#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h92 s ILE 4 N 0.00 0.32 -0.04 0.00 2.07 -1.26 -4.82 121.20 117.46 2h92 s ILE 4 Ca 0.00 -1.32 0.07 0.00 -1.41 0.00 0.00 60.65 57.99 2h92 s ILE 4 Cb 0.00 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.72 2h92 s ILE 4 CO 0.00 -0.65 -0.25 0.20 -1.91 0.00 0.00 174.94 172.33 2h92 s ASN 5 N -2.07 3.13 -0.15 4.50 0.02 -1.26 -0.30 114.94 118.80 2h92 s ASN 5 Ca -0.05 -0.48 0.02 0.00 -1.02 0.00 0.00 52.86 51.33 2h92 s ASN 5 Cb -0.03 -0.68 0.02 0.00 0.02 0.00 0.00 41.25 40.58 2h92 s ASN 5 CO -0.03 0.28 -0.20 -0.63 0.02 0.00 0.00 177.10 176.53 2h92 s ILE 6 N -0.34 2.00 -0.17 0.60 1.01 -0.13 -1.79 121.20 122.37 2h92 s ILE 6 Ca 0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 2h92 s ILE 6 Cb -0.12 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2h92 s ILE 6 CO 0.02 0.53 0.27 0.00 0.00 0.00 0.00 174.94 175.76 2h92 s ALA 7 N 1.06 3.61 -0.38 9.38 0.00 0.11 -1.03 121.76 134.51 2h92 s ALA 7 Ca -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2h92 s ALA 7 Cb -0.14 -2.36 0.11 0.00 0.00 0.00 0.00 23.12 20.73 2h92 s ALA 7 CO -0.07 0.09 0.13 -1.17 0.00 0.00 0.00 175.76 174.74 2h92 s LEU 8 N 0.48 3.56 0.16 0.00 2.96 0.08 -0.00 118.68 125.90 2h92 s LEU 8 Ca 0.15 -2.23 0.04 0.00 -0.22 0.00 0.00 54.13 51.87 2h92 s LEU 8 Cb -0.13 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2h92 s LEU 8 CO 0.03 -0.34 0.16 -1.81 -1.32 0.00 0.00 176.35 173.06 2h92 s ASP 9 N 0.81 5.65 0.00 3.68 -0.00 -0.25 -1.23 116.67 125.33 2h92 s ASP 9 Ca 0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 52.55 52.61 2h92 s ASP 9 Cb -0.21 -1.52 0.00 0.00 -0.00 0.00 0.00 42.92 41.19 2h92 s ASP 9 CO -0.10 0.07 0.00 0.61 -0.00 0.00 0.00 175.17 175.75 2h92 n GLY 10 N -0.32 1.13 3.16 0.21 0.00 -1.02 -0.50 105.19 107.85 2h92 n GLY 10 Ca -0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 2h92 n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2h92 n PRO 11 N -0.38 -2.53 -2.18 1.61 -0.04 -1.26 -4.70 135.00 125.53 2h92 n PRO 11 Ca 0.00 -1.60 -0.38 0.00 -0.04 0.00 0.00 63.50 61.48 2h92 n PRO 11 Cb 0.00 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 2h92 n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h92 s ALA 12 N -3.22 3.05 -1.33 0.55 0.00 -1.26 -3.33 121.76 116.21 2h92 s ALA 12 Ca 0.64 1.04 -0.07 0.00 0.00 0.00 0.00 51.96 53.57 2h92 s ALA 12 Cb -0.05 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2h92 s ALA 12 CO 0.48 -0.74 0.44 0.00 0.00 0.00 0.00 175.76 175.95 2h92 n ALA 13 N -0.30 -0.99 1.00 0.00 0.00 -1.26 -4.85 120.51 114.10 2h92 n ALA 13 Ca 0.06 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.78 2h92 n ALA 13 Cb 0.46 -2.90 0.42 0.00 0.00 0.00 0.00 19.45 17.44 2h92 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h92 n ALA 14 N -3.32 2.97 0.00 0.00 0.00 -1.21 -4.69 120.51 114.25 2h92 n ALA 14 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2h92 n ALA 14 Cb 0.58 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2h92 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h92 n GLY 15 N 1.50 3.11 0.00 0.00 0.00 -1.26 -4.95 105.19 103.58 2h92 n GLY 15 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2h92 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h92 n LYS 16 N -1.60 0.00 -0.36 1.61 5.02 -1.26 -0.46 118.16 121.11 2h92 n LYS 16 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2h92 n LYS 16 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.15 2h92 n LYS 16 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2h92 h SER 17 N 0.00 1.06 0.09 4.39 4.64 -1.96 0.53 113.55 122.30 2h92 h SER 17 Ca 0.00 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2h92 h SER 17 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 2h92 h SER 17 CO 0.00 0.73 -0.04 0.74 -0.87 0.00 0.00 176.83 177.38 2h92 h THR 18 N 1.23 1.07 -0.31 2.95 2.02 -1.20 -1.74 112.91 116.93 2h92 h THR 18 Ca 0.39 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 67.06 2h92 h THR 18 Cb 0.00 1.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 2h92 h THR 18 CO -0.12 0.14 -0.19 0.40 0.37 0.00 0.00 175.52 176.12 2h92 h ILE 19 N -0.38 0.47 -0.10 3.11 1.08 -1.00 -1.63 117.51 119.06 2h92 h ILE 19 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2h92 h ILE 19 Cb 0.32 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2h92 h ILE 19 CO 0.02 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 177.55 2h92 h ALA 20 N 1.04 2.05 -0.03 1.87 0.00 0.19 -1.26 119.26 123.12 2h92 h ALA 20 Ca 0.16 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2h92 h ALA 20 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2h92 h ALA 20 CO -0.40 -0.12 -0.17 -0.22 0.00 0.00 0.00 179.25 178.33 2h92 h LYS 21 N 0.00 0.17 -0.22 0.00 3.64 -0.37 -2.10 116.57 117.69 2h92 h LYS 21 Ca 0.05 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2h92 h LYS 21 Cb 0.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2h92 h LYS 21 CO -0.00 0.81 0.13 0.00 -2.27 0.00 0.00 179.45 178.12 2h92 h ARG 22 N -0.42 0.25 -0.22 1.90 3.08 -1.07 0.27 114.38 118.17 2h92 h ARG 22 Ca -0.01 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2h92 h ARG 22 Cb 0.85 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2h92 h ARG 22 CO 0.04 0.17 -0.10 0.28 -1.07 0.00 0.00 179.97 179.28 2h92 h VAL 23 N 0.26 0.68 -0.75 2.04 2.07 -1.32 0.18 116.25 119.40 2h92 h VAL 23 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 2h92 h VAL 23 Cb -0.00 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2h92 h VAL 23 CO -0.04 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.01 2h92 h ALA 24 N 1.12 1.01 0.34 1.67 0.00 -1.02 -1.52 119.26 120.85 2h92 h ALA 24 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2h92 h ALA 24 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2h92 h ALA 24 CO -0.27 0.22 -0.16 1.03 0.00 0.00 0.00 179.25 180.07 2h92 h SER 25 N 0.88 -0.39 -0.14 0.00 0.87 -0.08 0.60 113.55 115.28 2h92 h SER 25 Ca 0.32 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2h92 h SER 25 Cb 0.09 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2h92 h SER 25 CO -0.14 -0.28 0.10 -0.33 -0.53 0.00 0.00 176.83 175.65 2h92 h GLU 26 N -0.46 0.03 -0.67 2.24 4.39 -0.66 -1.94 114.58 117.51 2h92 h GLU 26 Ca -0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2h92 h GLU 26 Cb 0.35 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2h92 h GLU 26 CO 0.07 0.02 0.00 1.28 -1.16 0.00 0.00 179.01 179.22 2h92 n LEU 27 N -4.50 3.82 -3.89 1.33 4.32 -0.60 -4.94 117.00 112.53 2h92 n LEU 27 Ca 0.00 -1.97 -0.27 0.00 -0.02 0.00 0.00 56.01 53.75 2h92 n LEU 27 Cb 0.21 -0.45 0.01 0.00 -1.62 0.00 0.00 43.42 41.57 2h92 n LEU 27 CO 0.35 0.95 -0.05 -1.20 -1.22 0.00 0.00 177.39 176.22 2h92 n SER 28 N 1.52 -2.35 -4.76 -1.43 7.64 -0.31 -4.98 113.62 108.96 2h92 n SER 28 Ca 0.23 -0.88 -0.32 0.00 1.01 0.00 0.00 58.87 58.92 2h92 n SER 28 Cb 0.60 -3.61 -0.07 0.00 -1.01 0.00 0.00 64.21 60.12 2h92 n SER 28 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2h92 s MET 29 N -6.43 2.17 -0.10 1.43 -1.94 0.20 -5.02 119.30 109.60 2h92 s MET 29 Ca 0.30 -2.32 -0.02 0.00 -1.71 0.00 0.00 55.69 51.93 2h92 s MET 29 Cb -0.15 -1.60 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 2h92 s MET 29 CO 0.85 -0.34 -0.00 0.42 -0.01 0.00 0.00 175.02 175.94 2h92 s ILE 30 N -2.84 4.27 -0.21 2.53 1.01 -0.30 -4.34 121.20 121.31 2h92 s ILE 30 Ca 0.12 -0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 2h92 s ILE 30 Cb 0.02 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2h92 s ILE 30 CO 0.07 0.58 0.42 -0.47 0.00 0.00 0.00 174.94 175.54 2h92 s TYR 31 N -0.60 3.35 -0.22 