#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b48 s ALA 3 N 0.00 3.36 -0.70 0.00 0.00 -1.26 -5.07 121.76 118.09 1b48 s ALA 3 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1b48 s ALA 3 Cb 0.00 -1.36 0.17 0.00 0.00 0.00 0.00 23.12 21.94 1b48 s ALA 3 CO 0.00 0.68 0.51 -1.59 0.00 0.00 0.00 175.76 175.36 1b48 s LYS 4 N -1.83 2.64 -0.92 0.00 0.00 -1.26 -5.00 119.74 113.37 1b48 s LYS 4 Ca 0.22 -2.93 -0.31 0.00 0.00 0.00 0.00 55.97 52.96 1b48 s LYS 4 Cb -0.12 -3.66 -0.20 0.00 0.00 0.00 0.00 37.83 33.86 1b48 s LYS 4 CO 0.14 -1.21 2.65 -2.30 0.00 0.00 0.00 175.35 174.62 1b48 n PRO 5 N 2.78 0.14 -4.19 1.78 -0.02 -1.26 -4.73 135.00 129.51 1b48 n PRO 5 Ca 0.13 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 1b48 n PRO 5 Cb 0.36 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1b48 n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1b48 s LYS 6 N 8.81 3.63 -0.10 -0.52 2.20 -0.94 -2.24 119.74 130.57 1b48 s LYS 6 Ca 1.31 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 1b48 s LYS 6 Cb -1.13 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 32.17 1b48 s LYS 6 CO 0.47 0.41 -0.13 -0.48 -0.36 0.00 0.00 175.35 175.25 1b48 s LEU 7 N -0.03 1.61 -0.01 5.43 2.34 -1.18 -0.95 118.68 125.88 1b48 s LEU 7 Ca 0.05 -0.38 -0.11 0.00 0.06 0.00 0.00 54.13 53.75 1b48 s LEU 7 Cb -0.12 -1.00 -0.05 0.00 -0.56 0.00 0.00 46.19 44.46 1b48 s LEU 7 CO 0.02 -0.01 0.32 -0.31 -1.06 0.00 0.00 176.35 175.31 1b48 s TYR 8 N 1.07 3.64 0.00 3.48 1.51 -0.84 -3.64 117.35 122.58 1b48 s TYR 8 Ca -0.06 0.78 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 1b48 s TYR 8 Cb -0.15 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1b48 s TYR 8 CO -0.02 0.63 0.00 0.98 -1.11 0.00 0.00 175.55 176.03 1b48 n TYR 9 N 1.52 0.00 -0.78 2.71 9.36 -1.26 -3.18 117.16 125.53 1b48 n TYR 9 Ca -0.13 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.79 1b48 n TYR 9 Cb 0.53 0.00 0.25 0.00 -0.63 0.00 0.00 39.34 39.49 1b48 n TYR 9 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1b48 s PHE 10 N -2.00 0.69 -1.12 2.98 0.08 -1.26 -2.93 117.98 114.41 1b48 s PHE 10 Ca 0.00 0.76 -0.12 0.00 0.12 0.00 0.00 56.93 57.69 1b48 s PHE 10 Cb 0.00 -3.18 0.22 0.00 -0.57 0.00 0.00 43.02 39.49 1b48 s PHE 10 CO 0.00 -4.02 1.21 1.21 -0.10 0.00 0.00 175.22 173.52 1b48 s ASN 11 N -3.29 7.15 0.00 1.36 2.47 -1.26 -4.85 114.94 116.52 1b48 s ASN 11 Ca 0.69 -3.22 0.00 0.00 0.42 0.00 0.00 52.86 50.75 1b48 s ASN 11 Cb -0.16 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1b48 s ASN 11 CO 0.59 -0.53 0.00 0.61 -3.72 0.00 0.00 177.10 174.05 1b48 n GLY 12 N 3.48 -1.34 0.00 1.21 0.00 -1.26 -4.99 105.19 102.29 1b48 n GLY 12 Ca 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1b48 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b48 n ARG 13 N -0.07 0.00 0.00 1.61 5.12 -1.26 -4.60 116.66 117.46 1b48 n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1b48 n ARG 13 Cb 0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 1b48 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b48 n GLY 14 N 0.00 -0.04 0.00 -0.13 0.00 -1.26 -1.78 105.19 101.98 1b48 n GLY 14 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.35 1b48 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b48 n ARG 15 N -0.75 0.62 -0.02 1.61 1.74 -1.26 -2.43 116.66 116.17 1b48 n ARG 15 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1b48 n ARG 15 Cb 0.00 -1.18 -0.14 0.00 -1.02 0.00 0.00 32.46 30.12 1b48 n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1b48 n MET 16 N -0.68 0.65 0.23 5.56 1.56 -1.21 -4.62 117.12 118.61 1b48 n MET 16 Ca 0.05 -0.15 -0.15 0.00 -0.27 0.00 0.00 57.70 57.18 1b48 n MET 16 Cb 0.02 -1.44 -0.08 0.00 2.15 0.00 0.00 33.22 33.87 1b48 n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1b48 h GLU 17 N 0.00 -0.79 -0.37 2.12 4.57 -1.00 -1.72 114.58 117.39 1b48 h GLU 17 Ca -0.06 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1b48 h GLU 17 Cb 1.02 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1b48 h GLU 17 CO 0.00 -0.52 0.41 0.77 -1.18 0.00 0.00 179.01 178.49 1b48 h SER 18 N -0.82 0.00 0.01 1.04 0.02 -1.83 0.21 113.55 112.19 1b48 h SER 18 Ca -0.05 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.66 1b48 h SER 18 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 1b48 h SER 18 CO -0.08 0.00 -0.93 0.40 -1.14 0.00 0.00 176.83 175.08 1b48 h ILE 19 N 0.00 1.30 0.83 3.27 2.04 -1.62 -2.88 117.51 120.45 1b48 h ILE 19 Ca 0.17 -2.18 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 1b48 h ILE 19 Cb 1.00 2.24 0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1b48 h ILE 19 CO -0.00 0.68 -0.40 0.03 0.00 0.00 0.00 178.15 178.45 1b48 h ARG 20 N 0.42 -1.08 -0.35 2.37 3.08 0.24 -2.61 114.38 116.45 1b48 h ARG 20 Ca -0.10 0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1b48 h ARG 20 Cb 1.57 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.82 1b48 h ARG 20 CO 0.18 -0.71 -0.27 -1.49 -1.07 0.00 0.00 179.97 176.61 1b48 h TRP 21 N -1.16 -0.86 -1.04 3.04 4.06 -1.44 -0.11 115.95 118.45 1b48 h TRP 21 Ca -0.11 0.05 0.29 0.00 2.06 0.00 0.00 58.89 61.18 1b48 h TRP 21 Cb 0.86 0.42 -0.12 0.00 -1.00 0.00 0.00 29.16 29.32 1b48 h TRP 21 CO -0.01 -0.20 0.63 1.25 -3.56 0.00 0.00 178.44 176.55 1b48 h LEU 22 N -0.08 0.54 -0.16 -4.49 6.46 -1.51 0.19 115.31 116.25 1b48 h LEU 22 Ca 0.06 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1b48 h LEU 22 Cb 0.23 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1b48 h LEU 22 CO -0.37 0.01 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.37 1b48 h LEU 23 N 0.42 0.30 0.36 2.25 3.38 -0.67 -1.74 115.31 119.61 1b48 h LEU 23 Ca 0.67 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1b48 h LEU 23 Cb 1.54 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1b48 h LEU 23 CO -0.46 0.58 -0.45 0.00 0.09 0.00 0.00 178.44 178.20 1b48 h ALA 24 N 0.74 -0.95 -0.35 1.53 0.00 0.74 -1.00 119.26 119.97 1b48 h ALA 24 Ca 0.04 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1b48 h ALA 24 Cb 0.44 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1b48 h ALA 24 CO 0.01 -1.08 0.29 0.00 0.00 0.00 0.00 179.25 178.48 1b48 h ALA 25 N -0.54 2.17 0.00 0.00 0.00 -1.26 0.85 119.26 120.48 1b48 h ALA 25 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b48 h ALA 25 Cb 0.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1b48 h ALA 25 CO -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1b48 n ALA 26 N -2.49 2.22 -3.22 0.00 0.00 -0.43 -4.84 120.51 111.76 1b48 n ALA 26 Ca 0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1b48 n ALA 26 Cb 0.47 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.64 1b48 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b48 n GLY 27 N 0.37 -0.19 3.17 0.00 0.00 0.30 -5.01 105.19 103.83 1b48 n GLY 27 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1b48 n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b48 s VAL 28 N -3.26 1.66 -0.14 1.61 -7.23 -0.90 -5.05 120.40 107.08 1b48 s VAL 28 Ca 0.21 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.33 1b48 s VAL 28 Cb -0.09 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1b48 s VAL 28 CO 0.56 0.47 0.62 -1.61 -0.31 0.00 0.00 175.10 174.84 1b48 s GLU 29 N 0.06 4.31 -0.00 4.82 2.02 -1.26 -4.35 118.70 124.29 1b48 s GLU 29 Ca -0.06 0.67 0.03 0.00 0.02 0.00 0.00 54.97 55.62 1b48 s GLU 29 Cb -0.13 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 1b48 s GLU 29 CO 0.03 -0.06 -0.09 -0.59 0.02 0.00 0.00 175.26 174.57 1b48 s PHE 30 N 1.30 0.77 0.55 1.61 -0.12 -1.26 -4.59 117.98 116.24 1b48 s PHE 30 Ca 0.31 -0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 1b48 s PHE 30 Cb -0.16 -0.50 0.06 0.00 -0.63 0.00 0.00 43.02 41.80 1b48 s PHE 30 CO 0.13 -0.01 0.75 -1.83 -0.05 0.00 0.00 175.22 174.21 1b48 s GLU 31 N -0.24 