#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xji s ARG 7 N 0.00 4.32 0.41 1.61 0.52 -1.26 -4.92 118.95 119.64 1xji s ARG 7 Ca 0.00 2.26 0.21 0.00 -0.52 0.00 0.00 55.73 57.68 1xji s ARG 7 Cb 0.00 -3.06 1.17 0.00 0.52 0.00 0.00 34.95 33.58 1xji s ARG 7 CO 0.00 -0.24 1.75 -1.35 0.02 0.00 0.00 175.30 175.49 1xji h PRO 8 N 3.41 0.32 -0.01 3.54 0.11 -2.01 -0.92 132.00 136.44 1xji h PRO 8 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xji h PRO 8 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xji h PRO 8 CO 0.66 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 1xji n GLU 9 N -4.62 1.11 0.07 1.05 0.00 -1.26 -4.00 120.64 112.99 1xji n GLU 9 Ca 0.27 -0.17 0.08 0.00 0.00 0.00 0.00 57.16 57.34 1xji n GLU 9 Cb 0.97 -1.45 0.53 0.00 0.00 0.00 0.00 31.44 31.49 1xji n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1xji h TRP 10 N 0.38 0.29 -0.39 -1.84 5.08 -1.53 -1.73 115.95 116.21 1xji h TRP 10 Ca 0.00 0.01 0.02 0.00 1.08 0.00 0.00 58.89 59.99 1xji h TRP 10 Cb 0.08 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 26.12 1xji h TRP 10 CO 0.00 0.17 0.26 0.97 -1.28 0.00 0.00 178.44 178.57 1xji h ILE 11 N 0.30 1.07 0.08 0.12 2.10 -1.81 -0.20 117.51 119.17 1xji h ILE 11 Ca 0.13 -0.16 -0.27 0.00 1.08 0.00 0.00 64.86 65.64 1xji h ILE 11 Cb 0.14 0.55 -0.01 0.00 -1.09 0.00 0.00 36.82 36.41 1xji h ILE 11 CO -0.03 0.09 -1.29 -0.50 -1.08 0.00 0.00 178.15 175.34 1xji h TRP 12 N 0.48 0.32 -0.55 2.19 -0.00 -1.62 -1.98 115.95 114.78 1xji h TRP 12 Ca 0.15 -0.24 -0.07 0.00 -0.00 0.00 0.00 58.89 58.73 1xji h TRP 12 Cb 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.15 1xji h TRP 12 CO -0.00 1.22 0.06 -0.07 -0.00 0.00 0.00 178.44 179.65 1xji h LEU 13 N 0.05 0.86 -0.53 -4.49 -0.00 -1.11 0.25 115.31 110.35 1xji h LEU 13 Ca -0.14 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 57.40 1xji h LEU 13 Cb 1.94 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 42.36 1xji h LEU 13 CO 0.17 0.89 -0.35 0.00 -0.00 0.00 0.00 178.44 179.14 1xji h ALA 14 N 1.21 0.71 -0.29 1.53 0.00 -1.05 0.57 119.26 121.95 1xji h ALA 14 Ca 0.17 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1xji h ALA 14 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xji h ALA 14 CO 0.01 0.66 -0.37 1.25 0.00 0.00 0.00 179.25 180.81 1xji h LEU 15 N 0.68 0.68 -0.42 0.00 5.85 -1.00 -2.24 115.31 118.87 1xji h LEU 15 Ca 0.07 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 1xji h LEU 15 Cb 0.90 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1xji h LEU 15 CO 0.08 0.98 -0.22 1.23 -0.34 0.00 0.00 178.44 180.18 1xji h GLY 16 N 1.00 0.96 0.81 3.75 0.00 -0.28 -2.34 103.07 106.97 1xji h GLY 16 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 47.33 46.53 1xji h GLY 16 CO 0.08 0.79 0.05 -0.84 0.00 0.00 0.00 176.54 176.62 1xji h THR 17 N 0.71 0.93 -0.44 4.70 2.02 -0.72 -1.47 112.91 118.63 1xji h THR 17 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1xji h THR 17 Cb 0.78 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1xji h THR 17 CO 0.06 0.02 0.28 0.00 0.37 0.00 0.00 175.52 176.26 1xji h ALA 18 N 1.13 0.56 -0.39 6.16 0.00 -1.37 -0.63 119.26 124.73 