3.97 5.04 -1.26 -0.05 117.35 127.59 2h92 s TYR 31 Ca 0.10 0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 2h92 s TYR 31 Cb -0.12 -2.57 0.01 0.00 0.35 0.00 0.00 41.96 39.64 2h92 s TYR 31 CO 0.02 -0.06 -0.09 0.08 -1.34 0.00 0.00 175.55 174.16 2h92 s VAL 32 N 1.50 2.84 -0.56 3.14 1.01 -0.53 -4.83 120.40 122.96 2h92 s VAL 32 Ca 0.20 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 2h92 s VAL 32 Cb -0.15 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 33.99 2h92 s VAL 32 CO 0.08 0.35 0.64 -0.62 0.00 0.00 0.00 175.10 175.55 2h92 s ASP 33 N 1.36 6.19 0.46 3.32 3.68 -1.26 -1.93 116.67 128.50 2h92 s ASP 33 Ca 0.03 -1.39 0.26 0.00 2.13 0.00 0.00 52.55 53.58 2h92 s ASP 33 Cb -0.15 -2.28 0.91 0.00 -1.45 0.00 0.00 42.92 39.95 2h92 s ASP 33 CO -0.06 -1.00 1.81 0.71 0.13 0.00 0.00 175.17 176.76 2h92 h THR 34 N 5.90 0.31 -0.83 1.71 1.35 -1.93 -2.85 112.91 116.58 2h92 h THR 34 Ca -0.29 -0.99 0.02 0.00 -0.55 0.00 0.00 66.41 64.59 2h92 h THR 34 Cb 1.09 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 69.24 2h92 h THR 34 CO 1.05 0.14 0.55 1.23 -0.25 0.00 0.00 175.52 178.24 2h92 h GLY 35 N 2.47 1.17 1.36 5.82 0.00 -1.91 -1.40 103.07 110.58 2h92 h GLY 35 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2h92 h GLY 35 CO 0.02 0.40 0.37 0.00 0.00 0.00 0.00 176.54 177.33 2h92 h ALA 36 N 1.49 1.69 0.04 3.60 0.00 -1.92 0.02 119.26 124.19 2h92 h ALA 36 Ca 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2h92 h ALA 36 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2h92 h ALA 36 CO -0.08 0.25 -0.02 0.52 0.00 0.00 0.00 179.25 179.93 2h92 h MET 37 N 0.67 -0.05 -0.46 0.00 2.86 -1.37 -0.07 114.93 116.51 2h92 h MET 37 Ca 0.22 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2h92 h MET 37 Cb 0.06 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2h92 h MET 37 CO -0.06 0.18 0.06 1.88 1.06 0.00 0.00 176.91 180.03 2h92 h TYR 38 N -0.29 0.74 -0.61 -0.22 -1.99 -1.17 -1.80 116.97 111.64 2h92 h TYR 38 Ca -0.01 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 2h92 h TYR 38 Cb 0.26 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 2h92 h TYR 38 CO 0.00 0.67 0.10 0.00 -0.00 0.00 0.00 178.16 178.93 2h92 h ARG 39 N 0.68 1.01 -0.51 4.88 3.08 -0.86 -0.63 114.38 122.04 2h92 h ARG 39 Ca 0.15 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2h92 h ARG 39 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2h92 h ARG 39 CO 0.01 0.95 0.29 0.00 -1.07 0.00 0.00 179.97 180.14 2h92 h ALA 40 N 1.02 0.65 -0.24 0.04 0.00 -0.54 0.17 119.26 120.36 2h92 h ALA 40 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2h92 h ALA 40 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2h92 h ALA 40 CO 0.01 0.16 -0.11 -0.07 0.00 0.00 0.00 179.25 179.24 2h92 h LEU 41 N 0.68 0.37 -0.67 0.00 4.07 -1.14 -1.40 115.31 117.23 2h92 h LEU 41 Ca 0.18 -0.08 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 2h92 h LEU 41 Cb 0.02 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 2h92 h LEU 41 CO -0.03 0.52 -0.27 0.74 -1.08 0.00 0.00 178.44 178.32 2h92 h THR 42 N 0.37 1.28 -0.63 0.22 2.02 -0.32 -0.67 112.91 115.17 2h92 h THR 42 Ca 0.07 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2h92 h THR 42 Cb 0.43 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2h92 h THR 42 CO 0.02 0.46 0.40 0.22 0.37 0.00 0.00 175.52 176.99 2h92 h TYR 43 N 0.64 0.81 -0.56 3.16 3.20 0.18 -0.45 116.97 123.95 2h92 h TYR 43 Ca 0.08 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2h92 h TYR 43 Cb 0.78 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2h92 h TYR 43 CO 0.04 0.53 -0.01 -0.22 -1.64 0.00 0.00 178.16 176.86 2h92 h LYS 44 N 0.85 0.98 -0.36 1.82 1.63 -0.98 -1.69 116.57 118.82 2h92 h LYS 44 Ca 0.23 -0.30 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2h92 h LYS 44 Cb -0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 2h92 h LYS 44 CO -0.05 0.97 0.17 -0.92 -3.45 0.00 0.00 179.45 176.18 2h92 h TYR 45 N 0.90 0.32 -0.55 1.91 3.20 -0.53 0.01 116.97 122.22 2h92 h TYR 45 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 2h92 h TYR 45 Cb 0.54 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2h92 h TYR 45 CO 0.03 0.17 0.05 -0.07 -1.64 0.00 0.00 178.16 176.70 2h92 h LEU 46 N 0.36 0.91 -1.44 2.82 3.38 -0.88 0.59 115.31 121.05 2h92 h LEU 46 Ca 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2h92 h LEU 46 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2h92 h LEU 46 CO -0.11 0.96 0.11 0.50 0.09 0.00 0.00 178.44 179.99 2h92 h LYS 47 N 0.82 0.48 -1.09 1.13 3.64 -0.84 -2.38 116.57 118.33 2h92 h LYS 47 Ca 0.16 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.24 2h92 h LYS 47 Cb 0.47 -0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.06 2h92 h LYS 47 CO 0.02 0.43 0.30 1.28 -2.27 0.00 0.00 179.45 179.21 2h92 n LEU 48 N -4.37 4.93 -3.77 5.20 4.77 -0.05 -4.85 117.00 118.85 2h92 n LEU 48 Ca 0.02 -2.56 -0.27 0.00 -0.03 0.00 0.00 56.01 53.17 2h92 n LEU 48 Cb 0.16 -0.72 0.05 0.00 -2.33 0.00 0.00 43.42 40.58 2h92 n LEU 48 CO 0.37 0.82 0.15 0.59 -1.33 0.00 0.00 177.39 177.99 2h92 n ASN 49 N -0.11 -5.16 -3.84 -1.43 3.02 -0.89 -2.73 115.26 104.11 2h92 n ASN 49 Ca 0.26 -0.69 -0.30 0.00 -0.03 0.00 0.00 54.58 53.83 2h92 n ASN 49 Cb 0.94 -4.37 0.01 0.00 -0.61 0.00 0.00 39.78 35.75 2h92 n ASN 49 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2h92 n LYS 50 N -4.78 -2.14 -1.73 3.52 5.02 0.15 -4.89 118.16 113.31 2h92 n LYS 50 Ca 0.00 0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 56.30 2h92 n LYS 50 Cb 0.55 -4.18 0.03 0.00 -0.02 0.00 0.00 35.03 31.41 2h92 n LYS 50 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2h92 n THR 51 N -4.36 3.30 1.13 -0.18 5.66 -1.10 -4.90 114.28 113.81 2h92 n THR 51 Ca -0.20 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.42 2h92 n THR 51 Cb 0.63 -1.66 0.19 0.00 -1.55 0.00 0.00 70.33 67.94 2h92 n THR 51 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2h92 n GLU 52 N -0.58 1.13 -2.85 1.09 -0.58 -1.26 -4.63 120.64 112.96 2h92 n GLU 52 Ca 0.08 -0.83 -0.44 0.00 -0.42 0.00 0.00 57.16 55.56 2h92 n GLU 52 Cb 0.43 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2h92 n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2h92 n ASP 53 N -0.21 5.31 0.21 1.62 4.64 -1.26 -4.81 116.55 122.06 2h92 n ASP 53 Ca 0.11 -3.05 0.08 0.00 -1.38 0.00 0.00 54.79 50.55 2h92 n ASP 53 Cb 0.42 -1.50 0.46 0.00 -1.04 0.00 0.00 41.12 39.46 2h92 n ASP 53 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 2h92 h PHE 54 N 6.61 0.00 -0.36 -0.67 0.04 -1.99 -1.39 116.94 119.17 2h92 h PHE 54 Ca 0.31 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.99 2h92 h PHE 54 Cb 0.79 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2h92 h PHE 54 CO 1.09 0.28 -0.15 0.00 -0.60 0.00 0.00 178.31 178.93 2h92 h ALA 55 N 1.72 0.50 -0.41 2.45 0.00 -1.94 -1.48 119.26 120.10 2h92 h ALA 55 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2h92 h ALA 55 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2h92 h ALA 55 CO 0.04 0.41 -0.16 -0.22 0.00 0.00 0.00 179.25 179.33 2h92 h LYS 56 N 0.53 0.83 -0.14 0.00 3.64 -1.90 -1.16 116.57 118.37 2h92 h LYS 56 Ca 0.08 -0.34 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2h92 h LYS 56 Cb 0.69 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 2h92 h LYS 56 CO 0.05 0.98 -0.13 1.25 -2.27 0.00 0.00 179.45 179.32 2h92 h LEU 57 N 0.65 -0.41 -0.90 5.20 6.46 -1.12 -1.20 115.31 123.99 2h92 h LEU 57 Ca 0.10 0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 2h92 h LEU 57 Cb 0.70 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 2h92 h LEU 57 CO 0.05 -0.17 -0.24 0.58 -0.62 0.00 0.00 178.44 178.04 2h92 h VAL 58 N -0.15 1.27 -0.56 1.05 2.07 -1.21 -3.01 116.25 115.70 2h92 h VAL 58 Ca 0.09 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 2h92 h VAL 58 Cb 0.29 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2h92 h VAL 58 CO -0.23 0.41 -0.01 -0.78 0.02 0.00 0.00 177.57 176.97 2h92 h ASP 59 N 0.47 0.96 -0.81 0.57 1.82 -0.76 -2.99 116.42 115.69 2h92 h ASP 59 Ca 0.07 -0.27 -0.50 0.00 -0.39 0.00 0.00 57.03 55.94 2h92 h ASP 59 Cb 0.67 -0.26 -0.24 0.00 0.68 0.00 0.00 39.33 40.18 2h92 h ASP 59 CO 0.05 1.02 0.65 0.00 -1.61 0.00 0.00 179.24 179.35 2h92 n GLN 60 N -4.18 2.23 -4.00 0.28 6.02 -0.49 -4.91 117.38 112.33 2h92 n GLN 60 Ca 0.03 -2.58 -0.14 0.00 -0.01 0.00 0.00 57.00 54.30 2h92 n GLN 60 Cb 0.34 -2.01 -0.14 0.00 1.02 0.00 0.00 30.24 29.45 2h92 n GLN 60 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2h92 s THR 61 N -3.44 0.19 -0.03 5.09 2.01 -1.13 -5.01 115.64 113.32 2h92 s THR 61 Ca 0.50 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.43 2h92 s THR 61 Cb 0.40 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.72 2h92 s THR 61 CO 0.03 0.03 -0.24 0.42 -0.69 0.00 0.00 174.62 174.16 2h92 s THR 62 N -0.12 2.21 -0.11 -0.82 -4.23 -1.26 -4.97 115.64 106.33 2h92 s THR 62 Ca 0.00 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 2h92 s THR 62 Cb -0.01 -1.78 0.05 0.00 1.34 0.00 0.00 72.50 72.10 2h92 s THR 62 CO -0.00 0.58 0.24 -0.22 -0.54 0.00 0.00 174.62 174.68 2h92 s LEU 63 N -0.61 0.16 0.04 4.79 0.20 -1.26 -0.38 118.68 121.62 2h92 s LEU 63 Ca 0.10 0.52 0.04 0.00 0.69 0.00 0.00 54.13 55.48 2h92 s LEU 63 Cb -0.10 0.67 -0.02 0.00 -0.43 0.00 0.00 46.19 46.31 2h92 s LEU 63 CO -0.01 -0.19 -0.12 -1.81 -0.29 0.00 0.00 176.35 173.93 2h92 s ASP 64 N 1.71 1.42 -0.16 3.68 -0.00 -0.22 -4.99 116.67 118.10 2h92 s ASP 64 Ca -0.05 -0.47 -0.05 0.00 -0.00 0.00 0.00 52.55 51.98 2h92 s ASP 64 Cb -0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 42.92 42.71 2h92 s ASP 64 CO -0.08 -0.03 0.02 -0.76 -0.00 0.00 0.00 175.17 174.32 2h92 s LEU 65 N -1.22 3.57 0.19 1.23 1.02 -1.26 -0.32 118.68 121.89 2h92 s LEU 65 Ca -0.01 0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.17 2h92 s LEU 65 Cb -0.08 -1.88 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 2h92 s LEU 65 CO 0.01 0.20 -0.00 0.42 0.02 0.00 0.00 176.35 176.99 2h92 s THR 66 N 0.22 0.80 -0.03 5.49 -4.23 0.69 -4.95 115.64 113.62 2h92 s THR 66 Ca 0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2h92 s THR 66 Cb -0.13 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 2h92 s THR 66 CO 0.01 -0.44 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.19 2h92 s TYR 67 N -3.58 1.43 0.00 3.99 1.51 -1.26 0.13 117.35 119.57 2h92 s TYR 67 Ca 0.25 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2h92 s TYR 67 Cb 0.06 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2h92 s TYR 67 CO 0.05 -0.10 0.00 1.63 -1.11 0.00 0.00 175.55 176.03 2h92 n LYS 68 N 3.00 0.62 0.04 -0.62 5.02 -0.40 -4.87 118.16 120.94 2h92 n LYS 68 Ca -0.17 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 2h92 n LYS 68 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.46 2h92 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h92 h ALA 69 N -1.99 -0.10 0.00 7.82 0.00 -2.01 -2.49 119.26 120.49 2h92 h ALA 69 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2h92 h ALA 69 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2h92 h ALA 69 CO 0.00 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 178.46 2h92 n ASP 70 N -4.98 0.00 -0.13 0.00 5.68 -1.26 -4.79 116.55 111.07 2h92 n ASP 70 Ca -0.08 -1.11 -0.02 0.00 -0.50 0.00 0.00 54.79 53.08 2h92 n ASP 70 Cb 0.20 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.17 2h92 n ASP 70 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2h92 n LYS 71 N -0.53 -1.21 -2.19 0.11 4.76 -0.94 -4.97 118.16 113.18 2h92 n LYS 71 Ca 0.01 0.40 -0.40 0.00 -2.87 0.00 0.00 58.31 55.45 2h92 n LYS 71 Cb 0.00 -4.35 -0.02 0.00 -1.84 0.00 0.00 35.03 28.82 2h92 n LYS 71 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2h92 s GLY 72 N -2.11 2.97 0.15 0.72 0.00 -1.26 -4.63 107.32 103.15 2h92 s GLY 72 Ca 0.00 1.14 -0.30 0.00 0.00 0.00 0.00 44.72 45.56 2h92 s GLY 72 CO 0.00 1.74 1.02 1.62 0.00 0.00 0.00 173.10 177.48 2h92 s GLN 73 N -1.95 4.67 -0.03 2.90 0.74 -1.26 -1.27 119.66 123.45 2h92 s GLN 73 Ca 0.52 1.57 0.07 0.00 0.05 0.00 0.00 55.36 57.56 2h92 s GLN 73 Cb -0.36 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 2h92 s GLN 73 CO 0.47 0.18 -0.24 0.00 -0.55 0.00 0.00 175.29 175.15 2h92 s VAL 75 N -0.40 4.06 -0.42 0.00 1.01 -1.26 -0.22 120.40 123.17 2h92 s VAL 75 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2h92 s VAL 75 Cb -0.11 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.35 2h92 s VAL 75 CO 0.01 0.23 0.28 -0.63 0.00 0.00 0.00 175.10 174.99 2h92 s ILE 76 N 1.55 4.63 -0.23 2.22 -1.09 0.56 -1.48 121.20 127.36 2h92 s ILE 76 Ca 0.05 -1.11 -0.06 0.00 -2.23 0.00 0.00 60.65 57.29 2h92 s ILE 76 Cb -0.16 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 2h92 s ILE 76 CO 0.02 -0.43 0.03 -0.22 -1.23 0.00 0.00 174.94 173.11 2h92 s LEU 77 N 1.53 3.31 -1.48 2.97 2.96 0.57 -1.06 118.68 127.49 2h92 s LEU 77 Ca 0.03 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2h92 s LEU 77 Cb -0.22 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2h92 s LEU 77 CO 0.05 0.01 0.31 0.47 -1.32 0.00 0.00 176.35 175.87 2h92 n ASP 78 N 4.63 -0.12 -0.75 3.68 8.00 0.49 -0.56 116.55 131.92 2h92 n ASP 78 Ca -0.17 -1.10 -0.10 0.00 0.71 0.00 0.00 54.79 54.14 2h92 n ASP 78 Cb 0.51 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.12 39.02 2h92 n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2h92 n ASN 79 N -2.93 -5.05 -4.37 -2.24 5.03 -1.26 -5.00 115.26 99.44 2h92 n ASN 79 Ca -0.29 0.24 -0.32 0.00 0.87 0.00 0.00 54.58 55.09 2h92 n ASN 79 Cb 0.67 -3.41 -0.15 0.00 -1.02 0.00 0.00 39.78 35.88 2h92 n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2h92 s GLU 80 N -2.64 2.22 -0.56 3.52 2.02 0.28 -5.07 118.70 118.47 2h92 s GLU 80 Ca 0.00 -0.87 -0.26 0.00 0.02 0.00 0.00 54.97 53.87 2h92 s GLU 80 Cb 0.00 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.12 2h92 s GLU 80 CO 0.00 0.58 1.04 0.34 0.02 0.00 0.00 175.26 177.24 2h92 s ASP 81 N -0.70 6.39 -0.04 -0.19 -1.08 -1.26 -0.31 116.67 119.47 2h92 s ASP 81 Ca 0.11 -0.15 0.17 0.00 -0.52 0.00 0.00 52.55 52.15 2h92 s ASP 81 Cb -0.10 -2.48 0.54 0.00 -1.46 0.00 0.00 42.92 39.41 2h92 s ASP 81 CO -0.00 -1.32 1.45 1.33 0.52 0.00 0.00 175.17 177.15 2h92 n VAL 82 N 6.39 1.33 -0.32 1.11 0.24 -0.55 -4.69 118.33 121.84 2h92 n VAL 82 Ca 0.05 -1.13 0.17 0.00 -2.04 0.00 0.00 64.34 61.38 2h92 n VAL 82 Cb 0.48 0.34 0.34 0.00 -1.47 0.00 0.00 33.84 33.53 2h92 n VAL 82 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2h92 h THR 83 N 3.22 0.18 -0.25 3.34 2.02 -1.89 0.12 112.91 119.64 2h92 h THR 83 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2h92 h THR 83 Cb 1.06 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2h92 h THR 83 CO 0.08 0.02 0.00 0.47 0.37 0.00 0.00 175.52 176.46 2h92 n ASP 84 N -5.30 1.50 -0.39 4.18 10.43 -1.26 -3.99 116.55 121.71 2h92 n ASP 84 Ca 0.25 -1.92 0.09 0.00 2.57 0.00 0.00 54.79 55.77 2h92 n ASP 84 Cb 0.81 -0.17 0.18 0.00 1.84 0.00 0.00 41.12 43.78 2h92 n ASP 84 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2h92 n PHE 85 N 0.29 0.30 0.48 1.24 0.99 0.03 -4.72 117.46 116.07 2h92 n PHE 85 Ca 0.11 -1.04 0.09 0.00 -0.00 0.00 0.00 57.45 56.61 2h92 n PHE 85 Cb 0.25 -0.22 0.13 0.00 -1.00 0.00 0.00 39.48 38.64 2h92 n PHE 85 