#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 5.09 -0.37 1.39 1.01 0.14 -4.58 120.40 123.08 2a45 s VAL 17 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2a45 s VAL 17 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2a45 s VAL 17 CO 0.00 -0.10 0.52 -0.62 0.00 0.00 0.00 175.10 174.90 2a45 n GLU 18 N -0.33 -1.90 -0.00 2.72 1.02 -1.26 -2.48 120.64 118.41 2a45 n GLU 18 Ca -0.02 1.58 0.00 0.00 -0.02 0.00 0.00 57.16 58.70 2a45 n GLU 18 Cb 0.53 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 2a45 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a45 n GLY 19 N 0.05 4.49 2.94 0.62 0.00 -1.26 -4.59 105.19 107.44 2a45 n GLY 19 Ca -0.02 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 1.31 -0.12 -0.67 1.61 1.04 -1.25 -4.99 113.70 110.63 2a45 s SER 20 Ca 0.00 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 2a45 s SER 20 Cb 0.00 0.21 -0.23 0.00 0.10 0.00 0.00 66.02 66.10 2a45 s SER 20 CO 0.00 -0.15 1.76 0.47 0.98 0.00 0.00 173.24 176.30 2a45 n ASP 21 N 4.16 -1.63 -2.48 7.02 9.92 -1.26 -3.45 116.55 128.83 2a45 n ASP 21 Ca -0.26 -0.82 -0.22 0.00 -0.53 0.00 0.00 54.79 52.96 2a45 n ASP 21 Cb 0.52 -0.55 0.02 0.00 -0.64 0.00 0.00 41.12 40.48 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 5.12 -4.25 -1.32 2.24 0.00 -0.85 -4.97 120.51 116.47 2a45 n ALA 22 Ca 0.46 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 2a45 n ALA 22 Cb 0.25 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.03 2a45 n ALA 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2a45 n GLU 23 N 1.51 -0.18 -3.66 0.00 1.02 -1.26 -4.92 120.64 113.15 2a45 n GLU 23 Ca -0.01 -0.44 -0.37 0.00 -0.02 0.00 0.00 57.16 56.32 2a45 n GLU 23 Cb 0.34 -0.26 -0.10 0.00 -0.02 0.00 0.00 31.44 31.40 2a45 n GLU 23 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2a45 s ILE 24 N -1.46 5.30 0.00 -3.67 1.01 -1.26 -4.36 121.20 116.76 2a45 s ILE 24 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2a45 s ILE 24 Cb -0.00 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2a45 s ILE 24 CO 0.11 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2a45 n GLY 25 N 4.47 1.96 0.33 6.18 0.00 -1.26 -4.89 105.19 111.97 2a45 n GLY 25 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 2a45 n GLY 25 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2a45 h MET 26 N 2.69 0.02 -4.17 1.61 2.86 -1.99 -3.23 114.93 112.73 2a45 h MET 26 Ca 0.00 -0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2a45 h MET 26 Cb 0.00 -0.01 -0.40 0.00 0.06 0.00 0.00 31.60 31.25 2a45 h MET 26 CO 0.00 0.02 -0.73 0.45 1.06 0.00 0.00 176.91 177.71 2a45 s SER 27 N -5.10 4.46 0.00 1.22 0.15 -1.26 -4.91 113.70 108.27 2a45 s SER 27 Ca -0.13 -2.09 0.13 0.00 0.70 0.00 0.00 55.95 54.56 2a45 s SER 27 Cb 0.27 -1.37 0.40 0.00 -1.71 0.00 0.00 66.02 63.62 2a45 s SER 27 CO 0.77 -0.37 1.32 -0.81 1.20 0.00 0.00 173.24 175.35 2a45 n PRO 28 N 4.32 1.81 -0.00 5.44 -0.04 -1.22 -3.27 135.00 142.04 2a45 n PRO 28 Ca 0.02 -1.25 0.04 0.00 -0.04 0.00 0.00 63.50 62.27 2a45 n PRO 28 Cb 0.41 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.50 0.00 -1.55 0.54 2.14 -0.86 -0.47 117.44 117.74 2a45 n TRP 29 Ca 0.13 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.52 2a45 n TRP 29 Cb 0.31 -0.12 -0.09 0.00 -0.81 0.00 0.00 31.31 30.60 2a45 n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2a45 n GLN 30 N -1.56 0.51 -2.57 -2.67 -0.06 -1.20 -1.43 117.38 108.38 2a45 n GLN 30 Ca -0.00 -0.59 -0.29 0.00 -2.00 0.00 0.00 57.00 54.12 2a45 n GLN 30 Cb 0.17 -3.16 -0.01 0.00 -4.06 0.00 0.00 30.24 23.18 2a45 n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2a45 s VAL 31 N 11.95 4.83 -0.15 1.69 1.01 -1.15 -3.30 120.40 135.28 2a45 s VAL 31 Ca 1.01 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 2a45 s VAL 31 Cb -0.29 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.31 2a45 s VAL 31 CO 0.20 -0.79 -0.02 -0.32 0.00 0.00 0.00 175.10 174.17 2a45 s MET 32 N -4.51 1.02 -0.14 2.72 1.75 -0.92 -0.02 119.30 119.21 2a45 s MET 32 Ca 0.50 -0.33 -0.24 0.00 -1.25 0.00 0.00 55.69 54.38 2a45 s MET 32 Cb -0.10 -1.76 -0.02 0.00 2.84 0.00 0.00 34.83 35.78 2a45 s MET 32 CO 0.42 -0.45 0.75 -1.17 -0.65 0.00 0.00 175.02 173.92 2a45 s LEU 33 N 1.78 4.22 0.05 4.11 0.20 0.65 0.20 118.68 129.89 2a45 s LEU 33 Ca 0.01 1.12 0.06 0.00 0.69 0.00 0.00 54.13 56.02 2a45 s LEU 33 Cb -0.15 -3.12 -0.02 0.00 -0.43 0.00 0.00 46.19 42.47 2a45 s LEU 33 CO -0.07 -0.27 -0.18 0.12 -0.29 0.00 0.00 176.35 175.66 2a45 s PHE 34 N 1.62 1.55 -0.35 5.38 5.36 1.05 -2.14 117.98 130.46 2a45 s PHE 34 Ca 0.36 -0.37 -0.22 0.00 -0.96 0.00 0.00 56.93 55.74 2a45 s PHE 34 Cb -0.17 -0.92 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 2a45 s PHE 34 CO 0.14 0.08 0.73 0.50 -1.46 0.00 0.00 175.22 175.21 2a45 s ARG 35 N -1.23 3.78 0.00 10.12 3.00 0.34 0.11 118.95 135.07 2a45 s ARG 35 Ca 0.05 0.29 0.00 0.00 -1.00 0.00 0.00 55.73 55.07 2a45 s ARG 35 Cb -0.08 -3.79 0.00 0.00 0.00 0.00 0.00 34.95 31.08 2a45 s ARG 35 CO 0.02 -0.77 0.09 0.36 0.00 0.00 0.00 175.30 175.00 2a45 n LYS 36 N 6.23 0.00 -3.87 5.12 -0.00 -0.76 -2.61 118.16 122.27 2a45 n LYS 36 Ca 0.02 0.07 -0.36 0.00 -0.00 0.00 0.00 58.31 58.04 2a45 n LYS 36 Cb 0.48 -0.59 -0.14 0.00 -0.00 0.00 0.00 35.03 34.79 2a45 n LYS 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2a45 s SER 36 N -2.75 4.60 1.00 -5.58 0.15 -1.26 -2.69 113.70 107.16 2a45 s SER 36 Ca 0.00 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.00 2a45 s SER 36 Cb 0.00 -1.77 0.08 0.00 -1.71 0.00 0.00 66.02 62.62 2a45 s SER 36 CO 0.00 -0.10 0.49 -0.81 1.20 0.00 0.00 173.24 174.02 2a45 n PRO 37 N 4.79 -0.50 -2.74 5.44 -0.04 -1.26 -5.05 135.00 135.64 2a45 n PRO 37 Ca -0.17 -0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 2a45 n PRO 37 Cb 0.49 -0.50 -0.03 0.00 -0.04 0.00 0.00 33.50 33.41 2a45 n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a45 s GLN 38 N -4.06 3.23 -0.05 0.54 -1.52 -1.10 -4.45 119.66 112.25 2a45 s GLN 38 Ca 0.28 -0.78 0.03 0.00 -1.95 0.00 0.00 55.36 52.94 2a45 s GLN 38 Cb -0.01 -4.40 0.00 0.00 -0.22 0.00 0.00 33.01 28.39 2a45 s GLN 38 CO 0.19 -1.95 -0.14 -1.21 -0.25 0.00 0.00 175.29 171.93 2a45 s GLU 39 N 4.53 1.68 -0.84 2.91 2.02 -1.07 -4.94 118.70 122.98 2a45 s GLU 39 Ca 0.30 -0.50 -0.20 0.00 0.02 0.00 0.00 54.97 54.59 2a45 s GLU 39 Cb -0.11 -1.43 0.11 0.00 0.10 0.00 0.00 34.13 32.80 2a45 s GLU 39 CO 0.08 0.14 1.08 -1.17 0.02 0.00 0.00 175.26 175.40 2a45 s LEU 40 N 0.31 4.80 -0.11 1.80 2.96 -1.26 0.13 118.68 127.31 2a45 s LEU 40 Ca -0.08 -1.69 -0.28 0.00 -0.22 0.00 0.00 54.13 51.85 2a45 s LEU 40 Cb -0.13 -2.41 -0.25 0.00 0.50 0.00 0.00 46.19 43.90 2a45 s LEU 40 CO 0.03 -1.19 0.88 0.17 -1.32 0.00 0.00 176.35 174.91 2a45 h LEU 41 N 10.77 0.01 -7.35 -0.68 8.10 -1.78 -3.49 115.31 120.89 2a45 h LEU 41 Ca 0.01 -0.89 -0.06 0.00 0.11 0.00 0.00 57.88 57.05 2a45 h LEU 41 Cb 1.04 -0.00 -0.15 0.00 -0.44 0.00 0.00 40.66 41.10 2a45 h LEU 41 CO 1.14 0.90 -0.07 0.00 -4.11 0.00 0.00 178.44 176.30 2a45 s GLY 43 N -2.30 1.72 0.46 0.00 0.00 -0.06 -0.25 107.32 106.88 2a45 s GLY 43 Ca -0.02 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.65 2a45 s GLY 43 CO -0.06 0.19 0.10 0.00 0.00 0.00 0.00 173.10 173.33 2a45 n ALA 44 N -2.51 0.54 -4.01 3.20 0.00 0.98 -3.48 120.51 115.23 2a45 n ALA 44 Ca 0.06 -2.20 -0.31 0.00 0.00 0.00 0.00 53.44 50.98 2a45 n ALA 44 Cb 0.54 1.38 -0.15 0.00 0.00 0.00 0.00 19.45 21.22 2a45 n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2a45 s SER 45 N -3.68 4.52 -0.22 0.00 0.01 0.51 -2.91 113.70 111.93 2a45 s SER 45 Ca 0.14 -1.76 -0.29 0.00 1.31 0.00 0.00 55.95 55.35 2a45 s SER 45 Cb 0.01 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.73 2a45 s SER 45 CO 0.10 -0.30 1.01 -0.22 0.41 0.00 0.00 173.24 174.24 2a45 s LEU 46 N 1.06 4.11 -0.00 2.44 1.98 -0.52 0.63 118.68 128.38 2a45 s LEU 46 Ca 0.02 1.36 0.06 0.00 -2.89 0.00 0.00 54.13 52.68 2a45 s LEU 46 Cb -0.19 -3.50 0.11 0.00 0.66 0.00 0.00 46.19 43.26 2a45 s LEU 46 CO -0.08 -0.63 1.04 2.30 -1.89 0.00 0.00 176.35 177.10 2a45 n ILE 47 N 5.22 0.02 0.00 6.68 -0.00 -1.15 -1.99 119.36 128.15 2a45 n ILE 47 Ca 0.11 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 2a45 n ILE 47 Cb 0.46 0.61 0.00 0.00 -0.00 0.00 0.00 39.64 40.71 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 0.10 0.00 0.10 7.28 2.88 -1.18 -4.85 113.62 117.95 2a45 n SER 48 Ca 0.02 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.63 2a45 n SER 48 Cb 0.81 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.63 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 0.35 -0.20 -3.46 5.68 -1.26 -2.82 116.55 114.84 2a45 n ASP 49 Ca 0.00 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 2a45 n ASP 49 Cb 0.00 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 2a45 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2a45 n ARG 50 N -1.96 0.00 -3.84 0.11 1.74 -1.26 -2.02 116.66 109.43 2a45 n ARG 50 Ca -0.00 -0.70 -0.12 0.00 -0.77 0.00 0.00 57.85 56.26 2a45 n ARG 50 Cb 0.05 -0.