2.39 -0.22 1.99 1.03 -0.95 -5.02 118.70 117.68 1b48 s GLU 31 Ca 0.03 -1.36 -0.27 0.00 0.03 0.00 0.00 54.97 53.40 1b48 s GLU 31 Cb -0.03 -2.62 0.11 0.00 -0.80 0.00 0.00 34.13 30.78 1b48 s GLU 31 CO -0.00 -0.76 0.92 -1.83 -1.33 0.00 0.00 175.26 172.26 1b48 s GLU 32 N -4.65 0.65 0.00 -4.83 -1.05 -1.26 -3.13 118.70 104.43 1b48 s GLU 32 Ca 0.60 0.53 0.00 0.00 -0.15 0.00 0.00 54.97 55.95 1b48 s GLU 32 Cb -0.07 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1b48 s GLU 32 CO 0.38 -0.13 0.00 0.39 0.95 0.00 0.00 175.26 176.85 1b48 n GLU 33 N 1.81 2.17 -3.81 -4.83 -0.58 -1.24 -4.92 120.64 109.24 1b48 n GLU 33 Ca -0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.56 1b48 n GLU 33 Cb 0.56 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.43 1b48 n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1b48 s PHE 34 N 0.11 -0.07 -0.06 -0.32 0.08 -1.26 -4.77 117.98 111.70 1b48 s PHE 34 Ca 0.00 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 1b48 s PHE 34 Cb 0.00 0.70 0.03 0.00 -0.57 0.00 0.00 43.02 43.18 1b48 s PHE 34 CO 0.00 -1.07 0.02 -0.51 -0.10 0.00 0.00 175.22 173.56 1b48 s LEU 35 N -3.04 0.56 0.05 -0.37 1.02 -1.15 -4.76 118.68 110.98 1b48 s LEU 35 Ca 0.14 -0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.26 1b48 s LEU 35 Cb -0.03 -0.32 0.00 0.00 0.02 0.00 0.00 46.19 45.86 1b48 s LEU 35 CO 0.06 -0.19 0.00 -0.62 0.02 0.00 0.00 176.35 175.61 1b48 n GLU 36 N 5.02 0.00 -3.63 1.70 4.71 -1.26 -4.51 120.64 122.67 1b48 n GLU 36 Ca -0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.71 1b48 n GLU 36 Cb 0.50 -0.33 -0.05 0.00 -1.01 0.00 0.00 31.44 30.55 1b48 n GLU 36 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1b48 s THR 37 N -2.00 5.15 0.60 2.62 -1.32 -1.26 -4.64 115.64 114.79 1b48 s THR 37 Ca 0.00 0.35 0.30 0.00 -1.21 0.00 0.00 61.69 61.12 1b48 s THR 37 Cb 0.00 -3.62 0.36 0.00 -1.51 0.00 0.00 72.50 67.73 1b48 s THR 37 CO 0.00 0.29 2.04 -0.09 -2.21 0.00 0.00 174.62 174.65 1b48 h ARG 38 N 3.72 0.00 0.01 7.08 2.43 -1.79 0.25 114.38 126.07 1b48 h ARG 38 Ca -0.49 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.44 1b48 h ARG 38 Cb 1.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1b48 h ARG 38 CO 0.67 0.00 -1.21 0.93 -1.51 0.00 0.00 179.97 178.85 1b48 h GLU 39 N 0.00 0.02 -0.75 0.20 3.07 -1.93 -3.21 114.58 111.98 1b48 h GLU 39 Ca 0.10 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1b48 h GLU 39 Cb 0.66 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.53 1b48 h GLU 39 CO -0.00 0.88 0.46 1.96 -1.40 0.00 0.00 179.01 180.91 1b48 h GLN 40 N 0.01 0.84 0.39 2.33 4.20 -0.90 -1.48 115.11 120.49 1b48 h GLN 40 Ca -0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1b48 h GLN 40 Cb 1.85 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1b48 h GLN 40 CO 0.12 0.55 -0.35 -0.92 -0.67 0.00 0.00 178.83 177.56 1b48 h TYR 41 N 0.86 -0.97 -1.07 2.96 5.03 -1.59 -2.95 116.97 119.24 1b48 h TYR 41 Ca 0.32 0.00 0.34 0.00 2.58 0.00 0.00 58.73 61.97 1b48 h TYR 41 Cb 0.10 0.37 -0.14 0.00 1.55 0.00 0.00 36.73 38.62 1b48 h TYR 41 CO -0.05 -0.48 0.64 0.93 -1.32 0.00 0.00 178.16 177.89 1b48 h GLU 42 N -0.73 0.27 0.00 1.82 5.08 -1.43 0.50 114.58 120.09 1b48 h GLU 42 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1b48 h GLU 42 Cb 0.62 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1b48 h GLU 42 CO -0.03 0.18 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 1b48 n LYS 43 N -4.92 0.00 0.25 2.33 4.76 -0.61 -1.23 118.16 118.74 1b48 n LYS 43 Ca 0.32 0.49 0.18 0.00 -2.87 0.00 0.00 58.31 56.43 1b48 n LYS 43 Cb 1.07 -1.41 0.90 0.00 -1.84 0.00 0.00 35.03 33.75 1b48 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b48 h MET 44 N 0.00 0.00 0.08 1.97 -0.00 -1.44 0.26 114.93 115.80 1b48 h MET 44 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1b48 h MET 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1b48 h MET 44 CO 0.00 0.00 -0.04 0.37 -0.00 0.00 0.00 176.91 177.24 1b48 h GLN 45 N 0.00 -0.10 0.00 -0.10 5.75 -0.80 -2.83 115.11 117.02 1b48 h GLN 45 Ca 0.06 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1b48 h GLN 45 Cb 0.44 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1b48 h GLN 45 CO -0.00 -0.07 0.00 1.63 -2.65 0.00 0.00 178.83 177.74 1b48 n LYS 46 N -2.34 0.03 0.19 1.69 5.02 -0.37 -0.99 118.16 121.39 1b48 n LYS 46 Ca -0.01 0.35 0.05 0.00 -2.02 0.00 0.00 58.31 56.68 1b48 n LYS 46 Cb 0.04 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 33.89 1b48 n LYS 46 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1b48 h ASP 47 N 0.00 0.00 -1.67 4.39 5.19 -0.26 -3.48 116.42 120.59 1b48 h ASP 47 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1b48 h ASP 47 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1b48 h ASP 47 CO 0.00 0.38 0.00 0.61 -3.12 0.00 0.00 179.24 177.11 1b48 n GLY 48 N 0.20 0.18 1.85 2.75 0.00 -0.16 -5.07 105.19 104.95 1b48 n GLY 48 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1b48 n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b48 n HIS 49 N -0.54 -1.95 -1.81 1.61 8.25 -1.25 -5.01 115.22 114.52 1b48 n HIS 49 Ca 0.00 0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 57.53 1b48 n HIS 49 Cb 0.26 0.50 -0.05 0.00 1.12 0.00 0.00 29.99 31.82 1b48 n HIS 49 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1b48 s LEU 50 N -6.76 3.15 0.17 2.41 1.02 -1.26 -4.84 118.68 112.57 1b48 s LEU 50 Ca 0.00 0.09 -0.27 0.00 0.02 0.00 0.00 54.13 53.97 1b48 s LEU 50 Cb 0.00 -2.54 0.01 0.00 0.02 0.00 0.00 46.19 43.68 1b48 s LEU 50 CO 0.00 -3.03 1.55 -0.07 0.02 0.00 0.00 176.35 174.82 1b48 h LEU 51 N 19.29 -1.85 -3.39 1.79 3.38 -1.92 0.45 115.31 133.07 1b48 h LEU 51 Ca -0.07 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1b48 h LEU 51 Cb 1.09 0.84 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1b48 h LEU 51 CO 1.14 -0.29 0.00 0.49 0.09 0.00 0.00 178.44 179.88 1b48 n PHE 52 N -5.34 1.87 -3.03 1.13 3.72 -1.26 -4.92 117.46 109.63 1b48 n PHE 52 Ca 0.03 -0.68 -0.14 0.00 -0.05 0.00 0.00 57.45 56.61 1b48 n PHE 52 Cb 0.32 -0.41 0.04 0.00 -0.94 0.00 0.00 39.48 38.48 1b48 n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b48 n GLY 53 N 0.83 0.02 3.24 1.37 0.00 0.16 -5.04 105.19 105.77 1b48 n GLY 53 Ca 0.27 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1b48 n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b48 s GLN 54 N -5.62 0.63 0.38 1.61 -2.07 -1.26 -5.03 119.66 108.30 1b48 s GLN 54 Ca 0.30 -0.07 0.07 0.00 -1.82 0.00 0.00 55.36 53.85 1b48 s GLN 54 Cb -0.13 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.06 1b48 s GLN 54 CO 0.38 -0.16 0.44 0.14 -1.32 0.00 0.00 175.29 174.77 1b48 s VAL 55 N -1.06 3.24 1.03 3.63 -7.23 -1.26 -4.77 120.40 113.98 1b48 s VAL 55 Ca -0.11 -1.17 -0.15 0.00 -1.81 0.00 0.00 61.98 58.74 1b48 s VAL 55 Cb -0.05 -3.12 0.08 0.00 0.56 0.00 0.00 36.38 33.85 1b48 s VAL 55 CO 0.04 -0.07 0.31 -0.81 -0.31 0.00 0.00 175.10 174.26 1b48 n PRO 56 N -1.63 -0.94 -3.83 4.82 -0.04 -1.26 -4.94 135.00 127.18 1b48 n PRO 56 Ca 0.03 -0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 63.13 1b48 n PRO 56 Cb 0.60 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 1b48 n PRO 56 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1b48 s LEU 57 N -1.71 1.42 -0.29 1.53 2.96 -1.19 -4.41 118.68 116.99 1b48 s LEU 57 Ca 0.57 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.63 1b48 s LEU 57 Cb -0.18 0.59 0.10 0.00 0.50 0.00 0.00 46.19 47.21 1b48 s LEU 57 CO 0.66 -0.14 0.13 -0.69 -1.32 0.00 0.00 176.35 174.99 1b48 s VAL 58 N -0.31 -0.07 -0.40 1.68 1.01 -0.90 -1.98 120.40 119.43 1b48 s VAL 58 Ca -0.04 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 1b48 s VAL 58 Cb -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1b48 s VAL 58 CO 0.01 -0.73 1.80 -0.70 0.00 0.00 0.00 175.10 175.47 1b48 s GLU 59 