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2h92 n LEU 86 N -1.15 2.81 -4.04 4.37 4.77 -1.25 -4.89 117.00 117.62 2h92 n LEU 86 Ca 0.19 -1.28 -0.11 0.00 -0.03 0.00 0.00 56.01 54.78 2h92 n LEU 86 Cb 0.73 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2h92 n LEU 86 CO 0.05 0.56 0.13 0.00 -1.33 0.00 0.00 177.39 176.81 2h92 s ARG 87 N -1.39 1.60 -1.43 3.23 1.70 -1.26 -4.52 118.95 116.87 2h92 s ARG 87 Ca 0.26 -1.41 -0.08 0.00 -0.47 0.00 0.00 55.73 54.04 2h92 s ARG 87 Cb 0.17 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 35.03 2h92 s ARG 87 CO 0.24 -0.65 0.62 0.09 -1.08 0.00 0.00 175.30 174.52 2h92 n ASN 88 N -0.60 -4.97 -0.66 -2.89 5.03 -1.26 -4.91 115.26 105.00 2h92 n ASN 88 Ca -0.01 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.05 2h92 n ASN 88 Cb 0.62 -4.03 0.00 0.00 -1.02 0.00 0.00 39.78 35.35 2h92 n ASN 88 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2h92 n ASN 89 N -2.48 0.00 0.29 6.41 2.04 -1.26 -5.03 115.26 115.23 2h92 n ASN 89 Ca -0.05 -0.66 0.19 0.00 -0.44 0.00 0.00 54.58 53.62 2h92 n ASN 89 Cb 0.57 0.00 1.00 0.00 -2.53 0.00 0.00 39.78 38.83 2h92 n ASN 89 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2h92 h ASP 90 N 0.00 0.00 -0.56 0.53 3.32 -1.96 -2.60 116.42 115.15 2h92 h ASP 90 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2h92 h ASP 90 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2h92 h ASP 90 CO 0.00 0.00 0.36 0.58 -1.72 0.00 0.00 179.24 178.46 2h92 h VAL 91 N 0.00 1.12 -0.70 -1.35 2.07 -1.90 -2.47 116.25 113.02 2h92 h VAL 91 Ca 0.00 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2h92 h VAL 91 Cb 0.09 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2h92 h VAL 91 CO 0.00 0.13 0.46 0.74 0.02 0.00 0.00 177.57 178.93 2h92 h THR 92 N 0.73 1.05 0.00 2.57 2.02 -1.69 0.10 112.91 117.69 2h92 h THR 92 Ca 0.21 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2h92 h THR 92 Cb -0.05 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2h92 h THR 92 CO -0.06 0.14 0.00 0.00 0.37 0.00 0.00 175.52 175.97 2h92 n GLN 93 N -4.47 0.01 0.00 6.66 1.13 -0.94 -3.85 117.38 115.92 2h92 n GLN 93 Ca 0.10 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2h92 n GLN 93 Cb 0.19 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.03 2h92 n GLN 93 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2h92 n HIS 94 N -1.52 0.00 -0.36 1.08 8.25 -0.73 -4.80 115.22 117.13 2h92 n HIS 94 Ca 0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.55 2h92 n HIS 94 Cb 0.30 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.59 2h92 n HIS 94 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2h92 h VAL 95 N 0.00 1.06 -0.69 1.59 3.04 -1.11 -1.96 116.25 118.18 2h92 h VAL 95 Ca 0.00 -0.39 0.05 0.00 -1.01 0.00 0.00 66.70 65.35 2h92 h VAL 95 Cb 0.00 -0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 29.06 2h92 h VAL 95 CO 0.00 0.21 0.41 0.28 -1.01 0.00 0.00 177.57 177.45 2h92 h SER 96 N 1.13 0.63 -0.11 3.17 0.02 -1.87 0.27 113.55 116.79 2h92 h SER 96 Ca 0.43 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 2h92 h SER 96 Cb 0.21 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2h92 h SER 96 CO -0.19 0.42 0.04 0.22 -1.14 0.00 0.00 176.83 176.18 2h92 h TYR 97 N 0.76 0.16 -0.68 3.45 3.20 -1.73 -2.71 116.97 119.43 2h92 h TYR 97 Ca 0.30 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2h92 h TYR 97 Cb 0.13 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2h92 h TYR 97 CO -0.06 0.27 0.14 0.28 -1.64 0.00 0.00 178.16 177.16 2h92 h VAL 98 N 0.01 1.26 0.00 1.81 2.07 -0.91 -2.37 116.25 118.12 2h92 h VAL 98 Ca 0.04 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2h92 h VAL 98 Cb 0.18 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2h92 h VAL 98 CO -0.00 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.96 2h92 h ALA 99 N 1.06 1.00 -0.00 1.67 0.00 -0.42 -2.45 119.26 120.12 2h92 h ALA 99 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2h92 h ALA 99 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2h92 h ALA 99 CO 0.01 0.00 -0.14 -1.13 0.00 0.00 0.00 179.25 177.99 2h92 n SER 100 N -2.30 0.14 -4.71 0.00 3.41 -0.89 -4.61 113.62 104.66 2h92 n SER 100 Ca 0.01 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.49 2h92 n SER 100 Cb 0.18 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 2h92 n SER 100 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2h92 s LYS 101 N -2.99 4.50 0.20 4.33 3.01 -0.92 -4.69 119.74 123.18 2h92 s LYS 101 Ca 0.13 1.21 -0.12 0.00 -1.01 0.00 0.00 55.97 56.18 2h92 s LYS 101 Cb 0.19 -3.46 0.25 0.00 -1.01 0.00 0.00 37.83 33.80 2h92 s LYS 101 CO 0.58 -0.02 1.67 1.49 0.51 0.00 0.00 175.35 179.58 2h92 h GLU 102 N 6.81 0.11 -0.54 1.68 4.22 -1.89 -1.40 114.58 123.57 2h92 h GLU 102 Ca -0.40 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.03 2h92 h GLU 102 Cb 1.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2h92 h GLU 102 CO 0.76 0.07 0.35 -1.35 -2.18 0.00 0.00 179.01 176.66 2h92 h PRO 103 N 0.12 0.72 -0.09 0.92 0.11 -1.94 -0.36 132.00 131.47 2h92 h PRO 103 Ca 0.29 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 2h92 h PRO 103 Cb 0.46 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 2h92 h PRO 103 CO -0.48 0.48 -0.11 0.28 -0.21 0.00 0.00 178.00 177.96 2h92 h VAL 104 N 0.74 1.37 -0.57 3.15 2.07 -1.58 -2.31 116.25 119.11 2h92 h VAL 104 Ca 0.20 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 2h92 h VAL 104 Cb -0.07 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2h92 h VAL 104 CO -0.04 0.36 -0.01 0.03 0.02 0.00 0.00 177.57 177.93 2h92 h ARG 105 N -0.18 0.99 -0.62 1.57 3.08 -0.97 -1.31 114.38 116.93 2h92 h ARG 105 Ca 0.01 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 2h92 h ARG 105 Cb 0.63 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2h92 h ARG 105 CO 0.03 0.98 0.14 0.77 -1.07 0.00 0.00 179.97 180.81 2h92 h SER 106 N 0.90 0.95 0.06 7.04 0.02 -1.11 0.12 113.55 121.54 2h92 h SER 106 Ca 0.16 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2h92 h SER 106 Cb 0.54 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2h92 h SER 106 CO 0.03 0.94 -0.03 0.15 -1.14 0.00 0.00 176.83 176.78 2h92 h PHE 107 N 0.92 -0.08 -0.23 3.45 3.57 -1.26 -2.43 116.94 120.87 2h92 h PHE 107 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2h92 h PHE 107 Cb 0.37 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2h92 h PHE 107 CO 0.03 0.10 0.06 0.00 -2.23 0.00 0.00 178.31 176.26 2h92 h ALA 108 N 0.68 0.30 -0.35 2.41 0.00 -1.09 -2.95 119.26 118.27 2h92 h ALA 108 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2h92 h ALA 108 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2h92 h ALA 108 CO 0.01 -0.05 0.22 0.28 0.00 0.00 0.00 179.25 179.72 2h92 h VAL 109 N 0.20 1.07 -0.68 0.00 2.07 -0.80 -0.37 116.25 117.74 2h92 h VAL 109 Ca 0.07 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2h92 h VAL 109 Cb 0.27 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 2h92 h VAL 109 CO 0.00 0.08 0.37 0.50 0.02 0.00 0.00 177.57 178.54 2h92 h LYS 110 N 0.46 0.64 -0.40 1.57 3.64 -1.43 0.44 116.57 121.48 2h92 h LYS 110 Ca 0.13 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2h92 h LYS 110 Cb -0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2h92 h LYS 110 CO -0.04 0.43 -0.11 0.87 -2.27 0.00 0.00 179.45 178.32 2h92 h LYS 111 N 0.66 0.71 -0.56 1.90 1.79 -1.26 -2.34 116.57 117.47 2h92 h LYS 111 Ca 0.31 -0.23 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 2h92 h LYS 111 Cb 0.23 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2h92 h LYS 111 CO -0.20 0.80 -0.05 1.96 -1.08 0.00 0.00 179.45 180.88 2h92 h GLN 112 N 0.65 1.01 -0.28 3.15 4.20 0.34 -1.76 115.11 122.41 2h92 h GLN 112 Ca 0.11 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 2h92 h GLN 112 Cb 0.