#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b48 n ALA 3 N 0.00 0.92 -3.45 0.00 0.00 -1.26 -4.84 120.51 111.88 1b48 n ALA 3 Ca 0.00 -0.70 -0.28 0.00 0.00 0.00 0.00 53.44 52.46 1b48 n ALA 3 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 16.98 1b48 n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b48 n LYS 4 N 6.31 2.54 -1.45 0.00 4.81 -1.26 -4.92 118.16 124.19 1b48 n LYS 4 Ca 0.67 -4.66 -0.22 0.00 -0.87 0.00 0.00 58.31 53.23 1b48 n LYS 4 Cb 0.12 -2.27 -0.11 0.00 0.02 0.00 0.00 35.03 32.79 1b48 n LYS 4 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1b48 n PRO 5 N 0.95 0.29 -2.44 1.64 -0.02 -1.26 -4.80 135.00 129.36 1b48 n PRO 5 Ca 0.29 -1.69 -0.43 0.00 -2.02 0.00 0.00 63.50 59.65 1b48 n PRO 5 Cb 0.40 -3.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.22 1b48 n PRO 5 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1b48 n LYS 6 N 8.10 3.26 -2.51 -0.52 4.81 -1.21 -3.38 118.16 126.71 1b48 n LYS 6 Ca 0.43 -3.34 -0.43 0.00 -0.87 0.00 0.00 58.31 54.10 1b48 n LYS 6 Cb 0.46 -3.20 -0.02 0.00 0.02 0.00 0.00 35.03 32.28 1b48 n LYS 6 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1b48 s LEU 7 N 2.11 4.12 0.01 3.14 0.05 -1.26 -3.93 118.68 122.92 1b48 s LEU 7 Ca 0.46 1.53 -0.22 0.00 0.05 0.00 0.00 54.13 55.95 1b48 s LEU 7 Cb 0.06 -3.54 -0.05 0.00 -2.05 0.00 0.00 46.19 40.60 1b48 s LEU 7 CO 0.01 -0.76 0.64 -0.31 -0.55 0.00 0.00 176.35 175.38 1b48 s TYR 8 N 3.47 3.69 0.00 3.48 1.51 0.12 -3.90 117.35 125.72 1b48 s TYR 8 Ca 0.51 1.27 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1b48 s TYR 8 Cb -0.19 -2.67 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1b48 s TYR 8 CO 0.12 0.32 0.00 0.98 -1.11 0.00 0.00 175.55 175.86 1b48 n TYR 9 N 2.79 -0.25 -2.20 2.71 9.36 -1.22 -2.78 117.16 125.57 1b48 n TYR 9 Ca -0.05 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.89 1b48 n TYR 9 Cb 0.51 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.26 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 -3.93 3.25 -1.69 2.98 0.08 -1.26 0.83 117.98 118.25 1b48 s PHE 10 Ca 0.00 0.77 0.17 0.00 0.12 0.00 0.00 56.93 57.99 1b48 s PHE 10 Cb 0.00 -2.90 0.91 0.00 -0.57 0.00 0.00 43.02 40.47 1b48 s PHE 10 CO 0.00 -1.00 1.45 -1.71 -0.10 0.00 0.00 175.22 173.86 1b48 n ASN 11 N -2.77 0.00 -2.86 1.36 2.85 -1.26 -4.77 115.26 107.81 1b48 n ASN 11 Ca 0.06 -0.21 -0.06 0.00 -0.11 0.00 0.00 54.58 54.25 1b48 n ASN 11 Cb 0.58 -0.16 0.01 0.00 1.24 0.00 0.00 39.78 41.45 1b48 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1b48 n GLY 12 N 0.09 2.32 0.01 8.20 0.00 -1.26 -4.81 105.19 109.74 1b48 n GLY 12 Ca 0.10 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.94 1b48 n GLY 12 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b48 h ARG 13 N 0.00 -0.01 0.00 1.61 3.08 -1.86 -3.46 114.38 113.74 1b48 h ARG 13 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1b48 h ARG 13 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1b48 h ARG 13 CO 0.13 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1b48 n GLY 14 N 0.14 2.89 0.09 0.04 0.00 -1.26 -2.01 105.19 105.09 1b48 n GLY 14 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1b48 n GLY 14 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b48 h ARG 15 N 0.00 0.00 -0.10 1.61 2.47 -1.97 -3.36 114.38 113.03 1b48 h ARG 15 Ca 0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 1b48 h ARG 15 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1b48 h ARG 15 CO 0.00 0.60 -0.57 1.98 0.56 0.00 0.00 179.97 182.54 1b48 h MET 16 N 0.00 0.30 -1.20 0.04 4.05 -1.91 -3.31 114.93 112.90 1b48 h MET 16 Ca -0.13 -0.20 0.44 0.00 -0.28 0.00 0.00 59.70 59.53 1b48 h MET 16 Cb 1.75 0.02 -0.16 0.00 -0.80 0.00 0.00 31.60 32.42 1b48 h MET 16 CO 0.09 0.79 0.73 1.49 0.23 0.00 0.00 176.91 180.23 1b48 h GLU 17 N 0.23 0.02 0.00 0.39 4.57 -1.55 1.02 114.58 119.27 1b48 h GLU 17 Ca -0.00 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1b48 h GLU 17 Cb 1.07 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1b48 h GLU 17 CO 0.09 0.02 -0.78 0.77 -1.18 0.00 0.00 179.01 177.93 1b48 h SER 18 N 0.03 0.00 0.01 1.04 0.02 -1.84 -2.52 113.55 110.29 1b48 h SER 18 Ca 0.86 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.81 1b48 h SER 18 Cb 2.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.06 1b48 h SER 18 CO -0.60 0.78 -0.01 0.40 -1.14 0.00 0.00 176.83 176.26 1b48 h ILE 19 N 0.00 1.28 -0.42 3.27 2.04 0.78 -2.55 117.51 121.91 1b48 h ILE 19 Ca -0.01 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.02 1b48 h ILE 19 Cb 1.42 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 39.32 1b48 h ILE 19 CO 0.10 0.23 -0.02 0.03 0.00 0.00 0.00 178.15 178.50 1b48 h ARG 20 N -0.41 0.09 -0.89 2.37 3.08 -0.93 0.76 114.38 118.45 1b48 h ARG 20 Ca -0.00 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1b48 h ARG 20 Cb 0.40 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1b48 h ARG 20 CO 0.00 0.06 0.58 -1.49 -1.07 0.00 0.00 179.97 178.05 1b48 h TRP 21 N 0.09 0.96 -0.25 3.04 4.06 -1.44 0.11 115.95 122.53 1b48 h TRP 21 Ca 0.21 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.14 1b48 h TRP 21 Cb 0.30 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1b48 h TRP 21 CO -0.29 0.45 0.01 1.25 -3.56 0.00 0.00 178.44 176.29 1b48 h LEU 22 N 0.90 0.42 -0.83 -4.49 5.85 -0.47 -2.20 115.31 114.49 1b48 h LEU 22 Ca 0.41 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1b48 h LEU 22 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1b48 h LEU 22 CO -0.17 0.62 0.02 -0.07 -0.34 0.00 0.00 178.44 178.50 1b48 h LEU 23 N 0.21 0.86 0.00 2.25 3.38 -0.57 -2.61 115.31 118.83 1b48 h LEU 23 Ca 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1b48 h LEU 23 Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1b48 h LEU 23 CO 0.01 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1b48 n ALA 24 N -2.47 -0.13 -0.33 1.53 0.00 0.33 -1.64 120.51 117.80 1b48 n ALA 24 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.70 1b48 n ALA 24 Cb 0.31 0.10 0.46 0.00 0.00 0.00 0.00 19.45 20.32 1b48 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b48 h ALA 25 N -1.90 1.89 -0.70 0.00 0.00 -1.48 0.47 119.26 117.54 1b48 h ALA 25 Ca 0.00 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1b48 h ALA 25 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1b48 h ALA 25 CO 0.00 -0.60 0.48 0.00 0.00 0.00 0.00 179.25 179.13 1b48 h ALA 26 N 1.86 2.20 -0.05 0.00 0.00 -1.25 -3.45 119.26 118.56 1b48 h ALA 26 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1b48 h ALA 26 Cb 1.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1b48 h ALA 26 CO -0.63 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 178.64 1b48 n GLY 27 N -1.55 1.47 3.13 0.00 0.00 0.17 -5.09 105.19 103.32 1b48 n GLY 27 Ca 0.13 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1b48 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b48 s VAL 28 N -2.05 2.29 0.64 1.61 1.01 -0.65 -5.06 120.40 118.18 1b48 s VAL 28 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1b48 s VAL 28 Cb 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1b48 s VAL 28 CO 0.00 0.36 1.05 -0.70 0.00 0.00 0.00 175.10 175.81 1b48 s GLU 29 N 1.27 3.23 -0.01 2.72 -6.30 -1.26 -4.37 118.70 113.97 1b48 s GLU 29 Ca 0.01 0.98 -0.28 0.00 -2.50 0.00 0.00 54.97 53.18 1b48 s GLU 29 Cb -0.15 -2.03 0.09 0.00 0.00 0.00 0.00 34.13 32.04 1b48 s GLU 29 CO -0.09 -0.87 0.79 -0.59 0.02 0.00 0.00 175.26 174.52 1b48 s PHE 30 N -2.90 -0.48 0.00 5.30 -0.12 -1.26 -4.64 117.98 113.88 1b48 s PHE 30 Ca 0.59 0.59 0.00 0.00 -0.05 0.00 0.00 56.93 58.05 1b48 s PHE 30 Cb -0.14 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1b48 s PHE 30 CO 0.48 -0.59 0.00 0.39 -0.05 0.00 0.00 175.22 175.46 