N 2.08 3.16 -0.18 2.72 2.12 -0.13 -3.27 118.70 125.20 1b48 s GLU 59 Ca 0.09 1.20 -0.21 0.00 0.36 0.00 0.00 54.97 56.41 1b48 s GLU 59 Cb -0.16 -4.24 0.06 0.00 0.26 0.00 0.00 34.13 30.05 1b48 s GLU 59 CO -0.36 -2.07 0.57 -1.50 -0.54 0.00 0.00 175.26 171.36 1b48 s ILE 60 N 7.40 0.00 -1.22 -3.70 2.07 -0.58 -2.22 121.20 122.96 1b48 s ILE 60 Ca 0.76 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.96 1b48 s ILE 60 Cb -0.19 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1b48 s ILE 60 CO 0.30 -0.02 0.00 0.47 -1.91 0.00 0.00 174.94 173.78 1b48 n ASP 61 N 2.40 -5.61 0.00 4.50 9.92 -1.26 -0.99 116.55 125.51 1b48 n ASP 61 Ca -0.15 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1b48 n ASP 61 Cb 0.56 -4.12 0.00 0.00 -0.64 0.00 0.00 41.12 36.92 1b48 n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b48 n GLY 62 N 0.06 3.16 3.88 0.44 0.00 -1.26 -5.03 105.19 106.43 1b48 n GLY 62 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1b48 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b48 s MET 63 N -0.43 3.24 -0.49 1.61 -1.94 -0.16 -5.06 119.30 116.08 1b48 s MET 63 Ca 0.00 0.58 0.03 0.00 -1.71 0.00 0.00 55.69 54.59 1b48 s MET 63 Cb 0.00 -2.07 0.14 0.00 2.01 0.00 0.00 34.83 34.91 1b48 s MET 63 CO 0.00 -0.77 0.27 -1.64 -0.01 0.00 0.00 175.02 172.87 1b48 s MET 64 N -5.24 1.56 0.35 2.03 -1.94 -1.26 -1.53 119.30 113.27 1b48 s MET 64 Ca 0.56 -2.31 -0.28 0.00 -1.71 0.00 0.00 55.69 51.96 1b48 s MET 64 Cb -0.11 -2.65 -0.10 0.00 2.01 0.00 0.00 34.83 33.98 1b48 s MET 64 CO 0.52 -1.17 1.25 -0.51 -0.01 0.00 0.00 175.02 175.10 1b48 s LEU 65 N -0.01 4.37 0.00 -0.03 1.43 -1.20 -4.87 118.68 118.37 1b48 s LEU 65 Ca 0.19 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1b48 s LEU 65 Cb -0.21 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1b48 s LEU 65 CO -0.02 -0.56 0.00 0.35 0.23 0.00 0.00 176.35 176.35 1b48 n THR 66 N 0.61 0.00 -3.97 5.49 -2.24 -1.26 -2.11 114.28 110.80 1b48 n THR 66 Ca 0.01 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 1b48 n THR 66 Cb 0.43 0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 69.18 1b48 n THR 66 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b48 s GLN 67 N -1.04 3.12 0.00 -0.78 -1.52 -1.26 -4.48 119.66 113.71 1b48 s GLN 67 Ca 0.00 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 1b48 s GLN 67 Cb 0.00 -2.91 0.00 0.00 -0.22 0.00 0.00 33.01 29.88 1b48 s GLN 67 CO 0.00 -0.26 0.04 2.41 -0.25 0.00 0.00 175.29 177.22 1b48 n THR 68 N 4.72 0.00 0.29 -0.19 -1.04 -1.26 -0.40 114.28 116.40 1b48 n THR 68 Ca -0.18 0.09 0.14 0.00 -2.04 0.00 0.00 64.05 62.06 1b48 n THR 68 Cb 0.49 -0.14 0.88 0.00 -1.82 0.00 0.00 70.33 69.74 1b48 n THR 68 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1b48 h ARG 69 N 0.00 0.00 -0.73 -2.82 3.08 -1.97 0.25 114.38 112.19 1b48 h ARG 69 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1b48 h ARG 69 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1b48 h ARG 69 CO 0.00 0.00 0.23 0.00 -1.07 0.00 0.00 179.97 179.13 1b48 h ALA 70 N 1.99 1.02 0.39 0.04 0.00 -1.15 -2.27 119.26 119.28 1b48 h ALA 70 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1b48 h ALA 70 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1b48 h ALA 70 CO -0.00 0.66 -0.19 0.82 0.00 0.00 0.00 179.25 180.54 1b48 h ILE 71 N 1.09 0.42 -0.44 0.00 2.04 0.14 -2.88 117.51 117.89 1b48 h ILE 71 Ca 0.24 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1b48 h ILE 71 Cb 0.30 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 1b48 h ILE 71 CO -0.01 0.08 -0.34 -0.07 0.00 0.00 0.00 178.15 177.81 1b48 h LEU 72 N -0.97 -1.15 -0.79 1.44 3.38 -1.22 -0.34 115.31 115.66 1b48 h LEU 72 Ca -0.05 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1b48 h LEU 72 Cb 0.54 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1b48 h LEU 72 CO 0.09 -0.32 0.45 0.28 0.09 0.00 0.00 178.44 179.02 1b48 h SER 73 N -0.24 0.64 0.22 -0.43 0.02 -1.49 0.11 113.55 112.37 1b48 h SER 73 Ca 0.18 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1b48 h SER 73 Cb 0.55 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1b48 h SER 73 CO -0.57 0.37 -0.16 0.22 -1.14 0.00 0.00 176.83 175.55 1b48 h TYR 74 N 0.76 -0.42 0.00 3.45 3.20 -0.97 -2.49 116.97 120.49 1b48 h TYR 74 Ca 0.38 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1b48 h TYR 74 Cb 0.34 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1b48 h TYR 74 CO -0.07 -0.25 0.00 1.28 -1.64 0.00 0.00 178.16 177.48 1b48 n LEU 75 N -5.29 0.00 -0.26 2.82 4.32 -0.26 -1.63 117.00 116.71 1b48 n LEU 75 Ca -0.09 0.69 0.11 0.00 -0.02 0.00 0.00 56.01 56.70 1b48 n LEU 75 Cb 0.20 -0.19 0.21 0.00 -1.62 0.00 0.00 43.42 42.02 1b48 n LEU 75 CO 0.32 -0.19 0.58 0.00 -1.22 0.00 0.00 177.39 176.89 1b48 n ALA 76 N -1.29 0.37 -0.00 -1.18 0.00 0.29 0.35 120.51 119.04 1b48 n ALA 76 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 54.11 1b48 n ALA 76 Cb 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1b48 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b48 h ALA 77 N 1.48 0.04 -0.54 0.00 0.00 -1.37 0.71 119.26 119.57 1b48 h ALA 77 Ca 0.44 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1b48 h ALA 77 Cb 0.91 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1b48 h ALA 77 CO -0.70 -0.31 0.07 -0.22 0.00 0.00 0.00 179.25 178.09 1b48 h LYS 78 N -0.22 0.19 -2.26 0.00 3.64 0.87 -2.40 116.57 116.39 1b48 h LYS 78 Ca 0.01 -0.01 -0.77 0.00 -1.27 0.00 0.00 60.65 58.61 1b48 h LYS 78 Cb 0.29 -0.04 -0.23 0.00 -0.41 0.00 0.00 32.23 31.83 1b48 h LYS 78 CO 0.00 0.13 1.28 0.66 -2.27 0.00 0.00 179.45 179.25 1b48 n TYR 79 N -5.16 2.68 -0.81 1.91 4.01 -0.62 -4.91 117.16 114.26 1b48 n TYR 79 Ca 0.07 -2.52 0.00 0.00 -0.16 0.00 0.00 57.90 55.29 1b48 n TYR 79 Cb 0.29 -1.34 0.00 0.00 -0.31 0.00 0.00 39.34 37.98 1b48 n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1b48 n ASN 80 N 0.29 0.00 -1.37 7.72 4.13 -0.90 -4.63 115.26 120.50 1b48 n ASN 80 Ca 0.52 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.77 1b48 n ASN 80 Cb 0.27 0.00 0.26 0.00 -1.54 0.00 0.00 39.78 38.77 1b48 n ASN 80 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1b48 n LEU 81 N -0.17 4.77 -2.23 3.41 4.32 0.23 -4.48 117.00 122.86 1b48 n LEU 81 Ca 0.00 -3.30 -0.27 0.00 -0.02 0.00 0.00 56.01 52.42 1b48 n LEU 81 Cb 0.00 -0.64 0.02 0.00 -1.62 0.00 0.00 43.42 41.18 1b48 n LEU 81 CO 0.00 0.88 0.38 0.00 -1.22 0.00 0.00 177.39 177.43 1b48 n TYR 82 N -0.57 3.00 -4.97 -1.77 4.19 -1.19 -1.00 117.16 114.85 1b48 n TYR 82 Ca 0.32 -2.56 0.00 0.00 3.31 0.00 0.00 57.90 58.97 1b48 n TYR 82 Cb 1.12 -0.42 0.00 0.00 0.49 0.00 0.00 39.34 40.53 1b48 n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1b48 n GLY 83 N -0.66 0.37 1.20 2.98 0.00 -1.26 -4.50 105.19 103.32 1b48 n GLY 83 Ca 0.45 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1b48 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b48 n LYS 84 N -0.54 0.00 -3.39 1.61 5.02 -1.26 -4.96 118.16 114.63 1b48 n LYS 84 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1b48 n LYS 84 Cb 0.00 -0.