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2h92 h GLN 112 CO 0.04 1.02 -0.02 0.87 -0.67 0.00 0.00 178.83 180.06 2h92 h LYS 113 N 0.91 0.51 -0.83 1.46 1.57 -0.84 -2.62 116.57 116.73 2h92 h LYS 113 Ca 0.15 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2h92 h LYS 113 Cb 0.60 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 2h92 h LYS 113 CO 0.04 0.68 0.51 0.93 -0.57 0.00 0.00 179.45 181.03 2h92 h GLU 114 N 0.28 0.89 0.00 3.15 5.08 -1.26 0.27 114.58 123.00 2h92 h GLU 114 Ca 0.08 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2h92 h GLU 114 Cb 0.46 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2h92 h GLU 114 CO 0.02 0.59 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.43 2h92 h LEU 115 N 0.92 0.00 -2.14 1.33 4.07 -1.12 -2.89 115.31 115.49 2h92 h LEU 115 Ca 0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.33 2h92 h LEU 115 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2h92 h LEU 115 CO -0.18 0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.30 2h92 n ALA 116 N -2.48 2.42 -0.31 1.53 0.00 -0.25 -4.61 120.51 116.82 2h92 n ALA 116 Ca -0.03 -0.87 0.12 0.00 0.00 0.00 0.00 53.44 52.67 2h92 n ALA 116 Cb 0.20 -0.75 0.35 0.00 0.00 0.00 0.00 19.45 19.25 2h92 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h92 h ALA 117 N 4.05 1.78 -0.51 0.00 0.00 -0.79 0.65 119.26 124.43 2h92 h ALA 117 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2h92 h ALA 117 Cb 0.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2h92 h ALA 117 CO 0.00 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.57 2h92 n GLU 118 N -4.62 3.08 0.00 0.00 4.71 -1.26 -5.05 120.64 117.49 2h92 n GLU 118 Ca 0.20 -2.21 0.00 0.00 -0.01 0.00 0.00 57.16 55.14 2h92 n GLU 118 Cb 0.51 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 2h92 n GLU 118 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2h92 n LYS 119 N 0.85 0.00 -0.83 3.49 5.02 0.22 -4.89 118.16 122.02 2h92 n LYS 119 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2h92 n LYS 119 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.72 2h92 n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h92 n GLY 120 N 0.00 0.56 3.60 0.72 0.00 0.59 -4.90 105.19 105.77 2h92 n GLY 120 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2h92 n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h92 s ILE 121 N -2.00 4.12 -0.52 -0.61 -1.09 -1.19 -1.15 121.20 118.75 2h92 s ILE 121 Ca 0.00 -0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 58.06 2h92 s ILE 121 Cb 0.00 -2.76 0.14 0.00 -1.58 0.00 0.00 42.46 38.26 2h92 s ILE 121 CO 0.00 0.56 0.36 -0.69 -1.23 0.00 0.00 174.94 173.94 2h92 s VAL 122 N -0.38 3.86 -0.25 2.92 1.01 0.93 -0.95 120.40 127.54 2h92 s VAL 122 Ca 0.07 -2.29 -0.09 0.00 0.00 0.00 0.00 61.98 59.66 2h92 s VAL 122 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2h92 s VAL 122 CO 0.02 -0.80 0.13 -0.32 0.00 0.00 0.00 175.10 174.13 2h92 s MET 123 N 0.76 3.89 0.20 2.72 1.75 -0.19 -1.46 119.30 126.96 2h92 s MET 123 Ca 0.11 -0.36 0.05 0.00 -1.25 0.00 0.00 55.69 54.23 2h92 s MET 123 Cb -0.22 -3.46 -0.03 0.00 2.84 0.00 0.00 34.83 33.95 2h92 s MET 123 CO -0.03 -0.07 0.25 0.16 -0.65 0.00 0.00 175.02 174.68 2h92 s ASP 124 N 1.37 5.96 0.00 1.11 3.84 -0.81 -0.74 116.67 127.39 2h92 s ASP 124 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 52.55 52.59 2h92 s ASP 124 Cb -0.15 -1.67 0.00 0.00 -1.38 0.00 0.00 42.92 39.72 2h92 s ASP 124 CO 0.06 0.01 0.00 0.61 -0.00 0.00 0.00 175.17 175.85 2h92 n GLY 125 N -0.84 -0.67 0.00 2.12 0.00 -0.36 -2.84 105.19 102.59 2h92 n GLY 125 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2h92 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h92 n ARG 126 N 0.00 1.94 -0.68 1.61 5.12 -1.26 -2.45 116.66 120.95 2h92 n ARG 126 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 2h92 n ARG 126 Cb 0.00 -0.94 0.18 0.00 -1.16 0.00 0.00 32.46 30.54 2h92 n ARG 126 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2h92 n ASP 127 N -2.07 1.64 -0.02 0.55 5.75 -1.26 -4.01 116.55 117.14 2h92 n ASP 127 Ca 0.00 -3.60 -0.13 0.00 -0.01 0.00 0.00 54.79 51.05 2h92 n ASP 127 Cb 0.44 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 2h92 n ASP 127 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2h92 h ILE 128 N 1.75 1.41 0.00 2.12 1.08 -1.92 0.13 117.51 122.07 2h92 h ILE 128 Ca -0.03 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2h92 h ILE 128 Cb 1.12 2.22 -0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2h92 h ILE 128 CO 0.01 0.32 -0.05 1.23 -0.69 0.00 0.00 178.15 178.97 2h92 h GLY 129 N -0.48 0.00 0.07 5.37 0.00 -1.87 0.22 103.07 106.37 2h92 h GLY 129 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 2h92 h GLY 129 CO 0.00 0.00 -2.41 -1.30 0.00 0.00 0.00 176.54 172.83 2h92 n THR 130 N -3.17 1.50 -0.00 4.70 -2.24 -1.22 -4.30 114.28 109.56 2h92 n THR 130 Ca 0.01 -0.62 -0.01 0.00 -2.27 0.00 0.00 64.05 61.16 2h92 n THR 130 Cb 0.35 -1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2h92 n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2h92 n VAL 131 N -3.20 0.03 -0.00 2.28 0.31 0.35 -4.68 118.33 113.42 2h92 n VAL 131 Ca -0.42 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 2h92 n VAL 131 Cb 1.02 -1.05 -0.10 0.00 -0.91 0.00 0.00 33.84 32.81 2h92 n VAL 131 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2h92 h VAL 132 N -0.01 1.27 -2.18 2.52 2.07 -1.22 -3.39 116.25 115.32 2h92 h VAL 132 Ca -0.01 -1.44 -0.58 0.00 0.82 0.00 0.00 66.70 65.48 2h92 h VAL 132 Cb 1.02 2.17 -0.41 0.00 -1.52 0.00 0.00 31.29 32.54 2h92 h VAL 132 CO -0.01 0.34 -0.71 0.18 0.02 0.00 0.00 177.57 177.39 2h92 n LEU 133 N -4.82 3.27 0.30 2.57 4.77 0.76 -4.83 117.00 119.03 2h92 n LEU 133 Ca -0.08 -5.38 0.18 0.00 -0.03 0.00 0.00 56.01 50.70 2h92 n LEU 133 Cb 0.31 -0.37 0.95 0.00 -2.33 0.00 0.00 43.42 41.97 2h92 n LEU 133 CO 0.30 2.15 1.09 1.55 -1.33 0.00 0.00 177.39 181.15 2h92 h PRO 134 N 3.78 0.00 -0.27 3.23 0.13 -1.75 -0.62 132.00 136.50 2h92 h PRO 134 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2h92 h PRO 134 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2h92 h PRO 134 CO 0.76 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 2h92 n ASP 135 N -2.82 3.92 -4.69 1.44 8.00 -1.26 -4.99 116.55 116.14 2h92 n ASP 135 Ca -0.02 -3.01 -0.40 0.00 0.71 0.00 0.00 54.79 52.06 2h92 n ASP 135 Cb 0.17 -0.55 0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2h92 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h92 n ALA 136 N -0.48 1.12 0.22 2.24 0.00 -0.24 -4.87 120.51 118.50 2h92 n ALA 136 Ca 0.21 0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.95 2h92 n ALA 136 Cb 0.90 -2.25 0.49 0.00 0.00 0.00 0.00 19.45 18.59 2h92 n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2h92 h ASP 137 N 1.80 0.00 -3.41 0.00 5.19 -1.70 -3.42 116.42 114.88 2h92 h ASP 137 Ca -0.48 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.68 2h92 h ASP 137 Cb 1.31 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.50 2h92 h ASP 137 CO 0.58 0.27 -0.61 -0.22 -3.12 0.00 0.00 179.24 176.14 2h92 s LEU 138 N -7.28 0.67 -0.19 1.55 2.96 -1.17 -5.04 118.68 110.18 2h92 s LEU 138 Ca -0.01 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2h92 s LEU 138 Cb 0.12 0.34 0.03 0.00 0.50 0.00 0.00 46.19 47.18 2h92 s LEU 138 CO 0.65 -0.16 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.84 2h92 s LYS 139 N 1.26 2.50 -0.02 1.98 1.02 -1.26 0.07 119.74 125.28 2h92 s LYS 139 