45 n GLY 69 Ca -0.08 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 2a45 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a45 s LYS 70 N -4.87 3.58 0.13 1.61 1.02 -1.26 -4.67 119.74 115.28 2a45 s LYS 70 Ca 0.09 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.54 2a45 s LYS 70 Cb -0.04 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2a45 s LYS 70 CO 0.12 -0.35 0.00 1.58 -0.92 0.00 0.00 175.35 175.77 2a45 n HIS 71 N -2.42 -0.58 -2.51 3.18 -0.00 -1.26 -4.79 115.22 106.84 2a45 n HIS 71 Ca 0.03 0.10 -0.41 0.00 -0.00 0.00 0.00 57.72 57.45 2a45 n HIS 71 Cb 0.55 0.16 -0.04 0.00 -0.00 0.00 0.00 29.99 30.65 2a45 n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2a45 s SER 72 N -5.56 7.27 0.20 0.26 1.04 -1.25 -0.15 113.70 115.51 2a45 s SER 72 Ca 0.00 2.13 0.24 0.00 0.48 0.00 0.00 55.95 58.80 2a45 s SER 72 Cb 0.00 -2.61 0.91 0.00 0.10 0.00 0.00 66.02 64.42 2a45 s SER 72 CO 0.00 -0.20 1.73 -1.14 0.98 0.00 0.00 173.24 174.61 2a45 n ARG 73 N 2.13 0.19 0.00 4.02 0.63 -0.38 -4.64 116.66 118.60 2a45 n ARG 73 Ca 0.02 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 2a45 n ARG 73 Cb 0.46 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2a45 n ARG 73 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2a45 n THR 74 N -2.13 0.00 -1.54 5.15 -2.24 -1.26 -5.04 114.28 107.22 2a45 n THR 74 Ca 0.04 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.32 2a45 n THR 74 Cb 0.31 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 2a45 n THR 74 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2a45 n ARG 75 N -0.78 0.84 -0.70 -0.78 1.85 -1.26 -4.88 116.66 110.95 2a45 n ARG 75 Ca 0.00 0.30 -0.32 0.00 -1.00 0.00 0.00 57.85 56.83 2a45 n ARG 75 Cb 0.00 -1.71 0.16 0.00 -1.05 0.00 0.00 32.46 29.86 2a45 n ARG 75 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2a45 n TYR 76 N 1.16 -1.20 -3.31 2.89 9.36 -1.26 -4.70 117.16 120.10 2a45 n TYR 76 Ca 0.16 0.17 -0.25 0.00 3.32 0.00 0.00 57.90 61.29 2a45 n TYR 76 Cb 0.23 -1.71 -0.08 0.00 -0.63 0.00 0.00 39.34 37.15 2a45 n TYR 76 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2a45 n GLU 77 N -2.48 1.48 -1.31 2.98 1.02 -1.26 -5.02 120.64 116.06 2a45 n GLU 77 Ca 0.04 -3.85 -0.51 0.00 -0.02 0.00 0.00 57.16 52.82 2a45 n GLU 77 Cb 0.57 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 2a45 n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2a45 n ARG 77 N 1.24 0.00 -0.16 3.49 5.12 -1.26 0.49 116.66 125.58 2a45 n ARG 77 Ca 0.25 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2a45 n ARG 77 Cb 0.47 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 2a45 n ARG 77 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2a45 n ASN 78 N 2.24 0.00 -0.03 0.55 5.03 -1.26 -4.70 115.26 117.09 2a45 n ASN 78 Ca 0.21 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.60 2a45 n ASN 78 Cb 0.01 -0.88 -0.02 0.00 -1.02 0.00 0.00 39.78 37.87 2a45 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2a45 n ILE 79 N -2.00 1.30 -2.00 2.41 -0.00 0.10 -4.99 119.36 114.17 2a45 n ILE 79 Ca 0.00 0.21 -0.42 0.00 -0.00 0.00 0.00 62.75 62.54 2a45 n ILE 79 Cb 0.00 -1.94 -0.03 0.00 -0.00 0.00 0.00 39.64 37.67 2a45 n ILE 79 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2a45 s GLU 80 N -2.44 4.20 -0.21 0.38 -1.05 0.18 -4.97 118.70 114.79 2a45 s GLU 80 Ca -0.16 2.22 -0.10 0.00 -0.15 0.00 0.00 54.97 56.78 2a45 s GLU 80 Cb 0.03 -3.85 -0.05 0.00 -0.44 0.00 0.00 34.13 29.82 2a45 s GLU 80 CO 0.23 -0.79 0.13 0.15 0.95 0.00 0.00 175.26 175.92 2a45 s LYS 81 N 3.51 4.14 -0.18 -4.83 -0.14 -0.98 -4.92 119.74 116.35 2a45 s LYS 81 Ca 0.73 -0.25 0.01 0.00 -1.36 0.00 0.00 55.97 55.10 2a45 s LYS 81 Cb -0.35 -3.42 0.01 0.00 -1.68 0.00 0.00 37.83 32.40 2a45 s LYS 81 CO 0.30 0.25 -0.18 0.42 -0.76 0.00 0.00 175.35 175.38 2a45 s ILE 82 N 0.50 2.23 -0.01 2.17 1.01 -1.26 -0.29 121.20 125.55 2a45 s ILE 82 Ca 0.07 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2a45 s ILE 82 Cb -0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2a45 s ILE 82 CO -0.00 0.53 -0.15 -0.44 0.00 0.00 0.00 174.94 174.88 2a45 s SER 83 N 1.24 1.73 0.90 3.58 0.01 -1.16 -5.04 113.70 114.95 2a45 s SER 83 Ca 0.03 -0.27 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 2a45 s SER 83 Cb -0.13 -0.22 0.13 0.00 0.21 0.00 0.00 66.02 66.01 2a45 s SER 83 CO -0.10 0.17 1.11 0.00 0.41 0.00 0.00 173.24 174.83 2a45 s MET 84 N -0.30 1.26 0.52 12.44 0.23 -1.26 -3.53 119.30 128.66 2a45 s MET 84 Ca 0.05 0.53 0.07 0.00 -1.03 0.00 0.00 55.69 55.31 2a45 s MET 84 Cb -0.06 -1.83 0.03 0.00 -1.53 0.00 0.00 34.83 31.44 2a45 s MET 84 CO -0.00 -2.17 0.48 -0.51 -2.03 0.00 0.00 175.02 170.79 2a45 s LEU 85 N -6.09 2.96 0.00 0.18 1.43 -1.26 -3.45 118.68 112.44 2a45 s LEU 85 Ca 0.63 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2a45 s LEU 85 Cb -0.16 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2a45 s LEU 85 CO 0.55 -1.05 0.00 1.21 0.23 0.00 0.00 176.35 177.30 2a45 n GLU 86 N -1.82 0.00 -3.93 1.70 4.07 -0.92 -3.70 120.64 116.04 2a45 n GLU 86 Ca 0.03 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.79 2a45 n GLU 86 Cb 0.63 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.87 2a45 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2a45 s LYS 87 N 0.00 2.86 -0.19 5.31 2.36 -1.26 -4.88 119.74 123.94 2a45 s LYS 87 Ca 0.00 -0.97 -0.27 0.00 -2.55 0.00 0.00 55.97 52.18 2a45 s LYS 87 Cb 0.00 -3.04 -0.00 0.00 -1.05 0.00 0.00 37.83 33.74 2a45 s LYS 87 CO 0.00 -0.41 0.94 0.42 1.55 0.00 0.00 175.35 177.85 2a45 s ILE 88 N 1.35 4.78 -0.16 5.43 1.01 -1.26 -3.00 121.20 129.35 2a45 s ILE 88 Ca 0.00 1.84 -0.00 0.00 0.00 0.00 0.00 60.65 62.50 2a45 s ILE 88 Cb -0.17 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.07 2a45 s ILE 88 CO -0.03 -0.07 -0.14 -0.31 0.00 0.00 0.00 174.94 174.39 2a45 s TYR 89 N 2.63 2.81 0.03 3.97 2.02 -0.71 -5.03 117.35 123.06 2a45 s TYR 89 Ca 0.42 -0.97 0.08 0.00 -0.37 0.00 0.00 57.07 56.23 2a45 s TYR 89 Cb -0.16 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2a45 s TYR 89 CO 0.10 -0.44 -0.22 -1.50 -1.57 0.00 0.00 175.55 171.92 2a45 s ILE 90 N 0.80 1.79 -0.11 2.71 2.07 -1.26 -1.35 121.20 125.85 2a45 s ILE 90 Ca -0.05 -1.18 -0.29 0.00 -1.41 0.00 0.00 60.65 57.72 2a45 s ILE 90 Cb -0.15 -1.53 -0.05 0.00 0.13 0.00 0.00 42.46 40.86 2a45 s ILE 90 CO 0.00 0.31 1.66 -2.28 -1.91 0.00 0.00 174.94 172.72 2a45 s HIS 91 N -0.73 1.99 0.30 3.50 5.65 -1.26 -4.90 115.29 119.83 2a45 s HIS 91 Ca 0.09 0.32 0.06 0.00 0.25 0.00 0.00 55.06 55.78 2a45 s HIS 91 Cb -0.09 -3.93 0.79 0.00 -1.18 0.00 