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.78 1b48 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1b48 s ASP 85 N -5.32 6.41 0.44 4.39 1.47 -1.26 -4.95 116.67 117.85 1b48 s ASP 85 Ca 0.00 0.63 0.21 0.00 1.18 0.00 0.00 52.55 54.57 1b48 s ASP 85 Cb 0.00 -2.11 1.17 0.00 -0.34 0.00 0.00 42.92 41.64 1b48 s ASP 85 CO 0.00 -0.19 1.85 -0.07 0.68 0.00 0.00 175.17 177.44 1b48 h LEU 86 N 1.60 0.33 -0.99 2.11 4.07 -1.98 -1.54 115.31 118.92 1b48 h LEU 86 Ca -0.48 0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.57 1b48 h LEU 86 Cb 1.19 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.85 1b48 h LEU 86 CO 0.66 0.12 0.64 0.11 -1.08 0.00 0.00 178.44 178.89 1b48 h LYS 87 N 0.32 1.17 0.13 1.13 1.79 -2.01 -2.99 116.57 116.11 1b48 h LYS 87 Ca 0.48 -0.07 -0.29 0.00 -2.18 0.00 0.00 60.65 58.59 1b48 h LYS 87 Cb 1.34 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1b48 h LYS 87 CO -0.16 0.77 -1.46 0.93 -1.08 0.00 0.00 179.45 178.45 1b48 h GLU 88 N 1.20 0.28 -0.99 3.15 5.08 -1.70 -3.36 114.58 118.24 1b48 h GLU 88 Ca 0.41 -0.47 0.27 0.00 -1.00 0.00 0.00 59.36 58.57 1b48 h GLU 88 Cb 0.09 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1b48 h GLU 88 CO -0.15 1.23 0.68 -0.09 -1.00 0.00 0.00 179.01 179.68 1b48 h ARG 89 N -0.22 0.16 -0.07 2.33 2.43 -1.43 0.26 114.38 117.84 1b48 h ARG 89 Ca -0.31 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.70 1b48 h ARG 89 Cb 1.82 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1b48 h ARG 89 CO 0.09 0.11 -0.65 0.28 -1.51 0.00 0.00 179.97 178.28 1b48 h VAL 90 N 0.17 1.39 -0.48 0.20 2.07 -1.67 -2.30 116.25 115.63 1b48 h VAL 90 Ca 0.50 -2.06 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 1b48 h VAL 90 Cb 1.67 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 1b48 h VAL 90 CO -0.10 0.61 -0.07 0.03 0.02 0.00 0.00 177.57 178.06 1b48 h ARG 91 N 0.20 0.89 0.29 1.57 3.08 -0.65 0.11 114.38 119.87 1b48 h ARG 91 Ca -0.01 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1b48 h ARG 91 Cb 1.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1b48 h ARG 91 CO 0.10 0.96 -0.24 0.82 -1.07 0.00 0.00 179.97 180.55 1b48 h ILE 92 N 0.74 0.00 -0.78 2.04 2.04 -1.26 -0.98 117.51 119.31 1b48 h ILE 92 Ca 0.13 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.16 1b48 h ILE 92 Cb 0.60 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 1b48 h ILE 92 CO 0.04 0.00 0.24 0.44 0.00 0.00 0.00 178.15 178.87 1b48 h ASP 93 N -0.52 0.12 -0.34 1.72 3.32 -1.39 0.61 116.42 119.94 1b48 h ASP 93 Ca -0.04 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1b48 h ASP 93 Cb 0.43 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1b48 h ASP 93 CO 0.00 -0.01 0.23 0.24 -1.72 0.00 0.00 179.24 177.98 1b48 h MET 94 N 0.33 0.44 0.12 3.56 2.86 -0.59 -0.67 114.93 120.98 1b48 h MET 94 Ca 0.45 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.06 1b48 h MET 94 Cb 0.78 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1b48 h MET 94 CO -0.50 0.29 -0.06 1.88 1.06 0.00 0.00 176.91 179.58 1b48 h TYR 95 N 0.46 -0.14 -1.02 -0.22 0.05 0.14 -3.26 116.97 112.97 1b48 h TYR 95 Ca 0.13 -0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.15 1b48 h TYR 95 Cb -0.05 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 37.64 1b48 h TYR 95 CO -0.00 0.25 0.64 0.00 -1.05 0.00 0.00 178.16 178.01 1b48 h ALA 96 N -0.53 2.07 -0.51 3.88 0.00 -0.00 0.92 119.26 125.08 1b48 h ALA 96 Ca -0.02 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1b48 h ALA 96 Cb 0.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1b48 h ALA 96 CO 0.03 -0.48 -0.10 0.22 0.00 0.00 0.00 179.25 178.91 1b48 h ASP 97 N 0.48 0.95 0.21 0.00 1.82 -1.24 -0.25 116.42 118.39 1b48 h ASP 97 Ca 0.60 -0.30 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1b48 h ASP 97 Cb 1.36 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1b48 h ASP 97 CO -0.34 1.06 -0.10 1.23 -1.61 0.00 0.00 179.24 179.47 1b48 h GLY 98 N 0.96 -0.30 0.95 -0.78 0.00 -0.87 -1.44 103.07 101.60 1b48 h GLY 98 Ca 0.14 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 1b48 h GLY 98 CO 0.04 -0.11 0.01 -0.91 0.00 0.00 0.00 176.54 175.57 1b48 h THR 99 N -0.56 1.04 -0.67 4.70 1.35 -1.45 -2.15 112.91 115.17 1b48 h THR 99 Ca -0.03 -0.11 0.13 0.00 -0.55 0.00 0.00 66.41 65.85 1b48 h THR 99 Cb 0.42 1.10 -0.13 0.00 -1.73 0.00 0.00 68.15 67.81 1b48 h THR 99 CO 0.05 0.03 -0.17 -0.61 -0.25 0.00 0.00 175.52 174.57 1b48 h GLN 100 N -0.03 -0.00 -0.88 4.72 5.75 -1.03 0.73 115.11 124.36 1b48 h GLN 100 Ca 0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1b48 h GLN 100 Cb 0.05 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.52 1b48 h GLN 100 CO -0.00 -0.00 0.52 -0.44 -2.65 0.00 0.00 178.83 176.26 1b48 h ASP 101 N -0.00 0.76 0.19 -0.69 5.19 -0.78 0.12 116.42 121.22 1b48 h ASP 101 Ca 0.32 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1b48 h ASP 101 Cb 0.49 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1b48 h ASP 101 CO -0.69 0.43 -0.09 0.25 -3.12 0.00 0.00 179.24 176.02 1b48 h LEU 102 N 0.87 -0.22 -1.33 1.55 5.85 0.92 -2.36 115.31 120.58 1b48 h LEU 102 Ca 0.42 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1b48 h LEU 102 Cb 0.37 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1b48 h LEU 102 CO -0.24 0.09 0.38 0.24 -0.34 0.00 0.00 178.44 178.57 1b48 h MET 103 N -0.55 0.83 -0.57 1.25 2.86 -0.23 -2.74 114.93 115.79 1b48 h MET 103 Ca -0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1b48 h MET 103 Cb 0.41 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1b48 h MET 103 CO 0.04 0.58 0.34 1.98 1.06 0.00 0.00 176.91 180.91 1b48 h MET 104 N 0.85 0.77 -0.41 1.72 1.85 -0.65 -1.65 114.93 117.41 1b48 h MET 104 Ca 0.22 -0.07 0.04 0.00 -0.61 0.00 0.00 59.70 59.28 1b48 h MET 104 Cb -0.05 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 31.80 1b48 h MET 104 CO -0.04 0.56 0.28 0.52 -0.40 0.00 0.00 176.91 177.82 1b48 h MET 105 N 0.76 0.41 0.21 0.39 2.07 -1.11 -2.92 114.93 114.74 1b48 h MET 105 Ca 0.20 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.80 1b48 h MET 105 Cb -0.01 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.63 1b48 h MET 105 CO -0.04 0.27 -0.10 0.82 1.07 0.00 0.00 176.91 178.93 1b48 h ILE 106 N 0.42 0.76 0.00 -1.22 2.04 -1.27 -3.09 117.51 115.15 1b48 h ILE 106 Ca 0.17 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1b48 h ILE 106 Cb 0.16 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1b48 h ILE 106 CO -0.04 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.35 1b48 h ALA 107 N -0.33 1.06 0.03 1.87 0.00 -1.24 -3.01 119.26 117.65 1b48 h ALA 107 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1b48 h ALA 107 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1b48 h ALA 107 CO 0.05 -0.06 -2.08 1.55 0.00 0.00 0.00 179.25 178.70 1b48 n VAL 108 N -2.94 1.58 -0.32 0.00 3.14 -1.12 -4.48 118.33 114.18 1b48 n VAL 108 Ca -0.03 -0.74 0.31 0.00 -2.96 0.00 0.00 64.34 60.92 1b48 n VAL 108 Cb 0.12 -1.12 0.67 0.00 -1.06 0.00 0.00 33.84 32.45 1b48 n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b48 h ALA 109 N 0.61 2.80 -0.60 1.55 0.00 -1.43 -2.15 119.26 120.03 1b48 h ALA 109 Ca -0.44 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1b48 h ALA 109 Cb 2.06 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1b48 h ALA 109 CO 0.04 -1.17 0.40 -1.00 0.00 0.00 0.00 179.25 177.51 1b48 h PRO 110 N 0.13 0.66 0.00 0.00 0.13 -1.79 -2.34 132.00 128.80 1b48 h PRO 110 Ca 0.58 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.59 1b48 h PRO 110 Cb 2.