1b48 n GLU 31 N 0.26 1.57 0.00 1.99 -0.58 -1.22 -4.99 120.64 117.67 1b48 n GLU 31 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1b48 n GLU 31 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1b48 n GLU 31 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1b48 n GLU 32 N -0.53 0.00 -2.02 3.49 0.28 -1.26 -4.02 120.64 116.58 1b48 n GLU 32 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1b48 n GLU 32 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1b48 n GLU 32 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1b48 s GLU 33 N 0.00 4.25 0.62 3.44 2.12 -1.25 -4.91 118.70 122.97 1b48 s GLU 33 Ca 0.00 2.26 -0.09 0.00 0.36 0.00 0.00 54.97 57.50 1b48 s GLU 33 Cb 0.00 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1b48 s GLU 33 CO 0.00 -0.56 0.98 -0.06 -0.54 0.00 0.00 175.26 175.08 1b48 s PHE 34 N 1.23 3.41 -0.52 5.30 0.08 -1.26 -3.42 117.98 122.81 1b48 s PHE 34 Ca 0.68 0.96 -0.15 0.00 0.12 0.00 0.00 56.93 58.55 1b48 s PHE 34 Cb -0.41 -2.78 0.12 0.00 -0.57 0.00 0.00 43.02 39.37 1b48 s PHE 34 CO 0.31 -0.83 0.46 -0.51 -0.10 0.00 0.00 175.22 174.54 1b48 s LEU 35 N -5.13 6.00 0.00 -0.37 2.01 0.24 -4.84 118.68 116.60 1b48 s LEU 35 Ca 0.55 -1.71 0.00 0.00 0.01 0.00 0.00 54.13 52.97 1b48 s LEU 35 Cb -0.11 -2.18 0.00 0.00 0.01 0.00 0.00 46.19 43.92 1b48 s LEU 35 CO 0.49 -0.79 0.00 -0.62 1.01 0.00 0.00 176.35 176.44 1b48 n GLU 36 N 5.19 0.00 -3.06 1.70 1.02 -1.26 -4.52 120.64 119.72 1b48 n GLU 36 Ca -0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.69 1b48 n GLU 36 Cb 0.41 -0.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.62 1b48 n GLU 36 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1b48 s THR 37 N -0.39 4.73 0.33 2.62 -1.32 -1.26 -4.77 115.64 115.59 1b48 s THR 37 Ca 0.00 0.80 0.29 0.00 -1.21 0.00 0.00 61.69 61.57 1b48 s THR 37 Cb 0.00 -3.65 0.31 0.00 -1.51 0.00 0.00 72.50 67.65 1b48 s THR 37 CO 0.00 -0.30 2.03 0.08 -2.21 0.00 0.00 174.62 174.23 1b48 h ARG 38 N 1.92 0.00 0.00 7.08 0.11 -1.90 -1.04 114.38 120.55 1b48 h ARG 38 Ca -0.48 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 1b48 h ARG 38 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 1b48 h ARG 38 CO 0.65 0.12 -0.02 0.93 0.10 0.00 0.00 179.97 181.75 1b48 h GLU 39 N 0.00 0.00 0.05 0.08 3.07 -1.93 0.93 114.58 116.79 1b48 h GLU 39 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1b48 h GLU 39 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1b48 h GLU 39 CO 0.01 0.02 -0.03 1.96 -1.40 0.00 0.00 179.01 179.58 1b48 h GLN 40 N 0.00 -0.07 -0.19 2.33 4.20 -1.58 -2.50 115.11 117.31 1b48 h GLN 40 Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1b48 h GLN 40 Cb 0.10 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1b48 h GLN 40 CO 0.00 0.52 -0.41 -0.92 -0.67 0.00 0.00 178.83 177.35 1b48 h TYR 41 N -0.92 -1.18 0.59 2.96 3.20 -1.24 0.18 116.97 120.56 1b48 h TYR 41 Ca -0.01 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1b48 h TYR 41 Cb 0.62 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1b48 h TYR 41 CO 0.15 -0.46 -0.51 0.93 -1.64 0.00 0.00 178.16 176.63 1b48 h GLU 42 N -0.45 -1.04 -0.63 1.82 5.08 -1.00 0.74 114.58 119.11 1b48 h GLU 42 Ca 0.09 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1b48 h GLU 42 Cb 0.61 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1b48 h GLU 42 CO -0.43 -0.69 0.42 -0.22 -1.00 0.00 0.00 179.01 177.09 1b48 h LYS 43 N -1.08 0.36 0.06 2.33 1.63 -1.21 0.23 116.57 118.90 1b48 h LYS 43 Ca -0.08 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.55 1b48 h LYS 43 Cb 0.91 -0.08 0.02 0.00 -0.60 0.00 0.00 32.23 32.48 1b48 h LYS 43 CO -0.02 0.24 -0.63 1.98 -3.45 0.00 0.00 179.45 177.57 1b48 h MET 44 N 0.37 0.31 0.00 1.90 4.05 -0.42 -2.95 114.93 118.20 1b48 h MET 44 Ca 0.29 -0.42 -0.03 0.00 -0.28 0.00 0.00 59.70 59.26 1b48 h MET 44 Cb 0.65 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1b48 h MET 44 CO -0.08 1.14 -0.13 0.37 0.23 0.00 0.00 176.91 178.45 1b48 h GLN 45 N -0.32 0.00 0.00 0.39 4.15 -0.30 -1.52 115.11 117.52 1b48 h GLN 45 Ca -0.10 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 1b48 h GLN 45 Cb 1.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.09 1b48 h GLN 45 CO 0.12 0.13 -0.41 0.87 -1.93 0.00 0.00 178.83 177.61 1b48 h LYS 46 N 0.00 0.00 -0.05 1.69 1.57 -0.50 -2.62 116.57 116.66 1b48 h LYS 46 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b48 h LYS 46 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1b48 h LYS 46 CO 0.02 0.41 0.00 -0.25 -0.57 0.00 0.00 179.45 179.05 1b48 n ASP 47 N -3.55 0.81 -2.50 0.86 8.00 -0.58 -4.91 116.55 114.68 1b48 n ASP 47 Ca -0.00 -1.41 -0.16 0.00 0.71 0.00 0.00 54.79 53.92 1b48 n ASP 47 Cb 0.53 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1b48 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b48 n GLY 48 N 1.03 -0.11 0.13 0.44 0.00 -0.99 -4.90 105.19 100.78 1b48 n GLY 48 Ca 0.18 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1b48 n GLY 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1b48 h HIS 49 N -1.59 0.72 -3.57 1.61 3.86 -1.76 -3.44 115.15 110.97 1b48 h HIS 49 Ca -0.39 -0.53 -0.61 0.00 -1.16 0.00 0.00 60.37 57.68 1b48 h HIS 49 Cb 1.26 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.57 1b48 h HIS 49 CO 0.35 1.44 -0.15 -0.51 0.86 0.00 0.00 177.93 179.92 1b48 s LEU 50 N -7.34 4.10 0.00 2.43 1.43 -1.26 -4.89 118.68 113.15 1b48 s LEU 50 Ca -0.07 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1b48 s LEU 50 Cb 0.06 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1b48 s LEU 50 CO 0.91 -0.16 0.63 0.18 0.23 0.00 0.00 176.35 178.13 1b48 n LEU 51 N 4.99 0.00 -1.29 1.79 7.99 -1.26 -3.22 117.00 126.00 1b48 n LEU 51 Ca -0.07 0.63 0.05 0.00 -0.01 0.00 0.00 56.01 56.61 1b48 n LEU 51 Cb 0.51 -0.13 0.25 0.00 -0.11 0.00 0.00 43.42 43.93 1b48 n LEU 51 CO 0.39 -0.13 0.65 0.49 -1.51 0.00 0.00 177.39 177.28 1b48 n PHE 52 N -1.07 1.20 -3.05 -1.77 3.72 -1.26 -4.90 117.46 110.33 1b48 n PHE 52 Ca 0.00 -0.43 -0.13 0.00 -0.05 0.00 0.00 57.45 56.84 1b48 n PHE 52 Cb 0.00 -0.30 0.05 0.00 -0.94 0.00 0.00 39.48 38.29 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 0.54 0.03 3.03 1.37 0.00 -1.20 -5.05 105.19 103.92 1b48 n GLY 53 Ca 0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.45 0.16 0.69 1.61 -2.07 -1.26 -5.08 119.66 108.26 1b48 s GLN 54 Ca 0.23 0.77 -0.12 0.00 -1.82 0.00 0.00 55.36 54.42 1b48 s GLN 54 Cb -0.10 -0.01 0.01 0.00 -1.09 0.00 0.00 33.01 31.82 1b48 s GLN 54 CO 0.43 -0.28 1.07 0.14 -1.32 0.00 0.00 175.29 175.33 1b48 s VAL 55 N 2.41 3.83 0.16 3.63 -7.23 -1.26 -4.72 120.40 117.22 1b48 s VAL 55 Ca 0.01 0.65 -0.34 0.00 -1.81 0.00 0.00 61.98 60.49 1b48 s VAL 55 Cb -0.12 -3.29 -0.16 0.00 0.56 0.00 0.00 36.38 33.37 1b48 s VAL 55 CO -0.09 -0.72 1.26 -2.65 -0.31 0.00 0.00 175.10 172.59 1b48 n PRO 56 N -2.99 1.33 -4.99 4.82 -0.02 -1.26 -5.02 135.00 126.87 1b48 n PRO 56 Ca 0.08 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1b48 n PRO 56 Cb 0.53 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.81 1b48 n PRO 56 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1b48 s LEU 57 N 0.56 2.45 -0.39 2.45 2.96 -1.12 -4.26 118.68 121.33 1b48 s LEU 57 Ca 0.76 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1b48 s LEU 57 Cb -0.84 -1.51 0.16 0.00 0.50 0.00 0.00 46.19 44.49 1b48 s LEU 57 CO 0.50 0.20 0.39 -0.69 -1.32 0.00 0.00 176.35 175.43 1b48 s VAL 58 N 0.12 -0.23 0.01 1.68 1.01 -0.98 -0.70 120.40 121.30 1b48 s VAL 58 Ca -0.09 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 1b48 s VAL 58 Cb -0.15 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1b48 s VAL 58 CO 0.06 -0.69 1.44 -1.83 0.00 0.00 0.00 175.10 174.08 1b48 s GLU 59 N 1.08 4.27 -0.05 2.72 -1.05 -1.25 -3.27 