1xji h ALA 18 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1xji h ALA 18 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xji h ALA 18 CO -0.10 0.03 -0.22 -0.07 0.00 0.00 0.00 179.25 178.89 1xji h LEU 19 N 0.59 0.86 -0.66 0.00 3.38 -1.23 0.14 115.31 118.40 1xji h LEU 19 Ca 0.16 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 1xji h LEU 19 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1xji h LEU 19 CO -0.03 1.09 -0.27 0.24 0.09 0.00 0.00 178.44 179.56 1xji h MET 20 N 0.63 0.76 -0.21 1.13 2.86 -1.25 -0.98 114.93 117.88 1xji h MET 20 Ca 0.08 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1xji h MET 20 Cb 0.78 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1xji h MET 20 CO 0.06 0.94 0.04 0.78 1.06 0.00 0.00 176.91 179.80 1xji h GLY 21 N 0.96 0.36 0.86 8.32 0.00 -0.95 0.45 103.07 113.07 1xji h GLY 21 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1xji h GLY 21 CO 0.07 0.22 0.03 1.41 0.00 0.00 0.00 176.54 178.26 1xji h LEU 22 N 0.14 0.09 -0.56 3.11 3.38 -0.88 -2.16 115.31 118.43 1xji h LEU 22 Ca 0.06 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1xji h LEU 22 Cb 0.30 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1xji h LEU 22 CO 0.00 0.22 0.30 1.23 0.09 0.00 0.00 178.44 180.28 1xji h GLY 23 N -0.05 0.80 0.37 0.83 0.00 -1.13 -1.35 103.07 102.54 1xji h GLY 23 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1xji h GLY 23 CO -0.00 0.13 -0.37 -0.84 0.00 0.00 0.00 176.54 175.46 1xji h THR 24 N 0.57 0.24 -0.62 4.70 2.02 -0.71 -0.80 112.91 118.32 1xji h THR 24 Ca 0.25 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.48 1xji h THR 24 Cb 0.15 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1xji h THR 24 CO -0.16 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 176.00 1xji h LEU 25 N -0.61 0.52 0.01 2.58 3.38 -1.14 -0.11 115.31 119.95 1xji h LEU 25 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xji h LEU 25 Cb 0.63 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xji h LEU 25 CO -0.21 0.35 -0.01 0.22 0.09 0.00 0.00 178.44 178.88 1xji h TYR 26 N 0.65 -0.03 -0.60 1.13 3.20 -0.98 0.80 116.97 121.15 1xji h TYR 26 Ca 0.27 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1xji h TYR 26 Cb 0.14 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1xji h TYR 26 CO -0.08 -0.02 0.15 0.74 -1.64 0.00 0.00 178.16 177.31 1xji h PHE 27 N -0.03 0.96 -0.18 -3.82 0.04 -0.90 -1.41 116.94 111.60 1xji h PHE 27 Ca 0.00 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 1xji h PHE 27 Cb 0.02 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 1xji h PHE 27 CO -0.08 0.79 0.10 1.25 -0.60 0.00 0.00 178.31 179.77 1xji h LEU 28 N 0.89 0.21 0.29 1.54 7.12 -0.61 0.56 115.31 125.31 1xji h LEU 28 Ca 0.19 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 1xji h LEU 28 Cb 0.32 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1xji h LEU 28 CO -0.00 0.22 -0.14 0.58 -0.13 0.00 0.00 178.44 178.96 1xji h VAL 29 N 0.20 0.74 -0.49 1.05 2.07 -0.62 -1.02 116.25 118.18 1xji h VAL 29 Ca 0.06 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1xji h VAL 29 Cb 0.04 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1xji