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.87 2a45 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2a45 s TRP 51 N -0.00 -0.09 -0.11 -1.55 0.52 -1.13 -1.74 118.94 114.84 2a45 s TRP 51 Ca 0.00 0.22 -0.10 0.00 0.02 0.00 0.00 56.10 56.24 2a45 s TRP 51 Cb 0.00 0.02 0.03 0.00 -1.15 0.00 0.00 33.47 32.37 2a45 s TRP 51 CO 0.00 -0.14 0.29 0.08 0.02 0.00 0.00 176.95 177.20 2a45 s VAL 52 N -0.36 -0.00 0.16 4.03 1.01 0.30 -2.92 120.40 122.62 2a45 s VAL 52 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 2a45 s VAL 52 Cb -0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 2a45 s VAL 52 CO 0.01 0.00 0.67 -0.22 0.00 0.00 0.00 175.10 175.55 2a45 s LEU 53 N 0.19 4.44 0.06 3.92 2.96 0.20 -1.21 118.68 129.25 2a45 s LEU 53 Ca -0.00 1.37 -0.27 0.00 -0.22 0.00 0.00 54.13 55.01 2a45 s LEU 53 Cb -0.02 -3.30 0.07 0.00 0.50 0.00 0.00 46.19 43.44 2a45 s LEU 53 CO 0.00 0.14 0.66 0.28 -1.32 0.00 0.00 176.35 176.11 2a45 s THR 54 N -1.33 0.00 0.07 3.68 -1.32 0.18 0.19 115.64 117.11 2a45 s THR 54 Ca 0.37 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.55 2a45 s THR 54 Cb -0.18 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.71 2a45 s THR 54 CO 0.21 0.00 1.92 0.00 -2.21 0.00 0.00 174.62 174.55 2a45 n ALA 55 N 0.18 1.83 -0.33 11.08 0.00 -1.26 0.36 120.51 132.37 2a45 n ALA 55 Ca -0.17 0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 2a45 n ALA 55 Cb 0.61 -2.65 0.11 0.00 0.00 0.00 0.00 19.45 17.52 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 9.78 1.15 -0.72 0.00 0.00 -1.71 0.99 119.26 128.76 2a45 h ALA 56 Ca -0.49 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2a45 h ALA 56 Cb 1.23 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2a45 h ALA 56 CO 0.94 0.46 0.43 1.12 0.00 0.00 0.00 179.25 182.20 2a45 h HIS 57 N 1.14 0.79 -0.14 0.00 2.07 -1.85 0.34 115.15 117.50 2a45 h HIS 57 Ca 0.34 0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.93 2a45 h HIS 57 Cb -0.04 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 29.68 2a45 h HIS 57 CO -0.01 0.41 0.40 0.00 -3.07 0.00 0.00 177.93 175.65 2a45 n LEU 59 N -3.15 2.38 -3.51 0.00 7.99 0.06 -4.92 117.00 115.85 2a45 n LEU 59 Ca 0.01 0.24 -0.10 0.00 -0.01 0.00 0.00 56.01 56.16 2a45 n LEU 59 Cb 0.49 -1.02 -0.09 0.00 -0.11 0.00 0.00 43.42 42.68 2a45 n LEU 59 CO 0.18 0.66 -0.03 -0.22 -1.51 0.00 0.00 177.39 176.46 2a45 s LEU 60 N -7.28 -0.59 0.28 2.23 2.96 -0.81 -1.77 118.68 113.71 2a45 s LEU 60 Ca -0.28 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2a45 s LEU 60 Cb 0.07 1.15 -0.06 0.00 0.50 0.00 0.00 46.19 47.85 2a45 s LEU 60 CO 0.67 -0.27 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.95 2a45 s TYR 60 N 2.55 1.87 0.00 5.38 5.04 -0.37 -4.57 117.35 127.26 2a45 s TYR 60 Ca 0.06 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 2a45 s TYR 60 Cb -0.14 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.05 2a45 s TYR 60 CO -0.14 0.13 0.00 -2.30 -1.34 0.00 0.00 175.55 171.90 2a45 n PRO 60 N -0.58 0.00 -0.39 4.97 -0.02 -1.26 -0.20 135.00 137.52 2a45 n PRO 60 Ca -0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 2a45 n PRO 60 Cb 0.64 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.21 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 0.96 -3.13 6.00 8.01 -1.26 -4.91 117.44 123.11 2a45 n TRP 60 Ca 0.00 -0.73 -0.02 0.00 -1.31 0.00 0.00 57.50 55.44 2a45 n TRP 60 Cb 0.00 -0.41 0.00 0.00 -2.01 0.00 0.00 31.31 28.89 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 0.02 -6.75 -3.52 -0.99 2.03 0.72 -4.98 116.55 103.08 2a45 n ASP 60 Ca 0.17 0.53 -0.15 0.00 0.52 0.00 0.00 54.79 55.86 2a45 n ASP 60 Cb 0.80 -2.21 -0.12 0.00 -0.72 0.00 0.00 41.12 38.87 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 -1.20 0.20 -0.38 -0.67 2.20 -0.97 -4.83 119.74 114.09 2a45 s LYS 60 Ca 0.02 0.42 0.12 0.00 -0.36 0.00 0.00 55.97 56.17 2a45 s LYS 60 Cb -0.00 -0.74 0.35 0.00 -1.51 0.00 0.00 37.83 35.93 2a45 s LYS 60 CO 0.18 -0.54 0.79 -1.71 -0.36 0.00 0.00 175.35 173.71 2a45 n ASN 60 N 5.34 0.52 -4.76 1.43 2.85 -1.26 -1.23 115.26 118.15 2a45 n ASN 60 Ca -0.05 -3.06 -0.40 0.00 -0.11 0.00 0.00 54.58 50.95 2a45 n ASN 60 Cb 0.50 -0.34 -0.04 0.00 1.24 0.00 0.00 39.78 41.13 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 -2.17 3.56 0.46 1.20 0.08 -0.73 -5.02 117.98 115.37 2a45 s PHE 60 Ca 0.37 1.69 0.03 0.00 0.12 0.00 0.00 56.93 59.15 2a45 s PHE 60 Cb 0.35 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2a45 s PHE 60 CO -0.07 -0.59 0.01 0.95 -0.10 0.00 0.00 175.22 175.42 2a45 s THR 60 N -1.15 1.41 0.11 0.64 -4.23 -1.26 -4.81 115.64 106.35 2a45 s THR 60 Ca 0.45 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 2a45 s THR 60 Cb -0.32 -2.48 -0.08 0.00 1.34 0.00 0.00 72.50 70.96 2a45 s THR 60 CO 0.41 0.00 1.44 -0.33 -0.54 0.00 0.00 174.62 175.61 2a45 h GLU 61 N 1.55 -0.21 -0.72 3.99 3.07 -1.92 0.23 114.58 120.57 2a45 h GLU 61 Ca -0.43 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2a45 h GLU 61 Cb 1.29 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2a45 h GLU 61 CO 0.75 -0.14 0.00 0.27 -1.40 0.00 0.00 179.01 178.49 2a45 n ASN 62 N -4.85 0.78 0.00 1.42 2.04 -1.26 -2.22 115.26 111.16 2a45 n ASN 62 Ca -0.01 -1.20 0.00 0.00 -0.44 0.00 0.00 54.58 52.93 2a45 n ASN 62 Cb 0.26 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 2a45 n ASN 62 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2a45 n ASP 63 N 0.27 3.88 -4.35 0.53 10.43 0.71 -5.02 116.55 123.00 2a45 n ASP 63 Ca 0.00 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.16 2a45 n ASP 63 Cb 0.17 0.33 -0.10 0.00 1.84 0.00 0.00 41.12 43.36 2a45 n ASP 63 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 2a45 s LEU 64 N -3.65 2.53 0.15 0.64 0.05 -0.61 -1.83 118.68 115.96 2a45 s LEU 64 Ca 0.00 -0.99 -0.06 0.00 0.05 0.00 0.00 54.13 53.13 2a45 s LEU 64 Cb 0.00 -0.74 -0.02 0.00 -2.05 0.00 0.00 46.19 43.38 2a45 s LEU 64 CO 0.00 -0.12 0.20 -0.76 -0.55 0.00 0.00 176.35 175.11 2a45 s LEU 65 N -3.20 1.28 -0.06 1.48 1.43 0.30 -4.77 118.68 115.15 2a45 s LEU 65 Ca 0.22 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2a45 s LEU 65 Cb -0.02 0.88 0.00 0.00 0.03 0.00 0.00 46.19 47.07 2a45 s LEU 65 CO 0.07 -0.82 -0.17 0.68 0.23 0.00 0.00 176.35 176.34 2a45 s VAL 66 N -3.99 1.45 -0.46 -1.59 -7.23 -1.26 0.34 120.40 107.68 2a45 s VAL 66 Ca 0.18 -0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 59.49 2a45 s VAL 66 Cb 0.05 -1.27 0.06 0.00 0.56 0.00 0.00 36.38 35.78 2a45 s VAL 66 CO -0.00 0.42 0.38 -0.13 -0.31 0.00 0.00 175.10 175.46 2a45 s ARG 67 N 0.22 2.99 0.41 4.82 0.52 0.54 -3.21 118.95 125.23 2a45 s ARG 67 Ca -0.08 -1.23 -0.24 0.00 -0.52 0.00 0.00 55.73 53.66 2a45 s ARG 67 Cb -0.13 -4.09 -0.09 0.00 0.52 0.00 0.00 34.95 31.16 2a45 s ARG 67 CO 0.03 -0.96 1.06 0.42 0.02 0.00 0.00 175.30 175.87 2a45 s ILE 68 N 1.71 3.66 -0.89 1.52 1.09 0.61 -2.16 121.20 126.75 2a45 s ILE 68 Ca 0.05 1.25 -0.06 0.00 -1.10 0.00 0.00 60.65 60.79 2a45 s ILE 68 Cb -0.23 -3.63 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 2a45 s ILE 68 CO 0.08 -0.01 0.71 0.61 -0.10 0.00 0.00 174.94 176.22 2a45 n GLY 69 N 0.30 -1.20 3.69 6.18 0.00 -1.21 -2.84 105.19 110.12 2a45 n GLY 69 Ca 0.06 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.41 2.45 0.00 1.61 1.02 -1.26 -4.61 119.74 114.54 2a45 s LYS 70 Ca 0.15 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2a45 s LYS 70 Cb -0.05 