0.00 32.58 28.16 2a45 s HIS 91 CO 0.01 -3.56 1.70 -1.00 -0.65 0.00 0.00 174.74 171.24 2a45 h PRO 92 N 10.13 0.43 0.00 2.88 0.13 -1.97 0.30 132.00 143.89 2a45 h PRO 92 Ca -0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2a45 h PRO 92 Cb 1.17 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2a45 h PRO 92 CO 0.97 0.28 0.00 0.54 -0.23 0.00 0.00 178.00 179.56 2a45 n ARG 93 N -5.01 0.52 -2.07 0.86 5.12 -1.26 -4.76 116.66 110.07 2a45 n ARG 93 Ca 0.24 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.73 2a45 n ARG 93 Cb 0.69 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.71 2a45 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2a45 s TYR 94 N -2.00 2.01 -0.48 -1.55 5.04 0.09 -4.74 117.35 115.72 2a45 s TYR 94 Ca 0.13 0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 55.18 2a45 s TYR 94 Cb 0.06 -4.02 0.11 0.00 0.35 0.00 0.00 41.96 38.46 2a45 s TYR 94 CO 0.10 -3.03 0.37 1.21 -1.34 0.00 0.00 175.55 172.87 2a45 s ASN 95 N 4.67 5.82 0.01 4.32 2.47 -0.49 -4.90 114.94 126.83 2a45 s ASN 95 Ca 0.74 -1.81 -0.03 0.00 0.42 0.00 0.00 52.86 52.18 2a45 s ASN 95 Cb -0.25 -2.06 -0.28 0.00 -1.45 0.00 0.00 41.25 37.22 2a45 s ASN 95 CO 0.31 -0.71 0.86 4.11 -3.72 0.00 0.00 177.10 177.95 2a45 h TRP 96 N 8.55 0.45 -0.03 0.43 5.08 -1.92 1.10 115.95 129.61 2a45 h TRP 96 Ca -0.24 -0.33 0.00 0.00 1.08 0.00 0.00 58.89 59.41 2a45 h TRP 96 Cb 1.08 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2a45 h TRP 96 CO 0.65 1.38 -0.02 0.00 -1.28 0.00 0.00 178.44 179.17 2a45 h ARG 97 N 0.07 -0.00 -0.04 0.12 3.08 -2.00 -3.16 114.38 112.45 2a45 h ARG 97 Ca -0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 2a45 h ARG 97 Cb 2.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.06 2a45 h ARG 97 CO 0.16 -0.00 -0.02 1.49 -1.07 0.00 0.00 179.97 180.53 2a45 h GLU 97 N -0.00 0.09 0.00 0.04 4.57 -2.01 -3.45 114.58 113.81 2a45 h GLU 97 Ca 0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2a45 h GLU 97 Cb 0.02 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2a45 h GLU 97 CO -0.03 0.48 -0.01 0.27 -1.18 0.00 0.00 179.01 178.54 2a45 n ASN 98 N -4.82 -0.04 -1.91 1.04 6.94 -1.19 -4.89 115.26 110.39 2a45 n ASN 98 Ca -0.08 -0.30 -0.10 0.00 -0.02 0.00 0.00 54.58 54.09 2a45 n ASN 98 Cb 0.24 0.01 0.04 0.00 -2.36 0.00 0.00 39.78 37.71 2a45 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2a45 n LEU 99 N 0.00 -2.68 -4.67 -4.53 4.77 0.37 -4.95 117.00 105.32 2a45 n LEU 99 Ca -0.01 -0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.30 2a45 n LEU 99 Cb 0.16 -1.63 -0.02 0.00 -2.33 0.00 0.00 43.42 39.60 2a45 n LEU 99 CO -0.01 0.27 1.08 -0.62 -1.33 0.00 0.00 177.39 176.78 2a45 s ASP 100 N -3.23 6.94 -0.28 -1.43 -1.08 -0.46 -2.10 116.67 115.04 2a45 s ASP 100 Ca 0.21 1.76 0.00 0.00 -0.52 0.00 0.00 52.55 54.00 2a45 s ASP 100 Cb -0.09 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2a45 s ASP 100 CO 0.32 -0.74 0.00 0.54 0.52 0.00 0.00 175.17 175.81 2a45 n ARG 101 N 6.34 -0.26 -1.85 4.34 1.74 -1.26 -1.40 116.66 124.32 2a45 n ARG 101 Ca 0.14 0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 57.08 2a45 n ARG 101 Cb 0.45 -3.86 -0.04 0.00 -1.02 0.00 0.00 32.46 27.99 2a45 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2a45 s ASP 102 N -2.86 4.82 -0.29 0.55 2.15 -0.89 -4.53 116.67 115.61 2a45 s ASP 102 Ca 0.00 0.28 -0.22 0.00 0.43 0.00 0.00 52.55 53.04 2a45 s ASP 102 Cb 0.00 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 2a45 s ASP 102 CO 0.00 -2.81 1.17 -0.51 -0.17 0.00 0.00 175.17 172.85 2a45 s ILE 103 N 10.96 0.00 0.01 4.11 2.07 -1.26 -4.07 121.20 133.01 2a45 s ILE 103 Ca 0.79 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.04 2a45 s ILE 103 Cb -0.13 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 2a45 s ILE 103 CO 0.16 0.00 -0.03 0.00 -1.91 0.00 0.00 174.94 173.15 2a45 s ALA 104 N 0.52 0.25 0.30 1.50 0.00 0.56 -4.10 121.76 120.78 2a45 s ALA 104 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.80 2a45 s ALA 104 Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2a45 s ALA 104 CO -0.11 0.02 0.03 -0.51 0.00 0.00 0.00 175.76 175.18 2a45 s LEU 105 N -0.43 3.15 0.06 0.00 1.43 -0.45 -1.04 118.68 121.39 2a45 s LEU 105 Ca -0.03 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 2a45 s LEU 105 Cb -0.03 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2a45 s LEU 105 CO -0.00 -0.11 0.23 -0.04 0.23 0.00 0.00 176.35 176.66 2a45 s MET 106 N -3.72 0.79 0.24 1.70 -1.94 -0.98 -1.74 119.30 113.65 2a45 s MET 106 Ca 0.33 -0.71 0.09 0.00 -1.71 0.00 0.00 55.69 53.69 2a45 s MET 106 Cb -0.04 0.33 -0.04 0.00 2.01 0.00 0.00 34.83 37.09 2a45 s MET 106 CO 0.20 -0.25 0.01 0.21 -0.01 0.00 0.00 175.02 175.19 2a45 s LYS 107 N -3.05 2.38 -0.27 2.03 2.20 -1.16 -2.52 119.74 119.35 2a45 s LYS 107 Ca -0.01 -1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 54.15 2a45 s LYS 107 Cb 0.01 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 2a45 s LYS 107 CO -0.07 0.39 0.35 -0.51 -0.36 0.00 0.00 175.35 175.16 2a45 s LEU 108 N -3.48 4.04 0.56 5.43 2.01 0.26 -2.17 118.68 125.32 2a45 s LEU 108 Ca 0.30 0.27 0.33 0.00 0.01 0.00 0.00 54.13 55.05 2a45 s LEU 108 Cb -0.07 -2.40 1.48 0.00 0.01 0.00 0.00 46.19 45.21 2a45 s LEU 108 CO 0.20 -0.16 1.81 0.07 1.01 0.00 0.00 176.35 179.28 2a45 h LYS 109 N 8.13 0.00 -2.30 1.70 2.10 -1.63 -3.37 116.57 121.20 2a45 h LYS 109 Ca -0.32 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.29 2a45 h LYS 109 Cb 1.16 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.26 2a45 h LYS 109 CO 0.64 0.00 -0.14 0.15 -2.00 0.00 0.00 179.45 178.10 2a45 s LYS 110 N -4.85 0.55 1.03 0.07 1.02 -1.26 -4.89 119.74 111.41 2a45 s LYS 110 Ca -0.05 1.04 -0.25 0.00 0.02 0.00 0.00 55.97 56.73 2a45 s LYS 110 Cb 0.21 0.11 -0.11 0.00 -0.52 0.00 0.00 37.83 37.52 2a45 s LYS 110 CO 0.73 -0.16 -1.10 -0.35 -0.92 0.00 0.00 175.35 173.55 2a45 n PRO 111 N 4.39 -0.48 -4.29 -1.68 -0.04 -1.26 -4.91 135.00 126.73 2a45 n PRO 111 Ca -0.21 -0.14 -0.19 0.00 -0.04 0.00 0.00 63.50 62.93 2a45 n PRO 111 Cb 0.56 -1.20 -0.15 0.00 -0.04 0.00 0.00 33.50 32.67 2a45 n PRO 111 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2a45 s VAL 112 N -2.07 0.64 -0.22 0.52 1.01 0.70 -4.99 120.40 116.00 2a45 s VAL 112 Ca 0.41 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2a45 s VAL 112 Cb 0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2a45 s VAL 112 CO 0.65 0.21 0.47 0.00 0.00 0.00 0.00 175.10 176.43 2a45 s ALA 113 N 0.25 3.56 0.01 5.51 0.00 -1.26 -4.49 121.76 125.35 2a45 s ALA 113 Ca -0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2a45 s ALA 113 Cb -0.08 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 2a45 s ALA 113 CO 0.00 -0.48 0.99 -0.59 0.00 0.00 0.00 175.76 175.68 2a45 s PHE 114 N 1.72 3.67 0.00 0.00 -0.71 -1.26 -4.80 117.98 116.60 2a45 s PHE 114 Ca 0.21 1.69 0.00 0.00 -1.04 0.00 0.00 56.93 57.80 2a45 s PHE 114 Cb -0.15 -3.13 0.00 0.00 -1.21 0.00 0.00 43.02 38.53 2a45 s PHE 114 CO 0.09 -0.04 0.00 -1.13 -1.34 0.00 0.00 175.22 172.80 2a45 n SER 115 N 3.80 0.00 0.05 1.98 3.41 0.34 -4.87 113.62 118.33 2a45 n SER 115 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 2a45 n SER 115 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2a45 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2a45 h ASP 116 N 0.00 -0.45 0.32 4.04 5.19 -2.01 -2.66 116.42 120.84 2a45 h ASP 116 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2a45 h ASP 116 Cb 0.00 0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2a45 h ASP 116 CO 0.00 -0.21 -0.76 -1.22 -3.12 0.00 0.00 179.24 173.93 2a45 n TYR 117 N -5.29 0.04 -3.56 4.55 4.01 -1.26 -4.82 117.16 110.84 2a45 n TYR 117 Ca -0.05 0.01 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 2a45 n TYR 117 Cb 0.20 -0.19 -0.11 0.00 -0.31 0.00 0.00 39.34 38.93 2a45 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2a45 s ILE 118 N -3.03 4.88 -0.30 -0.72 -1.09 -1.00 -4.25 121.20 115.68 2a45 s ILE 118 Ca 0.09 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.70 2a45 s ILE 118 Cb 0.16 -3.65 0.21 0.00 -1.58 0.00 0.00 42.46 37.61 2a45 s ILE 118 CO 0.77 -0.17 1.31 -2.28 -1.23 0.00 0.00 174.94 173.35 2a45 s HIS 119 N 1.62 -0.06 0.52 3.97 2.46 0.35 0.13 115.29 124.28 2a45 s HIS 119 Ca 0.04 0.12 -0.11 0.00 0.47 0.00 0.00 55.06 55.58 2a45 s HIS 119 Cb -0.18 0.15 -0.05 0.00 -0.13 0.00 0.00 32.58 32.36 2a45 s HIS 119 CO 0.08 -0.03 0.92 -1.25 -2.47 0.00 0.00 174.74 171.99 2a45 s PRO 120 N 0.78 3.72 0.39 2.88 0.04 -1.25 -1.86 135.00 139.70 2a45 s PRO 120 Ca -0.04 0.64 -0.23 0.00 0.04 0.00 0.00 61.00 61.40 2a45 s PRO 120 Cb -0.03 -2.22 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 2a45 s PRO 120 CO -0.11 -0.31 0.95 0.54 0.04 0.00 0.00 177.00 178.11 2a45 s VAL 121 N -2.78 4.31 0.61 -0.36 0.11 -0.47 -4.92 120.40 116.90 2a45 s VAL 121 Ca 0.54 1.61 -0.14 0.00 -2.93 0.00 0.00 61.98 61.06 2a45 s VAL 121 Cb -0.10 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2a45 s VAL 121 CO 0.42 -0.14 1.04 0.00 -3.33 0.00 0.00 175.10 173.09 2a45 s LEU 123 N -4.79 4.05 0.20 0.00 2.34 -1.26 -4.21 118.68 115.02 2a45 s LEU 123 Ca 0.60 0.23 -0.31 0.00 0.06 0.00 0.00 54.13 54.72 2a45 s LEU 123 Cb -0.14 -2.39 -0.16 0.00 -0.56 0.00 0.00 46.19 42.95 2a45 s LEU 123 CO 0.43 -0.18 1.01 -0.81 -1.06 0.00 0.00 176.35 175.74 2a45 n PRO 124 N 5.31 0.97 -3.45 1.48 -0.04 -1.26 -5.01 135.00 133.00 2a45 n PRO 124 Ca -0.09 0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 2a45 n PRO 124 Cb 0.51 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 2a45 n PRO 124 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2a45 s ASP 125 N -0.33 5.14 0.16 3.54 -4.77 -1.26 -4.92 116.67 114.22 2a45 s ASP 125 Ca 0.68 -0.73 -0.22 0.00 -3.30 0.00 0.00 52.55 48.98 2a45 s ASP 125 Cb -0.84 -0.45 0.04 0.00 -1.09 0.00 0.00 42.92 40.58 2a45 s ASP 125 CO 0.55 -0.75 1.62 0.08 0.70 0.00 0.00 175.17 177.37 2a45 h ARG 126 N 0.88 -0.23 0.00 2.11 -0.00 -2.01 -3.26 114.38 111.86 2a45 h ARG 126 Ca -0.40 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 2a45 h ARG 126 Cb 1.27 0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 2a45 h ARG 126 CO 0.54 -0.15 0.00 0.39 -0.00 0.00 0.00 179.97 180.75 2a45 n GLU 127 N -5.39 0.00 0.00 0.08 -0.58 -1.26 -3.72 120.64 109.77 2a45 n GLU 127 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2a45 n GLU 127 Cb 0.30 -0.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 2a45 n GLU 127 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2a45 n THR 128 N -0.01 0.00 0.00 2.62 -1.04 -1.23 -2.07 114.28 112.55 2a45 n THR 128 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a45 n THR 128 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2a45 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a45 n ALA 129 N 0.38 0.00 -0.29 2.41 0.00 -1.24 0.29 120.51 122.05 2a45 n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2a45 n ALA 129 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2a45 n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2a45 h SER 129 N 0.00 -1.53 0.97 0.00 0.87 -1.64 -2.39 113.55 109.83 2a45 h SER 129 Ca 0.00 0.28 -0.21 0.00 -1.23 0.00 0.00 61.79 60.63 2a45 h SER 129 Cb 0.00 0.73 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 2a45 h SER 129 CO 0.00 -0.30 -1.06 -0.07 -0.53 0.00 0.00 176.83 174.87 2a45 h LEU 129 N -0.11 0.00 -8.80 2.23 4.07 -0.40 -3.44 115.31 108.85 2a45 h LEU 129 Ca 0.24 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.65 2a45 h LEU 129 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 2a45 h LEU 129 CO -0.82 0.93 1.43 -0.76 -1.08 0.00 0.00 178.44 178.14 2a45 s LEU 130 N -6.56 3.43 -0.11 1.67 1.43 -0.90 -4.95 118.68 112.69 2a45 s LEU 130 Ca 0.00 1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 54.13 2a45 s LEU 130 Cb 0.09 -3.17 0.09 0.00 0.03 0.00 0.00 46.19 43.23 2a45 s LEU 130 CO 0.81 -2.13 0.77 -1.58 0.23 0.00 0.00 176.35 174.45 2a45 s GLN 131 N 6.62 0.90 0.89 1.70 0.74 -1.26 -4.92 119.66 124.33 2a45 s GLN 131 Ca 0.89 0.35 -0.16 0.00 0.05 0.00 0.00 55.36 56.48 2a45 s GLN 131 Cb -0.23 0.43 -0.10 0.00 1.10 0.00 0.00 33.01 34.20 2a45 s GLN 131 CO 0.31 -0.25 -0.34 0.00 -0.55 0.00 0.00 175.29 174.45 2a45 n ALA 132 N 1.17 -4.20 0.00 1.58 0.00 -1.23 -1.34 120.51 116.49 2a45 n ALA 132 Ca -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2a45 n ALA 132 Cb 0.57 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2a45 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a45 n GLY 133 N 2.79 0.00 3.65 0.00 0.00 1.81 -4.63 105.19 108.81 2a45 n GLY 133 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2a45 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a45 s TYR 134 N 0.00 1.67 0.69 1.61 2.02 -0.45 -4.04 117.35 118.86 2a45 s TYR 134 Ca 0.00 0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.63 2a45 s TYR 134 Cb 0.00 -4.04 0.01 0.00 -0.40 0.00 0.00 41.96 37.53 2a45 s TYR 134 CO 0.00 -4.35 1.07 0.15 -1.57 0.00 0.00 175.55 170.85 2a45 s LYS 135 N 4.50 2.85 -0.09 -0.62 1.02 -1.26 0.44 119.74 126.59 2a45 s LYS 135 Ca 0.81 1.07 -0.20 0.00 0.02 0.00 0.00 55.97 57.67 2a45 s LYS 135 