h VAL 29 CO -0.01 0.04 0.32 0.50 0.02 0.00 0.00 177.57 178.45 1xji h LYS 30 N -0.50 0.59 -0.35 1.57 3.64 -1.17 -2.56 116.57 117.80 1xji h LYS 30 Ca -0.04 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 1xji h LYS 30 Cb 0.37 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xji h LYS 30 CO 0.07 0.39 -0.40 0.78 -2.27 0.00 0.00 179.45 178.01 1xji h GLY 31 N 0.61 0.97 2.00 5.01 0.00 0.47 -3.13 103.07 109.00 1xji h GLY 31 Ca 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1xji h GLY 31 CO -0.04 0.92 0.00 1.03 0.00 0.00 0.00 176.54 178.45 1xji n MET 32 N -4.08 0.10 0.01 4.80 2.81 -0.42 -2.95 117.12 117.39 1xji n MET 32 Ca -0.03 0.22 -0.05 0.00 -1.81 0.00 0.00 57.70 56.03 1xji n MET 32 Cb 0.55 -1.65 -0.11 0.00 -0.71 0.00 0.00 33.22 31.30 1xji n MET 32 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1xji h GLY 33 N 3.45 0.00 -3.06 3.03 0.00 -1.46 -3.47 103.07 101.56 1xji h GLY 33 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1xji h GLY 33 CO 0.00 0.00 0.50 0.14 0.00 0.00 0.00 176.54 177.18 1xji s VAL 34 N -2.72 3.18 -0.02 4.60 1.01 -1.15 -4.97 120.40 120.33 1xji s VAL 34 Ca -0.03 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.03 1xji s VAL 34 Cb 0.08 -3.54 -0.17 0.00 0.00 0.00 0.00 36.38 32.76 1xji s VAL 34 CO 0.82 0.07 0.23 -1.54 0.00 0.00 0.00 175.10 174.68 1xji n SER 35 N 0.00 2.48 -4.69 3.32 3.41 -1.26 -4.93 113.62 111.96 1xji n SER 35 Ca 0.05 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.21 1xji n SER 35 Cb 0.47 1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 65.83 1xji n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xji n ASP 36 N -1.92 3.47 0.01 4.04 2.03 -1.26 -4.90 116.55 118.02 1xji n ASP 36 Ca -0.03 1.05 -0.10 0.00 0.52 0.00 0.00 54.79 56.24 1xji n ASP 36 Cb 0.33 -1.47 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 1xji n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xji h PRO 37 N 6.78 -0.09 -0.33 -0.67 0.11 -1.97 -2.01 132.00 133.83 1xji h PRO 37 Ca -0.45 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xji h PRO 37 Cb 1.24 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1xji h PRO 37 CO 0.92 -0.06 0.19 -0.44 -0.21 0.00 0.00 178.00 178.39 1xji h ASP 38 N -0.10 0.40 -0.44 -2.05 3.45 -1.91 -2.72 116.42 113.06 1xji h ASP 38 Ca 0.07 -0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 1xji h ASP 38 Cb 0.19 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1xji h ASP 38 CO -0.16 0.36 0.20 0.00 -1.57 0.00 0.00 179.24 178.08 1xji h ALA 39 N 1.06 1.45 -0.82 3.45 0.00 -1.38 -2.23 119.26 120.79 1xji h ALA 39 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xji h ALA 39 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xji h ALA 39 CO -0.02 0.42 0.54 0.87 0.00 0.00 0.00 179.25 181.07 1xji h LYS 40 N 0.68 1.04 0.21 0.00 1.79 -1.05 -1.06 116.57 118.18 1xji h LYS 40 Ca 0.17 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1xji h LYS 40 Cb 0.12 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1xji h LYS 40 CO -0.02 0.69 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.72 1xji h LYS 41 N 1.07 -0.27 -0.40 3.15 3.64 -1.21 -1.36 116.57 121.19 1xji h LYS 41 Ca 0.31 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1xji h LYS 41 Cb -0.05 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1xji h LYS 41 CO -0.08 -0.14 0.26 0.74 -2.27 0.00 0.00 179.45 177.96 1xji h PHE 42 N -0.33 0.48 -1.01 1.91 0.04 -1.34 -2.25 116.94 114.44 1xji h PHE 42 Ca -0.03 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1xji h PHE 42 Cb 0.26 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.19 1xji h PHE 42 CO -0.05 0.30 0.66 1.88 -0.60 0.00 0.00 178.31 180.50 1xji h TYR 43 N 0.52 1.25 0.28 -0.55 0.05 -1.09 0.17 116.97 117.60 1xji h TYR 43 Ca 0.15 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1xji h TYR 43 Cb -0.04 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 37.28 1xji h TYR 43 CO -0.06 0.73 -0.13 0.00 -1.05 0.00 0.00 178.16 177.65 1xji h ALA 44 N 1.40 -0.37 -0.07 3.88 0.00 -0.99 0.87 119.26 123.98 1xji h ALA 44 Ca 0.39 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xji h ALA 44 Cb -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xji h ALA 44 CO -0.12 -0.58 -0.01 0.82 0.00 0.00 0.00 179.25 179.36 1xji h ILE 45 N -0.63 0.93 0.00 0.00 2.04 -1.26 -1.76 117.51 116.83 1xji h ILE 45 Ca -0.04 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1xji h ILE 45 Cb 0.45 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1xji h ILE 45 CO 0.06 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 178.74 1xji h THR 46 N 0.01 1.10 0.14 -0.27 2.02 -0.64 -2.80 112.91 112.47 1xji h THR 46 Ca 0.03 -0.74 -0.30 0.00 0.77 0.00 0.00 66.41 66.17 1xji h THR 46 Cb 0.05 1.40 0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1xji h THR 46 CO -0.07 0.21 -1.27 0.74 0.37 0.00 0.00 175.52 175.50 1xji h THR 47 N 0.00 1.29 -0.96 3.16 2.02 -0.57 -3.30 112.91 114.54 1xji h THR 47 Ca -0.00 -2.48 0.07 0.00 0.77 0.00 0.00 66.41 64.76 1xji h THR 47 Cb 0.39 2.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.48 1xji h THR 47 CO 0.03 0.75 0.62 0.25 0.37 0.00 0.00 175.52 177.54 1xji h LEU 48 N 0.25 0.97 0.14 2.58 5.85 -1.07 -2.63 115.31 121.39 1xji h LEU 48 Ca -0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1xji h LEU 48 Cb 1.94 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.75 1xji h LEU 48 CO 0.24 0.61 -0.36 0.58 -0.34 0.00 0.00 178.44 179.17 1xji h VAL 49 N 1.10 0.00 0.00 1.05 2.07 -1.59 -0.42 116.25 118.46 1xji h VAL 49 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1xji h VAL 49 Cb 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1xji h VAL 49 CO -0.17 0.00 0.00 1.55 0.02 0.00 0.00 177.57 178.97 1xji h PRO 50 N -0.56 0.00 -0.44 1.57 0.13 -1.70 -2.02 132.00 128.98 1xji h PRO 50 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.98 1xji h PRO 50 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1xji h PRO 50 CO -0.17 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 177.34 1xji h ALA 51 N 2.09 0.69 -0.09 -0.56 0.00 -0.96 0.48 119.26 120.91 1xji h ALA 51 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1xji h ALA 51 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xji h ALA 51 CO 0.00 0.67 -0.22 0.82 0.00 0.00 0.00 179.25 180.52 