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.97 1b48 h PRO 110 CO -0.12 0.44 -0.36 0.74 -0.23 0.00 0.00 178.00 178.46 1b48 h PHE 111 N 0.68 0.00 -3.66 1.56 -1.00 -1.70 -3.45 116.94 109.37 1b48 h PHE 111 Ca 0.24 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.55 1b48 h PHE 111 Cb 0.11 0.00 0.20 0.00 3.61 0.00 0.00 35.95 39.87 1b48 h PHE 111 CO -0.00 0.36 0.10 0.15 -1.61 0.00 0.00 178.31 177.32 1b48 s LYS 112 N -3.62 -0.10 0.61 1.51 3.01 -0.88 -4.99 119.74 115.28 1b48 s LYS 112 Ca 0.00 1.04 -0.15 0.00 -1.01 0.00 0.00 55.97 55.85 1b48 s LYS 112 Cb 0.11 -1.63 -0.03 0.00 -1.01 0.00 0.00 37.83 35.27 1b48 s LYS 112 CO 0.68 -3.23 1.07 -0.08 0.51 0.00 0.00 175.35 174.30 1b48 s THR 113 N -2.58 3.71 0.29 2.17 -1.32 -1.26 -4.60 115.64 112.05 1b48 s THR 113 Ca 0.67 0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 61.92 1b48 s THR 113 Cb -0.23 -3.33 0.40 0.00 -1.51 0.00 0.00 72.50 67.83 1b48 s THR 113 CO 0.62 -0.49 1.58 1.55 -2.21 0.00 0.00 174.62 175.67 1b48 h PRO 114 N 0.31 0.02 -0.28 7.08 0.13 -1.94 0.36 132.00 137.67 1b48 h PRO 114 Ca -0.47 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1b48 h PRO 114 Cb 1.22 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1b48 h PRO 114 CO 0.57 0.01 -0.29 0.87 -0.23 0.00 0.00 178.00 178.93 1b48 h LYS 115 N 0.02 0.58 0.69 0.86 1.57 -1.99 -2.03 116.57 116.27 1b48 h LYS 115 Ca 0.53 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1b48 h LYS 115 Cb 0.98 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1b48 h LYS 115 CO -0.90 0.81 -0.33 0.93 -0.57 0.00 0.00 179.45 179.38 1b48 h GLU 116 N 0.50 -0.90 -0.07 3.15 3.07 -0.78 -2.28 114.58 117.27 1b48 h GLU 116 Ca 0.06 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1b48 h GLU 116 Cb 0.76 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1b48 h GLU 116 CO 0.06 -0.60 0.05 1.57 -1.40 0.00 0.00 179.01 178.69 1b48 h LYS 117 N -1.19 0.00 0.42 2.33 2.10 -0.84 -0.17 116.57 119.21 1b48 h LYS 117 Ca -0.09 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1b48 h LYS 117 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1b48 h LYS 117 CO 0.16 0.00 -0.20 1.49 -2.00 0.00 0.00 179.45 178.89 1b48 h GLU 118 N 0.00 -0.54 -0.29 0.07 4.22 -1.38 -2.17 114.58 114.49 1b48 h GLU 118 Ca 0.03 0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1b48 h GLU 118 Cb 0.13 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1b48 h GLU 118 CO -0.00 -0.24 0.07 0.93 -2.18 0.00 0.00 179.01 177.58 1b48 h GLU 119 N -0.85 0.42 -0.16 1.92 4.39 -0.85 -2.71 114.58 116.74 1b48 h GLU 119 Ca -0.06 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 1b48 h GLU 119 Cb 0.55 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1b48 h GLU 119 CO 0.09 0.40 -0.63 0.77 -1.16 0.00 0.00 179.01 178.49 1b48 h SER 120 N 0.42 0.66 0.20 1.42 0.02 -1.06 -2.93 113.55 112.28 1b48 h SER 120 Ca 0.10 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1b48 h SER 120 Cb 0.18 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1b48 h SER 120 CO -0.00 1.13 -0.09 1.88 -1.14 0.00 0.00 176.83 178.60 1b48 h TYR 121 N 0.42 -0.24 -0.59 3.45 0.05 -1.07 0.45 116.97 119.43 1b48 h TYR 121 Ca -0.01 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.88 1b48 h TYR 121 Cb 1.20 0.08 -0.09 0.00 1.01 0.00 0.00 36.73 38.93 1b48 h TYR 121 CO 0.05 -0.08 0.07 -0.44 -1.05 0.00 0.00 178.16 176.71 1b48 h ASP 122 N -0.35 -0.12 -0.95 3.88 5.19 -1.59 -0.41 116.42 122.07 1b48 h ASP 122 Ca -0.03 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1b48 h ASP 122 Cb 0.27 0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.94 1b48 h ASP 122 CO 0.04 -0.05 0.63 0.25 -3.12 0.00 0.00 179.24 177.00 1b48 h LEU 123 N 0.19 1.08 -1.00 1.55 5.85 -1.27 -2.21 115.31 119.50 1b48 h LEU 123 Ca 0.31 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1b48 h LEU 123 Cb 0.48 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1b48 h LEU 123 CO -0.45 0.77 0.65 0.40 -0.34 0.00 0.00 178.44 179.47 1b48 h ILE 124 N 1.27 1.10 -0.04 4.05 2.04 0.80 0.88 117.51 127.61 1b48 h ILE 124 Ca 0.35 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1b48 h ILE 124 Cb -0.12 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 35.77 1b48 h ILE 124 CO -0.08 0.22 0.02 -0.07 0.00 0.00 0.00 178.15 178.23 1b48 h LEU 125 N 1.19 0.06 -1.18 1.44 4.07 -0.93 -1.27 115.31 118.69 1b48 h LEU 125 Ca 0.43 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1b48 h LEU 125 Cb 0.14 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1b48 h LEU 125 CO -0.17 0.22 0.19 0.28 -1.08 0.00 0.00 178.44 177.88 1b48 h SER 126 N -0.10 0.69 1.56 -0.43 0.02 -1.03 0.25 113.55 114.53 1b48 h SER 126 Ca 0.01 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1b48 h SER 126 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1b48 h SER 126 CO -0.00 0.64 -0.18 -0.09 -1.14 0.00 0.00 176.83 176.06 1b48 h ARG 127 N 0.75 0.00 0.11 3.45 2.43 -0.72 0.60 114.38 120.99 1b48 h ARG 127 Ca 0.18 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.11 1b48 h ARG 127 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1b48 h ARG 127 CO -0.01 0.18 -1.16 0.00 -1.51 0.00 0.00 179.97 177.47 1b48 h ALA 128 N 1.82 0.09 -0.18 2.80 0.00 -0.59 -1.57 119.26 121.63 1b48 h ALA 128 Ca -0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 54.91 53.76 1b48 h ALA 128 Cb 1.01 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1b48 h ALA 128 CO 0.02 0.65 -0.64 0.87 0.00 0.00 0.00 179.25 180.15 1b48 h LYS 129 N -0.40 0.76 -0.77 0.00 1.57 -0.56 0.47 116.57 117.64 1b48 h LYS 129 Ca -0.24 -0.57 -0.52 0.00 -1.87 0.00 0.00 60.65 57.44 1b48 h LYS 129 Cb 1.66 0.10 -0.31 0.00 0.08 0.00 0.00 32.23 33.76 1b48 h LYS 129 CO 0.07 1.19 -0.02 2.41 -0.57 0.00 0.00 179.45 182.52 1b48 n THR 130 N -4.04 2.95 0.05 -0.16 -1.04 0.20 -4.23 114.28 108.02 1b48 n THR 130 Ca -0.07 -3.40 0.00 0.00 -2.04 0.00 0.00 64.05 58.55 1b48 n THR 130 Cb 0.67 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1b48 n THR 130 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1b48 n ARG 131 N -0.88 0.00 -0.00 -2.82 0.63 -1.17 -4.88 116.66 107.54 1b48 n ARG 131 Ca 0.49 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.29 1b48 n ARG 131 Cb 0.90 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.67 1b48 n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1b48 h TYR 132 N 0.00 0.18 0.02 -0.14 -1.99 -1.21 -3.36 116.97 110.47 1b48 h TYR 132 Ca 0.00 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 1b48 h TYR 132 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1b48 h TYR 132 CO 0.00 1.25 -0.01 0.74 -0.00 0.00 0.00 178.16 180.15 1b48 h PHE 133 N 0.03 -0.02 -1.09 4.88 0.04 -0.31 -3.25 116.94 117.20 1b48 h PHE 133 Ca -0.31 -0.00 0.30 0.00 2.80 0.00 0.00 57.97 60.76 1b48 h PHE 133 Cb 2.01 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 40.10 1b48 h PHE 133 CO 0.03 0.55 0.75 -1.35 -0.60 0.00 0.00 178.31 177.69 1b48 h PRO 134 N -0.98 0.19 -0.12 1.51 0.11 -1.75 0.37 132.00 131.32 1b48 h PRO 134 Ca -0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1b48 h PRO 134 Cb 0.59 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1b48 h PRO 134 CO 0.00 0.13 -0.01 0.28 -0.21 0.00 0.00 178.00 178.19 1b48 h VAL 135 N 0.20 1.26 -0.23 3.15 2.07 -1.70 -2.36 116.25 118.63 1b48 h VAL 135 Ca 0.57 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1b48 h VAL 135 Cb 1.85 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1b48 h VAL 135 CO -0.16 0.25 -0.29 -0.26 0.02 0.00 0.00 177.57 177.12 1b48 h PHE 136 N -0.05 0.52 -0.63 1.57 0.04 -1.02 -1.77 116.94 115.60 1b48 h PHE 136 Ca 0.03 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1b48 h PHE 136 Cb 0.38 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1b48 h PHE 136 CO 0.04 0.70 0.42 1.49 -0.60 0.00 0.00 178.31 180.36 1b48 h GLU 137 N 0.40 0.82 -0.33 1.51 4.57 -1.15 -2.25 114.58 118.15 1b48 h GLU 137 Ca 0.05 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1b48 h GLU 137 Cb 0.72 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1b48 h GLU 137 CO 0.05 0.54 -0.38 -0.22 -1.18 0.00 0.00 179.01 177.83 1b48 h LYS 138 N 0.84 0.78 -0.95 1.92 1.63 -1.13 -0.15 116.57 119.52 1b48 h LYS 138 Ca 0.24 -0.40 0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1b48 h LYS 138 Cb -0.08 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.49 1b48 h LYS 138 CO -0.06 1.03 0.60 0.82 -3.45 0.00 0.00 179.45 178.39 1b48 h ILE 139 N 0.65 1.05 -0.08 2.00 2.04 -0.94 0.38 117.51 122.60 1b48 h ILE 139 Ca 0.06 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1b48 h ILE 139 Cb 0.93 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1b48 h ILE 139 CO 0.09 0.20 -0.13 -0.07 0.00 0.00 0.00 178.15 178.23 1b48 h LEU 140 N 1.07 0.26 -0.13 1.44 -0.00 -1.05 -2.98 115.31 113.92 1b48 h LEU 140 Ca 0.42 -0.54 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1b48 