Cb -0.35 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2a45 s LYS 135 CO 0.34 -1.17 0.47 0.20 -0.92 0.00 0.00 175.35 174.27 2a45 s GLY 136 N -3.46 -0.34 0.20 -3.33 0.00 1.18 -4.77 107.32 96.81 2a45 s GLY 136 Ca 0.60 0.97 0.05 0.00 0.00 0.00 0.00 44.72 46.34 2a45 s GLY 136 CO 0.51 0.73 0.23 -1.60 0.00 0.00 0.00 173.10 172.97 2a45 s ARG 137 N -0.71 3.14 0.28 2.90 3.52 -0.37 0.15 118.95 127.86 2a45 s ARG 137 Ca -0.08 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 54.70 2a45 s ARG 137 Cb -0.03 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 2a45 s ARG 137 CO 0.04 0.45 0.31 0.28 -0.81 0.00 0.00 175.30 175.58 2a45 n VAL 138 N -0.87 0.00 -3.63 7.11 0.31 0.07 0.34 118.33 121.65 2a45 n VAL 138 Ca -0.08 -1.79 -0.12 0.00 -0.01 0.00 0.00 64.34 62.34 2a45 n VAL 138 Cb 0.56 0.97 -0.07 0.00 -0.91 0.00 0.00 33.84 34.39 2a45 n VAL 138 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2a45 s THR 139 N -2.96 0.00 -0.30 2.52 -4.23 -1.13 -3.84 115.64 105.71 2a45 s THR 139 Ca 0.29 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.55 2a45 s THR 139 Cb 0.01 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 73.03 2a45 s THR 139 CO 0.21 0.00 1.42 -0.83 -0.54 0.00 0.00 174.62 174.88 2a45 s GLY 140 N 0.52 0.33 0.00 3.99 0.00 -1.26 -3.82 107.32 107.08 2a45 s GLY 140 Ca -0.01 3.47 0.00 0.00 0.00 0.00 0.00 44.72 48.18 2a45 s GLY 140 CO -0.03 1.91 0.88 0.79 0.00 0.00 0.00 173.10 176.65 2a45 n TRP 141 N 1.58 0.00 0.00 1.90 8.01 -1.26 -3.84 117.44 123.83 2a45 n TRP 141 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 2a45 n TRP 141 Cb 0.57 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 2a45 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2a45 n GLY 142 N 0.38 -1.62 0.00 6.99 0.00 -1.26 -4.42 105.19 105.25 2a45 n GLY 142 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2a45 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a45 n ASN 143 N -0.61 0.00 0.00 1.61 3.02 0.25 -3.64 115.26 115.89 2a45 n ASN 143 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2a45 n ASN 143 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2a45 n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a45 n LEU 144 N 0.00 0.00 0.00 3.41 -0.00 -1.18 0.14 117.00 119.38 2a45 n LEU 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2a45 n LEU 144 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2a45 n LEU 144 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 177.39 179.68 2a45 n LYS 145 N 0.00 0.00 -2.80 1.47 2.85 -1.26 -4.59 118.16 113.83 2a45 n LYS 145 Ca 0.00 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.82 2a45 n LYS 145 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2a45 n LYS 145 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2a45 n GLU 146 N -1.47 3.35 0.00 -1.58 1.02 -1.26 -4.78 120.64 115.92 2a45 n GLU 146 Ca 0.00 -3.69 0.00 0.00 -0.02 0.00 0.00 57.16 53.45 2a45 n GLU 146 Cb 0.00 -3.12 0.00 0.00 -0.02 0.00 0.00 31.44 28.30 2a45 n GLU 146 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a45 n THR 147 N 4.81 0.00 1.42 2.62 -2.24 -1.26 -2.14 114.28 117.49 2a45 n THR 147 Ca 0.40 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.21 2a45 n THR 147 Cb 0.43 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.88 2a45 n THR 147 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2a45 n TRP 148 N -0.06 0.00 -3.62 4.78 4.27 -1.26 -4.86 117.44 116.70 2a45 n TRP 148 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2a45 n TRP 148 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2a45 n TRP 148 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 2a45 n THR 149 N -0.67 0.00 -1.41 -1.67 5.66 -0.91 -5.05 114.28 110.23 2a45 n THR 149 Ca 0.06 0.00 -0.52 0.00 -3.05 0.00 0.00 64.05 60.53 2a45 n THR 149 Cb 0.03 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.73 2a45 n THR 149 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a45 n ALA 149 N -3.00 0.91 -3.37 1.79 0.00 -1.26 -4.86 120.51 110.73 2a45 n ALA 149 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.45 2a45 n ALA 149 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 2a45 n ALA 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2a45 s ASN 149 N 7.02 -0.35 0.00 0.00 0.01 -1.26 -4.78 114.94 115.58 2a45 s ASN 149 Ca 1.11 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.75 2a45 s ASN 149 Cb -0.97 1.36 0.00 0.00 0.41 0.00 0.00 41.25 42.04 2a45 s ASN 149 CO 0.52 -0.07 0.00 0.52 -1.51 0.00 0.00 177.10 176.56 2a45 n VAL 149 N 4.55 0.00 0.00 1.60 0.31 -1.26 -5.02 118.33 118.51 2a45 n VAL 149 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2a45 n VAL 149 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2a45 n VAL 149 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a45 n GLY 149 N 1.76 1.46 3.13 2.92 0.00 -1.26 -4.81 105.19 108.40 2a45 n GLY 149 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 2a45 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a45 s LYS 149 N 0.00 1.46 -0.04 1.61 3.01 -1.26 -5.08 119.74 119.44 2a45 s LYS 149 Ca 0.00 -0.57 -0.04 0.00 -1.01 0.00 0.00 55.97 54.35 2a45 s LYS 149 Cb 0.00 -1.35 -0.03 0.00 -1.01 0.00 0.00 37.83 35.45 2a45 s LYS 149 CO 0.00 0.29 -0.10 0.41 0.51 0.00 0.00 175.35 176.46 2a45 n GLY 150 N 2.89 -0.15 3.38 -3.33 0.00 -1.26 -4.74 105.19 101.98 2a45 n GLY 150 Ca -0.16 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2a45 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a45 s GLN 151 N -2.19 3.42 1.12 1.61 1.11 -1.26 -3.07 119.66 120.40 2a45 s GLN 151 Ca -0.10 -0.65 -0.13 0.00 0.01 0.00 0.00 55.36 54.50 2a45 s GLN 151 Cb 0.03 -2.73 0.26 0.00 -1.01 0.00 0.00 33.01 29.55 2a45 s GLN 151 CO 0.13 0.15 1.05 -1.25 0.01 0.00 0.00 175.29 175.38 2a45 s PRO 152 N 0.54 -0.55 -0.06 2.91 0.04 -1.26 -4.98 135.00 131.64 2a45 s PRO 152 Ca -0.07 0.78 0.12 0.00 0.04 0.00 0.00 61.00 61.87 2a45 s PRO 152 Cb -0.15 -1.60 -0.18 0.00 0.04 0.00 0.00 34.50 32.61 2a45 s PRO 152 CO 0.03 -3.46 0.18 0.43 0.04 0.00 0.00 177.00 174.23 2a45 n SER 153 N -4.73 2.12 -3.76 6.66 7.64 -1.26 -4.73 113.62 115.56 2a45 n SER 153 Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.79 2a45 n SER 153 Cb 0.55 1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 64.92 2a45 n SER 153 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2a45 s VAL 154 N -2.64 0.03 0.06 0.44 1.01 -1.25 -1.25 120.40 116.80 2a45 s VAL 154 Ca -0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 2a45 s VAL 154 Cb 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 36.38 