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2a45 s LYS 70 CO 0.82 0.35 0.00 1.58 -0.92 0.00 0.00 175.35 177.18 2a45 n HIS 71 N -0.98 0.00 -3.70 3.18 -0.00 -1.26 -4.80 115.22 107.66 2a45 n HIS 71 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.29 2a45 n HIS 71 Cb 0.59 0.03 -0.07 0.00 -0.00 0.00 0.00 29.99 30.54 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 -4.39 6.37 0.41 0.26 1.04 -1.25 0.18 113.70 116.32 2a45 s SER 72 Ca 0.00 0.43 0.13 0.00 0.48 0.00 0.00 55.95 56.99 2a45 s SER 72 Cb 0.00 -2.12 0.87 0.00 0.10 0.00 0.00 66.02 64.87 2a45 s SER 72 CO 0.00 0.24 1.92 -0.09 0.98 0.00 0.00 173.24 176.29 2a45 h ARG 73 N 6.03 0.03 0.00 4.02 2.43 -1.26 -3.41 114.38 122.22 2a45 h ARG 73 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2a45 h ARG 73 Cb 1.18 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2a45 h ARG 73 CO 0.70 0.27 0.00 0.25 -1.51 0.00 0.00 179.97 179.68 2a45 n THR 74 N -4.23 0.00 -1.59 0.20 -2.24 -1.26 -5.02 114.28 100.14 2a45 n THR 74 Ca -0.02 0.00 -0.56 0.00 -2.27 0.00 0.00 64.05 61.20 2a45 n THR 74 Cb 0.31 -0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.76 0.75 -0.68 -0.78 1.85 -1.26 -4.92 116.66 110.86 2a45 n ARG 75 Ca 0.00 0.27 -0.32 0.00 -1.00 0.00 0.00 57.85 56.80 2a45 n ARG 75 Cb 0.00 -1.87 0.17 0.00 -1.05 0.00 0.00 32.46 29.71 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 2.63 -1.40 -3.25 2.89 9.36 -1.26 -4.65 117.16 121.48 2a45 n TYR 76 Ca 0.20 0.14 -0.25 0.00 3.32 0.00 0.00 57.90 61.32 2a45 n TYR 76 Cb 0.14 -1.62 -0.08 0.00 -0.63 0.00 0.00 39.34 37.16 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 -2.19 0.76 -1.38 2.98 1.02 -1.26 -5.00 120.64 115.56 2a45 n GLU 77 Ca 0.02 -3.33 -0.45 0.00 -0.02 0.00 0.00 57.16 53.38 2a45 n GLU 77 Cb 0.60 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.63 0.16 0.00 3.49 1.74 -1.26 0.30 116.66 122.72 2a45 n ARG 77 Ca 0.23 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 2a45 n ARG 77 Cb 0.51 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 2a45 n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a45 n ASN 78 N 1.98 0.00 -0.07 0.55 5.03 -1.26 -4.22 115.26 117.27 2a45 n ASN 78 Ca 0.14 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.51 2a45 n ASN 78 Cb 0.33 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.03 2a45 n ASN 78 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2a45 h ILE 79 N 0.00 0.68 -2.02 2.41 1.08 -1.90 -3.46 117.51 114.30 2a45 h ILE 79 Ca 0.00 -1.58 -0.62 0.00 -0.39 0.00 0.00 64.86 62.27 2a45 h ILE 79 Cb 0.00 1.35 0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2a45 h ILE 79 CO 0.00 0.23 1.00 1.21 -0.69 0.00 0.00 178.15 179.90 2a45 n GLU 80 N -4.65 2.04 -4.97 2.37 2.13 0.86 -4.98 120.64 113.43 2a45 n GLU 80 Ca -0.09 0.75 -0.31 0.00 0.66 0.00 0.00 57.16 58.16 2a45 n GLU 80 Cb 0.29 -2.55 -0.17 0.00 0.27 0.00 0.00 31.44 29.28 2a45 n GLU 80 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2a45 s LYS 81 N 3.32 2.90 -0.27 5.31 3.01 -1.13 -4.87 119.74 128.01 2a45 s LYS 81 Ca 0.90 -0.82 0.01 0.00 -1.01 0.00 0.00 55.97 55.05 2a45 s LYS 81 Cb -0.74 -2.25 0.08 0.00 -1.01 0.00 0.00 37.83 33.91 2a45 s LYS 81 CO 0.50 0.10 0.01 0.42 0.51 0.00 0.00 175.35 176.89 2a45 s ILE 82 N 0.54 1.40 0.26 2.17 1.01 -1.26 0.23 121.20 125.54 2a45 s ILE 82 Ca -0.15 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.18 2a45 s ILE 82 Cb -0.17 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2a45 s ILE 82 CO 0.05 -0.33 0.29 -0.44 0.00 0.00 0.00 174.94 174.51 2a45 s SER 83 N 1.41 5.88 0.58 3.58 0.01 -1.20 -4.98 113.70 118.98 2a45 s SER 83 Ca 0.01 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2a45 s SER 83 Cb -0.18 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2a45 s SER 83 CO -0.11 -0.09 0.00 0.80 0.41 0.00 0.00 173.24 174.25 2a45 n MET 84 N -1.31 0.32 -4.45 12.44 1.56 -1.26 -3.98 117.12 120.43 2a45 n MET 84 Ca -0.08 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.12 2a45 n MET 84 Cb 0.58 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.86 2a45 n MET 84 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2a45 s LEU 85 N 0.00 1.90 0.00 -0.89 1.43 -1.26 -3.21 118.68 116.65 2a45 s LEU 85 Ca 0.00 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.42 2a45 s LEU 85 Cb 0.00 0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.29 2a45 s LEU 85 CO 0.00 -0.95 0.00 1.21 0.23 0.00 0.00 176.35 176.84 2a45 n GLU 86 N -0.81 0.00 -4.04 1.70 4.07 -1.09 -2.73 120.64 117.74 2a45 n GLU 86 Ca -0.02 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.91 2a45 n GLU 86 Cb 0.64 0.00 -0.15 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 0.37 0.44 5.31 2.36 -1.26 -4.90 119.74 122.06 2a45 s LYS 87 Ca 0.00 -0.06 -0.22 0.00 -2.55 0.00 0.00 55.97 53.15 2a45 s LYS 87 Cb 0.00 -0.44 -0.10 0.00 -1.05 0.00 0.00 37.83 36.25 2a45 s LYS 87 CO 0.00 -0.02 1.00 0.42 1.55 0.00 0.00 175.35 178.30 2a45 s ILE 88 N 0.44 4.04 -0.47 5.43 1.01 -1.26 -2.81 121.20 127.58 2a45 s ILE 88 Ca -0.05 1.35 0.03 0.00 0.00 0.00 0.00 60.65 61.98 2a45 s ILE 88 Cb -0.08 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 38.96 2a45 s ILE 88 CO -0.01 -0.20 0.30 -0.31 0.00 0.00 0.00 174.94 174.72 2a45 s TYR 89 N -1.98 1.93 0.64 3.97 2.02 -0.10 -4.97 117.35 118.87 2a45 s TYR 89 Ca 0.62 -2.48 -0.10 0.00 -0.37 0.00 0.00 57.07 54.75 2a45 s TYR 89 Cb -0.15 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2a45 s TYR 89 CO 0.19 -0.76 1.01 -1.50 -1.57 0.00 0.00 175.55 172.92 2a45 s ILE 90 N 0.05 3.92 -0.32 2.71 -1.16 -1.26 -1.70 121.20 123.44 2a45 s ILE 90 Ca 0.22 0.44 -0.19 0.00 -0.51 0.00 0.00 60.65 60.61 2a45 s ILE 90 Cb -0.15 -3.59 -0.01 0.00 0.61 0.00 0.00 42.46 39.32 2a45 s ILE 90 CO -0.07 -0.73 0.57 -2.28 -2.81 0.00 0.00 174.94 169.62 2a45 s HIS 91 N -3.18 3.20 0.34 3.50 5.65 -1.26 -4.92 115.29 118.62 2a45 s HIS 91 Ca 0.56 0.41 0.12 0.00 0.25 0.00 0.00 55.06 56.39 2a45 s HIS 91 Cb -0.11 -2.94 0.93 0.00 -1.18 0.00 0.00 32.58 29.28 2a45 s HIS 91 CO 0.50 -0.49 1.75 -1.00 -0.65 0.00 0.00 174.74 174.85 2a45 h PRO 92 N 8.30 0.53 -0.69 2.88 0.13 -1.96 0.54 132.00 141.73 2a45 h PRO 92 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2a45 h PRO 92 Cb 1.12 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2a45 h PRO 92 CO 0.78 0.35 0.00 0.54 -0.23 0.00 0.00 178.00 179.44 2a45 n ARG 93 N -4.80 0.66 -2.77 0.86 5.12 -1.26 -4.72 116.66 109.75 2a45 n ARG 93 Ca 0.26 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.75 2a45 n ARG 93 Cb 0.76 -1.32 -0.04 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 -0.93 2.71 -0.38 -1.55 5.04 0.19 -4.68 117.35 117.75 2a45 s TYR 94 Ca 0.00 0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.60 2a45 s TYR 94 Cb 0.00 -4.22 0.08 0.00 0.35 0.00 0.00 41.96 38.18 2a45 s TYR 94 CO 0.00 -1.47 0.16 1.21 -1.34 0.00 0.00 175.55 174.11 2a45 s ASN 95 N 3.00 5.27 0.03 4.32 2.47 -0.95 -4.90 114.94 124.19 2a45 s ASN 95 Ca 0.32 -1.65 0.12 0.00 0.42 0.00 0.00 52.86 52.07 2a45 s ASN 95 Cb -0.12 -1.84 -0.20 0.00 -1.45 0.00 0.00 41.25 37.64 2a45 s ASN 95 CO 0.19 -0.46 0.89 4.11 -3.72 0.00 0.00 177.10 178.11 2a45 h TRP 96 N 8.14 0.00 0.00 0.43 5.08 -1.91 -0.38 115.95 127.31 2a45 h TRP 96 Ca -0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.79 2a45 h TRP 96 Cb 1.