118.70 121.15 1b48 s GLU 59 Ca 0.21 2.02 -0.27 0.00 -0.15 0.00 0.00 54.97 56.78 1b48 s GLU 59 Cb -0.11 -3.59 0.06 0.00 -0.44 0.00 0.00 34.13 30.05 1b48 s GLU 59 CO -0.05 -0.60 0.60 -1.50 0.95 0.00 0.00 175.26 174.65 1b48 s ILE 60 N 2.48 0.01 -1.44 1.83 2.07 -0.92 -3.35 121.20 121.87 1b48 s ILE 60 Ca 0.65 -0.10 -0.11 0.00 -1.41 0.00 0.00 60.65 59.68 1b48 s ILE 60 Cb -0.32 -0.91 0.07 0.00 0.13 0.00 0.00 42.46 41.42 1b48 s ILE 60 CO 0.27 -0.06 0.71 0.47 -1.91 0.00 0.00 174.94 174.42 1b48 n ASP 61 N 1.07 -4.53 0.00 4.50 9.92 -1.26 -0.39 116.55 125.86 1b48 n ASP 61 Ca -0.19 -0.54 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1b48 n ASP 61 Cb 0.57 -3.67 0.00 0.00 -0.64 0.00 0.00 41.12 37.37 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 -1.43 2.58 3.75 0.44 0.00 -1.26 -4.98 105.19 104.28 1b48 n GLY 62 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1b48 n GLY 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b48 n MET 63 N -1.98 -0.29 -3.28 1.61 2.81 0.48 -5.10 117.12 111.38 1b48 n MET 63 Ca 0.00 -2.52 -0.21 0.00 -1.81 0.00 0.00 57.70 53.16 1b48 n MET 63 Cb 0.00 -0.76 -0.08 0.00 -0.71 0.00 0.00 33.22 31.68 1b48 n MET 63 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1b48 s MET 64 N -5.15 0.83 0.67 0.03 1.75 -1.26 -2.18 119.30 113.99 1b48 s MET 64 Ca 0.66 -1.54 -0.13 0.00 -1.25 0.00 0.00 55.69 53.42 1b48 s MET 64 Cb -0.03 -0.99 -0.00 0.00 2.84 0.00 0.00 34.83 36.65 1b48 s MET 64 CO 0.44 -1.31 1.07 -0.51 -0.65 0.00 0.00 175.02 174.05 1b48 s LEU 65 N 0.64 3.27 0.00 4.11 1.43 -1.20 -4.89 118.68 122.04 1b48 s LEU 65 Ca 0.27 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1b48 s LEU 65 Cb -0.04 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.66 1b48 s LEU 65 CO -0.11 -1.46 0.08 1.07 0.23 0.00 0.00 176.35 176.16 1b48 n THR 66 N -2.73 0.00 -3.99 5.49 5.66 -1.26 -2.32 114.28 115.12 1b48 n THR 66 Ca 0.08 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.78 1b48 n THR 66 Cb 0.53 0.95 -0.15 0.00 -1.55 0.00 0.00 70.33 70.11 1b48 n THR 66 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1b48 s GLN 67 N 0.00 1.57 0.00 1.09 -1.52 -1.26 -4.53 119.66 115.00 1b48 s GLN 67 Ca 0.00 -2.02 0.00 0.00 -1.95 0.00 0.00 55.36 51.39 1b48 s GLN 67 Cb 0.00 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.60 1b48 s GLN 67 CO 0.00 -0.98 0.00 0.25 -0.25 0.00 0.00 175.29 174.31 1b48 n THR 68 N 4.01 0.00 -0.29 -0.19 -2.24 -1.26 0.01 114.28 114.31 1b48 n THR 68 Ca 0.04 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.05 1b48 n THR 68 Cb 0.40 0.00 0.42 0.00 -2.10 0.00 0.00 70.33 69.05 1b48 n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b48 n ARG 69 N -0.10 -0.06 0.36 -0.78 5.12 -1.26 0.98 116.66 120.92 1b48 n ARG 69 Ca 0.00 1.27 -0.17 0.00 -1.93 0.00 0.00 57.85 57.02 1b48 n ARG 69 Cb 0.00 -2.17 -0.09 0.00 -1.16 0.00 0.00 32.46 29.04 1b48 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b48 h ALA 70 N 1.78 -0.90 -0.78 7.54 0.00 -0.86 -1.49 119.26 124.55 1b48 h ALA 70 Ca 0.67 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.55 1b48 h ALA 70 Cb 1.65 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 19.67 1b48 h ALA 70 CO -0.75 -0.95 0.22 0.82 0.00 0.00 0.00 179.25 178.58 1b48 h ILE 71 N -1.00 0.48 -0.31 0.00 2.04 0.19 0.28 117.51 119.19 1b48 h ILE 71 Ca -0.09 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1b48 h ILE 71 Cb 0.72 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1b48 h ILE 71 CO 0.15 0.05 0.13 -0.07 0.00 0.00 0.00 178.15 178.42 1b48 h LEU 72 N 0.28 0.43 -0.76 1.44 4.07 -0.97 -1.94 115.31 117.85 1b48 h LEU 72 Ca 0.46 -0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.30 1b48 h LEU 72 Cb 0.81 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.39 1b48 h LEU 72 CO -0.54 0.46 0.48 0.28 -1.08 0.00 0.00 178.44 178.04 1b48 h SER 73 N 0.36 0.77 0.59 -0.43 0.02 0.48 0.47 113.55 115.81 1b48 h SER 73 Ca 0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1b48 h SER 73 Cb 0.16 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1b48 h SER 73 CO -0.01 0.52 -0.28 0.22 -1.14 0.00 0.00 176.83 176.14 1b48 h TYR 74 N 0.92 -0.73 -0.15 3.45 3.20 -0.44 -2.50 116.97 120.71 1b48 h TYR 74 Ca 0.31 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.19 1b48 h TYR 74 Cb 0.06 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 1b48 h TYR 74 CO -0.04 -0.46 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.57 1b48 h LEU 75 N -0.86 -1.24 -1.11 2.82 4.07 -1.22 -0.17 115.31 117.60 1b48 h LEU 75 Ca -0.08 0.15 0.34 0.00 0.08 0.00 0.00 57.88 58.37 1b48 h LEU 75 Cb 0.61 0.49 -0.14 0.00 1.08 0.00 0.00 40.66 42.70 1b48 h LEU 75 CO 0.13 -0.32 0.63 0.00 -1.08 0.00 0.00 178.44 177.80 1b48 h ALA 76 N -0.57 2.13 -0.07 1.53 0.00 -0.98 0.18 119.26 121.48 1b48 h ALA 76 Ca 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1b48 h ALA 76 Cb 0.46 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1b48 h ALA 76 CO -0.34 -0.74 -0.16 0.00 0.00 0.00 0.00 179.25 178.02 1b48 h ALA 77 N 1.79 0.11 0.36 0.00 0.00 -0.78 0.64 119.26 121.39 1b48 h ALA 77 Ca 0.74 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1b48 h ALA 77 Cb 1.84 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1b48 h ALA 77 CO -0.55 0.03 -0.39 -0.22 0.00 0.00 0.00 179.25 178.11 1b48 h LYS 78 N -0.27 -0.73 -1.35 0.00 3.64 0.10 -2.71 116.57 115.25 1b48 h LYS 78 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1b48 h LYS 78 Cb 0.75 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1b48 h LYS 78 CO 0.03 -0.49 0.00 0.66 -2.27 0.00 0.00 179.45 177.38 1b48 n TYR 79 N -4.79 0.00 -3.54 1.91 4.01 -0.38 -4.84 117.16 109.53 1b48 n TYR 79 Ca -0.09 -0.42 -0.25 0.00 -0.16 0.00 0.00 57.90 56.98 1b48 n TYR 79 Cb 0.35 -0.24 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1b48 n TYR 79 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1b48 n ASN 80 N 0.76 -4.36 -2.78 7.72 5.15 -1.02 -4.91 115.26 115.81 1b48 n ASN 80 Ca 0.00 -0.69 -0.01 0.00 -0.60 0.00 0.00 54.58 53.28 1b48 n ASN 80 Cb 0.37 -1.40 0.08 0.00 -0.53 0.00 0.00 39.78 38.30 1b48 n ASN 80 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1b48 n LEU 81 N -1.83 0.50 -3.18 1.20 4.77 0.22 -4.96 117.00 113.71 1b48 n LEU 81 Ca -0.24 -3.09 -0.21 0.00 -0.03 0.00 0.00 56.01 52.44 1b48 n LEU 81 Cb 0.61 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 42.00 1b48 n LEU 81 CO 0.55 1.27 -0.26 0.00 -1.33 0.00 0.00 177.39 177.62 1b48 n TYR 82 N -0.93 -0.14 -3.01 -1.77 4.19 -1.24 -1.84 117.16 112.42 1b48 n TYR 82 Ca -0.02 -3.67 0.01 0.00 3.31 0.00 0.00 57.90 57.54 1b48 n TYR 82 Cb 0.83 -0.36 -0.00 0.00 0.49 0.00 0.00 39.34 40.30 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 0.84 -0.63 0.01 2.98 0.00 -1.26 -4.35 105.19 102.78 1b48 n GLY 83 Ca 0.23 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1b48 n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b48 n LYS 84 N -1.39 0.61 -1.78 1.61 2.85 -1.26 -4.91 118.16 113.88 1b48 n LYS 84 Ca 0.00 -0.16 -0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1b48 n LYS 84 Cb 0.03 -1.44 -0.00 0.00 -0.65 0.00 0.00 35.03 32.97 1b48 n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1b48 n ASP 85 N -2.18 -0.03 0.25 -5.58 5.68 -1.26 -5.05 116.55 108.37 1b48 n ASP 85 Ca -0.05 -1.06 0.15 0.00 -0.50 0.00 0.00 54.79 53.33 1b48 n ASP 85 Cb 0.52 0.07 0.44 0.00 -1.14 0.00 0.00 41.12 41.01 1b48 n ASP 85 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1b48 h LEU 86 N 0.00 0.00 -0.11 -2.12 3.38 -1.96 -2.28 115.31 112.23 1b48 h LEU 86 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1b48 h LEU 86 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1b48 h LEU 86 CO 0.01 0.00 -0.81 0.07 0.09 0.00 0.00 178.44 177.81 1b48 h LYS 87 N 