35.78 2a45 s VAL 154 CO 0.51 -0.15 0.47 -0.11 0.00 0.00 0.00 175.10 175.82 2a45 n LEU 155 N 1.96 -0.38 -4.71 3.92 7.94 0.79 -4.71 117.00 121.81 2a45 n LEU 155 Ca -0.18 0.69 -0.31 0.00 -1.11 0.00 0.00 56.01 55.09 2a45 n LEU 155 Cb 0.57 -0.56 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 2a45 n LEU 155 CO 0.19 -1.47 -0.31 -1.10 -1.11 0.00 0.00 177.39 173.60 2a45 s GLN 156 N -0.30 2.74 0.27 1.96 -1.52 -1.25 -2.60 119.66 118.95 2a45 s GLN 156 Ca 0.46 -0.71 -0.24 0.00 -1.95 0.00 0.00 55.36 52.93 2a45 s GLN 156 Cb -0.66 -2.65 -0.09 0.00 -0.22 0.00 0.00 33.01 29.39 2a45 s GLN 156 CO 0.34 0.58 0.85 0.08 -0.25 0.00 0.00 175.29 176.89 2a45 s VAL 157 N -1.25 4.34 -0.29 1.09 1.01 0.16 -4.06 120.40 121.40 2a45 s VAL 157 Ca 0.25 1.64 -0.13 0.00 0.00 0.00 0.00 61.98 63.73 2a45 s VAL 157 Cb -0.12 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.40 2a45 s VAL 157 CO 0.16 0.22 0.73 0.54 0.00 0.00 0.00 175.10 176.75 2a45 s VAL 158 N -1.52 -0.51 -0.02 2.92 0.11 -1.25 -2.85 120.40 117.29 2a45 s VAL 158 Ca 0.46 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 2a45 s VAL 158 Cb -0.19 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2a45 s VAL 158 CO 0.23 0.00 -0.06 0.54 -3.33 0.00 0.00 175.10 172.48 2a45 s ASN 159 N 2.28 0.87 0.03 3.54 2.20 -1.26 -0.75 114.94 121.84 2a45 s ASN 159 Ca -0.07 -0.13 -0.28 0.00 -0.94 0.00 0.00 52.86 51.44 2a45 s ASN 159 Cb -0.08 -0.20 0.07 0.00 -2.00 0.00 0.00 41.25 39.04 2a45 s ASN 159 CO -0.19 0.05 0.64 -1.48 -2.94 0.00 0.00 177.10 173.18 2a45 s LEU 160 N 0.15 -0.60 0.60 3.54 0.05 0.39 -4.83 118.68 117.98 2a45 s LEU 160 Ca -0.02 0.45 -0.18 0.00 0.05 0.00 0.00 54.13 54.43 2a45 s LEU 160 Cb -0.06 2.54 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 2a45 s LEU 160 CO -0.00 -0.73 1.18 -2.16 -0.55 0.00 0.00 176.35 174.08 2a45 s PRO 161 N -2.11 2.95 0.07 1.48 0.04 -1.26 0.37 135.00 136.55 2a45 s PRO 161 Ca -0.07 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 2a45 s PRO 161 Cb -0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2a45 s PRO 161 CO 0.02 -1.19 0.74 0.42 0.04 0.00 0.00 177.00 177.03 2a45 s ILE 162 N -1.77 4.67 -0.07 0.56 1.01 1.55 -3.44 121.20 123.71 2a45 s ILE 162 Ca 0.75 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.99 2a45 s ILE 162 Cb -0.27 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2a45 s ILE 162 CO 0.34 0.41 -0.07 -0.69 0.00 0.00 0.00 174.94 174.93 2a45 s VAL 163 N -0.36 3.66 0.36 2.92 1.01 -1.26 0.49 120.40 127.22 2a45 s VAL 163 Ca 0.37 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2a45 s VAL 163 Cb -0.21 -2.49 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 2a45 s VAL 163 CO 0.23 0.60 1.50 -1.83 0.00 0.00 0.00 175.10 175.59 2a45 s GLU 164 N -0.77 4.12 0.14 2.72 1.03 -1.26 -4.74 118.70 119.94 2a45 s GLU 164 Ca 0.12 2.56 -0.23 0.00 0.03 0.00 0.00 54.97 57.44 2a45 s GLU 164 Cb -0.11 -2.98 -0.00 0.00 -0.80 0.00 0.00 34.13 30.23 2a45 s GLU 164 CO 0.01 -0.53 1.26 0.54 -1.33 0.00 0.00 175.26 175.21 2a45 n ARG 165 N 0.79 -0.32 -0.21 -4.83 1.74 -1.26 -2.24 116.66 110.32 2a45 n ARG 165 Ca 0.02 1.24 -0.05 0.00 -0.77 0.00 0.00 57.85 58.29 2a45 n ARG 165 Cb 0.39 -1.83 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 2a45 n ARG 165 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2a45 n PRO 166 N -5.06 -0.22 -0.25 5.56 -0.02 -1.26 0.13 135.00 133.88 2a45 n PRO 166 Ca 0.03 1.14 -0.07 0.00 -2.02 0.00 0.00 63.50 62.58 2a45 n PRO 166 Cb 0.24 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2a45 n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2a45 h VAL 167 N 0.00 0.07 -0.31 -1.45 2.07 -1.82 0.97 116.25 115.79 2a45 h VAL 167 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2a45 h VAL 167 Cb 0.20 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 2a45 h VAL 167 CO -0.46 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 176.75 2a45 h LYS 169 N -0.25 0.41 0.11 0.00 1.57 0.51 0.58 116.57 119.50 2a45 h LYS 169 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2a45 h LYS 169 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2a45 h LYS 169 CO -0.42 0.27 -0.05 0.22 -0.57 0.00 0.00 179.45 178.90 2a45 h ASP 170 N 0.42 -0.13 -0.50 0.86 3.58 -0.65 -3.16 116.42 116.85 2a45 h ASP 170 Ca 0.34 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2a45 h ASP 170 Cb 0.44 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2a45 h ASP 170 CO -0.33 0.17 0.25 0.77 -2.88 0.00 0.00 179.24 177.22 2a45 h SER 171 N -0.44 0.64 -4.01 2.28 4.64 -1.07 -3.43 113.55 112.16 2a45 h SER 171 Ca -0.02 -0.12 -0.52 0.00 -0.47 0.00 0.00 61.79 60.66 2a45 h SER 171 Cb 0.36 -0.16 0.09 0.00 -0.31 0.00 0.00 62.40 62.38 2a45 h SER 171 CO 0.03 0.58 0.55 0.28 -0.87 0.00 0.00 176.83 177.39 2a45 s THR 172 N -5.75 2.68 -1.24 2.95 -1.32 0.18 -4.91 115.64 108.22 2a45 s THR 172 Ca -0.13 0.52 0.11 0.00 -1.21 0.00 0.00 61.69 60.98 2a45 s THR 172 Cb 0.12 -3.27 0.14 0.00 -1.51 0.00 0.00 72.50 67.97 2a45 s THR 172 CO 0.76 0.01 0.94 -1.14 -2.21 0.00 0.00 174.62 172.98 2a45 n ARG 173 N -0.56 1.09 -3.98 7.08 3.00 -1.26 -4.87 116.66 117.17 2a45 n ARG 173 Ca 0.08 -1.36 -0.33 0.00 -0.00 0.00 0.00 57.85 56.23 2a45 n ARG 173 Cb 0.46 -1.22 -0.06 0.00 0.00 0.00 0.00 32.46 31.64 2a45 n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2a45 s ILE 174 N -0.92 5.18 -0.50 5.15 -1.09 -1.26 -5.01 121.20 122.75 2a45 s ILE 174 Ca 0.15 -0.22 -0.28 0.00 -2.23 0.00 0.00 60.65 58.07 2a45 s ILE 174 Cb 0.10 -3.39 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 2a45 s ILE 174 CO 0.14 0.36 2.40 -1.14 -1.23 0.00 0.00 174.94 175.46 2a45 n ARG 175 N 1.12 1.05 -0.95 2.79 0.63 -1.26 -4.91 116.66 115.12 2a45 n ARG 175 Ca -0.12 0.12 -0.30 0.00 -0.92 0.00 0.00 57.85 56.64 2a45 n ARG 175 Cb 0.53 -3.00 0.17 0.00 0.45 0.00 0.00 32.46 30.62 2a45 n ARG 175 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2a45 s ILE 176 N 10.45 2.37 0.13 5.15 -0.00 -1.26 -4.98 121.20 133.05 2a45 s ILE 176 Ca 1.06 0.12 -0.04 0.00 -0.00 0.00 0.00 60.65 61.79 2a45 s ILE 176 Cb -0.45 -2.42 -0.03 0.00 -0.00 0.00 0.00 42.46 39.56 2a45 s ILE 176 CO 0.34 -0.16 0.11 -0.89 -0.00 0.00 0.00 174.94 174.35 2a45 s THR 177 N -2.77 0.11 -0.54 8.37 2.01 -1.26 -4.99 115.64 116.56 2a45 s THR 177 Ca 0.65 -1.72 0.24 0.00 0.31 0.00 0.00 61.69 61.18 2a45 s THR 177 Cb -0.21 -1.88 0.26 0.00 0.01 0.00 0.00 72.50 70.69 2a45 s THR 177 CO 0.59 -0.50 1.59 0.44 -0.69 0.00 0.00 174.62 176.05 2a45 h ASP 178 N 2.81 0.00 0.61 3.53 5.19 -2.03 -3.05 116.42 123.48 2a45 h ASP 178 Ca -0.34 -0.02 -0.28 0.00 -0.62 0.00 0.00 57.03 55.77 2a45 h ASP 178 Cb 1.