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2a45 h TRP 96 CO 0.59 0.93 0.00 0.54 -1.28 0.00 0.00 178.44 179.21 2a45 n ARG 97 N -3.12 0.00 0.19 0.12 5.12 -1.26 -3.38 116.66 114.33 2a45 n ARG 97 Ca -0.10 0.82 -0.09 0.00 -1.93 0.00 0.00 57.85 56.55 2a45 n ARG 97 Cb 0.98 -1.26 -0.04 0.00 -1.16 0.00 0.00 32.46 30.98 2a45 n ARG 97 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2a45 h GLU 97 N 0.00 -0.53 -0.07 5.56 4.81 -2.02 -3.45 114.58 118.89 2a45 h GLU 97 Ca 0.00 0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.05 2a45 h GLU 97 Cb 0.00 0.12 -0.17 0.00 0.63 0.00 0.00 28.75 29.33 2a45 h GLU 97 CO 0.00 -0.34 -0.39 0.27 -0.73 0.00 0.00 179.01 177.82 2a45 n ASN 98 N -5.14 -1.51 -2.29 1.04 6.94 -1.22 -4.89 115.26 108.19 2a45 n ASN 98 Ca -0.07 -2.39 -0.12 0.00 -0.02 0.00 0.00 54.58 51.98 2a45 n ASN 98 Cb 0.22 0.80 -0.01 0.00 -2.36 0.00 0.00 39.78 38.43 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 -0.85 -1.06 -4.63 -4.53 4.77 -0.66 -4.79 117.00 105.24 2a45 n LEU 99 Ca -0.06 0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 2a45 n LEU 99 Cb 0.86 -2.06 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 2a45 n LEU 99 CO -0.08 -0.19 1.69 -0.67 -1.33 0.00 0.00 177.39 176.81 2a45 n ASP 100 N -1.59 3.61 -0.63 -1.43 2.03 -0.24 -0.30 116.55 117.99 2a45 n ASP 100 Ca -0.14 0.63 -0.06 0.00 0.52 0.00 0.00 54.79 55.75 2a45 n ASP 100 Cb 0.58 -1.50 -0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2a45 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a45 n ARG 101 N 7.88 -0.44 -1.70 -0.67 1.74 -1.26 -2.24 116.66 119.96 2a45 n ARG 101 Ca 0.25 0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 57.37 2a45 n ARG 101 Cb 0.39 -4.08 -0.05 0.00 -1.02 0.00 0.00 32.46 27.70 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 -2.75 4.37 -0.26 0.55 2.15 0.59 -4.70 116.67 116.62 2a45 s ASP 102 Ca 0.00 0.17 -0.32 0.00 0.43 0.00 0.00 52.55 52.84 2a45 s ASP 102 Cb 0.00 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.25 2a45 s ASP 102 CO 0.00 -3.30 1.30 -0.51 -0.17 0.00 0.00 175.17 172.48 2a45 s ILE 103 N 12.80 0.00 -0.21 4.11 -1.16 -1.26 -4.08 121.20 131.41 2a45 s ILE 103 Ca 0.87 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 60.76 2a45 s ILE 103 Cb -0.13 -1.00 0.07 0.00 0.61 0.00 0.00 42.46 42.01 2a45 s ILE 103 CO 0.12 0.00 0.67 0.00 -2.81 0.00 0.00 174.94 172.91 2a45 s ALA 104 N -1.44 -1.67 0.25 1.50 0.00 1.13 -3.87 121.76 117.65 2a45 s ALA 104 Ca 0.08 1.75 0.02 0.00 0.00 0.00 0.00 51.96 53.82 2a45 s ALA 104 Cb -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 2a45 s ALA 104 CO -0.05 -0.33 0.40 -1.17 0.00 0.00 0.00 175.76 174.61 2a45 s LEU 105 N 0.00 4.23 -0.06 0.00 0.20 -0.69 0.50 118.68 122.86 2a45 s LEU 105 Ca -0.03 0.24 -0.22 0.00 0.69 0.00 0.00 54.13 54.81 2a45 s LEU 105 Cb -0.04 -3.04 0.05 0.00 -0.43 0.00 0.00 46.19 42.73 2a45 s LEU 105 CO 0.03 -0.10 0.51 -0.04 -0.29 0.00 0.00 176.35 176.45 2a45 s MET 106 N -3.84 0.83 0.35 1.98 -1.94 -0.35 -0.93 119.30 115.42 2a45 s MET 106 Ca 0.36 0.15 0.07 0.00 -1.71 0.00 0.00 55.69 54.56 2a45 s MET 106 Cb -0.10 0.39 -0.01 0.00 2.01 0.00 0.00 34.83 37.12 2a45 s MET 106 CO 0.31 -0.23 0.46 0.21 -0.01 0.00 0.00 175.02 175.76 2a45 s LYS 107 N -1.03 2.99 -0.12 2.03 2.20 -1.12 -0.54 119.74 124.15 2a45 s LYS 107 Ca -0.10 -1.11 0.01 0.00 -0.36 0.00 0.00 55.97 54.40 2a45 s LYS 107 Cb -0.03 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 2a45 s LYS 107 CO 0.06 -0.01 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.38 2a45 s LEU 108 N -4.18 2.61 0.26 5.43 1.43 -0.71 -2.69 118.68 120.83 2a45 s LEU 108 Ca 0.47 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2a45 s LEU 108 Cb -0.09 -1.58 0.54 0.00 0.03 0.00 0.00 46.19 45.09 2a45 s LEU 108 CO 0.31 0.17 1.65 0.07 0.23 0.00 0.00 176.35 178.78 2a45 h LYS 109 N 6.66 0.18 -3.67 1.70 2.10 -1.48 -3.39 116.57 118.67 2a45 h LYS 109 Ca -0.25 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.16 2a45 h LYS 109 Cb 1.22 -0.04 -0.29 0.00 -0.90 0.00 0.00 32.23 32.22 2a45 h LYS 109 CO 0.54 0.12 -0.70 0.21 -2.00 0.00 0.00 179.45 177.61 2a45 s LYS 110 N -6.04 0.01 1.16 0.07 2.47 -1.26 -4.85 119.74 111.30 2a45 s LYS 110 Ca -0.13 0.04 -0.17 0.00 -1.56 0.00 0.00 55.97 54.16 2a45 s LYS 110 Cb 0.23 -0.02 0.25 0.00 -1.46 0.00 0.00 37.83 36.84 2a45 s LYS 110 CO 0.76 -0.02 0.57 -0.35 0.16 0.00 0.00 175.35 176.47 2a45 n PRO 111 N 3.21 -3.24 -4.28 4.03 -0.04 -1.26 -4.78 135.00 128.64 2a45 n PRO 111 Ca -0.14 -0.96 -0.19 0.00 -0.04 0.00 0.00 63.50 62.17 2a45 n PRO 111 Cb 0.59 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.08 0.63 -0.79 0.52 1.01 -0.86 -4.97 120.40 113.87 2a45 s VAL 112 Ca 0.45 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2a45 s VAL 112 Cb -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2a45 s VAL 112 CO 0.38 0.21 1.44 0.00 0.00 0.00 0.00 175.10 177.14 2a45 s ALA 113 N 0.32 2.59 0.09 5.51 0.00 -1.26 -4.68 121.76 124.33 2a45 s ALA 113 Ca -0.04 -1.45 -0.31 0.00 0.00 0.00 0.00 51.96 50.16 2a45 s ALA 113 Cb -0.09 -4.34 -0.10 0.00 0.00 0.00 0.00 23.12 18.59 2a45 s ALA 113 CO 0.00 -3.54 1.88 1.97 0.00 0.00 0.00 175.76 176.08 2a45 n PHE 114 N 10.07 2.59 -3.14 0.00 -1.74 -1.26 -4.79 117.46 119.19 2a45 n PHE 114 Ca 0.14 -0.22 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 2a45 n PHE 114 Cb 0.50 -2.75 0.00 0.00 1.52 0.00 0.00 39.48 38.74 2a45 n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2a45 n SER 115 N 6.25 1.20 -0.05 5.98 3.41 -0.20 -4.86 113.62 125.35 2a45 n SER 115 Ca 0.19 -0.14 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 2a45 n SER 115 Cb 0.38 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.43 0.76 4.04 3.32 -2.03 -0.99 116.42 121.95 2a45 h ASP 116 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a45 h ASP 116 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2a45 h ASP 116 CO 0.00 0.28 -0.97 -1.22 -1.72 0.00 0.00 179.24 175.61 2a45 n TYR 117 N -4.47 0.63 -4.22 4.55 4.01 -1.26 -4.86 117.16 111.54 2a45 n TYR 117 Ca 0.07 0.18 -0.34 0.00 -0.16 0.00 0.00 57.90 57.65 2a45 n TYR 117 Cb 0.23 -0.72 -0.14 0.00 -0.31 0.00 0.00 39.34 38.39 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 -3.28 3.08 -0.23 -0.72 -1.09 -0.38 -4.36 121.20 114.23 2a45 s ILE 118 Ca 0.02 -0.61 -0.27 0.00 -2.23 0.00 0.00 60.65 57.56 2a45 s ILE 118 Cb 0.12 -2.36 0.11 0.00 -1.58 0.00 0.00 42.46 38.75 2a45 s ILE 118 CO 0.78 0.47 0.93 -2.28 -1.23 0.00 0.00 174.94 173.61 2a45 s HIS 119 N 1.08 -0.54 0.12 3.97 2.46 0.38 -1.04 115.29 121.73 2a45 s HIS 119 Ca 0.00 1.20 -0.15 0.00 0.47 0.00 0.00 55.06 56.58 2a45 s HIS 119 Cb -0.15 0.37 -0.07 0.00 -0.13 0.00 0.00 32.58 32.60 2a45 s HIS 119 CO -0.02 -0.32 0.55 -1.25 -2.47 0.00 0.00 174.74 171.22 2a45 s PRO 120 N -0.17 4.03 0.78 2.88 0.04 -1.26 -2.04 135.00 139.26 2a45 s PRO 120 Ca 0.00 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.47 2a45 s PRO 120 Cb -0.04 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.55 2a45 s PRO 120 CO -0.01 0.53 1.08 0.54 0.04 0.00 0.00 177.00 179.18 2a45 s VAL 121 N -1.36 3.31 0.22 -0.36 0.11 -0.84 -4.92 120.40 116.55 2a45 s VAL 121 Ca 0.35 0.43 -0.21 0.00 -2.93 0.00 0.00 61.98 59.62 2a45 s VAL 121 Cb -0.16 -3.10 -0.08 0.00 -1.53 0.00 0.00 36.38 31.51 2a45 s VAL 121 CO 0.19 -0.56 0.75 0.00 -3.33 0.00 0.00 175.10 172.15 2a45 s LEU 123 N -1.81 4.52 0.36 0.00 2.34 -1.26 -4.26 118.68 118.57 2a45 s LEU 123 Ca 0.42 1.54 -0.27 0.00 0.06 0.00 0.00 54.13 55.88 2a45 s LEU 123 Cb -0.18 -3.31 -0.12 0.00 -0.56 0.00 0.00 46.19 42.02 2a45 s LEU 123 CO 0.22 0.18 1.17 -0.81 -1.06 0.00 0.00 176.35 176.04 2a45 n PRO 124 N 1.39 1.77 -4.16 1.48 -0.04 -1.26 -5.03 135.00 129.16 2a45 n PRO 124 Ca -0.06 0.62 -0.29 0.00 -0.04 0.00 0.00 63.50 63.74 2a45 n PRO 124 Cb 0.50 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.70 2a45 n PRO 124 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2a45 s ASP 125 N -0.49 4.89 0.23 3.54 -1.08 -1.26 -4.98 116.67 117.53 2a45 s ASP 125 Ca 0.58 -0.26 -0.12 0.00 -0.52 0.00 0.00 52.55 52.24 2a45 s ASP 125 Cb -0.59 -1.11 0.31 0.00 -1.46 0.00 0.00 42.92 40.08 2a45 s ASP 125 CO 0.60 0.15 1.61 0.08 0.52 0.00 0.00 175.17 178.12 2a45 h ARG 126 N 3.22 0.00 0.00 4.34 -0.00 -2.00 -3.00 114.38 116.94 2a45 h ARG 126 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 2a45 h ARG 126 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2a45 h ARG 126 CO 0.58 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.94 2a45 n GLU 127 N -5.49 0.00 0.00 0.08 1.02 -1.26 -3.11 120.64 111.89 2a45 n GLU 127 Ca 0.10 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2a45 n GLU 127 Cb 0.39 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 2a45 n GLU 127 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2a45 n THR 128 N -0.60 0.00 0.00 2.62 -1.04 -1.14 -0.44 114.28 113.68 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 0.14 0.00 -0.14 2.41 0.00 -1.18 -1.08 120.51 120.65 2a45 n ALA 129 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2a45 n ALA 129 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.77 -0.49 0.00 0.87 -0.98 -2.86 