h LEU 140 Cb 0.21 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1b48 h LEU 140 CO -0.19 0.75 0.08 0.50 -0.00 0.00 0.00 178.44 179.58 1b48 h LYS 141 N -0.22 0.18 -0.56 1.13 3.64 -0.55 0.96 116.57 121.15 1b48 h LYS 141 Ca 0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1b48 h LYS 141 Cb 0.69 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1b48 h LYS 141 CO 0.03 0.17 0.19 -0.44 -2.27 0.00 0.00 179.45 177.13 1b48 h ASP 142 N 0.14 0.76 -0.01 4.20 3.32 -1.03 -3.06 116.42 120.76 1b48 h ASP 142 Ca 0.05 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1b48 h ASP 142 Cb 0.04 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1b48 h ASP 142 CO -0.01 0.71 -0.43 0.00 -1.72 0.00 0.00 179.24 177.79 1b48 n HIS 143 N -4.31 0.00 -3.25 4.55 1.44 -1.13 -5.05 115.22 107.47 1b48 n HIS 143 Ca 0.04 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.52 1b48 n HIS 143 Cb 0.19 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.32 1b48 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b48 n GLY 144 N 1.17 0.12 3.48 -1.39 0.00 0.33 -5.00 105.19 103.90 1b48 n GLY 144 Ca 0.04 0.68 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 1b48 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b48 s GLU 145 N -1.79 1.41 -0.01 1.61 2.02 -1.24 -5.07 118.70 115.63 1b48 s GLU 145 Ca 0.23 -1.25 -0.16 0.00 0.02 0.00 0.00 54.97 53.81 1b48 s GLU 145 Cb -0.02 0.43 -0.09 0.00 0.10 0.00 0.00 34.13 34.55 1b48 s GLU 145 CO 0.51 -0.56 0.75 0.00 0.02 0.00 0.00 175.26 175.98 1b48 h ALA 146 N 2.36 -0.66 -3.00 5.21 0.00 -1.96 -3.47 119.26 117.73 1b48 h ALA 146 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1b48 h ALA 146 Cb 1.25 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1b48 h ALA 146 CO 0.40 -0.62 0.00 1.19 0.00 0.00 0.00 179.25 180.22 1b48 n PHE 147 N -4.61 -0.01 -0.02 0.00 3.72 -1.26 -4.96 117.46 110.31 1b48 n PHE 147 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 1b48 n PHE 147 Cb 0.22 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1b48 n PHE 147 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1b48 n LEU 148 N 0.00 0.00 0.00 4.37 7.94 -1.26 -4.93 117.00 123.11 1b48 n LEU 148 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1b48 n LEU 148 Cb 0.00 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1b48 n LEU 148 CO 0.00 0.09 0.00 0.55 -1.11 0.00 0.00 177.39 176.92 1b48 n VAL 149 N -2.03 0.00 0.11 1.96 3.14 -1.26 -4.91 118.33 115.34 1b48 n VAL 149 Ca -0.06 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.28 1b48 n VAL 149 Cb 0.50 -0.23 0.12 0.00 -1.06 0.00 0.00 33.84 33.17 1b48 n VAL 149 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b48 n GLY 150 N 2.79 2.65 3.70 7.55 0.00 -1.26 -4.81 105.19 115.81 1b48 n GLY 150 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1b48 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1b48 n ASN 151 N 0.01 -3.04 -3.61 1.61 4.05 -1.26 -4.98 115.26 108.04 1b48 n ASN 151 Ca 0.19 -0.74 -0.11 0.00 0.45 0.00 0.00 54.58 54.37 1b48 n ASN 151 Cb 0.85 -4.32 -0.05 0.00 1.23 0.00 0.00 39.78 37.49 1b48 n ASN 151 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1b48 s GLN 152 N -6.11 1.06 0.16 1.20 0.74 -1.26 -4.91 119.66 110.54 1b48 s GLN 152 Ca 0.27 -0.56 -0.31 0.00 0.05 0.00 0.00 55.36 54.81 1b48 s GLN 152 Cb -0.13 0.47 -0.09 0.00 1.10 0.00 0.00 33.01 34.36 1b48 s GLN 152 CO 0.79 -0.41 1.50 -1.17 -0.55 0.00 0.00 175.29 175.45 1b48 s LEU 153 N -2.55 4.37 0.18 3.68 2.96 -1.26 -4.52 118.68 121.54 1b48 s LEU 153 Ca 0.00 2.55 0.04 0.00 -0.22 0.00 0.00 54.13 56.50 1b48 s LEU 153 Cb 0.01 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1b48 s LEU 153 CO -0.09 -0.76 -0.05 -0.44 -1.32 0.00 0.00 176.35 173.69 1b48 s SER 154 N 1.01 1.72 0.15 3.68 0.01 -1.26 -4.65 113.70 114.36 1b48 s SER 154 Ca 0.67 -1.11 0.17 0.00 1.31 0.00 0.00 55.95 56.99 1b48 s SER 154 Cb -0.42 0.01 0.76 0.00 0.21 0.00 0.00 66.02 66.59 1b48 s SER 154 CO 0.33 -0.43 1.52 1.87 0.41 0.00 0.00 173.24 176.94 1b48 n TRP 155 N -0.28 0.43 0.09 2.43 -0.00 -0.17 -1.00 117.44 118.92 1b48 n TRP 155 Ca -0.08 0.18 -0.11 0.00 -0.00 0.00 0.00 57.50 57.49 1b48 n TRP 155 Cb 0.62 -0.79 -0.11 0.00 -0.00 0.00 0.00 31.31 31.03 1b48 n TRP 155 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1b48 h ALA 156 N 2.26 0.26 0.27 5.87 0.00 -1.88 -1.94 119.26 124.10 1b48 h ALA 156 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1b48 h ALA 156 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b48 h ALA 156 CO 0.00 1.06 -0.13 -0.44 0.00 0.00 0.00 179.25 179.73 1b48 h ASP 157 N 0.06 -0.31 0.00 0.00 3.32 -1.47 -1.16 116.42 116.85 1b48 h ASP 157 Ca -0.07 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1b48 h ASP 157 Cb 1.81 0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1b48 h ASP 157 CO 0.17 -0.13 0.00 -0.38 -1.72 0.00 0.00 179.24 177.18 1b48 n ILE 158 N -5.20 0.00 -0.26 0.35 5.41 -1.11 -2.03 119.36 116.52 1b48 n ILE 158 Ca -0.10 1.48 0.22 0.00 1.00 0.00 0.00 62.75 65.35 1b48 n ILE 158 Cb 0.20 -2.37 0.41 0.00 -0.71 0.00 0.00 39.64 37.16 1b48 n ILE 158 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1b48 n GLN 159 N -2.17 -0.05 -0.03 0.38 -0.06 -0.73 0.69 117.38 115.41 1b48 n GLN 159 Ca 0.00 1.12 -0.12 0.00 -2.00 0.00 0.00 57.00 56.00 1b48 n GLN 159 Cb 0.00 -1.95 -0.08 0.00 -4.06 0.00 0.00 30.24 24.15 1b48 n GLN 159 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1b48 h LEU 160 N 0.00 0.19 0.19 1.69 5.85 -0.95 -2.20 115.31 120.08 1b48 h LEU 160 Ca 0.62 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1b48 h LEU 160 Cb 1.57 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1b48 h LEU 160 CO -0.65 0.54 -0.49 0.25 -0.34 0.00 0.00 178.44 177.75 1b48 h LEU 161 N -0.16 -1.43 -0.71 2.25 6.46 0.88 0.69 115.31 123.29 1b48 h LEU 161 Ca 0.02 0.15 0.16 0.00 -0.12 0.00 0.00 57.88 58.09 1b48 h LEU 161 Cb 0.46 0.52 -0.12 0.00 -0.73 0.00 0.00 40.66 40.79 1b48 h LEU 161 CO 0.01 -0.56 0.06 -0.08 -0.62 0.00 0.00 178.44 177.26 1b48 h GLU 162 N -0.77 0.15 -0.91 1.25 4.81 -1.47 0.25 114.58 117.91 1b48 h GLU 162 Ca -0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1b48 h GLU 162 Cb 0.76 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1b48 h GLU 162 CO -0.23 0.10 0.58 0.00 -0.73 0.00 0.00 179.01 178.73 1b48 h ALA 163 N 1.64 1.22 -0.34 2.92 0.00 -0.60 0.57 119.26 124.67 1b48 h ALA 163 Ca 0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1b48 h ALA 163 Cb 0.68 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1b48 h ALA 163 CO -0.58 0.40 -0.07 0.82 0.00 0.00 0.00 179.25 179.82 1b48 h ILE 164 N 1.09 1.28 0.47 0.00 2.04 0.16 -1.70 117.51 120.85 1b48 h ILE 164 Ca 0.38 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1b48 h ILE 164 Cb 0.08 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1b48 h ILE 164 CO -0.14 0.37 -0.29 -0.07 0.00 0.00 0.00 178.15 178.01 1b48 h LEU 165 N 0.43 -0.73 -1.88 1.44 3.38 -0.20 -1.99 115.31 115.75 1b48 h LEU 165 Ca 0.09 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.28 1b48 h LEU 165 Cb 0.57 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1b48 h LEU 165 CO 0.03 -0.46 0.47 -0.03 0.09 0.00 0.00 178.44 178.54 1b48 h MET 166 N -0.73 0.11 0.06 1.13 4.05 -0.82 -0.38 114.93 118.35 1b48 h MET 166 Ca -0.05 -0.01 -0.25 0.00 -0.28 0.00 0.00 59.70 59.11 1b48 h MET 166 Cb 0.60 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1b48 h MET 166 CO 0.05 0.07 -1.09 0.28 0.23 0.00 0.00 176.91 176.46 1b48 h VAL 167 N 0.11 1.40 0.00 -5.77 2.07 -0.87 -3.21 116.25 109.98 1b48 h VAL 167 Ca 0.33 -2.