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 2a45 h ASP 178 CO 0.57 0.01 -1.41 0.78 -3.12 0.00 0.00 179.24 176.07 2a45 h ASN 179 N 0.00 0.23 -3.75 6.45 2.35 -1.95 -3.46 115.58 115.45 2a45 h ASN 179 Ca 0.00 -0.31 -0.47 0.00 -0.55 0.00 0.00 56.30 54.97 2a45 h ASN 179 Cb 0.89 -0.07 0.06 0.00 0.05 0.00 0.00 38.32 39.24 2a45 h ASN 179 CO 0.00 1.25 0.21 -0.32 -1.65 0.00 0.00 177.43 176.92 2a45 s MET 180 N -2.64 2.80 0.00 0.81 1.75 -1.15 0.06 119.30 120.93 2a45 s MET 180 Ca -0.05 -0.00 0.00 0.00 -1.25 0.00 0.00 55.69 54.38 2a45 s MET 180 Cb 0.08 -2.23 0.00 0.00 2.84 0.00 0.00 34.83 35.52 2a45 s MET 180 CO 0.84 -0.82 0.00 1.97 -0.65 0.00 0.00 175.02 176.36 2a45 n PHE 181 N -2.68 0.00 -1.09 4.11 1.16 -1.11 -4.67 117.46 113.19 2a45 n PHE 181 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 2a45 n PHE 181 Cb 0.58 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.45 2a45 n PHE 181 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a45 n ALA 183 N -3.00 0.00 -3.00 0.00 0.00 -1.14 -4.11 120.51 109.26 2a45 n ALA 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a45 n ALA 183 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2a45 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a45 n GLY 184 N 0.00 1.72 3.13 0.00 0.00 -1.22 -3.84 105.19 104.98 2a45 n GLY 184 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2a45 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a45 s TYR 184 N -2.25 3.31 0.98 1.61 2.02 -1.26 -4.20 117.35 117.55 2a45 s TYR 184 Ca 0.00 -2.09 -0.14 0.00 -0.37 0.00 0.00 57.07 54.47 2a45 s TYR 184 Cb 0.00 -2.15 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 2a45 s TYR 184 CO 0.00 -0.84 0.35 1.63 -1.57 0.00 0.00 175.55 175.12 2a45 n LYS 185 N 4.55 -0.52 0.02 -0.62 4.01 -1.26 -4.85 118.16 119.48 2a45 n LYS 185 Ca -0.12 -0.12 0.20 0.00 -0.51 0.00 0.00 58.31 57.77 2a45 n LYS 185 Cb 0.43 -1.84 0.70 0.00 -0.51 0.00 0.00 35.03 33.81 2a45 n LYS 185 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2a45 h PRO 186 N -1.66 0.00 -0.76 1.97 0.11 -1.98 -3.14 132.00 126.54 2a45 h PRO 186 Ca -0.45 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 2a45 h PRO 186 Cb 1.29 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.23 2a45 h PRO 186 CO 0.35 0.00 0.34 -0.25 -0.21 0.00 0.00 178.00 178.23 2a45 n ASP 186 N -4.29 4.34 -0.02 -2.05 9.92 -1.26 -4.49 116.55 118.70 2a45 n ASP 186 Ca 0.09 -3.36 -0.02 0.00 -0.53 0.00 0.00 54.79 50.97 2a45 n ASP 186 Cb 0.60 -0.75 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 2a45 n ASP 186 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2a45 n GLU 186 N -0.51 3.17 -0.96 -1.24 1.02 -1.19 -5.09 120.64 115.84 2a45 n GLU 186 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2a45 n GLU 186 Cb 1.42 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 2a45 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a45 n GLY 186 N 2.85 0.88 3.02 0.62 0.00 -1.26 -5.09 105.19 106.21 2a45 n GLY 186 Ca -0.05 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.51 2a45 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a45 s LYS 186 N -2.64 0.44 0.00 1.61 1.02 -1.26 -5.17 119.74 113.74 2a45 s LYS 186 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 55.95 2a45 s LYS 186 Cb 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 2a45 s LYS 186 CO 0.00 -0.67 0.00 0.54 -0.92 0.00 0.00 175.35 174.30 2a45 n ARG 187 N 4.32 -0.05 0.00 1.68 1.74 -1.26 -4.59 116.66 118.50 2a45 n ARG 187 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2a45 n ARG 187 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 2a45 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a45 n GLY 188 N 1.58 2.44 0.00 -0.13 0.00 -1.25 -4.84 105.19 102.98 2a45 n GLY 188 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2a45 n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a45 n ASP 189 N 0.00 0.00 -4.74 1.61 2.03 -1.06 -4.75 116.55 109.64 2a45 n ASP 189 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2a45 n ASP 189 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 2a45 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a45 s ALA 190 N -2.00 2.33 0.24 -1.67 0.00 -1.26 -1.76 121.76 117.63 2a45 s ALA 190 Ca 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 2a45 s ALA 190 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2a45 s ALA 190 CO 0.00 -1.55 0.25 0.00 0.00 0.00 0.00 175.76 174.46 2a45 n GLU 192 N -0.37 0.00 0.00 0.00 -0.58 -1.26 0.58 120.64 119.01 2a45 n GLU 192 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2a45 n GLU 192 Cb 0.64 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2a45 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a45 n GLY 193 N 3.73 2.86 0.00 0.62 0.00 -1.26 0.87 105.19 112.01 2a45 n GLY 193 Ca 0.29 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.34 2a45 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a45 n ASP 194 N 0.00 0.00 -4.59 1.61 10.43 0.20 -4.02 116.55 120.17 2a45 n ASP 194 Ca 0.00 -0.95 -0.28 0.00 2.57 0.00 0.00 54.79 56.13 2a45 n ASP 194 Cb 0.00 0.00 0.21 0.00 1.84 0.00 0.00 41.12 43.17 2a45 n ASP 194 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2a45 s SER 195 N -1.61 1.92 0.00 -2.24 0.01 -1.26 -2.98 113.70 107.53 2a45 s SER 195 Ca 0.08 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2a45 s SER 195 Cb 0.04 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2a45 s SER 195 CO 0.06 -3.58 0.00 0.61 0.41 0.00 0.00 173.24 170.74 2a45 n GLY 196 N -0.46 1.59 3.16 3.44 0.00 -1.16 0.33 105.19 112.09 2a45 n GLY 196 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2a45 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a45 n GLY 197 N -1.97 -3.58 3.32 -0.02 0.00 -1.16 -3.04 105.19 98.73 2a45 n GLY 197 Ca 0.00 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 2a45 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a45 s PRO 198 N -5.13 3.38 -1.12 1.61 0.04 -1.25 -3.79 135.00 128.74 2a45 s PRO 198 Ca 0.66 -0.63 -0.16 0.00 0.04 0.00 0.00 61.00 60.91 2a45 s PRO 198 Cb -0.10 -2.97 0.15 0.00 0.04 0.00 0.00 34.50 31.63 2a45 s PRO 198 CO 0.54 -0.15 1.36 0.12 0.04 0.00 0.00 177.00 178.91 2a45 s PHE 199 N 1.34 3.33 0.63 0.56 2.19 0.12 -2.83 117.98 123.31 2a45 s PHE 199 Ca 0.04 -1.86 -0.18 0.00 0.33 0.00 0.00 56.93 55.27 2a45 s PHE 199 Cb -0.14 -4.33 -0.02 0.00 -1.31 0.00 0.00 43.02 37.22 2a45 s PHE 199 CO -0.03 -1.46 1.20 0.14 1.83 0.00 0.00 175.22 176.91 2a45 s VAL 200 N 2.12 2.61 -0.29 3.12 -7.23 1.03 -0.29 120.40 