0.00 0.74 -0.29 1.13 2.10 -1.98 -1.55 116.57 116.72 1b48 h LYS 87 Ca 0.00 -0.65 -0.13 0.00 -2.00 0.00 0.00 60.65 57.88 1b48 h LYS 87 Cb 0.74 0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1b48 h LYS 87 CO 0.00 1.25 -0.31 0.93 -2.00 0.00 0.00 179.45 179.32 1b48 h GLU 88 N 0.44 0.72 -0.56 0.07 5.08 -1.92 -1.70 114.58 116.71 1b48 h GLU 88 Ca -0.07 -0.39 0.11 0.00 -1.00 0.00 0.00 59.36 58.01 1b48 h GLU 88 Cb 1.45 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.62 1b48 h GLU 88 CO 0.16 1.01 0.04 -0.09 -1.00 0.00 0.00 179.01 179.13 1b48 h ARG 89 N 0.47 0.15 -0.30 2.33 1.12 -1.34 -0.62 114.38 116.19 1b48 h ARG 89 Ca 0.04 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.76 1b48 h ARG 89 Cb 0.88 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.81 1b48 h ARG 89 CO 0.08 0.10 -0.36 -0.24 -3.11 0.00 0.00 179.97 176.43 1b48 h VAL 90 N 0.16 1.29 -0.40 0.20 3.04 -1.19 -1.10 116.25 118.26 1b48 h VAL 90 Ca 0.29 -1.54 0.07 0.00 -1.01 0.00 0.00 66.70 64.51 1b48 h VAL 90 Cb 0.45 1.58 -0.06 0.00 -2.01 0.00 0.00 31.29 31.24 1b48 h VAL 90 CO -0.44 0.50 0.03 -0.09 -1.01 0.00 0.00 177.57 176.56 1b48 h ARG 91 N 0.54 0.14 -0.84 4.17 2.43 -0.40 0.40 114.38 120.81 1b48 h ARG 91 Ca 0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1b48 h ARG 91 Cb 0.95 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1b48 h ARG 91 CO 0.09 0.09 0.55 0.82 -1.51 0.00 0.00 179.97 180.01 1b48 h ILE 92 N 0.14 1.22 -0.37 1.20 2.04 -1.06 -2.36 117.51 118.31 1b48 h ILE 92 Ca 0.19 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1b48 h ILE 92 Cb 0.26 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1b48 h ILE 92 CO -0.30 0.21 0.11 0.44 0.00 0.00 0.00 178.15 178.62 1b48 h ASP 93 N 1.14 0.48 0.03 1.72 3.32 0.34 0.87 116.42 124.33 1b48 h ASP 93 Ca 0.31 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1b48 h ASP 93 Cb -0.12 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1b48 h ASP 93 CO -0.07 0.47 -0.02 0.24 -1.72 0.00 0.00 179.24 178.15 1b48 h MET 94 N 0.53 -0.04 -0.24 3.56 2.86 -0.54 -2.46 114.93 118.59 1b48 h MET 94 Ca 0.13 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1b48 h MET 94 Cb 0.17 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1b48 h MET 94 CO -0.01 0.42 -0.05 1.88 1.06 0.00 0.00 176.91 180.22 1b48 h TYR 95 N -0.52 -0.10 -0.02 -0.22 0.05 -1.17 0.53 116.97 115.51 1b48 h TYR 95 Ca -0.00 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1b48 h TYR 95 Cb 0.48 0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 1b48 h TYR 95 CO 0.09 -0.09 0.04 0.00 -1.05 0.00 0.00 178.16 177.15 1b48 h ALA 96 N 1.23 1.40 0.05 3.88 0.00 -0.87 -2.18 119.26 122.76 1b48 h ALA 96 Ca 0.11 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1b48 h ALA 96 Cb 0.17 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1b48 h ALA 96 CO -0.23 -0.05 -0.95 0.22 0.00 0.00 0.00 179.25 178.24 1b48 h ASP 97 N 0.00 0.75 -0.34 0.00 3.58 -0.40 -1.88 116.42 118.13 1b48 h ASP 97 Ca 0.01 -0.79 -0.09 0.00 0.42 0.00 0.00 57.03 56.58 1b48 h ASP 97 Cb 0.09 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1b48 h ASP 97 CO -0.00 1.45 -0.14 1.23 -2.88 0.00 0.00 179.24 178.90 1b48 h GLY 98 N 0.14 0.76 1.01 -0.78 0.00 -1.03 -0.21 103.07 102.95 1b48 h GLY 98 Ca -0.13 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.54 1b48 h GLY 98 CO 0.18 0.60 0.42 -0.91 0.00 0.00 0.00 176.54 176.84 1b48 h THR 99 N 0.48 1.16 0.00 4.70 1.35 -1.53 0.18 112.91 119.26 1b48 h THR 99 Ca 0.08 -0.30 -0.06 0.00 -0.55 0.00 0.00 66.41 65.58 1b48 h THR 99 Cb 0.66 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 1b48 h THR 99 CO 0.04 0.16 -0.30 1.56 -0.25 0.00 0.00 175.52 176.74 1b48 h GLN 100 N 0.86 0.00 0.07 4.72 1.08 -1.18 0.03 115.11 120.69 1b48 h GLN 100 Ca 0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1b48 h GLN 100 Cb -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1b48 h GLN 100 CO -0.05 0.30 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.65 1b48 h ASP 101 N 0.00 -0.08 0.38 1.46 3.32 0.41 -2.33 116.42 119.59 1b48 h ASP 101 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1b48 h ASP 101 Cb 0.62 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1b48 h ASP 101 CO 0.04 0.41 -0.33 0.25 -1.72 0.00 0.00 179.24 177.88 1b48 h LEU 102 N -0.59 -0.88 -2.48 1.55 5.85 -0.42 -1.10 115.31 117.24 1b48 h LEU 102 Ca -0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1b48 h LEU 102 Cb 0.50 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1b48 h LEU 102 CO 0.02 -0.48 0.17 0.24 -0.34 0.00 0.00 178.44 178.05 1b48 h MET 103 N -0.72 0.00 -0.03 1.25 2.86 -1.06 -2.78 114.93 114.45 1b48 h MET 103 Ca -0.03 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1b48 h MET 103 Cb 0.64 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1b48 h MET 103 CO -0.03 0.00 -0.50 0.52 1.06 0.00 0.00 176.91 177.96 1b48 h MET 104 N 0.00 0.39 0.00 1.72 2.86 -0.61 -1.69 114.93 117.61 1b48 h MET 104 Ca 0.01 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 1b48 h MET 104 Cb 0.35 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1b48 h MET 104 CO -0.00 1.05 -0.33 0.00 1.06 0.00 0.00 176.91 178.68 1b48 h MET 105 N -0.11 0.00 0.49 1.72 -0.00 -1.43 -2.41 114.93 113.18 1b48 h MET 105 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 1b48 h MET 105 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1b48 h MET 105 CO 0.10 0.33 -0.24 0.82 -0.00 0.00 0.00 176.91 177.93 1b48 h ILE 106 N 0.00 0.33 -0.08 -0.10 2.04 -1.57 -1.26 117.51 116.87 1b48 h ILE 106 Ca -0.00 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1b48 h ILE 106 Cb 0.67 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1b48 h ILE 106 CO 0.04 0.06 0.23 0.00 0.00 0.00 0.00 178.15 178.48 1b48 h ALA 107 N -0.76 1.44 0.00 1.87 0.00 -1.14 -1.21 119.26 119.46 1b48 h ALA 107 Ca -0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1b48 h ALA 107 Cb 0.60 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1b48 h ALA 107 CO 0.11 -0.28 -2.03 0.28 0.00 0.00 0.00 179.25 177.34 1b48 n VAL 108 N -3.22 0.65 -0.35 0.00 0.31 -0.92 -4.64 118.33 110.16 1b48 n VAL 108 Ca -0.01 -0.65 0.05 0.00 -0.01 0.00 0.00 64.34 63.72 1b48 n VAL 108 Cb 0.32 -0.26 0.13 0.00 -0.91 0.00 0.00 33.84 33.11 1b48 n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b48 h ALA 109 N 1.58 0.60 -0.16 3.52 0.00 0.04 -1.05 119.26 123.79 1b48 h ALA 109 Ca -0.21 0.37 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1b48 h ALA 109 Cb 1.51 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 20.04 1b48 h ALA 109 CO 0.02 -0.40 0.31 -1.00 0.00 0.00 0.00 179.25 178.17 1b48 h PRO 110 N -0.00 0.00 -0.04 0.00 0.13 -1.82 -2.53 132.00 127.73 1b48 h PRO 110 Ca 0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.40 1b48 h PRO 110 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1b48 h PRO 110 CO -0.99 0.00 -0.77 0.74 -0.23 0.00 0.00 178.00 176.75 1b48 h PHE 111 N 0.00 0.39 0.00 1.56 0.04 -1.52 -3.43 116.94 113.98 1b48 h PHE 111 Ca 0.08 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1b48 h PHE 111 Cb 0.69 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1b48 h PHE 111 CO 0.00 0.94 0.00 1.63 -0.60 0.00 0.00 178.31 180.28 1b48 n LYS 112 N -3.77 0.00 -3.59 1.51 5.02 -0.96 -5.06 118.16 111.31 1b48 n LYS 112 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 1b48 n LYS 112 Cb 0.73 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.68 1b48 n LYS 112 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1b48 s THR 113 N 0.00 0.00 0.28 -0.18 2.01 -1.26 -5.04 115.64 111.45 1b48 s THR 113 Ca 0.00 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.09 1b48 s THR 113 Cb 0.00 -1.00 0.32 0.00 0.01 0.00 0.00 72.50 71.83 1b48 s THR 113 CO 0.00 