Ca -0.08 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.05 2h92 s LYS 139 Cb -0.12 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2h92 s LYS 139 CO -0.06 -0.33 -0.06 0.08 -0.92 0.00 0.00 175.35 174.06 2h92 s VAL 140 N 1.32 3.76 -0.36 3.17 1.01 0.99 -0.83 120.40 129.45 2h92 s VAL 140 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2h92 s VAL 140 Cb -0.15 -2.60 0.11 0.00 0.00 0.00 0.00 36.38 33.73 2h92 s VAL 140 CO -0.10 0.47 0.09 -0.47 0.00 0.00 0.00 175.10 175.09 2h92 s TYR 141 N -0.94 3.35 0.14 5.22 5.04 0.21 -1.09 117.35 129.27 2h92 s TYR 141 Ca 0.16 -2.84 -0.29 0.00 -2.44 0.00 0.00 57.07 51.66 2h92 s TYR 141 Cb -0.11 -2.71 -0.07 0.00 0.35 0.00 0.00 41.96 39.42 2h92 s TYR 141 CO 0.06 -0.91 0.91 -1.64 -1.34 0.00 0.00 175.55 172.62 2h92 s MET 142 N 0.82 4.69 0.10 4.97 -1.94 0.34 -0.89 119.30 127.39 2h92 s MET 142 Ca 0.12 1.37 -0.03 0.00 -1.71 0.00 0.00 55.69 55.44 2h92 s MET 142 Cb -0.20 -3.34 -0.03 0.00 2.01 0.00 0.00 34.83 33.27 2h92 s MET 142 CO -0.09 0.34 0.06 0.96 -0.01 0.00 0.00 175.02 176.27 2h92 s ILE 143 N -0.42 0.15 -0.19 2.53 -4.36 -0.32 -4.05 121.20 114.55 2h92 s ILE 143 Ca 0.43 -1.75 -0.32 0.00 -0.26 0.00 0.00 60.65 58.75 2h92 s ILE 143 Cb -0.23 -1.74 0.14 0.00 1.25 0.00 0.00 42.46 41.88 2h92 s ILE 143 CO 0.29 -0.68 1.17 0.00 0.24 0.00 0.00 174.94 175.95 2h92 s ALA 144 N -3.97 -2.03 0.71 2.27 0.00 -1.26 -1.09 121.76 116.39 2h92 s ALA 144 Ca 0.15 1.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.56 2h92 s ALA 144 Cb 0.07 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2h92 s ALA 144 CO -0.04 -0.48 1.17 -1.54 0.00 0.00 0.00 175.76 174.86 2h92 s SER 145 N -1.79 4.45 0.22 0.00 1.04 -1.26 -4.81 113.70 111.55 2h92 s SER 145 Ca 0.07 2.23 -0.09 0.00 0.48 0.00 0.00 55.95 58.64 2h92 s SER 145 Cb -0.01 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.72 2h92 s SER 145 CO -0.05 -2.09 1.89 0.58 0.98 0.00 0.00 173.24 174.56 2h92 h VAL 146 N -0.25 1.22 -0.46 5.02 2.07 -1.99 -0.77 116.25 121.10 2h92 h VAL 146 Ca -0.47 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 66.65 2h92 h VAL 146 Cb 1.28 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2h92 h VAL 146 CO 0.51 0.21 0.30 -0.08 0.02 0.00 0.00 177.57 178.53 2h92 h GLU 147 N 1.13 0.60 0.16 1.57 4.81 -1.96 0.32 114.58 121.20 2h92 h GLU 147 Ca 0.30 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2h92 h GLU 147 Cb -0.12 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2h92 h GLU 147 CO -0.06 0.40 -0.08 1.49 -0.73 0.00 0.00 179.01 180.02 2h92 h GLU 148 N 0.62 -0.21 -0.65 1.92 4.57 -1.80 -0.82 114.58 118.21 2h92 h GLU 148 Ca 0.17 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 2h92 h GLU 148 Cb -0.06 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2h92 h GLU 148 CO -0.04 -0.14 0.15 0.00 -1.18 0.00 0.00 179.01 177.79 2h92 h ARG 149 N -0.22 1.04 -0.24 1.92 3.08 -0.87 -1.32 114.38 117.76 2h92 h ARG 149 Ca -0.02 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2h92 h ARG 149 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2h92 h ARG 149 CO 0.03 0.93 0.13 0.00 -1.07 0.00 0.00 179.97 179.99 2h92 h ALA 150 N 1.17 0.31 -0.76 0.04 0.00 -0.18 0.02 119.26 119.87 2h92 h ALA 150 Ca 0.21 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2h92 h ALA 150 Cb 0.37 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2h92 h ALA 150 CO 0.00 -0.17 0.48 0.93 0.00 0.00 0.00 179.25 180.50 2h92 h GLU 151 N 0.28 0.90 -0.41 0.00 5.08 -0.87 0.92 114.58 120.49 2h92 h GLU 151 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2h92 h GLU 151 Cb 0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2h92 h GLU 151 CO -0.01 0.60 0.18 -0.09 -1.00 0.00 0.00 179.01 178.69 2h92 h ARG 152 N 0.93 0.60 -0.46 2.33 2.43 -0.85 -0.92 114.38 118.44 2h92 h ARG 152 Ca 0.31 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2h92 h ARG 152 Cb 0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2h92 h ARG 152 CO -0.11 0.54 0.04 -0.09 -1.51 0.00 0.00 179.97 178.84 2h92 h ARG 153 N 0.52 0.79 -0.51 0.20 9.65 -0.53 -1.77 114.38 122.73 2h92 h ARG 153 Ca 0.14 -0.23 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2h92 h ARG 153 Cb 0.15 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.61 2h92 h ARG 153 CO -0.01 0.83 0.29 -0.92 2.80 0.00 0.00 179.97 182.95 2h92 h TYR 154 N 0.65 0.53 -0.30 2.20 3.20 -0.63 0.05 116.97 122.66 2h92 h TYR 154 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 2h92 h TYR 154 Cb 0.44 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2h92 h TYR 154 CO 0.03 0.29 0.01 -0.22 -1.64 0.00 0.00 178.16 176.63 2h92 h LYS 155 N 0.57 0.52 -0.30 1.82 3.64 -0.97 -1.36 116.57 120.49 2h92 h LYS 155 Ca 0.21 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2h92 h LYS 155 Cb 0.07 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2h92 h LYS 155 CO -0.12 0.66 -0.07 0.22 -2.27 0.00 0.00 179.45 177.87 2h92 h ASP 156 N 0.32 -0.26 -0.09 4.20 3.58 -1.03 -1.23 116.42 121.91 2h92 h ASP 156 Ca 0.09 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.67 2h92 h ASP 156 Cb 0.42 0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 2h92 h ASP 156 CO 0.01 -0.09 -0.32 0.78 -2.88 0.00 0.00 179.24 176.75 2h92 h ASN 157 N 0.01 -0.97 -0.84 2.28 -0.26 -0.74 0.17 115.58 115.23 2h92 h ASN 157 Ca 0.14 0.14 0.11 0.00 -0.56 0.00 0.00 56.30 56.14 2h92 h ASN 157 Cb 0.21 0.41 -0.06 0.00 -1.06 0.00 0.00 38.32 37.82 2h92 h ASN 157 CO -0.30 -0.36 0.54 1.56 -1.06 0.00 0.00 177.43 177.81 2h92 h GLN 158 N -0.41 0.70 0.02 0.81 1.08 -0.82 0.38 115.11 116.87 2h92 h GLN 158 Ca 0.09 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2h92 h GLN 158 Cb 0.54 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2h92 h GLN 158 CO -0.33 0.46 -0.01 -0.07 -0.95 0.00 0.00 178.83 177.94 2h92 h LEU 159 N 0.72 -0.02 0.00 1.46 4.07 0.03 -3.02 115.31 118.55 2h92 h LEU 159 Ca 0.40 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2h92 h LEU 159 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2h92 h LEU 159 CO -0.17 0.53 0.00 0.54 -1.08 0.00 0.00 178.44 178.27 2h92 n ARG 160 N -4.84 0.27 -1.13 1.13 1.74 0.46 -4.74 116.66 109.55 2h92 n ARG 160 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2h92 n ARG 160 Cb 0.28 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 2h92 n ARG 160 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h92 n GLY 161 N -0.34 0.50 3.27 -0.13 0.00 -0.89 -5.05 105.19 102.55 2h92 n GLY 161 Ca 0.03 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 2h92 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h92 s ILE 162 N -2.00 3.21 0.07 -0.61 1.01 0.13 -5.00 121.20 118.02 2h92 s ILE 162 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 2h92 s ILE 162 Cb 0.00 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 2h92 s ILE 162 CO 0.00 0.34 1.02 -1.61 0.00 0.00 0.00 174.94 174.69 2h92 s GLU 163 N 1.43 4.60 -0.00 2.79 0.41 -1.26 -2.82 118.70 123.84 2h92 s GLU 163 Ca 0.04 1.52 -0.10 0.00 -0.41 0.00 0.00 54.97 56.02 2h92 s GLU 163 Cb -0.15 -3.39 0.01 0.00 -1.78 0.00 0.00 34.13 28.82 2h92 s GLU 163 CO -0.04 0.03 0.21 -1.54 -0.49 0.00 0.00 175.26 173.43 2h92 s SER 164 N 0.51 -0.05 -0.26 -0.19 1.04 -1.26 -5.04 113.70 108.45 2h92 s SER 164 Ca 0.51 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.67 2h92 s SER 164 Cb -0.24 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2h92 s SER 164 CO 0.30 -0.42 0.41 0.21 0.98 0.00 0.00 173.24 174.72 2h92 s ASN 165 N -1.42 6.32 0.22 7.02 2.47 -1.26 -4.98 114.94 123.30 2h92 s ASN 165 Ca -0.14 0.37 -0.15 0.00 0.42 0.00 0.00 52.86 53.37 2h92 s ASN 165 Cb -0.06 -2.23 0.24 0.00 -1.45 0.00 0.00 