121.46 2a45 s VAL 200 Ca 0.40 0.35 -0.15 0.00 -1.81 0.00 0.00 61.98 60.78 2a45 s VAL 200 Cb -0.03 -3.05 0.14 0.00 0.56 0.00 0.00 36.38 33.99 2a45 s VAL 200 CO -0.03 -0.11 0.88 -0.04 -0.31 0.00 0.00 175.10 175.49 2a45 s MET 201 N -3.54 0.44 0.07 4.82 -1.94 0.79 -1.24 119.30 118.70 2a45 s MET 201 Ca 0.76 0.91 -0.26 0.00 -1.71 0.00 0.00 55.69 55.39 2a45 s MET 201 Cb -0.29 0.33 -0.06 0.00 2.01 0.00 0.00 34.83 36.82 2a45 s MET 201 CO 0.37 -0.12 0.81 0.21 -0.01 0.00 0.00 175.02 176.28 2a45 s LYS 202 N 1.98 4.55 -0.21 2.03 2.20 -1.26 0.11 119.74 129.13 2a45 s LYS 202 Ca -0.07 1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 56.41 2a45 s LYS 202 Cb -0.06 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2a45 s LYS 202 CO -0.17 0.29 1.24 0.45 -0.36 0.00 0.00 175.35 176.80 2a45 s SER 203 N -0.14 6.89 0.33 1.43 0.15 0.92 -4.89 113.70 118.39 2a45 s SER 203 Ca 0.40 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.58 2a45 s SER 203 Cb -0.21 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.13 2a45 s SER 203 CO 0.25 -0.84 1.93 1.55 1.20 0.00 0.00 173.24 177.33 2a45 h PRO 204 N 8.39 0.75 0.00 5.44 0.13 -1.93 0.42 132.00 145.20 2a45 h PRO 204 Ca -0.25 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2a45 h PRO 204 Cb 1.09 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2a45 h PRO 204 CO 0.99 0.60 0.00 1.19 -0.23 0.00 0.00 178.00 180.55 2a45 n PHE 204 N -4.36 0.00 -1.56 1.56 3.72 -1.26 -3.41 117.46 112.15 2a45 n PHE 204 Ca 0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.47 2a45 n PHE 204 Cb 0.14 -0.35 0.21 0.00 -0.94 0.00 0.00 39.48 38.54 2a45 n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2a45 n ASN 204 N -2.28 1.94 -1.09 4.37 2.04 -1.23 -4.94 115.26 114.07 2a45 n ASN 204 Ca 0.00 -3.88 -0.04 0.00 -0.44 0.00 0.00 54.58 50.22 2a45 n ASN 204 Cb 0.00 -0.56 -0.02 0.00 -2.53 0.00 0.00 39.78 36.67 2a45 n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2a45 n ASN 205 N -1.12 -1.23 -4.87 0.53 6.94 0.15 -4.90 115.26 110.75 2a45 n ASN 205 Ca 0.23 0.11 -0.28 0.00 -0.02 0.00 0.00 54.58 54.62 2a45 n ASN 205 Cb 0.79 -1.46 0.09 0.00 -2.36 0.00 0.00 39.78 36.84 2a45 n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2a45 s ARG 206 N -2.32 1.94 -0.10 -3.83 0.52 -1.18 -4.59 118.95 109.40 2a45 s ARG 206 Ca 0.00 0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2a45 s ARG 206 Cb 0.00 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 2a45 s ARG 206 CO 0.00 -1.57 0.01 -1.58 0.02 0.00 0.00 175.30 172.18 2a45 s TRP 207 N -3.53 3.19 -0.08 -0.53 0.52 -1.26 0.31 118.94 117.57 2a45 s TRP 207 Ca 0.62 0.20 -0.01 0.00 0.02 0.00 0.00 56.10 56.92 2a45 s TRP 207 Cb -0.11 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.42 2a45 s TRP 207 CO 0.48 0.46 -0.00 0.71 0.02 0.00 0.00 176.95 178.62 2a45 s TYR 208 N -0.79 0.72 -0.04 -1.98 4.12 0.30 -1.87 117.35 117.82 2a45 s TYR 208 Ca 0.12 -0.21 -0.20 0.00 0.02 0.00 0.00 57.07 56.81 2a45 s TYR 208 Cb -0.12 -0.83 -0.05 0.00 -1.52 0.00 0.00 41.96 39.45 2a45 s TYR 208 CO 0.02 -0.34 0.57 -1.14 0.02 0.00 0.00 175.55 174.68 2a45 s GLN 209 N 1.96 4.31 -0.00 -0.62 0.74 -1.26 -0.15 119.66 124.63 2a45 s GLN 209 Ca 0.05 0.66 0.01 0.00 0.05 0.00 0.00 55.36 56.13 2a45 s GLN 209 Cb -0.12 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 2a45 s GLN 209 CO -0.05 0.31 0.05 -1.33 -0.55 0.00 0.00 175.29 173.71 2a45 n MET 210 N 2.99 6.23 -3.82 1.67 2.81 0.60 -4.75 117.12 122.85 2a45 n MET 210 Ca -0.07 -0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.70 2a45 n MET 210 Cb 0.51 -0.58 -0.12 0.00 -0.71 0.00 0.00 33.22 32.32 2a45 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2a45 s GLY 211 N -1.17 -0.11 -0.37 3.03 0.00 -1.23 -0.07 107.32 107.41 2a45 s GLY 211 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 44.72 45.00 2a45 s GLY 211 CO 0.05 0.34 0.25 -0.42 0.00 0.00 0.00 173.10 173.31 2a45 s ILE 212 N -0.02 5.08 -1.00 0.90 1.09 -1.18 0.10 121.20 126.17 2a45 s ILE 212 Ca -0.01 -0.52 -0.17 0.00 -1.10 0.00 0.00 60.65 58.85 2a45 s ILE 212 Cb -0.02 -3.73 -0.29 0.00 -1.06 0.00 0.00 42.46 37.36 2a45 s ILE 212 CO 0.00 -0.15 2.36 0.52 -0.10 0.00 0.00 174.94 177.57 2a45 n VAL 213 N 5.09 -0.00 -0.05 2.92 0.31 -1.25 -2.28 118.33 123.08 2a45 n VAL 213 Ca -0.12 -0.31 -0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2a45 n VAL 213 Cb 0.48 -0.22 -0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2a45 n VAL 213 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2a45 h SER 214 N 11.43 0.00 -1.31 4.52 0.87 -1.61 -3.07 113.55 124.38 2a45 h SER 214 Ca 0.00 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2a45 h SER 214 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2a45 h SER 214 CO 1.53 0.52 0.12 -2.67 -0.53 0.00 0.00 176.83 175.80 2a45 n TRP 215 N -4.77 -1.06 0.00 2.24 4.27 -1.08 -4.91 117.44 112.13 2a45 n TRP 215 Ca -0.00 -0.42 0.00 0.00 -3.89 0.00 0.00 57.50 53.19 2a45 n TRP 215 Cb 0.02 0.21 0.00 0.00 -1.36 0.00 0.00 31.31 30.17 2a45 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2a45 n GLY 216 N -0.17 1.73 3.55 -1.67 0.00 -1.26 0.15 105.19 107.51 2a45 n GLY 216 Ca -0.01 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2a45 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a45 s GLU 217 N -0.46 2.53 0.07 1.61 2.02 -1.26 -4.71 118.70 118.50 2a45 s GLU 217 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.72 2a45 s GLU 217 Cb 0.00 -4.43 0.00 0.00 0.10 0.00 0.00 34.13 29.80 2a45 s GLU 217 CO 0.00 -2.84 0.00 0.41 0.02 0.00 0.00 175.26 172.85 2a45 n GLY 219 N 5.77 -1.49 3.30 -1.39 0.00 -1.26 -4.82 105.19 105.30 2a45 n GLY 219 Ca 0.23 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2a45 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a45 n ASP 221 N 4.79 -6.88 -4.01 0.00 2.03 -1.26 -4.79 116.55 106.43 2a45 n ASP 221 Ca -0.18 0.38 -0.14 0.00 0.52 0.00 0.00 54.79 55.36 2a45 n ASP 221 Cb 0.50 -3.51 -0.13 0.00 -0.72 0.00 0.00 41.12 37.27 2a45 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2a45 s ARG 221 N -2.22 0.47 -0.46 -0.67 0.52 -1.26 -4.93 118.95 110.40 2a45 s ARG 221 Ca 0.24 -0.48 -0.27 0.00 -0.52 0.00 0.00 55.73 54.70 2a45 s ARG 221 Cb -0.04 -0.34 -0.08 0.00 0.52 0.00 0.00 34.95 35.01 2a45 s ARG 221 CO 0.72 0.08 2.39 -0.25 0.02 0.00 0.00 175.30 178.25 2a45 n ASP 222 N 2.19 2.36 0.00 0.23 8.00 -1.26 0.14 116.55 128.21 2a45 n ASP 222 Ca -0.18 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.06 2a45 n ASP 222 Cb 0.56 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2a45 