0.00 1.31 -2.65 -0.69 0.00 0.00 174.62 172.59 1b48 n PRO 114 N 1.51 -0.06 0.10 4.92 -0.02 -1.26 -0.08 135.00 140.11 1b48 n PRO 114 Ca -0.13 1.20 -0.12 0.00 -2.02 0.00 0.00 63.50 62.43 1b48 n PRO 114 Cb 0.57 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1b48 n PRO 114 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1b48 h LYS 115 N 0.00 -0.30 -0.26 -0.52 3.11 -2.02 -2.76 116.57 113.83 1b48 h LYS 115 Ca 0.60 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 58.44 1b48 h LYS 115 Cb 1.42 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.70 1b48 h LYS 115 CO -0.72 -0.20 0.08 0.93 -2.81 0.00 0.00 179.45 176.73 1b48 h GLU 116 N -0.31 0.40 -0.93 1.90 3.07 -0.89 -3.26 114.58 114.56 1b48 h GLU 116 Ca 0.02 -0.09 0.16 0.00 -0.50 0.00 0.00 59.36 58.95 1b48 h GLU 116 Cb 0.32 -0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 28.02 1b48 h GLU 116 CO -0.08 0.47 -0.32 1.63 -1.40 0.00 0.00 179.01 179.31 1b48 n LYS 117 N -4.74 -0.18 0.21 2.33 5.02 -0.14 -1.02 118.16 119.64 1b48 n LYS 117 Ca -0.03 1.43 -0.13 0.00 -2.02 0.00 0.00 58.31 57.56 1b48 n LYS 117 Cb 0.16 -2.13 -0.07 0.00 -0.02 0.00 0.00 35.03 32.96 1b48 n LYS 117 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1b48 h GLU 118 N 0.00 -0.71 -0.36 1.97 4.81 -1.55 0.35 114.58 119.10 1b48 h GLU 118 Ca 0.36 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.70 1b48 h GLU 118 Cb 0.59 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1b48 h GLU 118 CO -0.93 -0.47 -0.47 0.93 -0.73 0.00 0.00 179.01 177.34 1b48 h GLU 119 N -0.73 -0.37 -0.23 1.92 5.08 -1.41 0.27 114.58 119.10 1b48 h GLU 119 Ca -0.04 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1b48 h GLU 119 Cb 0.64 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1b48 h GLU 119 CO -0.06 -0.25 -0.13 0.66 -1.00 0.00 0.00 179.01 178.23 1b48 h SER 120 N -0.38 -0.42 -0.37 1.42 4.64 -0.93 0.51 113.55 118.01 1b48 h SER 120 Ca 0.11 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1b48 h SER 120 Cb 0.60 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1b48 h SER 120 CO -0.55 -0.16 0.17 1.88 -0.87 0.00 0.00 176.83 177.29 1b48 h TYR 121 N -0.11 0.59 -0.31 4.77 0.05 0.73 0.42 116.97 123.12 1b48 h TYR 121 Ca 0.13 -0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.76 1b48 h TYR 121 Cb 0.30 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 1b48 h TYR 121 CO -0.30 0.47 -0.31 -0.44 -1.05 0.00 0.00 178.16 176.52 1b48 h ASP 122 N 0.60 0.81 -0.20 3.88 3.32 0.56 -2.00 116.42 123.38 1b48 h ASP 122 Ca 0.15 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1b48 h ASP 122 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1b48 h ASP 122 CO -0.02 1.12 0.11 0.25 -1.72 0.00 0.00 179.24 178.98 1b48 h LEU 123 N 0.52 0.18 -0.48 1.55 6.46 0.12 0.14 115.31 123.80 1b48 h LEU 123 Ca 0.05 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1b48 h LEU 123 Cb 0.89 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.73 1b48 h LEU 123 CO 0.08 0.14 0.18 0.40 -0.62 0.00 0.00 178.44 178.61 1b48 h ILE 124 N 0.24 0.85 0.40 4.05 2.04 -0.05 0.69 117.51 125.72 1b48 h ILE 124 Ca 0.08 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1b48 h ILE 124 Cb -0.00 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1b48 h ILE 124 CO -0.04 0.07 -0.19 -0.07 0.00 0.00 0.00 178.15 177.92 1b48 h LEU 125 N 0.36 -0.45 -1.91 1.44 -0.00 -0.83 0.38 115.31 114.29 1b48 h LEU 125 Ca 0.23 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1b48 h LEU 125 Cb 0.23 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1b48 h LEU 125 CO -0.23 -0.16 0.07 0.77 -0.00 0.00 0.00 178.44 178.89 1b48 h SER 126 N -0.75 0.10 0.06 -0.43 4.64 -0.37 0.29 113.55 117.09 1b48 h SER 126 Ca -0.05 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1b48 h SER 126 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1b48 h SER 126 CO 0.09 0.07 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.00 1b48 h ARG 127 N 0.12 -0.07 -0.79 4.77 9.65 0.58 -2.91 114.38 125.73 1b48 h ARG 127 Ca 0.04 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1b48 h ARG 127 Cb 0.01 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1b48 h ARG 127 CO -0.01 0.54 0.51 0.00 2.80 0.00 0.00 179.97 183.81 1b48 h ALA 128 N -0.05 1.02 -0.70 2.80 0.00 0.35 1.03 119.26 123.71 1b48 h ALA 128 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1b48 h ALA 128 Cb 0.64 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1b48 h ALA 128 CO 0.01 0.35 0.15 1.57 0.00 0.00 0.00 179.25 181.33 1b48 h LYS 129 N 1.01 1.14 0.00 0.00 2.10 -0.53 -2.15 116.57 118.13 1b48 h LYS 129 Ca 0.31 -0.28 -0.44 0.00 -2.00 0.00 0.00 60.65 58.24 1b48 h LYS 129 Cb -0.04 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.08 1b48 h LYS 129 CO -0.09 1.01 -2.45 0.25 -2.00 0.00 0.00 179.45 176.17 1b48 n THR 130 N -4.22 1.50 0.04 0.07 -2.24 -1.08 -4.07 114.28 104.29 1b48 n THR 130 Ca 0.05 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1b48 n THR 130 Cb 0.27 -1.90 -0.04 0.00 -2.10 0.00 0.00 70.33 66.56 1b48 n THR 130 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1b48 h ARG 131 N -0.98 -0.29 0.00 -0.78 9.65 0.95 -3.38 114.38 119.55 1b48 h ARG 131 Ca -0.66 0.02 -0.21 0.00 -1.10 0.00 0.00 59.98 58.03 1b48 h ARG 131 Cb 1.57 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 30.19 1b48 h ARG 131 CO -0.40 -0.19 -1.59 0.66 2.80 0.00 0.00 179.97 181.25 1b48 n TYR 132 N -5.33 0.00 -0.14 2.20 4.01 -1.21 -4.63 117.16 112.07 1b48 n TYR 132 Ca -0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.66 1b48 n TYR 132 Cb 0.24 -0.53 0.04 0.00 -0.31 0.00 0.00 39.34 38.78 1b48 n TYR 132 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1b48 h PHE 133 N -0.61 -0.11 -0.27 -0.72 0.04 -1.62 -1.32 116.94 112.33 1b48 h PHE 133 Ca -0.32 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.52 1b48 h PHE 133 Cb 1.17 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.42 1b48 h PHE 133 CO -0.11 -0.14 0.18 -1.35 -0.60 0.00 0.00 178.31 176.29 1b48 h PRO 134 N 0.06 0.25 0.34 1.51 0.11 -1.74 -0.32 132.00 132.21 1b48 h PRO 134 Ca 0.22 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1b48 h PRO 134 Cb 0.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1b48 h PRO 134 CO -0.41 0.16 -0.17 0.28 -0.21 0.00 0.00 178.00 177.66 1b48 h VAL 135 N 0.25 0.56 -0.26 3.15 2.07 -1.54 -2.60 116.25 117.88 1b48 h VAL 135 Ca 0.11 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1b48 h VAL 135 Cb 0.13 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1b48 h VAL 135 CO -0.02 0.11 0.05 -0.26 0.02 0.00 0.00 177.57 177.47 1b48 h PHE 136 N -0.89 0.09 -0.18 1.57 0.04 -0.94 -2.26 116.94 114.37 1b48 h PHE 136 Ca -0.05 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.78 1b48 h PHE 136 Cb 0.53 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.61 1b48 h PHE 136 CO 0.03 0.03 -0.49 1.49 -0.60 0.00 0.00 178.31 178.77 1b48 h GLU 137 N 0.15 -0.49 -0.93 1.51 4.81 -1.13 -0.41 114.58 118.08 1b48 h GLU 137 Ca 0.12 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.60 1b48 h GLU 137 Cb 0.12 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 1b48 h GLU 137 CO -0.15 -0.33 0.47 -0.22 -0.73 0.00 0.00 179.01 178.05 1b48 h LYS 138 N -0.51 0.49 0.56 1.92 3.64 -1.20 -1.53 116.57 119.94 1b48 h LYS 138 Ca 0.06 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1b48 h LYS 138 Cb 0.65 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1b48 h LYS 138 CO -0.45 0.33 -0.27 0.82 -2.27 0.00 0.00 179.45 177.60 1b48 h ILE 139 N 0.51 0.41 -1.01 2.00 2.04 -0.53 -1.89 117.51 119.04 1b48 h ILE 139 Ca 0.57 -0.19 0.23 0.00 1.00 0.00 0.00 64.86 66.47 1b48 h ILE 139 Cb 1.05 0.48 -0.11 0.00 -0.74 0.00 0.00 36.82 37.50 1b48 h ILE 139 CO -0.48 0.03 0.62 -0.07 0.00 0.00 0.00 178.15 178.25 1b48 h LEU 140 N -0.88 0.64 -0.01 1.44 -0.00 -0.27 -1.14 115.31 115.09 1b48 h LEU 140 Ca -0.08 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1b48 h LEU 140 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1b48 h LEU 140 CO 0.13 0.15 -0.00 0.11 -0.00 0.00 0.00 178.44 178.82 1b48 h LYS 141 N 0.58 0.01 0.04 1.13 1.57 -1.23 -1.78 116.57 116.88 1b48 h LYS 141 Ca 0.61 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1b48 h LYS 141 Cb 1.