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.17 1b48 h VAL 167 Cb 1.13 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 1b48 h VAL 167 CO -0.04 0.78 -0.29 -0.33 0.02 0.00 0.00 177.57 177.71 1b48 h GLU 168 N 0.20 0.00 0.00 1.57 5.08 -0.34 -2.22 114.58 118.87 1b48 h GLU 168 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1b48 h GLU 168 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1b48 h GLU 168 CO 0.19 0.29 0.03 0.39 -1.00 0.00 0.00 179.01 178.91 1b48 n GLU 169 N -4.11 0.09 -0.10 2.33 1.02 -0.98 -1.97 120.64 116.92 1b48 n GLU 169 Ca -0.02 0.58 -0.22 0.00 -0.02 0.00 0.00 57.16 57.48 1b48 n GLU 169 Cb 0.35 -1.83 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 1b48 n GLU 169 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1b48 n LEU 170 N -1.99 1.49 -3.76 -4.62 4.32 -0.87 -4.92 117.00 106.65 1b48 n LEU 170 Ca -0.01 0.25 -0.28 0.00 -0.02 0.00 0.00 56.01 55.95 1b48 n LEU 170 Cb 0.05 -0.62 -0.16 0.00 -1.62 0.00 0.00 43.42 41.07 1b48 n LEU 170 CO 0.06 0.44 -0.37 -0.55 -1.22 0.00 0.00 177.39 175.75 1b48 s SER 171 N -6.87 2.95 0.11 -1.43 0.15 -0.83 -5.04 113.70 102.75 1b48 s SER 171 Ca -0.29 -0.83 -0.14 0.00 0.70 0.00 0.00 55.95 55.40 1b48 s SER 171 Cb 0.11 -0.66 -0.07 0.00 -1.71 0.00 0.00 66.02 63.70 1b48 s SER 171 CO 0.37 -0.29 1.44 0.00 1.20 0.00 0.00 173.24 175.96 1b48 h ALA 172 N 8.21 0.47 0.00 5.45 0.00 -1.68 -3.21 119.26 128.50 1b48 h ALA 172 Ca -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1b48 h ALA 172 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1b48 h ALA 172 CO 0.34 0.50 0.00 -0.35 0.00 0.00 0.00 179.25 179.75 1b48 n PRO 173 N -4.21 0.90 -0.05 0.00 -0.04 -1.26 -4.27 135.00 126.06 1b48 n PRO 173 Ca -0.03 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1b48 n PRO 173 Cb 0.48 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1b48 n PRO 173 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1b48 h VAL 174 N 0.00 0.82 0.00 0.52 3.04 -1.94 -1.95 116.25 116.74 1b48 h VAL 174 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1b48 h VAL 174 Cb 0.22 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1b48 h VAL 174 CO 0.00 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 176.75 1b48 n LEU 175 N -5.16 0.00 -0.31 3.16 4.77 -1.26 -4.01 117.00 114.20 1b48 n LEU 175 Ca -0.02 0.00 0.28 0.00 -0.03 0.00 0.00 56.01 56.24 1b48 n LEU 175 Cb 0.13 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.83 1b48 n LEU 175 CO 0.25 0.00 1.26 -1.28 -1.33 0.00 0.00 177.39 176.29 1b48 h SER 176 N 0.00 0.25 -0.24 -1.43 0.87 -1.68 -1.96 113.55 109.36 1b48 h SER 176 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1b48 h SER 176 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1b48 h SER 176 CO 0.00 0.04 0.00 0.47 -0.53 0.00 0.00 176.83 176.81 1b48 n ASP 177 N -4.44 2.95 -3.39 6.23 9.92 -1.26 -4.84 116.55 121.73 1b48 n ASP 177 Ca 0.25 -2.31 -0.26 0.00 -0.53 0.00 0.00 54.79 51.94 1b48 n ASP 177 Cb 1.02 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 41.14 1b48 n ASP 177 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1b48 n PHE 178 N -0.03 2.90 -0.28 1.24 3.01 -0.74 -4.98 117.46 118.58 1b48 n PHE 178 Ca 0.12 -4.05 -0.09 0.00 1.01 0.00 0.00 57.45 54.44 1b48 n PHE 178 Cb 0.52 -0.52 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 1b48 n PHE 178 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1b48 h PRO 179 N 4.17 -0.07 -0.54 -1.08 0.11 -1.88 -0.94 132.00 131.77 1b48 h PRO 179 Ca 0.18 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.45 1b48 h PRO 179 Cb 0.70 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1b48 h PRO 179 CO 0.77 -0.05 0.49 -0.07 -0.21 0.00 0.00 178.00 178.93 1b48 h LEU 180 N -0.07 0.00 0.03 2.35 -0.00 -1.93 -2.08 115.31 113.61 1b48 h LEU 180 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1b48 h LEU 180 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1b48 h LEU 180 CO -0.68 0.00 -0.02 -0.07 -0.00 0.00 0.00 178.44 177.67 1b48 h LEU 181 N 0.00 -0.04 -0.67 1.67 3.38 -1.53 -2.64 115.31 115.49 1b48 h LEU 181 Ca 0.26 -0.68 0.14 0.00 0.09 0.00 0.00 57.88 57.69 1b48 h LEU 181 Cb 1.23 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.88 1b48 h LEU 181 CO -0.00 0.73 -0.01 1.56 0.09 0.00 0.00 178.44 180.80 1b48 h GLN 182 N -0.87 0.10 -0.62 1.13 4.20 -1.16 0.72 115.11 118.61 1b48 h GLN 182 Ca -0.00 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1b48 h GLN 182 Cb 0.71 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1b48 h GLN 182 CO 0.01 0.07 0.38 0.00 -0.67 0.00 0.00 178.83 178.61 1b48 h ALA 183 N 1.62 0.81 -0.59 3.87 0.00 -1.61 -1.04 119.26 122.32 1b48 h ALA 183 Ca 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1b48 h ALA 183 Cb 0.58 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1b48 h ALA 183 CO -0.59 0.11 0.36 0.35 0.00 0.00 0.00 179.25 179.49 1b48 h PHE 184 N 0.73 0.68 0.72 0.00 3.57 0.51 0.18 116.94 123.34 1b48 h PHE 184 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1b48 h PHE 184 Cb 0.04 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1b48 h PHE 184 CO -0.06 0.40 -0.46 -0.22 -2.23 0.00 0.00 178.31 175.74 1b48 h LYS 185 N 0.72 -1.08 -0.72 1.11 3.64 0.10 -0.06 116.57 120.29 1b48 h LYS 185 Ca 0.23 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1b48 h LYS 185 Cb -0.00 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1b48 h LYS 185 CO -0.09 -0.72 0.19 1.79 -2.27 0.00 0.00 179.45 178.36 1b48 h THR 186 N -1.12 1.26 -0.18 1.00 1.35 -1.14 0.23 112.91 114.31 1b48 h THR 186 Ca -0.09 -0.95 0.04 0.00 -0.55 0.00 0.00 66.41 64.86 1b48 h THR 186 Cb 0.91 0.50 -0.04 0.00 -1.73 0.00 0.00 68.15 67.79 1b48 h THR 186 CO 0.08 0.37 -0.09 -0.09 -0.25 0.00 0.00 175.52 175.54 1b48 h ARG 187 N 1.08 -0.07 -0.05 4.72 2.43 -0.48 -2.06 114.38 119.95 1b48 h ARG 187 Ca 0.23 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.20 1b48 h ARG 187 Cb 0.35 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1b48 h ARG 187 CO -0.00 -0.05 -0.84 0.82 -1.51 0.00 0.00 179.97 178.39 1b48 h ILE 188 N -0.08 1.38 -0.31 1.20 1.08 -0.77 -3.28 117.51 116.74 1b48 h ILE 188 Ca 0.10 -2.28 0.04 0.00 -0.39 0.00 0.00 64.86 62.33 1b48 h ILE 188 Cb 0.22 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 1b48 h ILE 188 CO -0.23 0.68 0.08 0.28 -0.69 0.00 0.00 178.15 178.27 1b48 h SER 189 N 0.28 0.05 0.00 1.72 0.02 -0.22 -1.98 113.55 113.42 1b48 h SER 189 Ca -0.06 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1b48 h SER 189 Cb 1.45 0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1b48 h SER 189 CO 0.15 0.06 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 1b48 n ASN 190 N -5.07 0.09 -4.73 3.07 3.02 -0.80 -2.90 115.26 107.94 1b48 n ASN 190 Ca 0.00 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.77 1b48 n ASN 190 Cb 0.13 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1b48 n ASN 190 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1b48 s ILE 191 N -1.87 3.93 0.00 2.41 1.01 -0.75 -4.85 121.20 121.08 1b48 s ILE 191 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1b48 s ILE 191 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1b48 s ILE 191 CO 0.00 0.21 0.55 -2.65 0.00 0.00 0.00 174.94 173.05 1b48 n PRO 192 N 2.98 0.00 -0.31 2.79 -0.02 -1.26 -0.16 135.00 139.02 1b48 n PRO 192 Ca 0.05 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 1b48 n PRO 192 Cb 0.46 -0.90 0.26 0.00 -0.02 0.00 0.00 33.50 33.30 1b48 n PRO 192 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1b48 h THR 193 N 0.00 1.00 -0.45 3.45 1.35 -1.89 -1.91 112.91 114.46 1b48 h THR 193 Ca 0.00 -0.33 -0.09 0.00 -0.55 0.00 0.00 66.41 65.44 1b48 h THR 193 Cb 0.00 -0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.34 1b48 h THR 193 CO 0.00 0.18 -0.08 0.40 -0.25 0.00 0.00 175.52 175.77 1b48 h ILE 194 N 0.97 1.25 -0.19 6.82 1.08 -1.51 -2.91 117.51 123.02 1b48 h ILE 194 Ca 0.42 -1.13 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1b48 h ILE 194 Cb 0.35 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1b48 