n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a45 n GLY 223 N 6.03 2.80 3.80 0.44 0.00 -1.26 -5.06 105.19 111.94 2a45 n GLY 223 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 2a45 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a45 s LYS 224 N -0.52 3.20 0.00 1.61 -0.14 0.37 -4.75 119.74 119.53 2a45 s LYS 224 Ca 0.00 -0.33 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 2a45 s LYS 224 Cb 0.00 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.17 2a45 s LYS 224 CO 0.00 0.71 -0.02 0.71 -0.76 0.00 0.00 175.35 175.99 2a45 s TYR 225 N -1.06 0.22 0.72 3.18 2.02 -1.26 -4.00 117.35 117.16 2a45 s TYR 225 Ca 0.18 -0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.61 2a45 s TYR 225 Cb -0.12 -0.14 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2a45 s TYR 225 CO 0.08 -0.03 1.15 0.20 -1.57 0.00 0.00 175.55 175.38 2a45 s GLY 226 N -0.32 2.17 0.12 0.71 0.00 -1.25 -4.66 107.32 104.09 2a45 s GLY 226 Ca -0.02 0.67 0.08 0.00 0.00 0.00 0.00 44.72 45.45 2a45 s GLY 226 CO -0.00 1.05 -0.13 -1.36 0.00 0.00 0.00 173.10 172.67 2a45 s PHE 227 N -2.25 2.65 -0.01 1.90 0.40 0.39 -2.89 117.98 118.17 2a45 s PHE 227 Ca 0.70 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 2a45 s PHE 227 Cb -0.24 -1.38 0.01 0.00 0.51 0.00 0.00 43.02 41.92 2a45 s PHE 227 CO 0.45 0.43 0.00 0.71 0.70 0.00 0.00 175.22 177.51 2a45 s TYR 228 N -1.27 0.14 0.90 0.36 1.51 0.24 -1.49 117.35 117.75 2a45 s TYR 228 Ca 0.21 0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 56.17 2a45 s TYR 228 Cb -0.11 -0.19 0.07 0.00 -0.11 0.00 0.00 41.96 41.62 2a45 s TYR 228 CO 0.13 -0.05 0.74 2.41 -1.11 0.00 0.00 175.55 177.67 2a45 n THR 229 N 3.58 0.43 -3.44 -0.71 -1.04 -0.97 -2.74 114.28 109.40 2a45 n THR 229 Ca -0.20 -0.15 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 2a45 n THR 229 Cb 0.55 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 2a45 n THR 229 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2a45 s HIS 230 N -2.39 3.98 0.00 -1.42 2.46 0.11 -3.08 115.29 114.95 2a45 s HIS 230 Ca 0.63 -2.58 0.00 0.00 0.47 0.00 0.00 55.06 53.58 2a45 s HIS 230 Cb -0.24 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 2a45 s HIS 230 CO 0.62 -0.91 0.27 0.28 -2.47 0.00 0.00 174.74 172.53 2a45 n VAL 231 N 3.04 0.00 -0.15 0.89 0.31 0.91 -1.80 118.33 121.52 2a45 n VAL 231 Ca 0.19 0.51 -0.11 0.00 -0.01 0.00 0.00 64.34 64.92 2a45 n VAL 231 Cb 0.41 -0.75 -0.07 0.00 -0.91 0.00 0.00 33.84 32.52 2a45 n VAL 231 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2a45 h PHE 232 N 0.00 -1.44 -1.05 3.52 3.57 -1.91 2.49 116.94 122.11 2a45 h PHE 232 Ca 0.00 0.08 0.28 0.00 3.53 0.00 0.00 57.97 61.85 2a45 h PHE 232 Cb 0.00 0.69 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 2a45 h PHE 232 CO -0.07 -0.46 0.68 -0.09 -2.23 0.00 0.00 178.31 176.15 2a45 h ARG 233 N -0.33 0.35 -0.54 1.11 2.43 -1.87 1.88 114.38 117.41 2a45 h ARG 233 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2a45 h ARG 233 Cb 0.59 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2a45 h ARG 233 CO -0.61 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.36 2a45 n LEU 234 N -4.61 3.58 -0.05 3.80 4.77 0.11 -4.38 117.00 120.22 2a45 n LEU 234 Ca 0.26 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 2a45 n LEU 234 Cb 0.91 -0.39 0.29 0.00 -2.33 0.00 0.00 43.42 41.91 2a45 n LEU 234 CO 0.26 0.85 1.02 0.50 -1.33 0.00 0.00 177.39 178.68 2a45 h LYS 235 N 3.16 0.64 -0.37 3.23 3.64 1.79 -3.14 116.57 125.52 2a45 h LYS 235 Ca 0.00 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2a45 h LYS 235 Cb 0.94 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 2a45 h LYS 235 CO 0.03 0.57 -0.40 1.57 -2.27 0.00 0.00 179.45 178.94 2a45 h LYS 236 N 0.62 -0.22 -0.87 1.90 2.10 -1.76 0.26 116.57 118.60 2a45 h LYS 236 Ca 0.15 0.02 0.18 0.00 -2.00 0.00 0.00 60.65 58.99 2a45 h LYS 236 Cb 0.21 0.05 -0.16 0.00 -0.90 0.00 0.00 32.23 31.42 2a45 h LYS 236 CO -0.01 -0.15 -0.20 2.35 -2.00 0.00 0.00 179.45 179.44 2a45 h TRP 237 N -0.23 -0.43 -0.72 0.07 7.01 -1.88 -0.80 115.95 118.96 2a45 h TRP 237 Ca 0.06 0.08 0.06 0.00 2.11 0.00 0.00 58.89 61.21 2a45 h TRP 237 Cb 0.40 0.33 -0.09 0.00 -2.10 0.00 0.00 29.16 27.70 2a45 h TRP 237 CO -0.75 -0.37 -0.43 -0.89 -2.79 0.00 0.00 178.44 173.21 2a45 n ILE 238 N -5.55 -0.49 -0.08 2.65 5.41 0.89 -0.48 119.36 121.71 2a45 n ILE 238 Ca 0.13 2.12 -0.07 0.00 1.00 0.00 0.00 62.75 65.93 2a45 n ILE 238 Cb 0.45 -2.65 -0.00 0.00 -0.71 0.00 0.00 39.64 36.72 2a45 n ILE 238 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2a45 h GLN 239 N 0.00 -0.14 -1.00 0.38 7.50 -0.89 -0.29 115.11 120.66 2a45 h GLN 239 Ca 0.12 0.01 0.30 0.00 0.50 0.00 0.00 58.65 59.57 2a45 h GLN 239 Cb 0.30 0.03 -0.19 0.00 0.05 0.00 0.00 27.48 27.67 2a45 h GLN 239 CO -0.68 -0.10 0.10 1.63 -1.50 0.00 0.00 178.83 178.29 2a45 n LYS 240 N -5.35 -0.08 -0.04 1.46 4.76 0.37 0.14 118.16 119.42 2a45 n LYS 240 Ca 0.01 1.48 -0.14 0.00 -2.87 0.00 0.00 58.31 56.79 2a45 n LYS 240 Cb 0.27 -2.39 -0.09 0.00 -1.84 0.00 0.00 35.03 30.98 2a45 n LYS 240 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2a45 h VAL 241 N 0.00 1.40 -0.07 -0.18 -1.51 0.27 -3.11 116.25 113.04 2a45 h VAL 241 Ca 0.64 -1.41 -0.06 0.00 -1.23 0.00 0.00 66.70 64.65 2a45 h VAL 241 Cb 1.41 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2a45 h VAL 241 CO -0.91 0.40 -0.17 0.16 -1.23 0.00 0.00 177.57 175.81 2a45 h ILE 242 N -0.22 1.42 -1.13 7.19 -0.00 -0.67 -2.98 117.51 121.11 2a45 h ILE 242 Ca 0.01 -1.51 0.33 0.00 -0.00 0.00 0.00 64.86 63.69 2a45 h ILE 242 Cb 0.71 2.22 -0.11 0.00 -0.00 0.00 0.00 36.82 39.64 2a45 h ILE 242 CO 0.03 0.42 0.73 0.44 -0.00 0.00 0.00 178.15 179.77 2a45 h ASP 243 N -0.25 0.38 0.03 2.16 3.45 0.11 0.74 116.42 123.04 2a45 h ASP 243 Ca -0.00 0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 2a45 h ASP 243 Cb 0.77 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 2a45 h ASP 243 CO 0.04 -0.03 -0.02 -0.61 -1.57 0.00 0.00 179.24 177.06 2a45 h GLN 244 N 0.28 -0.04 -0.23 3.56 5.75 -1.51 -3.40 115.11 119.51 2a45 h GLN 244 Ca 0.68 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.19 2a45 h GLN 244 Cb 1.90 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.46 2a45 h GLN 244 CO -0.36 0.28 0.00 1.19 -2.65 0.00 0.00 178.83 177.29 2a45 n PHE 245 N -4.76 0.30 0.56 3.99 3.72 -1.08 -5.14 117.46 115.04 2a45 n PHE 245 Ca -0.04 -0.28 0.04 0.00 -0.05 0.00 0.00 57.45 57.13 2a45 n PHE 245 Cb 0.16 -0.01 0.26 0.00 -0.94 0.00 0.00 39.48 38.96 2a45 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12