41.25 37.75 2h92 s ASN 165 CO 0.02 -0.19 1.60 0.15 -3.72 0.00 0.00 177.10 174.96 2h92 h PHE 166 N 8.00 -0.59 -0.64 0.43 3.57 -1.99 -0.79 116.94 124.93 2h92 h PHE 166 Ca -0.32 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.28 2h92 h PHE 166 Cb 1.16 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 2h92 h PHE 166 CO 0.74 -0.34 0.39 1.49 -2.23 0.00 0.00 178.31 178.37 2h92 h GLU 167 N -0.05 0.75 -0.50 1.11 4.57 -1.99 0.16 114.58 118.63 2h92 h GLU 167 Ca 0.31 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.36 2h92 h GLU 167 Cb 0.54 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2h92 h GLU 167 CO -0.74 0.49 -0.04 -0.44 -1.18 0.00 0.00 179.01 177.10 2h92 h ASP 168 N 0.77 0.90 -0.05 1.04 3.32 -1.75 -0.73 116.42 119.92 2h92 h ASP 168 Ca 0.26 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2h92 h ASP 168 Cb 0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2h92 h ASP 168 CO -0.11 1.01 -0.07 0.25 -1.72 0.00 0.00 179.24 178.61 2h92 h LEU 169 N 0.77 -0.21 -0.47 1.55 5.85 -0.71 0.18 115.31 122.26 2h92 h LEU 169 Ca 0.14 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2h92 h LEU 169 Cb 0.58 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2h92 h LEU 169 CO 0.03 -0.10 0.27 0.50 -0.34 0.00 0.00 178.44 178.81 2h92 h LYS 170 N -0.10 0.65 -0.33 1.25 3.64 -0.88 -0.87 116.57 119.93 2h92 h LYS 170 Ca 0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2h92 h LYS 170 Cb 0.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2h92 h LYS 170 CO -0.11 0.49 0.18 -0.09 -2.27 0.00 0.00 179.45 177.66 2h92 h ARG 171 N 0.62 0.46 -0.44 1.90 2.43 -0.73 -1.50 114.38 117.11 2h92 h ARG 171 Ca 0.17 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 2h92 h ARG 171 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2h92 h ARG 171 CO -0.03 0.38 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.20 2h92 h ASP 172 N 0.41 0.87 -0.50 -3.80 3.32 -0.46 -1.43 116.42 114.83 2h92 h ASP 172 Ca 0.12 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2h92 h ASP 172 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2h92 h ASP 172 CO -0.02 1.03 0.25 0.40 -1.72 0.00 0.00 179.24 179.18 2h92 h ILE 173 N 0.76 1.19 -0.34 0.35 2.04 -1.02 -0.48 117.51 120.01 2h92 h ILE 173 Ca 0.11 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2h92 h ILE 173 Cb 0.70 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2h92 h ILE 173 CO 0.05 0.21 0.11 -0.08 0.00 0.00 0.00 178.15 178.44 2h92 h GLU 174 N 0.66 0.53 -0.77 2.37 4.57 -1.11 -1.57 114.58 119.27 2h92 h GLU 174 Ca 0.17 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2h92 h GLU 174 Cb 0.11 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 2h92 h GLU 174 CO -0.02 0.56 0.39 0.00 -1.18 0.00 0.00 179.01 178.76 2h92 h ALA 175 N 0.95 1.00 -0.21 2.92 0.00 -1.00 -0.18 119.26 122.73 2h92 h ALA 175 Ca 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2h92 h ALA 175 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2h92 h ALA 175 CO -0.00 0.54 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 2h92 h ARG 176 N 1.09 0.41 -0.59 0.00 3.08 -0.92 -0.94 114.38 116.51 2h92 h ARG 176 Ca 0.27 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.18 2h92 h ARG 176 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2h92 h ARG 176 CO -0.04 0.66 0.36 -0.44 -1.07 0.00 0.00 179.97 179.44 2h92 h ASP 177 N 0.13 0.60 -0.15 7.04 3.32 -1.12 0.12 116.42 126.35 2h92 h ASP 177 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2h92 h ASP 177 Cb 0.51 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2h92 h ASP 177 CO 0.02 0.42 0.10 1.56 -1.72 0.00 0.00 179.24 179.62 2h92 h GLN 178 N 0.72 0.19 -0.63 3.56 1.08 -0.89 0.42 115.11 119.57 2h92 h GLN 178 Ca 0.23 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2h92 h GLN 178 Cb -0.00 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2h92 h GLN 178 CO -0.09 0.13 0.38 -0.92 -0.95 0.00 0.00 178.83 177.38 2h92 h TYR 179 N 0.20 0.83 -0.01 2.96 3.20 -0.71 -1.34 116.97 122.10 2h92 h TYR 179 Ca 0.05 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 2h92 h TYR 179 Cb -0.02 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 2h92 h TYR 179 CO -0.07 0.57 -0.31 -0.44 -1.64 0.00 0.00 178.16 176.27 2h92 h ASP 180 N 0.85 0.02 1.48 -2.11 3.32 -0.43 -1.56 116.42 117.99 2h92 h ASP 180 Ca 0.22 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2h92 h ASP 180 Cb -0.02 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2h92 h ASP 180 CO -0.04 0.33 -0.54 0.24 -1.72 0.00 0.00 179.24 177.51 2h92 h MET 181 N 0.02 0.00 -0.01 3.56 2.86 -0.47 -0.26 114.93 120.63 2h92 h MET 181 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2h92 h MET 181 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2h92 h MET 181 CO 0.04 0.35 -0.54 0.09 1.06 0.00 0.00 176.91 177.92 2h92 n ASN 182 N -3.13 1.50 -4.74 1.22 3.02 -0.54 -4.60 115.26 107.99 2h92 n ASN 182 Ca 0.01 -1.25 -0.35 0.00 -0.03 0.00 0.00 54.58 52.96 2h92 n ASN 182 Cb 0.70 0.64 0.07 0.00 -0.61 0.00 0.00 39.78 40.58 2h92 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h92 s ARG 183 N -2.32 2.46 0.22 3.52 1.70 -0.61 -4.93 118.95 118.98 2h92 s ARG 183 Ca 0.13 1.74 -0.05 0.00 -0.47 0.00 0.00 55.73 57.08 2h92 s ARG 183 Cb 0.15 -1.87 0.20 0.00 -0.57 0.00 0.00 34.95 32.85 2h92 s ARG 183 CO 0.56 -1.58 1.67 0.93 -1.08 0.00 0.00 175.30 175.80 2h92 h GLU 184 N 0.10 0.86 -5.19 3.89 4.39 -1.91 -3.37 114.58 113.34 2h92 h GLU 184 Ca -0.48 -0.29 -0.61 0.00 0.34 0.00 0.00 59.36 58.31 2h92 h GLU 184 Cb 1.29 -0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.74 2h92 h GLU 184 CO 0.52 0.92 -0.46 0.42 -1.16 0.00 0.00 179.01 179.25 2h92 s ILE 185 N -4.83 5.35 -1.17 3.13 1.01 -1.26 -4.64 121.20 118.79 2h92 s ILE 185 Ca -0.10 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 2h92 s ILE 185 Cb 0.14 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 39.10 2h92 s ILE 185 CO 0.83 0.36 0.32 -1.20 0.00 0.00 0.00 174.94 175.25 2h92 n SER 186 N 4.10 -1.56 -4.65 3.58 7.64 -1.26 -4.89 113.62 116.57 2h92 n SER 186 Ca -0.14 -1.11 -0.30 0.00 1.01 0.00 0.00 58.87 58.32 2h92 n SER 186 Cb 0.52 -1.36 0.17 0.00 -1.01 0.00 0.00 64.21 62.53 2h92 n SER 186 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2h92 s PRO 187 N -6.98 0.79 -0.01 1.43 0.04 -1.26 -4.68 135.00 124.33 2h92 s PRO 187 Ca 0.24 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2h92 s PRO 187 Cb -0.13 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 2h92 s PRO 187 CO 0.85 -2.70 1.61 -1.17 0.04 0.00 0.00 177.00 175.63 2h92 s LEU 188 N -6.61 4.33 -0.08 -3.56 2.96 -0.11 -4.78 118.68 110.83 2h92 s LEU 188 Ca 0.66 2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 56.56 2h92 s LEU 188 Cb -0.22 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.02 2h92 s LEU 188 CO 0.59 -0.88 0.84 0.00 -1.32 0.00 0.00 176.35 175.58 2h92 s ARG 189 N 3.35 0.84 0.06 1.98 1.70 -1.26 -4.61 118.95 121.02 2h92 s ARG 189 Ca 0.72 0.11 -0.31 0.00 -0.47 0.00 0.00 55.73 55.78 2h92 s ARG 189 Cb -0.35 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.37 2h92 s ARG 189 CO 0.30 -0.28 1.19 0.21 -1.08 0.00 0.00 175.30 175.64 2h92 s LYS 190 N -1.50 4.44 0.73 3.89 2.20 -1.26 -4.79 119.74 123.44 2h92 s LYS 190 Ca -0.05 1.76 -0.12 0.00 -0.36 0.00 0.00 55.97 57.21 2h92 s LYS 190 Cb -0.00 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2h92 s LYS 190 CO 0.03 -0.25 1.09 0.00 -0.36 0.00 0.00 175.35 175.86 2h92 s ALA 191 N 1.04 2.37 0.27 3.13 0.00 -1.26 -4.94 121.76 122.37 2h92 s ALA 191 Ca 0.58 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 2h92 s ALA 191 Cb -0.29 -3.27 0.37 