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1b48 h LYS 141 CO -0.39 0.37 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.28 1b48 h ASP 142 N -0.35 -0.41 -0.07 0.86 3.32 -0.37 -2.06 116.42 117.34 1b48 h ASP 142 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1b48 h ASP 142 Cb 0.36 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1b48 h ASP 142 CO 0.00 -0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 1b48 n HIS 143 N -3.22 0.10 -0.38 4.55 1.44 -1.04 -4.96 115.22 111.71 1b48 n HIS 143 Ca -0.02 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 1b48 n HIS 143 Cb 0.11 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.21 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 0.60 0.00 3.81 -1.39 0.00 -0.67 -4.92 105.19 102.61 1b48 n GLY 144 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1b48 n GLY 144 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b48 s GLU 145 N 0.00 1.53 0.04 1.61 -1.05 -1.24 -5.07 118.70 114.52 1b48 s GLU 145 Ca 0.00 -0.89 -0.10 0.00 -0.15 0.00 0.00 54.97 53.83 1b48 s GLU 145 Cb 0.00 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1b48 s GLU 145 CO 0.00 -0.70 1.17 0.00 0.95 0.00 0.00 175.26 176.67 1b48 h ALA 146 N 2.00 -0.43 -2.68 -0.84 0.00 -1.95 -3.43 119.26 111.93 1b48 h ALA 146 Ca -0.24 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 1b48 h ALA 146 Cb 1.24 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 1b48 h ALA 146 CO 0.28 -0.52 -0.40 -0.06 0.00 0.00 0.00 179.25 178.56 1b48 s PHE 147 N -3.80 3.49 0.34 0.00 0.40 -1.26 -4.99 117.98 112.16 1b48 s PHE 147 Ca -0.04 0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.70 1b48 s PHE 147 Cb 0.03 -1.83 0.82 0.00 0.51 0.00 0.00 43.02 42.54 1b48 s PHE 147 CO 0.19 0.47 1.82 1.25 0.70 0.00 0.00 175.22 179.65 1b48 h LEU 148 N 2.51 0.68 0.00 -0.37 5.85 -1.89 -3.39 115.31 118.70 1b48 h LEU 148 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1b48 h LEU 148 Cb 1.18 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1b48 h LEU 148 CO 0.71 0.29 0.00 1.33 -0.34 0.00 0.00 178.44 180.43 1b48 n VAL 149 N -4.64 0.00 -2.07 1.05 0.24 -1.26 -4.91 118.33 106.74 1b48 n VAL 149 Ca 0.21 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.13 1b48 n VAL 149 Cb 0.56 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.94 1b48 n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b48 n GLY 150 N 5.00 5.48 2.63 7.63 0.00 -1.26 -4.86 105.19 119.81 1b48 n GLY 150 Ca 0.00 -2.36 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 1b48 n GLY 150 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b48 n ASN 151 N 0.10 -6.17 0.00 1.61 3.02 -1.26 -5.07 115.26 107.48 1b48 n ASN 151 Ca 0.52 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1b48 n ASN 151 Cb 0.30 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1b48 n ASN 151 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1b48 n GLN 152 N -1.59 0.00 -1.69 3.52 0.00 -1.26 -4.99 117.38 111.38 1b48 n GLN 152 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.00 56.55 1b48 n GLN 152 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.71 1b48 n GLN 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1b48 n LEU 153 N 0.00 3.38 -3.94 1.69 0.00 -1.26 -4.75 117.00 112.12 1b48 n LEU 153 Ca 0.00 1.12 -0.09 0.00 0.00 0.00 0.00 56.01 57.03 1b48 n LEU 153 Cb 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 43.42 41.86 1b48 n LEU 153 CO 0.00 -0.26 -0.23 -0.94 0.00 0.00 0.00 177.39 175.96 1b48 s SER 154 N 0.61 0.20 0.49 1.96 1.04 -1.26 -4.69 113.70 112.05 1b48 s SER 154 Ca 0.72 -0.57 0.35 0.00 0.48 0.00 0.00 55.95 56.93 1b48 s SER 154 Cb -0.62 0.22 1.48 0.00 0.10 0.00 0.00 66.02 67.21 1b48 s SER 154 CO 0.44 -0.51 1.67 -0.25 0.98 0.00 0.00 173.24 175.57 1b48 h TRP 155 N 3.64 0.30 0.65 5.02 -0.00 -1.74 -0.11 115.95 123.70 1b48 h TRP 155 Ca -0.33 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.54 1b48 h TRP 155 Cb 1.18 -0.08 0.01 0.00 -0.00 0.00 0.00 29.16 30.27 1b48 h TRP 155 CO 0.54 -0.07 -0.31 0.00 -0.00 0.00 0.00 178.44 178.60 1b48 h ALA 156 N 1.42 -0.87 -0.09 2.65 0.00 -1.85 0.01 119.26 120.53 1b48 h ALA 156 Ca 0.76 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.50 1b48 h ALA 156 Cb 2.64 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 20.70 1b48 h ALA 156 CO -0.21 -0.99 -0.53 -0.44 0.00 0.00 0.00 179.25 177.08 1b48 h ASP 157 N -0.87 -1.67 -0.65 0.00 3.32 -1.40 0.39 116.42 115.53 1b48 h ASP 157 Ca -0.09 0.19 0.13 0.00 0.02 0.00 0.00 57.03 57.29 1b48 h ASP 157 Cb 0.67 0.64 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 1b48 h ASP 157 CO 0.15 -0.49 0.44 0.40 -1.72 0.00 0.00 179.24 178.02 1b48 h ILE 158 N -0.60 0.81 -0.09 0.35 5.03 -1.50 0.96 117.51 122.47 1b48 h ILE 158 Ca 0.02 -0.11 -0.18 0.00 -0.12 0.00 0.00 64.86 64.48 1b48 h ILE 158 Cb 0.68 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 1b48 h ILE 158 CO -0.40 0.06 -0.70 1.56 -0.68 0.00 0.00 178.15 177.99 1b48 h GLN 159 N 0.32 0.42 0.16 2.37 1.08 0.11 -2.81 115.11 116.74 1b48 h GLN 159 Ca 0.31 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1b48 h GLN 159 Cb 0.79 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1b48 h GLN 159 CO -0.08 0.96 -0.07 1.25 -0.95 0.00 0.00 178.83 179.94 1b48 h LEU 160 N 0.29 -0.18 -0.04 1.46 5.85 0.21 -2.46 115.31 120.44 1b48 h LEU 160 Ca -0.03 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1b48 h LEU 160 Cb 1.27 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1b48 h LEU 160 CO 0.12 0.28 -0.36 0.25 -0.34 0.00 0.00 178.44 178.40 1b48 h LEU 161 N -0.69 -1.08 -1.21 2.25 7.12 -1.23 0.37 115.31 120.83 1b48 h LEU 161 Ca -0.02 0.14 0.16 0.00 0.13 0.00 0.00 57.88 58.30 1b48 h LEU 161 Cb 0.50 0.44 -0.08 0.00 -0.53 0.00 0.00 40.66 40.98 1b48 h LEU 161 CO 0.04 -0.40 0.60 -0.08 -0.13 0.00 0.00 178.44 178.46 1b48 h GLU 162 N -0.48 0.69 0.19 1.25 4.81 -1.56 -1.06 114.58 118.41 1b48 h GLU 162 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1b48 h GLU 162 Cb 0.59 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1b48 h GLU 162 CO -0.31 0.45 -0.09 0.00 -0.73 0.00 0.00 179.01 178.33 1b48 h ALA 163 N 1.60 -0.25 -0.04 2.92 0.00 -0.32 -0.29 119.26 122.88 1b48 h ALA 163 Ca 0.50 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1b48 h ALA 163 Cb 0.82 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1b48 h ALA 163 CO -0.26 -0.52 -0.33 0.82 0.00 0.00 0.00 179.25 178.96 1b48 h ILE 164 N -0.49 0.00 -0.50 0.00 2.04 0.86 -0.10 117.51 119.31 1b48 h ILE 164 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1b48 h ILE 164 Cb 0.38 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1b48 h ILE 164 CO 0.04 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.46 1b48 h LEU 165 N -0.38 0.33 -1.49 1.44 3.38 -1.43 0.18 115.31 117.33 1b48 h LEU 165 Ca 0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1b48 h LEU 165 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1b48 h LEU 165 CO -0.24 0.21 0.42 0.24 0.09 0.00 0.00 178.44 179.16 1b48 h MET 166 N 0.38 0.59 0.04 1.13 2.86 0.77 -2.75 114.93 117.95 1b48 h MET 166 Ca 0.22 -0.04 -0.32 0.00 -2.06 0.00 0.00 59.70 57.51 1b48 h MET 166 Cb 0.40 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1b48 h MET 166 CO -0.06 0.39 -1.81 