113.55 109.32 2a45 h SER 129 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2a45 h SER 129 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2a45 h SER 129 CO 0.00 -0.08 0.00 0.18 -0.53 0.00 0.00 176.83 176.40 2a45 n LEU 129 N -3.79 2.65 -3.79 2.23 4.32 -0.24 -4.66 117.00 113.72 2a45 n LEU 129 Ca 0.01 -1.33 -0.41 0.00 -0.02 0.00 0.00 56.01 54.25 2a45 n LEU 129 Cb 0.09 -0.33 0.01 0.00 -1.62 0.00 0.00 43.42 41.57 2a45 n LEU 129 CO -0.05 0.66 1.25 0.18 -1.22 0.00 0.00 177.39 178.21 2a45 n LEU 130 N 0.94 6.82 -4.47 2.23 4.77 -1.08 -4.99 117.00 121.22 2a45 n LEU 130 Ca 0.17 -5.32 -0.31 0.00 -0.03 0.00 0.00 56.01 50.52 2a45 n LEU 130 Cb 0.42 -1.20 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 2a45 n LEU 130 CO 0.11 1.89 -0.48 -1.10 -1.33 0.00 0.00 177.39 176.48 2a45 s GLN 131 N -3.57 2.13 1.00 3.23 1.11 -1.26 -5.02 119.66 117.28 2a45 s GLN 131 Ca 0.35 -0.95 -0.17 0.00 0.01 0.00 0.00 55.36 54.60 2a45 s GLN 131 Cb 0.12 -2.22 -0.05 0.00 -1.01 0.00 0.00 33.01 29.85 2a45 s GLN 131 CO -0.01 0.55 -0.34 0.00 0.01 0.00 0.00 175.29 175.49 2a45 n ALA 132 N 1.55 -4.29 0.00 6.09 0.00 -1.26 -1.80 120.51 120.80 2a45 n ALA 132 Ca -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2a45 n ALA 132 Cb 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 2.54 0.45 3.63 0.00 0.00 0.26 -4.71 105.19 107.35 2a45 n GLY 133 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.10 1.82 0.24 1.61 1.51 -0.74 -4.19 117.35 116.50 2a45 s TYR 134 Ca 0.00 0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 56.11 2a45 s TYR 134 Cb 0.00 -4.01 -0.09 0.00 -0.11 0.00 0.00 41.96 37.75 2a45 s TYR 134 CO 0.00 -3.61 1.06 0.15 -1.11 0.00 0.00 175.55 172.04 2a45 s LYS 135 N 4.82 4.68 0.05 -0.62 1.02 -1.26 0.10 119.74 128.54 2a45 s LYS 135 Ca 0.79 1.70 -0.00 0.00 0.02 0.00 0.00 55.97 58.48 2a45 s LYS 135 Cb -0.30 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2a45 s LYS 135 CO 0.32 0.25 -0.04 0.20 -0.92 0.00 0.00 175.35 175.17 2a45 s GLY 136 N -0.75 0.50 0.12 -3.33 0.00 0.21 -4.82 107.32 99.24 2a45 s GLY 136 Ca 0.45 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 44.07 2a45 s GLY 136 CO 0.37 -1.26 -0.03 -1.60 0.00 0.00 0.00 173.10 170.58 2a45 s ARG 137 N -3.60 2.36 0.23 2.90 3.52 -0.77 0.20 118.95 123.79 2a45 s ARG 137 Ca 0.05 -0.99 -0.20 0.00 -0.13 0.00 0.00 55.73 54.46 2a45 s ARG 137 Cb 0.05 -2.40 0.03 0.00 -1.56 0.00 0.00 34.95 31.07 2a45 s ARG 137 CO -0.08 0.50 0.63 0.08 -0.81 0.00 0.00 175.30 175.62 2a45 s VAL 138 N -1.42 0.01 -0.16 7.11 1.01 -0.22 0.18 120.40 126.91 2a45 s VAL 138 Ca 0.25 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2a45 s VAL 138 Cb -0.11 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.67 2a45 s VAL 138 CO 0.17 -0.03 0.82 0.42 0.00 0.00 0.00 175.10 176.48 2a45 s THR 139 N -3.88 0.00 -0.29 3.92 -4.23 -1.15 -2.77 115.64 107.24 2a45 s THR 139 Ca 0.09 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.39 2a45 s THR 139 Cb -0.03 -1.00 0.14 0.00 1.34 0.00 0.00 72.50 72.95 2a45 s THR 139 CO 0.00 0.00 1.07 -0.83 -0.54 0.00 0.00 174.62 174.32 2a45 s GLY 140 N -0.60 -0.00 0.05 3.99 0.00 -1.25 -3.88 107.32 105.62 2a45 s GLY 140 Ca -0.04 3.01 0.03 0.00 0.00 0.00 0.00 44.72 47.71 2a45 s GLY 140 CO 0.03 2.17 1.04 0.79 0.00 0.00 0.00 173.10 177.14 2a45 n TRP 141 N 2.74 0.10 -0.63 1.90 8.01 -1.26 -4.39 117.44 123.90 2a45 n TRP 141 Ca -0.15 0.05 -0.21 0.00 -1.31 0.00 0.00 57.50 55.89 2a45 n TRP 141 Cb 0.57 -0.53 0.01 0.00 -2.01 0.00 0.00 31.31 29.34 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 -1.43 -1.99 0.00 6.99 0.00 -1.26 -4.50 105.19 103.00 2a45 n GLY 142 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.52 0.00 -2.69 1.61 3.02 0.39 -3.17 115.26 115.94 2a45 n ASN 143 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.52 2a45 n ASN 143 Cb 0.27 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.65 0.00 3.41 -0.00 -1.25 -1.20 117.00 116.31 2a45 n LEU 144 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 56.01 53.43 2a45 n LEU 144 Cb 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 43.42 44.36 2a45 n LEU 144 CO 0.00 1.76 0.00 2.29 -0.00 0.00 0.00 177.39 181.44 2a45 n LYS 145 N 0.36 0.00 -3.08 1.47 2.85 -1.26 -4.86 118.16 113.65 2a45 n LYS 145 Ca -0.02 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.01 2a45 n LYS 145 Cb 0.73 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.08 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 0.00 2.06 -0.10 -1.58 -0.58 -1.26 -4.43 120.64 114.74 2a45 n GLU 146 Ca 0.00 -4.10 -0.03 0.00 -0.42 0.00 0.00 57.16 52.61 2a45 n GLU 146 Cb 0.00 -1.96 -0.02 0.00 -0.57 0.00 0.00 31.44 28.89 2a45 n GLU 146 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2a45 n THR 147 N 0.06 -0.17 0.00 2.62 -2.24 -1.26 -2.25 114.28 111.03 2a45 n THR 147 Ca 0.28 0.93 0.00 0.00 -2.27 0.00 0.00 64.05 62.98 2a45 n THR 147 Cb 0.53 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 -3.60 0.00 -4.46 4.78 4.27 -1.26 -4.67 117.44 112.51 2a45 n TRP 148 Ca 0.00 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.38 2a45 n TRP 148 Cb 0.06 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.93 2a45 n TRP 148 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 2a45 s THR 149 N -1.99 0.48 -0.37 -1.67 -1.32 -0.96 -5.08 115.64 104.74 2a45 s THR 149 Ca 0.00 -2.00 -0.43 0.00 -1.21 0.00 0.00 61.69 58.05 2a45 s THR 149 Cb 0.00 -2.40 -0.17 0.00 -1.51 0.00 0.00 72.50 68.42 2a45 s THR 149 CO 0.00 0.00 1.70 0.00 -2.21 0.00 0.00 174.62 174.11 2a45 n ALA 149 N -0.82 -0.63 -3.57 11.08 0.00 -1.26 -4.92 120.51 120.39 2a45 n ALA 149 Ca -0.03 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 2a45 n ALA 149 Cb 0.65 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 3.39 -0.64 0.00 0.00 0.01 -1.26 -4.96 114.94 111.48 2a45 s ASN 149 Ca 1.01 0.97 0.00 0.00 -0.71 0.00 0.00 52.86 54.13 2a45 s ASN 149 Cb -1.24 1.46 0.00 0.00 0.41 0.00 0.00 41.25 41.88 2a45 s ASN 149 CO 0.72 -0.15 0.00 0.52 -1.51 0.00 0.00 177.10 176.69 2a45 n VAL 149 N 4.31 0.00 0.00 1.60 0.31 -1.26 -4.97 118.33 118.32 2a45 n VAL 149 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2a45 n VAL 149 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 5.00 3.72 3.24 2.92 0.00 -1.26 -4.76 105.19 114.05 2a45 n GLY 149 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 1.03 0.00 1.61 3.01 -1.26 -5.13 119.74 119.01 2a45 s LYS 149 Ca 0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 55.97 53.51 2a45 s LYS 149 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 37.83 36.30 2a45 s LYS 149 CO 0.00 0.04 0.00 0.41 0.51 0.00 0.00 175.35 176.31 2a45 n GLY 150 N -0.18 0.75 3.58 -3.33 0.00 -1.26 -4.90 105.19 99.84 2a45 n GLY 150 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.31 1.96 0.90 1.61 1.11 -1.26 -3.80 119.66 119.86 2a45 s GLN 151 Ca 0.00 -1.76 -0.15 0.00 0.01 0.00 0.00 55.36 53.46 2a45 s GLN 151 Cb 0.00 -1.87 0.21 0.00 -1.01 0.00 0.00 33.01 30.34 2a45 s GLN 151 CO 0.00 0.21 1.09 -0.35 0.01 0.00 0.00 175.29 176.24 2a45 n PRO 152 N -0.83 -1.60 0.00 2.91 -0.04 -1.26 -5.05 135.00 129.12 2a45 n PRO 152 Ca -0.05 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 2a45 n PRO 152 Cb 0.62 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2a45 n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2a45 n SER 153 N -3.98 3.62 -4.24 3.54 2.88 -1.26 -4.76 113.62 109.42 2a45 n SER 153 Ca 0.14 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.42 2a45 n SER 153 Cb 0.50 0.17 -0.15 0.00 -0.75 0.00 0.00 64.21 63.99 2a45 n SER 153 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2a45 s VAL 154 N -1.82 1.64 0.27 2.46 1.01 -1.25 -0.80 120.40 121.92 2a45 s VAL 154 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 2a45 s VAL 154 Cb 0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 36.38 34.84 2a45 s VAL 154 CO 0.00 0.30 0.23 -0.11 0.00 0.00 0.00 175.10 175.52 2a45 n LEU 155 N 2.13 -1.84 -4.42 3.92 7.94 0.47 -4.67 117.00 120.52 2a45 n LEU 155 Ca -0.16 0.79 -0.32 0.00 -1.11 0.00 0.00 56.01 55.21 2a45 n LEU 155 Cb 0.53 -0.76 -0.14 0.00 0.53 0.00 0.00 43.42 43.58 2a45 n LEU 155 CO 0.23 -3.10 -0.49 -1.10 -1.11 0.00 0.00 177.39 171.83 2a45 s GLN 156 N -0.84 2.41 -0.02 1.96 -1.52 -1.26 -2.01 119.66 118.38 2a45 s GLN 156 Ca 0.51 -0.77 -0.02 0.00 -1.95 0.00 0.00 55.36 53.14 2a45 s GLN 156 Cb -0.64 -2.28 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 2a45 s GLN 156 CO 0.50 0.59 0.13 0.14 -0.25 0.00 0.00 175.29 176.40 2a45 s VAL 157 N -0.66 5.10 -0.06 1.09 -7.23 -1.22 -3.97 120.40 113.44 2a45 s VAL 157 Ca 0.10 -0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2a45 s VAL 157 Cb -0.11 -3.34 0.03 0.00 0.56 0.00 0.00 36.38 33.52 2a45 s VAL 157 CO 0.00 0.37 -0.00 0.54 -0.31 0.00 0.00 175.10 175.70 2a45 s VAL 158 N -1.23 0.33 -0.46 1.32 0.11 -1.11 -3.78 120.40 115.58 2a45 s VAL 158 Ca 0.24 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 2a45 s VAL 158 Cb -0.12 -0.47 0.12 0.00 -1.53 0.00 0.00 36.38 34.38 2a45 s VAL 158 CO 0.15 0.23 0.20 0.54 -3.33 0.00 0.00 175.10 172.89 2a45 s ASN 159 N 1.71 4.39 0.07 3.54 2.20 -1.25 -1.05 114.94 124.55 2a45 s ASN 159 Ca 0.01 -2.73 0.07 0.00 -0.94 0.00 0.00 52.86 49.27 2a45 s ASN 159 Cb -0.13 -1.58 -0.03 0.00 -2.00 0.00 0.00 41.25 37.51 2a45 s ASN 159 CO -0.04 -0.28 -0.19 -1.48 -2.94 0.00 0.00 177.10 172.17 2a45 s LEU 160 N 0.12 2.23 0.97 3.54 0.05 0.54 -4.72 118.68 121.39 2a45 s LEU 160 Ca 0.15 -0.58 -0.11 0.00 0.05 0.00 0.00 54.13 53.64 2a45 s LEU 160 Cb -0.24 -0.84 0.17 0.00 -2.05 0.00 0.00 46.19 43.23 2a45 s LEU 160 CO -0.03 0.08 1.09 -2.16 -0.55 0.00 0.00 176.35 174.78 2a45 s PRO 161 N -1.49 0.67 0.38 1.48 0.04 -1.24 0.65 135.00 135.48 2a45 s PRO 161 Ca 0.05 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.11 2a45 s PRO 161 Cb -0.09 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2a45 s PRO 161 CO 0.03 -2.71 0.65 0.42 0.04 0.00 0.00 177.00 175.43 2a45 s ILE 162 N -2.72 4.97 -0.05 0.56 1.01 0.28 -3.16 121.20 122.09 2a45 s ILE 162 Ca 0.66 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.39 2a45 s ILE 162 Cb -0.21 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.46 2a45 s ILE 162 CO 0.59 -0.56 -0.13 -0.69 0.00 0.00 0.00 174.94 174.15 2a45 s VAL 163 N -2.37 1.13 0.18 2.92 1.01 -1.26 0.89 120.40 122.89 2a45 s VAL 163 Ca 0.45 -0.50 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 2a45 s VAL 163 Cb -0.10 -1.01 -0.14 0.00 0.00 0.00 0.00 36.38 35.13 2a45 s VAL 163 CO 0.36 0.35 1.54 -1.84 0.00 0.00 0.00 175.10 175.51 2a45 n GLU 164 N 3.59 2.11 -0.29 2.72 0.00 -1.26 -4.74 120.64 122.77 2a45 n GLU 164 Ca -0.21 0.76 0.01 0.00 0.00 0.00 0.00 57.16 57.72 2a45 n GLU 164 Cb 0.52 -2.51 0.06 0.00 0.00 0.00 0.00 31.44 29.52 2a45 n GLU 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2a45 n ARG 165 N 3.12 -0.14 -0.25 3.44 1.74 -1.26 -0.85 116.66 122.46 2a45 n ARG 165 Ca 0.16 1.21 0.05 0.00 -0.77 0.00 0.00 57.85 58.49 2a45 n ARG 165 Cb 0.29 -1.80 0.18 0.00 -1.02 0.00 0.00 32.46 30.12 2a45 n ARG 165 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2a45 h PRO 166 N 0.00 0.44 0.08 5.56 0.11 -1.98 0.68 132.00 136.88 2a45 h PRO 166 Ca 0.31 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.40 2a45 h PRO 166 Cb 0.51 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2a45 h PRO 166 CO -0.79 0.29 -0.10 0.28 -0.21 0.00 0.00 178.00 177.48 2a45 h VAL 167 N 0.45 0.77 -0.97 3.15 2.07 -1.35 0.22 116.25 120.59 2a45 h VAL 167 Ca 0.41 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.00 2a45 h VAL 167 Cb 0.60 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2a45 h VAL 167 CO -0.39 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.83 2a45 h LYS 169 N 1.10 -0.73 0.00 0.00 1.63 0.97 -3.07 116.57 116.48 2a45 h LYS 169 Ca 0.43 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.28 2a45 h LYS 169 Cb 0.23 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2a45 h LYS 169 CO -0.18 -0.45 0.00 0.22 -3.45 0.00 0.00 179.45 175.59 2a45 h ASP 170 N -0.84 0.00 -0.29 4.20 -0.00 -0.78 -2.73 116.42 115.98 2a45 h ASP 170 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 2a45 h ASP 170 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.94 2a45 h ASP 170 CO 0.13 0.00 0.00 -1.54 -0.00 0.00 0.00 179.24 177.83 2a45 n SER 171 N -2.90 1.64 -3.92 2.28 3.41 -0.57 -4.91 113.62 108.66 2a45 n SER 171 Ca 0.01 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 2a45 n SER 171 Cb 0.28 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 2a45 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2a45 s THR 172 N -1.61 0.12 -1.02 6.66 -1.32 -1.03 -4.81 115.64 112.62 2a45 s THR 172 Ca 0.20 -1.01 0.18 0.00 -1.21 0.00 0.00 61.69 59.84 2a45 s THR 172 Cb 0.11 -0.80 0.70 0.00 -1.51 0.00 0.00 72.50 70.99 2a45 s THR 172 CO 0.13 -0.56 1.61 -1.14 -2.21 0.00 0.00 174.62 172.45 2a45 n ARG 173 N 0.90 3.71 -5.15 7.08 3.00 -1.26 -4.92 116.66 120.02 2a45 n ARG 173 Ca -0.20 -2.86 -0.32 0.00 -0.00 0.00 0.00 57.85 54.47 2a45 n ARG 173 Cb 0.58 -1.88 -0.16 0.00 0.00 0.00 0.00 32.46 31.00 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 -1.90 2.26 -0.14 5.15 1.01 -1.26 -5.07 121.20 121.25 2a45 s ILE 174 Ca 0.49 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 2a45 s ILE 174 Cb 0.32 -1.87 -0.14 0.00 0.01 0.00 0.00 42.46 40.78 2a45 s ILE 174 CO 0.23 0.56 0.91 -1.14 0.00 0.00 0.00 174.94 175.49 2a45 n ARG 175 N 3.34 0.00 -3.26 2.79 0.63 -1.26 -4.92 116.66 113.98 2a45 n ARG 175 Ca -0.18 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.42 2a45 n ARG 175 Cb 0.53 -1.07 -0.06 0.00 0.45 0.00 0.00 32.46 32.31 2a45 n ARG 175 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2a45 s ILE 176 N 0.81 4.79 0.43 5.15 -1.09 -1.26 -4.99 121.20 125.04 2a45 s ILE 176 Ca 0.69 0.76 0.04 0.00 -2.23 0.00 0.00 60.65 59.91 2a45 s ILE 176 Cb -0.97 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.23 2a45 s ILE 176 CO 0.47 -0.10 0.03 -0.89 -1.23 0.00 0.00 174.94 173.22 2a45 s THR 177 N -1.87 1.44 -0.44 2.92 2.01 -1.26 -5.02 115.64 113.42 2a45 s THR 177 Ca 0.50 -2.00 0.23 0.00 0.31 0.00 0.00 61.69 60.73 2a45 s THR 177 Cb -0.11 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 2a45 s THR 177 CO 0.19 0.00 1.04 0.47 -0.69 0.00 0.00 174.62 175.64 2a45 n ASP 178 N -1.05 0.65 -0.03 3.53 9.92 -1.26 -3.86 116.55 124.47 2a45 n ASP 178 Ca -0.09 0.06 -0.21 0.00 -0.53 0.00 0.00 54.79 54.02 2a45 n ASP 178 Cb 0.67 0.65 -0.13 0.00 -0.64 0.00 0.00 41.12 41.67 2a45 n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2a45 n ASN 179 N -2.26 2.09 -4.68 -2.24 3.02 -1.26 -4.94 115.26 105.00 2a45 n ASN 179 Ca 0.01 0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.39 2a45 n ASN 179 Cb 0.49 -0.77 0.15 0.00 -0.61 0.00 0.00 39.78 39.04 2a45 n ASN 179 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2a45 s MET 180 N -2.55 1.12 -0.30 3.52 1.75 -1.25 -2.96 119.30 118.63 2a45 s MET 180 Ca -0.25 1.27 -0.18 0.00 -1.25 0.00 0.00 55.69 55.28 2a45 s MET 180 Cb 0.07 -1.76 0.21 0.00 2.84 0.00 0.00 34.83 36.20 2a45 s MET 180 CO 0.73 -2.47 1.34 -0.59 -0.65 0.00 0.00 175.02 173.38 2a45 s PHE 181 N -2.73 -0.01 0.00 4.11 -0.12 -1.16 -4.71 117.98 113.36 2a45 s PHE 181 Ca 0.65 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.54 2a45 s PHE 181 Cb -0.21 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.29 2a45 s PHE 181 CO 0.58 -0.00 0.00 0.00 -0.05 0.00 0.00 175.22 175.75 2a45 n ALA 183 N -3.00 0.00 -2.00 0.00 0.00 -0.94 -4.36 120.51 110.21 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 -0.77 1.96 3.03 0.00 0.00 -1.19 -3.68 105.19 104.53 2a45 n GLY 184 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 2a45 n GLY 184 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a45 s TYR 184 N 1.94 -1.26 0.25 1.61 6.14 -1.26 -3.61 117.35 121.16 2a45 s TYR 184 Ca 0.00 -0.19 -0.06 0.00 0.64 0.00 0.00 57.07 57.47 2a45 s TYR 184 Cb 0.00 0.09 -0.05 0.00 0.42 0.00 0.00 41.96 42.42 2a45 s TYR 184 CO 0.00 -1.12 -0.16 1.63 0.64 0.00 0.00 175.55 176.54 2a45 n LYS 185 N 4.19 0.00 0.00 4.97 4.01 -1.26 -4.68 118.16 125.39 2a45 n LYS 185 Ca 0.12 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.94 2a45 n LYS 185 Cb 0.53 -0.34 0.10 0.00 -0.51 0.00 0.00 35.03 34.82 2a45 n LYS 185 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2a45 n PRO 186 N 0.67 0.21 -2.74 1.97 -0.02 -1.26 -2.99 135.00 130.85 2a45 n PRO 186 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.44 2a45 n PRO 186 Cb 0.17 -1.27 0.04 0.00 -0.02 0.00 0.00 33.50 32.43 2a45 n PRO 186 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2a45 n ASP 186 N -0.77 1.66 0.00 2.55 9.92 -1.26 -4.87 116.55 123.78 2a45 n ASP 186 Ca 0.03 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.89 2a45 n ASP 186 Cb 0.01 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 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 -0.37 0.64 0.00 -1.24 1.02 -1.16 -5.11 120.64 114.42 2a45 n GLU 186 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2a45 n GLU 186 Cb 0.81 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 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 1.53 2.94 3.55 0.62 0.00 -1.26 -5.06 105.19 107.51 2a45 n GLY 186 Ca 0.00 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 3.23 0.00 1.61 1.02 -1.26 -5.01 119.74 119.32 2a45 s LYS 186 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2a45 s LYS 186 Cb 0.00 -4.