1xji h ILE 52 N 0.81 1.41 -1.00 0.00 2.04 -0.56 -2.80 117.51 117.40 1xji h ILE 52 Ca 0.10 -1.55 0.10 0.00 1.00 0.00 0.00 64.86 64.51 1xji h ILE 52 Cb 0.84 2.19 -0.08 0.00 -0.74 0.00 0.00 36.82 39.03 1xji h ILE 52 CO 0.07 0.44 0.64 0.00 0.00 0.00 0.00 178.15 179.30 1xji h ALA 53 N 0.49 1.49 -0.04 1.87 0.00 -1.32 -1.18 119.26 120.56 1xji h ALA 53 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xji h ALA 53 Cb 0.83 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1xji h ALA 53 CO 0.05 0.31 -0.10 0.35 0.00 0.00 0.00 179.25 179.86 1xji h PHE 54 N 1.06 -0.24 -0.69 0.00 3.57 -0.82 0.29 116.94 120.11 1xji h PHE 54 Ca 0.46 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 1xji h PHE 54 Cb 0.36 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1xji h PHE 54 CO -0.00 -0.15 0.21 1.79 -2.23 0.00 0.00 178.31 177.93 1xji h THR 55 N -0.15 1.25 -0.30 4.41 1.35 -1.07 -0.05 112.91 118.35 1xji h THR 55 Ca 0.05 -0.87 -0.18 0.00 -0.55 0.00 0.00 66.41 64.86 1xji h THR 55 Cb 0.22 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1xji h THR 55 CO -0.13 0.34 -0.52 0.24 -0.25 0.00 0.00 175.52 175.20 1xji h MET 56 N 1.02 0.87 -0.43 4.72 2.86 -1.05 -1.86 114.93 121.07 1xji h MET 56 Ca 0.22 -0.53 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 1xji h MET 56 Cb 0.29 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1xji h MET 56 CO -0.01 1.17 -0.17 1.88 1.06 0.00 0.00 176.91 180.84 1xji h TYR 57 N 0.67 0.92 -0.63 -0.22 0.05 -0.75 -1.51 116.97 115.51 1xji h TYR 57 Ca 0.02 -0.20 -0.09 0.00 0.05 0.00 0.00 58.73 58.52 1xji h TYR 57 Cb 1.12 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 1xji h TYR 57 CO 0.07 0.93 0.05 1.25 -1.05 0.00 0.00 178.16 179.41 1xji h LEU 58 N 0.73 1.05 -0.21 3.88 5.85 -0.97 -0.83 115.31 124.81 1xji h LEU 58 Ca 0.11 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1xji h LEU 58 Cb 0.69 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xji h LEU 58 CO 0.05 1.08 0.13 0.28 -0.34 0.00 0.00 178.44 179.64 1xji h SER 59 N 1.00 0.22 -0.66 1.25 0.02 -1.09 -1.49 113.55 112.79 1xji h SER 59 Ca 0.19 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1xji h SER 59 Cb 0.51 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1xji h SER 59 CO 0.02 0.16 0.19 0.24 -1.14 0.00 0.00 176.83 176.31 1xji h MET 60 N 0.27 1.04 -0.71 3.45 2.86 -1.10 -0.96 114.93 119.79 1xji h MET 60 Ca 0.08 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1xji h MET 60 Cb -0.02 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1xji h MET 60 CO -0.03 0.92 0.47 1.25 1.06 0.00 0.00 176.91 180.58 1xji h LEU 61 N 0.97 0.75 -0.81 1.22 5.85 -0.91 -1.73 115.31 120.66 1xji h LEU 61 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xji h LEU 61 Cb 0.32 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xji h LEU 61 CO -0.00 0.52 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 1xji n LEU 62 N -4.45 1.20 0.00 2.25 4.77 -0.58 -4.92 117.00 115.27 1xji n LEU 62 Ca 0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1xji n LEU 62 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xji n LEU 62 CO 0.35 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1xji