1.55 1.06 0.00 0.00 176.91 178.05 1b48 n VAL 167 N -4.48 1.67 0.33 -2.22 3.14 0.49 -3.94 118.33 113.32 1b48 n VAL 167 Ca 0.09 -0.75 0.20 0.00 -2.96 0.00 0.00 64.34 60.92 1b48 n VAL 167 Cb 0.26 -1.27 1.06 0.00 -1.06 0.00 0.00 33.84 32.83 1b48 n VAL 167 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1b48 h GLU 168 N 0.02 0.00 -0.94 1.45 5.08 -0.87 -0.48 114.58 118.84 1b48 h GLU 168 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1b48 h GLU 168 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1b48 h GLU 168 CO 0.08 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 1b48 n GLU 169 N -2.97 0.89 0.00 2.33 1.02 -1.13 -2.72 120.64 118.05 1b48 n GLU 169 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1b48 n GLU 169 Cb 0.17 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.17 0.00 -3.53 -4.62 4.77 -0.21 -5.00 117.00 108.58 1b48 n LEU 170 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1b48 n LEU 170 Cb 0.27 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1b48 n LEU 170 CO 0.00 -0.09 -0.27 -0.55 -1.33 0.00 0.00 177.39 175.15 1b48 s SER 171 N -2.94 2.65 0.30 -1.43 0.15 -1.12 -5.01 113.70 106.30 1b48 s SER 171 Ca 0.00 -2.86 0.05 0.00 0.70 0.00 0.00 55.95 53.84 1b48 s SER 171 Cb 0.00 -0.68 0.73 0.00 -1.71 0.00 0.00 66.02 64.36 1b48 s SER 171 CO 0.00 -0.21 1.75 0.00 1.20 0.00 0.00 173.24 175.97 1b48 h ALA 172 N 6.16 1.57 0.00 5.45 0.00 -1.81 -1.76 119.26 128.88 1b48 h ALA 172 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1b48 h ALA 172 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b48 h ALA 172 CO 0.41 -0.17 0.00 -0.35 0.00 0.00 0.00 179.25 179.14 1b48 n PRO 173 N -4.87 0.09 -0.20 0.00 -0.04 -1.26 -4.40 135.00 124.31 1b48 n PRO 173 Ca 0.23 0.10 -0.03 0.00 -0.04 0.00 0.00 63.50 63.76 1b48 n PRO 173 Cb 0.60 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.27 0.00 0.52 3.04 -1.71 -1.91 116.25 116.46 1b48 h VAL 174 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1b48 h VAL 174 Cb 0.34 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1b48 h VAL 174 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.57 176.45 1b48 n LEU 175 N -5.44 0.00 0.11 3.16 7.94 -1.26 -3.57 117.00 117.94 1b48 n LEU 175 Ca 0.06 0.08 -0.13 0.00 -1.11 0.00 0.00 56.01 54.91 1b48 n LEU 175 Cb 0.34 -0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.16 1b48 n LEU 175 CO 0.03 -0.06 0.73 0.77 -1.11 0.00 0.00 177.39 177.75 1b48 h SER 176 N 0.00 -0.54 0.14 1.96 4.64 -1.67 -1.92 113.55 116.16 1b48 h SER 176 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1b48 h SER 176 Cb 0.02 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1b48 h SER 176 CO 0.00 -0.28 0.00 0.47 -0.87 0.00 0.00 176.83 176.15 1b48 n ASP 177 N -5.32 0.46 -4.12 4.97 8.00 -1.23 -4.26 116.55 115.04 1b48 n ASP 177 Ca -0.07 0.69 -0.37 0.00 0.71 0.00 0.00 54.79 55.75 1b48 n ASP 177 Cb 0.24 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1b48 n ASP 177 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b48 s PHE 178 N -3.39 3.49 0.02 1.24 0.08 -0.72 -4.99 117.98 113.71 1b48 s PHE 178 Ca -0.01 -2.50 -0.15 0.00 0.12 0.00 0.00 56.93 54.40 1b48 s PHE 178 Cb 0.06 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 39.18 1b48 s PHE 178 CO 0.20 -0.91 1.22 -1.35 -0.10 0.00 0.00 175.22 174.27 1b48 h PRO 179 N 7.60 -0.51 -0.72 0.24 0.11 -1.77 -2.67 132.00 134.28 1b48 h PRO 179 Ca -0.08 0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.27 1b48 h PRO 179 Cb 1.00 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1b48 h PRO 179 CO 0.72 -0.34 0.58 -0.07 -0.21 0.00 0.00 178.00 178.68 1b48 h LEU 180 N -0.53 0.00 -0.22 2.35 -0.00 -1.94 0.82 115.31 115.79 1b48 h LEU 180 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.62 1b48 h LEU 180 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1b48 h LEU 180 CO 0.09 0.00 -0.92 -0.07 -0.00 0.00 0.00 178.44 177.54 1b48 h LEU 181 N 0.00 0.28 -0.26 1.67 3.38 -1.90 -0.72 115.31 117.76 1b48 h LEU 181 Ca 0.34 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1b48 h LEU 181 Cb 1.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1b48 h LEU 181 CO -0.00 1.06 -0.52 1.56 0.09 0.00 0.00 178.44 180.62 1b48 h GLN 182 N 0.11 0.82 -0.27 1.13 4.20 -0.52 -0.58 115.11 120.01 1b48 h GLN 182 Ca -0.05 -0.53 -0.03 0.00 0.06 0.00 0.00 58.65 58.10 1b48 h GLN 182 Cb 1.56 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 1b48 h GLN 182 CO 0.14 1.16 0.05 0.00 -0.67 0.00 0.00 178.83 179.51 1b48 h ALA 183 N 0.65 0.36 -0.42 3.87 0.00 -1.30 -2.01 119.26 120.41 1b48 h ALA 183 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1b48 h ALA 183 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1b48 h ALA 183 CO 0.12 0.03 0.25 0.35 0.00 0.00 0.00 179.25 180.00 1b48 h PHE 184 N 0.27 0.56 -0.31 0.00 3.57 -1.14 -2.73 116.94 117.16 1b48 h PHE 184 Ca 0.08 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1b48 h PHE 184 Cb 0.31 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 1b48 h PHE 184 CO 0.02 0.40 -0.36 -0.22 -2.23 0.00 0.00 178.31 175.92 1b48 h LYS 185 N 0.55 -0.31 0.16 1.11 3.64 -0.84 -1.34 116.57 119.54 1b48 h LYS 185 Ca 0.15 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1b48 h LYS 185 Cb 0.01 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1b48 h LYS 185 CO -0.03 -0.21 -0.11 1.79 -2.27 0.00 0.00 179.45 178.62 1b48 h THR 186 N -0.33 0.00 -1.05 1.00 1.35 -1.21 -0.41 112.91 112.27 1b48 h THR 186 Ca 0.14 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.27 1b48 h THR 186 Cb 0.56 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.89 1b48 h THR 186 CO -0.49 0.00 0.68 -0.09 -0.25 0.00 0.00 175.52 175.37 1b48 h ARG 187 N -0.26 0.35 -0.07 4.72 2.43 -1.46 0.40 114.38 120.48 1b48 h ARG 187 Ca -0.02 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.89 1b48 h ARG 187 Cb 0.21 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1b48 h ARG 187 CO 0.01 0.23 -0.88 0.82 -1.51 0.00 0.00 179.97 178.64 1b48 h ILE 188 N 0.36 1.31 0.00 1.20 5.03 -1.17 -2.67 117.51 121.57 1b48 h ILE 188 Ca 0.60 -2.16 -0.05 0.00 -0.12 0.00 0.00 64.86 63.13 1b48 h ILE 188 Cb 1.57 2.19 -0.01 0.00 -3.03 0.00 0.00 36.82 37.55 1b48 h ILE 188 CO -0.28 0.67 -0.24 0.28 -0.68 0.00 0.00 178.15 177.90 1b48 h SER 189 N 0.41 0.00 0.00 1.72 0.02 0.13 -2.14 113.55 113.69 1b48 h SER 189 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1b48 h SER 189 Cb 1.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1b48 h SER 189 CO 0.17 0.24 0.00 0.59 -1.14 0.00 0.00 176.83 176.69 1b48 n ASN 190 N -3.82 0.02 -4.70 3.07 5.03 0.10 -2.86 115.26 112.09 1b48 n ASN 190 Ca -0.02 -1.85 -0.42 0.00 0.87 0.00 0.00 54.58 53.16 1b48 n ASN 190 Cb 0.33 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.05 1b48 n ASN 190 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1b48 s ILE 191 N -1.98 4.66 0.23 2.41 -1.09 -0.81 -4.89 121.20 119.73 1b48 s ILE 191 Ca 0.00 1.92 -0.15 0.00 -2.23 0.00 0.00 60.65 60.19 1b48 s ILE 191 Cb 0.00 -4.23 0.27 0.00 -1.58 0.00 0.00 42.46 36.92 1b48 s ILE 191 CO 0.00 0.10 1.50 -2.65 -1.23 0.00 0.00 174.94 172.66 1b48 n PRO 192 N 4.29 -0.20 0.11 2.79 -0.02 -1.26 -0.10 135.00 140.61 1b48 n PRO 192 Ca 0.08 1.49 -0.03 0.00 -2.02 0.00 0.00 63.50 63.01 1b48 n PRO 192 Cb 0.49 -2.22 0.13 0.00 -0.02 0.00 0.00 33.50 31.88 1b48 n PRO 192 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1b48 h THR 193 N 0.00 1.44 0.09 3.45 2.02 -1.92 -2.91 112.91 115.08 1b48 h THR 193 Ca 0.36 -2.