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 2a45 s LYS 186 CO 0.00 -2.10 0.00 0.54 -0.92 0.00 0.00 175.35 172.87 2a45 n ARG 187 N 9.26 1.58 -0.44 1.68 1.74 -1.26 -4.61 116.66 124.61 2a45 n ARG 187 Ca 0.04 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 2a45 n ARG 187 Cb 0.49 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.92 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 2.87 -3.08 0.00 -0.13 0.00 -1.26 -4.84 105.19 98.75 2a45 n GLY 188 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.03 0.00 -4.56 1.61 2.03 -1.04 -4.71 116.55 107.85 2a45 n ASP 189 Ca -0.01 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.01 2a45 n ASP 189 Cb 0.15 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.29 0.00 -1.67 0.00 -1.26 0.28 121.76 117.39 2a45 s ALA 190 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2a45 s ALA 190 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2a45 s ALA 190 CO 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 175.76 172.33 2a45 n GLU 192 N 0.00 2.07 0.00 0.00 -0.58 -1.26 -2.14 120.64 118.73 2a45 n GLU 192 Ca 0.00 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 2a45 n GLU 192 Cb 0.00 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.41 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 2.85 1.57 0.11 0.62 0.00 -1.26 -0.46 105.19 108.61 2a45 n GLY 193 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 0.45 -4.11 1.61 8.00 -0.91 -4.03 116.55 117.56 2a45 n ASP 194 Ca 0.00 0.67 -0.36 0.00 0.71 0.00 0.00 54.79 55.81 2a45 n ASP 194 Cb 0.00 -0.74 0.09 0.00 -0.02 0.00 0.00 41.12 40.44 2a45 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2a45 n SER 195 N -2.06 -2.87 0.00 -2.24 7.64 -1.26 -2.85 113.62 109.98 2a45 n SER 195 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2a45 n SER 195 Cb 0.09 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2a45 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a45 n GLY 196 N 2.92 1.39 0.96 0.23 0.00 -1.22 -0.89 105.19 108.59 2a45 n GLY 196 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -2.65 3.11 -0.02 0.00 -1.13 -3.22 105.19 99.28 2a45 n GLY 197 Ca 0.00 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.67 2.65 -1.07 1.61 0.04 -1.25 -4.17 135.00 129.14 2a45 s PRO 198 Ca 0.19 -0.72 -0.19 0.00 0.04 0.00 0.00 61.00 60.33 2a45 s PRO 198 Cb -0.02 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.43 2a45 s PRO 198 CO 0.15 -0.05 1.38 0.12 0.04 0.00 0.00 177.00 178.65 2a45 s PHE 199 N 0.92 2.95 0.57 0.56 2.19 0.28 -2.94 117.98 122.51 2a45 s PHE 199 Ca -0.06 -1.39 -0.15 0.00 0.33 0.00 0.00 56.93 55.66 2a45 s PHE 199 Cb -0.15 -4.50 -0.05 0.00 -1.31 0.00 0.00 43.02 37.01 2a45 s PHE 199 CO -0.02 -1.67 1.02 0.14 1.83 0.00 0.00 175.22 176.52 2a45 s VAL 200 N 3.46 4.27 -0.30 3.12 -7.23 0.49 0.27 120.40 124.49 2a45 s VAL 200 Ca 0.42 1.00 -0.09 0.00 -1.81 0.00 0.00 61.98 61.50 2a45 s VAL 200 Cb -0.01 -3.60 0.15 0.00 0.56 0.00 0.00 36.38 33.48 2a45 s VAL 200 CO -0.05 -0.71 0.70 -0.04 -0.31 0.00 0.00 175.10 174.69 2a45 s MET 201 N -4.32 0.52 -0.10 4.82 -1.94 1.72 -1.84 119.30 118.16 2a45 s MET 201 Ca 0.60 1.22 -0.29 0.00 -1.71 0.00 0.00 55.69 55.51 2a45 s MET 201 Cb -0.12 0.72 -0.01 0.00 2.01 0.00 0.00 34.83 37.42 2a45 s MET 201 CO 0.39 -0.27 0.97 0.21 -0.01 0.00 0.00 175.02 176.31 2a45 s LYS 202 N 2.83 4.42 0.07 2.03 2.20 -1.26 0.33 119.74 130.35 2a45 s LYS 202 Ca 0.00 1.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.64 2a45 s LYS 202 Cb -0.12 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 2a45 s LYS 202 CO -0.19 -0.29 1.33 0.45 -0.36 0.00 0.00 175.35 176.29 2a45 s SER 203 N 1.09 6.91 -0.00 1.43 0.15 1.76 -4.86 113.70 120.18 2a45 s SER 203 Ca 0.47 2.18 -0.25 0.00 0.70 0.00 0.00 55.95 59.05 2a45 s SER 203 Cb -0.18 -2.58 -0.17 0.00 -1.71 0.00 0.00 66.02 61.38 2a45 s SER 203 CO 0.18 -0.61 1.22 1.55 1.20 0.00 0.00 173.24 176.78 2a45 h PRO 204 N 7.01 -0.26 -1.77 5.44 0.13 -1.94 1.65 132.00 142.26 2a45 h PRO 204 Ca -0.41 0.02 0.52 0.00 -0.87 0.00 0.00 66.00 65.26 2a45 h PRO 204 Cb 1.20 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 2a45 h PRO 204 CO 0.86 0.09 1.26 0.74 -0.23 0.00 0.00 178.00 180.72 2a45 h PHE 204 N -0.67 0.07 0.00 1.56 0.04 -1.96 -2.26 116.94 113.72 2a45 h PHE 204 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2a45 h PHE 204 Cb 0.48 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2a45 h PHE 204 CO 0.04 -0.03 -0.15 0.27 -0.60 0.00 0.00 178.31 177.84 2a45 n ASN 204 N -4.08 0.00 -2.06 2.17 2.04 -1.20 -4.98 115.26 107.15 2a45 n ASN 204 Ca 0.41 -1.30 -0.13 0.00 -0.44 0.00 0.00 54.58 53.12 2a45 n ASN 204 Cb 1.83 -0.06 -0.02 0.00 -2.53 0.00 0.00 39.78 39.00 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 0.00 -3.75 -4.83 0.53 6.94 0.56 -4.92 115.26 109.78 2a45 n ASN 205 Ca 0.00 0.23 -0.35 0.00 -0.02 0.00 0.00 54.58 54.44 2a45 n ASN 205 Cb 0.56 -3.29 -0.06 0.00 -2.36 0.00 0.00 39.78 34.63 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 -4.34 4.08 0.27 -3.83 1.81 -0.96 -4.65 118.95 111.33 2a45 s ARG 206 Ca 0.00 0.64 -0.16 0.00 -1.72 0.00 0.00 55.73 54.49 2a45 s ARG 206 Cb 0.00 -2.88 -0.08 0.00 -0.45 0.00 0.00 34.95 31.54 2a45 s ARG 206 CO 0.00 0.43 0.71 -1.58 -0.68 0.00 0.00 175.30 174.17 2a45 s TRP 207 N -1.52 3.49 -0.10 -0.53 0.52 -1.26 0.48 118.94 120.01 2a45 s TRP 207 Ca 0.41 1.24 -0.04 0.00 0.02 0.00 0.00 56.10 57.73 2a45 s TRP 207 Cb -0.15 -2.53 0.05 0.00 -1.15 0.00 0.00 33.47 29.69 2a45 s TRP 207 CO 0.20 0.21 0.20 0.71 0.02 0.00 0.00 176.95 178.29 2a45 s TYR 208 N -1.78 -0.28 -0.40 -1.98 1.51 0.99 -2.52 117.35 112.88 2a45 s TYR 208 Ca 0.49 0.75 -0.26 0.00 -1.01 0.00 0.00 57.07 57.04 2a45 s TYR 208 Cb -0.13 -0.14 0.02 0.00 -0.11 0.00 0.00 41.96 41.61 2a45 s TYR 208 CO 0.19 -0.29 0.97 -1.14 -1.11 0.00 0.00 175.55 174.17 2a45 s GLN 209 N 2.16 3.76 -0.21 -0.62 0.74 -1.25 0.48 119.66 124.71 2a45 s GLN 209 Ca 0.00 0.51 0.14 0.00 0.05 0.00 0.00 55.36 56.07 2a45 s GLN 209 Cb -0.12 -3.84 0.49 0.00 1.10 0.00 0.00 33.01 30.63 2a45 s GLN 209 CO -0.07 -1.08 1.40 -1.33 -0.55 0.00 0.00 175.29 173.66 2a45 n MET 210 N 7.04 2.27 -3.53 1.67 2.81 0.78 -4.81 117.12 123.36 2a45 n MET 210 Ca 0.08 -2.94 -0.10 0.00 -1.81 0.00 0.00 57.70 52.93 2a45 n MET 210 Cb 0.48 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 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 -2.31 -0.42 -0.23 3.03 0.00 -1.12 -4.16 107.32 102.11 2a45 s GLY 211 Ca 0.42 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.49 2a45 s GLY 211 CO 0.04 0.60 -0.06 -0.42 0.00 0.00 0.00 173.10 173.27 2a45 s ILE 212 N -2.34 1.54 -0.92 0.90 1.01 -1.02 -0.56 121.20 119.82 2a45 s ILE 212 Ca 0.01 -1.21 -0.23 0.00 0.00 0.00 0.00 60.65 59.23 2a45 s ILE 212 Cb -0.01 -1.79 -0.24 0.00 0.01 0.00 0.00 42.46 40.44 2a45 s ILE 212 CO -0.04 -0.08 2.46 0.52 0.00 0.00 0.00 174.94 177.81 2a45 n VAL 213 N 4.67 -0.01 -0.02 2.92 0.31 -1.26 0.99 118.33 125.93 2a45 n VAL 213 Ca -0.12 -0.30 -0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2a45 n VAL 213 Cb 0.44 -0.73 -0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 12.62 0.00 -1.74 4.52 0.87 -1.04 -3.23 113.55 125.56 2a45 h SER 214 Ca -0.04 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2a45 