h ILE 194 CO -0.18 0.39 -0.09 0.50 -0.69 0.00 0.00 178.15 178.08 1b48 h LYS 195 N 0.73 0.40 -0.31 2.37 3.64 0.21 -2.42 116.57 121.19 1b48 h LYS 195 Ca 0.13 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1b48 h LYS 195 Cb 0.55 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 1b48 h LYS 195 CO 0.03 0.69 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.51 1b48 h LYS 196 N 0.09 -0.13 0.00 1.90 3.64 -1.35 0.23 116.57 120.95 1b48 h LYS 196 Ca 0.04 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1b48 h LYS 196 Cb 0.57 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1b48 h LYS 196 CO 0.03 -0.09 -0.06 0.35 -2.27 0.00 0.00 179.45 177.41 1b48 h PHE 197 N -0.14 0.00 0.00 1.91 3.57 -1.51 -2.17 116.94 118.61 1b48 h PHE 197 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1b48 h PHE 197 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1b48 h PHE 197 CO -0.37 0.06 -0.46 1.28 -2.23 0.00 0.00 178.31 176.59 1b48 n LEU 198 N -3.91 0.61 -4.79 0.59 4.77 0.65 -4.70 117.00 110.23 1b48 n LEU 198 Ca -0.03 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.85 1b48 n LEU 198 Cb 0.15 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1b48 n LEU 198 CO 0.30 -0.03 0.71 -1.10 -1.33 0.00 0.00 177.39 175.94 1b48 s GLN 199 N -3.11 4.21 0.65 3.23 -0.21 -0.32 -4.90 119.66 119.22 1b48 s GLN 199 Ca 0.08 1.43 0.05 0.00 0.02 0.00 0.00 55.36 56.95 1b48 s GLN 199 Cb 0.15 -2.52 0.19 0.00 1.00 0.00 0.00 33.01 31.83 1b48 s GLN 199 CO 0.68 -0.08 1.07 -1.35 -2.12 0.00 0.00 175.29 173.49 1b48 h PRO 200 N 2.49 0.00 -4.35 2.91 0.11 -1.90 -3.25 132.00 128.01 1b48 h PRO 200 Ca -0.48 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.90 1b48 h PRO 200 Cb 1.21 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.06 1b48 h PRO 200 CO 0.62 0.00 -0.39 0.20 -0.21 0.00 0.00 178.00 178.23 1b48 s GLY 201 N -3.08 2.02 0.13 -0.55 0.00 -1.26 -5.02 107.32 99.55 1b48 s GLY 201 Ca -0.01 -2.22 -0.25 0.00 0.00 0.00 0.00 44.72 42.24 1b48 s GLY 201 CO 0.08 1.04 1.05 -1.35 0.00 0.00 0.00 173.10 173.92 1b48 s SER 202 N 2.50 -0.10 0.00 1.64 1.04 -1.23 -4.77 113.70 112.78 1b48 s SER 202 Ca 0.04 -0.43 0.26 0.00 0.48 0.00 0.00 55.95 56.30 1b48 s SER 202 Cb -0.25 0.42 0.75 0.00 0.10 0.00 0.00 66.02 67.05 1b48 s SER 202 CO 0.03 -0.80 1.56 0.00 0.98 0.00 0.00 173.24 175.02 1b48 n GLN 203 N -0.55 0.58 -1.64 4.02 6.02 -1.26 -4.93 117.38 119.61 1b48 n GLN 203 Ca -0.05 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 56.20 1b48 n GLN 203 Cb 0.61 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.38 1b48 n GLN 203 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1b48 n ARG 204 N -0.93 1.58 -4.06 -1.09 0.63 -1.26 -5.00 116.66 106.53 1b48 n ARG 204 Ca 0.10 0.56 -0.28 0.00 -0.92 0.00 0.00 57.85 57.31 1b48 n ARG 204 Cb 0.34 -2.15 -0.06 0.00 0.45 0.00 0.00 32.46 31.04 1b48 n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1b48 s LYS 205 N -2.02 2.92 0.90 -0.14 3.01 -1.26 -5.12 119.74 118.02 1b48 s LYS 205 Ca 0.62 -0.76 -0.12 0.00 -1.01 0.00 0.00 55.97 54.69 1b48 s LYS 205 Cb -0.56 -2.71 0.13 0.00 -1.01 0.00 0.00 37.83 33.69 1b48 s LYS 205 CO 0.58 0.53 1.15 -1.25 0.51 0.00 0.00 175.35 176.87 1b48 s PRO 206 N -2.74 1.26 1.30 -1.68 0.04 -1.26 -4.80 135.00 127.13 1b48 s PRO 206 Ca 0.30 0.23 -0.18 0.00 0.04 0.00 0.00 61.00 61.39 1b48 s PRO 206 Cb -0.11 -1.86 0.33 0.00 0.04 0.00 0.00 34.50 32.89 1b48 s PRO 206 CO 0.23 -2.10 0.99 -1.25 0.04 0.00 0.00 177.00 174.90 1b48 s PRO 207 N -5.36 -1.95 -0.13 0.56 0.04 -1.26 -4.13 135.00 122.76 1b48 s PRO 207 Ca 0.64 0.39 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1b48 s PRO 207 Cb -0.14 -1.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 1b48 s PRO 207 CO 0.52 -4.29 1.54 -1.25 0.04 0.00 0.00 177.00 173.56 1b48 s PRO 208 N -4.86 4.07 0.18 0.56 0.04 -1.26 -4.84 135.00 128.89 1b48 s PRO 208 Ca 0.69 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.69 1b48 s PRO 208 Cb -0.18 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1b48 s PRO 208 CO 0.60 -0.95 -0.04 0.16 0.04 0.00 0.00 177.00 176.81 1b48 s ASP 209 N 3.27 4.56 0.16 6.66 -4.77 -1.26 -5.04 116.67 120.24 1b48 s ASP 209 Ca 0.68 -0.47 -0.30 0.00 -3.30 0.00 0.00 52.55 49.16 1b48 s ASP 209 Cb -0.28 -0.89 -0.05 0.00 -1.09 0.00 0.00 42.92 40.61 1b48 s ASP 209 CO 0.26 0.10 1.55 1.23 0.70 0.00 0.00 175.17 179.00 1b48 h GLY 210 N 2.80 -0.78 -0.08 2.12 0.00 -1.99 -1.24 103.07 103.90 1b48 h GLY 210 Ca -0.47 0.73 0.25 0.00 0.00 0.00 0.00 47.33 47.84 1b48 h GLY 210 CO 0.56 -0.04 0.64 -2.55 0.00 0.00 0.00 176.54 175.16 1b48 h PRO 211 N -0.14 0.46 -0.29 4.80 0.11 -2.00 -0.95 132.00 133.99 1b48 h PRO 211 Ca 0.15 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 1b48 h PRO 211 Cb 0.50 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1b48 h PRO 211 CO -0.82 0.30 -0.22 -0.92 -0.21 0.00 0.00 178.00 176.14 1b48 h TYR 212 N 0.47 0.78 -0.10 0.65 3.20 -1.62 -2.16 116.97 118.19 1b48 h TYR 212 Ca 0.59 -0.22 0.04 0.00 3.14 0.00 0.00 58.73 62.29 1b48 h TYR 212 Cb 1.36 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.40 1b48 h TYR 212 CO -0.00 0.93 -0.40 0.28 -1.64 0.00 0.00 178.16 177.32 1b48 h VAL 213 N 0.40 0.17 -0.62 1.81 2.07 -0.79 -1.61 116.25 117.68 1b48 h VAL 213 Ca 0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1b48 h VAL 213 Cb 0.77 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1b48 h VAL 213 CO 0.06 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.44 1b48 h GLU 214 N -0.50 0.98 0.00 1.57 3.07 -1.59 -1.61 114.58 116.51 1b48 h GLU 214 Ca 0.07 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1b48 h GLU 214 Cb 0.62 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1b48 h GLU 214 CO -0.37 0.89 0.00 1.55 -1.40 0.00 0.00 179.01 179.68 1b48 n VAL 215 N -4.24 0.99 -0.06 3.13 3.14 -0.81 -1.97 118.33 118.51 1b48 n VAL 215 Ca 0.04 0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 61.90 1b48 n VAL 215 Cb 0.26 -1.47 -0.01 0.00 -1.06 0.00 0.00 33.84 31.56 1b48 n VAL 215 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1b48 h VAL 216 N 0.00 0.07 0.00 1.55 2.07 -0.38 -3.24 116.25 116.32 1b48 h VAL 216 Ca 0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1b48 h VAL 216 Cb 0.16 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1b48 h VAL 216 CO 0.00 0.03 0.10 0.54 0.02 0.00 0.00 177.57 178.26 1b48 n ARG 217 N -4.69 0.00 -0.13 1.57 1.74 -0.82 -0.91 116.66 113.42 1b48 n ARG 217 Ca -0.04 0.24 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 1b48 n ARG 217 Cb 0.15 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 1b48 n ARG 217 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1b48 n ILE 218 N -1.19 1.49 -0.10 0.55 -0.00 -0.83 -2.34 119.36 116.94 1b48 n ILE 218 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.30 1b48 n ILE 218 Cb 0.10 -1.69 0.28 0.00 -0.00 0.00 0.00 39.64 38.33 1b48 n ILE 218 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1b48 h VAL 219 N -0.61 1.18 0.00 1.39 2.07 -1.05 -3.17 116.25 116.07 1b48 h VAL 219 Ca -0.65 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1b48 h VAL 219 Cb 1.71 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1b48 h VAL 219 CO -0.29 0.22 -0.88 0.00 0.02 0.00 0.00 177.57 176.63 1b48 n LEU 220 N -4.36 0.56 -2.54 2.57 -0.00 -1.02 -4.45 117.00 107.76 1b48 n LEU 220 Ca 0.04 -0.40 -0.03 0.00 -0.00 0.00 0.00 56.01 55.62 1b48 n LEU 220 Cb 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.58 1b48 n LEU 220 CO 0.38 0.14 0.15 0.29 -0.00 0.00 0.00 177.39 178.35 1b48 n LYS 221 N -1.48 -1.05 0.00 1.47 5.02 -1.16 -5.07 118.16 115.90 1b48 n LYS 221 Ca 0.02 0.93 0.10 0.00 -2.02 0.00 0.00 58.31 57.34 1b48 n LYS 221 Cb 0.26 -4.23 0.60 0.00 -0.02 0.00 0.00 35.03 31.63 1b48 n LYS 221 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22