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.37 1b48 h THR 193 Cb 0.60 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1b48 h THR 193 CO -0.97 0.63 -0.04 0.40 0.37 0.00 0.00 175.52 175.91 1b48 h ILE 194 N 0.07 1.16 -0.89 3.11 1.08 -1.11 -2.21 117.51 118.72 1b48 h ILE 194 Ca -0.01 -1.12 0.18 0.00 -0.39 0.00 0.00 64.86 63.52 1b48 h ILE 194 Cb 1.16 1.85 -0.11 0.00 -3.07 0.00 0.00 36.82 36.66 1b48 h ILE 194 CO 0.09 0.26 0.46 0.50 -0.69 0.00 0.00 178.15 178.77 1b48 h LYS 195 N -0.65 0.56 -0.06 2.37 3.64 -0.36 0.51 116.57 122.58 1b48 h LYS 195 Ca -0.01 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1b48 h LYS 195 Cb 0.53 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1b48 h LYS 195 CO 0.02 0.37 -0.42 -0.22 -2.27 0.00 0.00 179.45 176.94 1b48 h LYS 196 N 0.58 0.14 0.00 1.90 3.11 -1.51 -1.23 116.57 119.57 1b48 h LYS 196 Ca 0.52 -0.06 -0.18 0.00 -2.81 0.00 0.00 60.65 58.11 1b48 h LYS 196 Cb 0.83 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.03 1b48 h LYS 196 CO -0.42 0.54 -0.87 0.35 -2.81 0.00 0.00 179.45 176.24 1b48 h PHE 197 N 0.12 0.02 0.00 1.91 3.57 0.43 -3.18 116.94 119.81 1b48 h PHE 197 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1b48 h PHE 197 Cb 0.79 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1b48 h PHE 197 CO 0.01 0.88 -0.05 1.28 -2.23 0.00 0.00 178.31 178.20 1b48 n LEU 198 N -3.52 0.22 -4.58 0.59 4.32 0.13 -4.58 117.00 109.58 1b48 n LEU 198 Ca -0.01 0.48 -0.36 0.00 -0.02 0.00 0.00 56.01 56.11 1b48 n LEU 198 Cb 0.83 -0.44 0.08 0.00 -1.62 0.00 0.00 43.42 42.27 1b48 n LEU 198 CO 0.46 -0.03 0.41 1.67 -1.22 0.00 0.00 177.39 178.68 1b48 n GLN 199 N -1.68 0.42 0.00 3.23 -0.06 -0.51 -4.85 117.38 113.94 1b48 n GLN 199 Ca 0.07 0.20 0.03 0.00 -2.00 0.00 0.00 57.00 55.29 1b48 n GLN 199 Cb 0.36 -2.12 0.16 0.00 -4.06 0.00 0.00 30.24 24.58 1b48 n GLN 199 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1b48 n PRO 200 N -1.64 0.07 -0.00 3.69 -0.02 -1.26 -2.65 135.00 133.19 1b48 n PRO 200 Ca 0.12 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1b48 n PRO 200 Cb 0.50 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.36 1b48 n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b48 n GLY 201 N -0.73 -0.82 3.61 -1.23 0.00 -1.26 -5.04 105.19 99.72 1b48 n GLY 201 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1b48 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b48 s SER 202 N -3.20 2.25 0.10 1.61 1.04 -1.08 -4.93 113.70 109.48 1b48 s SER 202 Ca 0.03 1.96 0.20 0.00 0.48 0.00 0.00 55.95 58.62 1b48 s SER 202 Cb 0.14 -2.48 0.82 0.00 0.10 0.00 0.00 66.02 64.60 1b48 s SER 202 CO 0.79 -3.49 1.62 0.00 0.98 0.00 0.00 173.24 173.14 1b48 n GLN 203 N -4.47 0.08 -1.60 4.02 6.02 -1.26 -4.84 117.38 115.33 1b48 n GLN 203 Ca 0.09 0.28 -0.55 0.00 -0.01 0.00 0.00 57.00 56.81 1b48 n GLN 203 Cb 0.53 -1.64 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.80 0.92 -2.50 -1.09 0.63 -1.26 -4.93 116.66 106.63 1b48 n ARG 204 Ca 0.04 0.33 -0.29 0.00 -0.92 0.00 0.00 57.85 57.01 1b48 n ARG 204 Cb 0.23 -1.96 -0.00 0.00 0.45 0.00 0.00 32.46 31.18 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 1.02 3.60 0.38 -0.14 3.01 -1.26 -5.08 119.74 121.27 1b48 s LYS 205 Ca 0.89 0.37 -0.17 0.00 -1.01 0.00 0.00 55.97 56.05 1b48 s LYS 205 Cb -1.05 -2.31 -0.09 0.00 -1.01 0.00 0.00 37.83 33.37 1b48 s LYS 205 CO 0.53 -0.26 0.83 -1.25 0.51 0.00 0.00 175.35 175.71 1b48 s PRO 206 N -4.68 4.06 0.93 -1.68 0.04 -1.26 -4.85 135.00 127.56 1b48 s PRO 206 Ca 0.50 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.23 1b48 s PRO 206 Cb -0.10 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1b48 s PRO 206 CO 0.44 0.05 0.51 -2.30 0.04 0.00 0.00 177.00 175.75 1b48 n PRO 207 N -0.61 -0.28 -0.97 0.56 -0.02 -1.26 -4.02 135.00 128.41 1b48 n PRO 207 Ca 0.05 -0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.14 1b48 n PRO 207 Cb 0.54 -1.93 0.06 0.00 -0.02 0.00 0.00 33.50 32.15 1b48 n PRO 207 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1b48 n PRO 208 N -1.99 -0.06 -3.82 0.52 -0.04 -1.26 -4.89 135.00 123.46 1b48 n PRO 208 Ca 0.08 -0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1b48 n PRO 208 Cb 0.53 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.76 1b48 n PRO 208 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1b48 n ASP 209 N 2.10 -2.00 0.01 3.54 5.75 -1.26 -5.03 116.55 119.66 1b48 n ASP 209 Ca 0.01 -2.68 -0.09 0.00 -0.01 0.00 0.00 54.79 52.03 1b48 n ASP 209 Cb 0.55 3.41 -0.06 0.00 -1.03 0.00 0.00 41.12 43.99 1b48 n ASP 209 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1b48 h GLY 210 N 1.97 -1.28 2.00 6.12 0.00 -1.99 0.26 103.07 110.15 1b48 h GLY 210 Ca -0.31 0.66 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 1b48 h GLY 210 CO 0.41 -0.37 -0.27 -0.56 0.00 0.00 0.00 176.54 175.75 1b48 h PRO 211 N -0.35 0.00 -0.15 4.80 0.13 -1.98 -2.38 132.00 132.07 1b48 h PRO 211 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 1b48 h PRO 211 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1b48 h PRO 211 CO -0.22 0.27 -0.38 -0.92 -0.23 0.00 0.00 178.00 176.52 1b48 h TYR 212 N 0.00 0.37 0.00 1.56 3.20 -1.81 0.54 116.97 120.83 1b48 h TYR 212 Ca -0.00 -0.10 -0.17 0.00 3.14 0.00 0.00 58.73 61.60 1b48 h TYR 212 Cb 0.49 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1b48 h TYR 212 CO 0.00 0.66 -0.81 -0.24 -1.64 0.00 0.00 178.16 176.13 1b48 h VAL 213 N 0.27 1.55 0.00 1.81 3.04 -0.16 -3.29 116.25 119.47 1b48 h VAL 213 Ca 0.03 -2.80 -0.05 0.00 -1.01 0.00 0.00 66.70 62.87 1b48 h VAL 213 Cb 0.80 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 32.59 1b48 h VAL 213 CO 0.06 0.79 -0.84 1.05 -1.01 0.00 0.00 177.57 177.63 1b48 h GLU 214 N 0.00 0.00 0.20 4.17 4.11 -1.09 -3.35 114.58 118.62 1b48 h GLU 214 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1b48 h GLU 214 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1b48 h GLU 214 CO 0.11 0.11 -0.10 -0.39 0.07 0.00 0.00 179.01 178.81 1b48 h VAL 215 N 0.00 0.90 -0.83 -1.06 -1.51 -0.96 -3.05 116.25 109.73 1b48 h VAL 215 Ca -0.03 -0.61 0.10 0.00 -1.23 0.00 0.00 66.70 64.92 1b48 h VAL 215 Cb 1.16 1.25 -0.07 0.00 -2.13 0.00 0.00 31.29 31.50 1b48 h VAL 215 CO 0.02 0.14 0.48 -0.37 -1.23 0.00 0.00 177.57 176.60 1b48 h VAL 216 N -0.58 0.90 0.00 7.19 -1.51 -1.74 0.59 116.25 121.10 1b48 h VAL 216 Ca -0.03 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1b48 h VAL 216 Cb 0.43 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.63 1b48 h VAL 216 CO 0.04 0.14 0.00 -1.14 -1.23 0.00 0.00 177.57 175.39 1b48 n ARG 217 N -4.74 0.03 -0.00 5.19 0.63 -1.18 -0.67 116.66 115.91 1b48 n ARG 217 Ca 0.14 0.34 -0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1b48 n ARG 217 Cb 0.29 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 31.69 1b48 n ARG 217 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1b48 n ILE 218 N -1.41 0.16 -0.14 5.15 2.08 0.13 -2.23 119.36 123.10 1b48 n ILE 218 Ca 0.02 0.24 -0.04 0.00 0.56 0.00 0.00 62.75 63.52 1b48 n ILE 218 Cb 0.05 -1.32 0.02 0.00 -0.75 0.00 0.00 39.64 37.65 1b48 n ILE 218 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1b48 h VAL 219 N -0.06 0.43 -0.45 1.39 3.04 -0.09 0.23 116.25 120.75 1b48 h VAL 219 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1b48 h VAL 219 Cb 0.06 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 1b48 h VAL 219 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 1b48 n LEU 220 N -5.38 3.18 -4.00 3.16 4.77 0.16 -4.62 117.00 114.27 1b48 n LEU 220 Ca 0.03 -1.60 -0.32 0.00 -0.03 0.00 0.00 56.01 54.09 1b48 n LEU 220 Cb 0.29 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1b48 n LEU 220 CO 0.10 0.59 -0.27 2.29 -1.33 0.00 0.00 177.39 178.78 1b48 n LYS 221 N 0.73 -0.66 0.00 3.23 0.00 0.82 -4.89 118.16 117.39 1b48 n LYS 221 Ca 0.17 0.01 0.11 0.00 -0.00 0.00 0.00 58.31 58.60 1b48 n LYS 221 Cb 0.59 -2.36 0.64 0.00 -0.00 0.00 0.00 35.03 33.89 1b48 n LYS 221 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59