h SER 214 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2a45 h SER 214 CO 1.41 0.15 -0.01 -2.67 -0.53 0.00 0.00 176.83 175.19 2a45 n TRP 215 N -2.83 -0.64 -3.58 2.24 4.27 -0.98 -4.92 117.44 111.01 2a45 n TRP 215 Ca -0.00 -0.25 0.02 0.00 -3.89 0.00 0.00 57.50 53.38 2a45 n TRP 215 Cb 0.01 0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 29.97 2a45 n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 2a45 s GLY 216 N -1.24 0.51 -0.86 -1.67 0.00 -1.26 -0.27 107.32 102.54 2a45 s GLY 216 Ca 0.03 3.73 -0.22 0.00 0.00 0.00 0.00 44.72 48.27 2a45 s GLY 216 CO 0.02 2.85 1.93 1.18 0.00 0.00 0.00 173.10 179.08 2a45 n GLU 217 N 3.38 1.59 0.00 2.90 1.02 -1.26 -4.74 120.64 123.53 2a45 n GLU 217 Ca -0.16 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 2a45 n GLU 217 Cb 0.56 -3.05 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2a45 n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a45 n GLY 219 N 4.69 -1.30 2.72 0.62 0.00 -1.26 -4.90 105.19 105.75 2a45 n GLY 219 Ca 0.49 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 4.93 -6.82 -4.31 0.00 2.03 -1.26 -4.81 116.55 106.32 2a45 n ASP 221 Ca -0.04 0.04 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 2a45 n ASP 221 Cb 0.43 -3.81 -0.15 0.00 -0.72 0.00 0.00 41.12 36.87 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 -2.92 3.30 -0.15 -0.67 0.52 -1.26 -4.81 118.95 112.96 2a45 s ARG 221 Ca 0.22 -0.71 -0.38 0.00 -0.52 0.00 0.00 55.73 54.34 2a45 s ARG 221 Cb -0.04 -2.70 -0.15 0.00 0.52 0.00 0.00 34.95 32.58 2a45 s ARG 221 CO 0.81 0.04 1.70 -0.25 0.02 0.00 0.00 175.30 177.62 2a45 n ASP 222 N 4.03 2.55 0.00 0.23 8.00 -1.26 0.85 116.55 130.94 2a45 n ASP 222 Ca -0.19 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.37 2a45 n ASP 222 Cb 0.52 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 3.93 0.37 3.41 0.44 0.00 -1.26 -4.93 105.19 107.15 2a45 n GLY 223 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.93 3.08 0.03 1.61 3.01 0.25 -4.69 119.74 122.10 2a45 s LYS 224 Ca 0.00 -0.69 0.06 0.00 -1.01 0.00 0.00 55.97 54.33 2a45 s LYS 224 Cb 0.00 -2.54 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 2a45 s LYS 224 CO 0.00 0.36 -0.17 0.71 0.51 0.00 0.00 175.35 176.76 2a45 s TYR 225 N -0.02 1.49 0.56 3.18 2.02 -1.26 -4.07 117.35 119.24 2a45 s TYR 225 Ca -0.03 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.14 2a45 s TYR 225 Cb -0.14 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 2a45 s TYR 225 CO 0.04 0.05 1.09 0.20 -1.57 0.00 0.00 175.55 175.36 2a45 s GLY 226 N -1.04 2.43 0.08 0.71 0.00 -1.24 -4.61 107.32 103.65 2a45 s GLY 226 Ca 0.05 0.65 0.09 0.00 0.00 0.00 0.00 44.72 45.51 2a45 s GLY 226 CO 0.01 1.00 -0.21 -1.36 0.00 0.00 0.00 173.10 172.54 2a45 s PHE 227 N -2.04 2.48 0.04 1.90 0.40 0.63 -2.21 117.98 119.18 2a45 s PHE 227 Ca 0.69 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.76 2a45 s PHE 227 Cb -0.20 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 2a45 s PHE 227 CO 0.30 0.29 -0.11 0.71 0.70 0.00 0.00 175.22 177.11 2a45 s TYR 228 N -1.00 0.96 1.00 0.36 1.51 0.48 -0.39 117.35 120.27 2a45 s TYR 228 Ca 0.15 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 2a45 s TYR 228 Cb -0.10 -0.57 0.10 0.00 -0.11 0.00 0.00 41.96 41.28 2a45 s TYR 228 CO 0.07 -0.00 0.56 2.41 -1.11 0.00 0.00 175.55 177.48 2a45 n THR 229 N 1.83 0.00 -3.72 -0.71 -1.04 0.28 -3.00 114.28 107.92 2a45 n THR 229 Ca -0.19 -0.20 -0.35 0.00 -2.04 0.00 0.00 64.05 61.27 2a45 n THR 229 Cb 0.55 -0.74 -0.09 0.00 -1.82 0.00 0.00 70.33 68.23 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 -2.42 3.58 0.00 -1.42 2.46 -1.16 -2.42 115.29 113.91 2a45 s HIS 230 Ca 0.60 -2.91 0.00 0.00 0.47 0.00 0.00 55.06 53.22 2a45 s HIS 230 Cb -0.20 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 29.10 2a45 s HIS 230 CO 0.65 -0.77 0.19 1.55 -2.47 0.00 0.00 174.74 173.89 2a45 n VAL 231 N 2.90 0.00 -0.05 0.89 3.14 -1.26 -1.01 118.33 122.93 2a45 n VAL 231 Ca 0.14 0.69 -0.01 0.00 -2.96 0.00 0.00 64.34 62.19 2a45 n VAL 231 Cb 0.37 -1.28 -0.01 0.00 -1.06 0.00 0.00 33.84 31.86 2a45 n VAL 231 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 2a45 n PHE 232 N -0.34 -0.06 0.13 1.45 7.35 -1.26 0.54 117.46 125.27 2a45 n PHE 232 Ca 0.00 0.16 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 2a45 n PHE 232 Cb 0.00 -0.36 -0.05 0.00 0.35 0.00 0.00 39.48 39.42 2a45 n PHE 232 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2a45 h ARG 233 N 0.00 -0.47 -0.38 -4.13 2.43 -1.97 0.52 114.38 110.38 2a45 h ARG 233 Ca 0.02 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2a45 h ARG 233 Cb 0.05 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2a45 h ARG 233 CO -0.12 -0.31 0.33 1.25 -1.51 0.00 0.00 179.97 179.60 2a45 h LEU 234 N -0.49 0.00 -0.71 3.80 7.12 0.22 -3.13 115.31 122.13 2a45 h LEU 234 Ca -0.03 0.00 0.24 0.00 0.13 0.00 0.00 57.88 58.22 2a45 h LEU 234 Cb 0.43 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.44 2a45 h LEU 234 CO -0.06 0.00 0.18 1.17 -0.13 0.00 0.00 178.44 179.60 2a45 n LYS 235 N -4.09 -0.05 0.00 1.25 4.81 2.14 -2.22 118.16 120.01 2a45 n LYS 235 Ca 0.06 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 2a45 n LYS 235 Cb 0.51 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.85 2a45 n LYS 235 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2a45 n LYS 236 N -4.80 0.00 0.00 1.64 5.02 -1.18 -2.68 118.16 116.16 2a45 n LYS 236 Ca 0.21 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 2a45 n LYS 236 Cb 0.70 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2a45 n LYS 236 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2a45 n TRP 237 N -2.15 0.00 -0.19 2.13 -0.00 -0.94 -1.52 117.44 114.77 2a45 n TRP 237 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 2a45 n TRP 237 Cb 0.00 -0.30 -0.03 0.00 -0.00 0.00 0.00 31.31 30.98 2a45 n TRP 237 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 2a45 n ILE 238 N -2.52 -0.29 0.10 5.87 5.41 -1.09 0.34 119.36 127.17 2a45 n ILE 238 Ca 0.00 1.08 -0.13 0.00 1.00 0.00 0.00 62.75 64.70 2a45 n ILE 238 Cb 0.00 -1.36 -0.08 0.00 -0.71 0.00 0.00 39.64 37.49 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 -0.19 -1.21 0.38 7.50 -1.16 -1.30 115.11 119.13 2a45 h GLN 239 Ca 0.10 0.01 0.37 0.00 0.50 0.00 0.00 58.65 59.63 2a45 h GLN 239 Cb 0.21 0.04 -0.12 0.00 0.05 0.00 0.00 27.48 27.66 2a45 h GLN 239 CO -0.43 -0.02 0.77 0.87 -1.50 0.00 0.00 178.83 178.53 2a45 h LYS 240 N -0.33 0.19 -0.24 1.46 1.57 0.38 1.09 116.57 120.69 2a45 h LYS 240 Ca -0.02 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2a45 h LYS 240 Cb 0.26 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2a45 h LYS 240 CO 0.03 0.12 -0.21 -0.39 -0.57 0.00 0.00 179.45 178.44 2a45 h VAL 241 N 0.19 1.32 -0.59 0.50 -1.51 -0.22 -3.09 116.25 112.85 2a45 h VAL 241 Ca 0.74 -1.36 -0.04 0.00 -1.23 0.00 0.00 66.70 64.81 2a45 h VAL 241 Cb 2.18 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 32.98 2a45 h VAL 241 CO -0.39 0.42 0.20 0.16 -1.23 0.00 0.00 177.57 176.74 2a45 h ILE 242 N 0.27 1.24 0.00 7.19 3.07 0.16 -2.34 117.51 127.09 2a45 h ILE 242 Ca 0.04 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2a45 h ILE 242 Cb 0.75 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2a45 h ILE 242 CO 0.05 0.30 0.04 0.47 -1.05 0.00 0.00 178.15 177.96 2a45 n ASP 243 N -4.43 0.47 -0.03 2.16 9.92 0.29 -2.32 116.55 122.60 2a45 n ASP 243 Ca 0.03 0.70 -0.00 0.00 -0.53 0.00 0.00 54.79 54.99 2a45 n ASP 243 Cb 0.19 -0.75 -0.08 0.00 -0.64 0.00 0.00 41.12 39.84 2a45 n ASP 243 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2a45 n GLN 244 N -2.14 1.40 0.00 -1.24 -0.06 -0.92 -4.97 117.38 109.46 2a45 n GLN 244 Ca -0.01 -0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 2a45 n GLN 244 Cb 0.07 -1.25 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 2a45 n GLN 244 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2a45 n PHE 245 N -2.13 0.00 0.00 3.69 3.72 -0.98 -5.14 117.46 116.62 2a45 n PHE 245 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2a45 n PHE 245 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 2a45 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12