0.00 0.00 0.00 0.00 23.12 19.93 2h92 s ALA 191 CO 0.29 -1.55 1.91 -0.44 0.00 0.00 0.00 175.76 175.97 2h92 h ASP 192 N -0.76 1.07 -0.54 0.00 3.32 -1.95 -2.59 116.42 114.96 2h92 h ASP 192 Ca -0.44 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2h92 h ASP 192 Cb 1.23 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2h92 h ASP 192 CO 0.53 0.72 0.00 -0.90 -1.72 0.00 0.00 179.24 177.87 2h92 n ASP 193 N -4.45 4.85 -4.90 6.45 5.75 -1.26 -4.96 116.55 118.03 2h92 n ASP 193 Ca 0.14 -2.65 -0.28 0.00 -0.01 0.00 0.00 54.79 51.98 2h92 n ASP 193 Cb 0.11 -0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 39.57 2h92 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2h92 s ALA 194 N -2.26 3.41 -0.16 2.12 0.00 -0.98 -4.61 121.76 119.28 2h92 s ALA 194 Ca 0.47 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 2h92 s ALA 194 Cb 0.34 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 2h92 s ALA 194 CO 0.17 -0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.68 2h92 s VAL 195 N -2.61 3.23 0.34 0.00 1.01 -0.01 -4.93 120.40 117.41 2h92 s VAL 195 Ca 0.48 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 2h92 s VAL 195 Cb -0.10 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 2h92 s VAL 195 CO 0.41 0.49 1.04 -0.89 0.00 0.00 0.00 175.10 176.15 2h92 s THR 196 N 0.72 3.74 -0.16 3.92 2.01 -1.26 -0.62 115.64 123.99 2h92 s THR 196 Ca -0.04 1.52 -0.05 0.00 0.31 0.00 0.00 61.69 63.42 2h92 s THR 196 Cb -0.15 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.54 2h92 s THR 196 CO 0.02 0.19 0.09 -0.22 -0.69 0.00 0.00 174.62 174.00 2h92 s LEU 197 N -2.04 0.34 -0.09 4.42 0.20 -0.07 -4.87 118.68 116.57 2h92 s LEU 197 Ca 0.51 -0.58 -0.24 0.00 0.69 0.00 0.00 54.13 54.51 2h92 s LEU 197 Cb -0.25 -0.24 -0.03 0.00 -0.43 0.00 0.00 46.19 45.24 2h92 s LEU 197 CO 0.32 -0.35 0.74 -0.62 -0.29 0.00 0.00 176.35 176.16 2h92 s ASP 198 N 2.14 6.99 0.00 3.68 3.68 -1.26 -1.18 116.67 130.72 2h92 s ASP 198 Ca 0.02 1.20 0.23 0.00 2.13 0.00 0.00 52.55 56.13 2h92 s ASP 198 Cb -0.16 -2.43 0.12 0.00 -1.45 0.00 0.00 42.92 39.00 2h92 s ASP 198 CO -0.09 -0.20 1.15 0.35 0.13 0.00 0.00 175.17 176.52 2h92 n THR 199 N 4.05 0.00 -1.67 1.71 -2.24 -0.25 -4.93 114.28 110.96 2h92 n THR 199 Ca 0.01 -0.10 -0.44 0.00 -2.27 0.00 0.00 64.05 61.25 2h92 n THR 199 Cb 0.51 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 2h92 n THR 199 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2h92 n THR 200 N -0.91 1.61 -3.03 4.28 -2.24 -1.26 -2.12 114.28 110.60 2h92 n THR 200 Ca 0.07 -0.40 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 2h92 n THR 200 Cb 0.38 -1.41 0.02 0.00 -2.10 0.00 0.00 70.33 67.22 2h92 n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h92 n GLY 201 N 1.36 -0.51 2.96 3.38 0.00 -1.26 -4.98 105.19 106.14 2h92 n GLY 201 Ca 0.08 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2h92 n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h92 s LYS 202 N -5.70 1.18 0.53 1.61 1.02 -0.90 -5.13 119.74 112.35 2h92 s LYS 202 Ca 0.29 -0.25 -0.22 0.00 0.02 0.00 0.00 55.97 55.81 2h92 s LYS 202 Cb -0.14 -1.06 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 2h92 s LYS 202 CO 0.36 -0.01 1.30 0.45 -0.92 0.00 0.00 175.35 176.52 2h92 s SER 203 N 0.72 5.49 0.61 2.83 0.15 -1.26 -4.79 113.70 117.44 2h92 s SER 203 Ca -0.12 2.62 0.29 0.00 0.70 0.00 0.00 55.95 59.43 2h92 s SER 203 Cb -0.14 -2.62 1.50 0.00 -1.71 0.00 0.00 66.02 63.05 2h92 s SER 203 CO 0.02 -1.40 1.91 -0.29 1.20 0.00 0.00 173.24 174.67 2h92 h ILE 204 N 1.51 0.29 0.07 6.45 -0.00 -2.00 0.14 117.51 123.98 2h92 h ILE 204 Ca -0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 64.86 64.23 2h92 h ILE 204 Cb 1.29 0.64 0.01 0.00 -0.00 0.00 0.00 36.82 38.76 2h92 h ILE 204 CO 0.58 0.00 -0.55 -0.33 -0.00 0.00 0.00 178.15 177.84 2h92 h GLU 205 N 0.00 0.25 -0.41 2.19 5.08 -1.99 -3.07 114.58 116.62 2h92 h GLU 205 Ca 0.16 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2h92 h GLU 205 Cb 1.04 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 2h92 h GLU 205 CO -0.00 1.13 0.02 0.93 -1.00 0.00 0.00 179.01 180.09 2h92 h GLU 206 N -0.46 0.13 -0.77 2.33 5.08 -1.10 0.16 114.58 119.95 2h92 h GLU 206 Ca -0.09 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2h92 h GLU 206 Cb 1.38 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2h92 h GLU 206 CO 0.11 0.09 0.49 0.28 -1.00 0.00 0.00 179.01 178.97 2h92 h VAL 207 N 0.13 1.12 -0.46 3.13 2.07 -1.45 -0.68 116.25 120.11 2h92 h VAL 207 Ca 0.20 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2h92 h VAL 207 Cb 0.28 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2h92 h VAL 207 CO -0.31 0.18 0.11 0.74 0.02 0.00 0.00 177.57 178.30 2h92 h THR 208 N 0.97 1.24 -0.81 2.57 2.02 -1.22 -2.16 112.91 115.52 2h92 h THR 208 Ca 0.31 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2h92 h THR 208 Cb -0.00 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2h92 h THR 208 CO -0.11 0.30 0.45 0.44 0.37 0.00 0.00 175.52 176.97 2h92 h ASP 209 N 0.62 1.00 0.09 4.18 3.32 -0.15 -0.81 116.42 124.67 2h92 h ASP 209 Ca 0.14 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2h92 h ASP 209 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2h92 h ASP 209 CO 0.00 0.80 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.19 2h92 h GLU 210 N 1.12 -0.12 -0.86 3.56 4.81 -0.89 0.32 114.58 122.52 2h92 h GLU 210 Ca 0.29 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2h92 h GLU 210 Cb 0.02 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2h92 h GLU 210 CO -0.05 -0.01 0.48 0.82 -0.73 0.00 0.00 179.01 179.53 2h92 h ILE 211 N -0.21 1.25 -0.69 2.32 2.04 -1.17 -1.75 117.51 119.29 2h92 h ILE 211 Ca -0.01 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 2h92 h ILE 211 Cb 0.17 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 2h92 h ILE 211 CO 0.02 0.27 0.16 -0.07 0.00 0.00 0.00 178.15 178.54 2h92 h LEU 212 N 1.19 1.04 -0.74 1.44 3.38 -0.96 -0.73 115.31 119.93 2h92 h LEU 212 Ca 0.30 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2h92 h LEU 212 Cb 0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 2h92 h LEU 212 CO -0.05 1.00 0.43 0.00 0.09 0.00 0.00 178.44 179.91 2h92 h ALA 213 N 1.13 1.01 -0.57 1.53 0.00 -0.23 0.33 119.26 122.47 2h92 h ALA 213 Ca 0.22 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2h92 h ALA 213 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2h92 h ALA 213 CO 0.00 0.13 0.03 0.52 0.00 0.00 0.00 179.25 179.94 2h92 h MET 214 N 0.79 0.98 -0.81 0.00 2.86 -0.77 -3.05 114.93 114.93 2h92 h MET 214 Ca 0.33 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2h92 h MET 214 Cb 0.19 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2h92 h MET 214 CO -0.18 0.96 0.42 0.28 1.06 0.00 0.00 176.91 179.45 2h92 h VAL 215 N 0.87 1.25 0.00 -2.22 2.07 0.03 -1.94 116.25 116.31 2h92 h VAL 215 Ca 0.16 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2h92 h VAL 215 Cb 0.50 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2h92 h VAL 215 CO 0.02 0.28 -0.01 -1.28 0.02 0.00 0.00 177.57 176.61 2h92 h SER 216 N 1.14 0.00 0.51 0.57 0.87 -0.88 0.41 113.55 116.17 2h92 h SER 216 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2h92 h SER 216 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2h92 h SER 216 CO -0.04 0.01 -0.00 0.00 -0.53 0.00 0.00 176.83 176.27 2h92 n GLN 217 N -4.10 0.49 0.00 2.24 6.02 -0.73 -5.12 117.38 116.18 2h92 n GLN 217 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2h92 n GLN 217 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 2h92 n GLN 217 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16