n GLY 63 N 0.97 0.94 3.75 -0.72 0.00 -0.65 -5.06 105.19 104.41 1xji n GLY 63 Ca 0.13 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1xji n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xji s TYR 64 N -2.00 2.68 -0.48 1.61 1.51 -0.41 -4.68 117.35 115.58 1xji s TYR 64 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1xji s TYR 64 Cb 0.00 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1xji s TYR 64 CO 0.00 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.11 1xji n GLY 65 N -1.21 0.73 3.04 0.71 0.00 -1.26 -3.77 105.19 103.43 1xji n GLY 65 Ca -0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1xji n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xji s LEU 66 N -1.03 1.67 0.06 0.99 2.96 -1.26 -0.24 118.68 121.82 1xji s LEU 66 Ca 0.00 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1xji s LEU 66 Cb 0.00 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1xji s LEU 66 CO 0.00 0.02 -0.08 0.28 -1.32 0.00 0.00 176.35 175.25 1xji s THR 67 N 0.93 0.62 -0.09 3.68 -1.32 -0.38 -4.95 115.64 114.13 1xji s THR 67 Ca -0.08 -1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 58.79 1xji s THR 67 Cb -0.15 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.77 1xji s THR 67 CO -0.00 -0.56 0.52 -0.04 -2.21 0.00 0.00 174.62 172.33 1xji s MET 68 N -2.44 4.34 -0.10 7.08 1.00 -1.26 -0.25 119.30 127.67 1xji s MET 68 Ca -0.01 0.55 0.03 0.00 0.00 0.00 0.00 55.69 56.25 1xji s MET 68 Cb -0.04 -3.42 0.01 0.00 0.00 0.00 0.00 34.83 31.37 1xji s MET 68 CO -0.01 0.19 -0.20 0.08 0.00 0.00 0.00 175.02 175.08 1xji s VAL 69 N 0.49 1.75 0.03 -6.03 1.01 0.11 -4.88 120.40 112.89 1xji s VAL 69 Ca 0.28 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1xji s VAL 69 Cb -0.16 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 1xji s VAL 69 CO 0.12 0.49 0.65 -2.16 0.00 0.00 0.00 175.10 174.20 1xji s PRO 70 N 0.54 4.36 -0.28 2.72 0.04 -1.26 -0.53 135.00 140.59 1xji s PRO 70 Ca -0.15 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1xji s PRO 70 Cb -0.17 -3.33 0.19 0.00 0.04 0.00 0.00 34.50 31.23 1xji s PRO 70 CO 0.05 0.39 1.36 -0.59 0.04 0.00 0.00 177.00 178.25 1xji s PHE 71 N -0.32 -0.04 -0.90 0.56 -0.12 -0.81 -4.41 117.98 111.94 1xji s PHE 71 Ca 0.33 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 1xji s PHE 71 Cb -0.19 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.69 1xji s PHE 71 CO 0.19 -0.04 0.00 0.41 -0.05 0.00 0.00 175.22 175.73 1xji n GLY 72 N 0.60 1.01 1.92 1.99 0.00 -1.26 -2.45 105.19 106.99 1xji n GLY 72 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xji n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xji n GLY 73 N -1.50 0.51 3.33 -0.02 0.00 -1.26 -5.03 105.19 101.22 1xji n GLY 73 Ca -0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1xji n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xji s GLU 74 N -0.25 1.24 -0.34 1.61 -1.05 -1.03 -5.13 118.70 113.75 1xji s GLU 74 Ca 0.00 -1.39 -0.21 0.00 -0.15 0.00 0.00 54.97 53.22 1xji s GLU 74 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1xji s GLU 74 CO 0.00 -0.44 0.66 -0.65 0.95 0.00 0.00 175.26 175.78 1xji s GLN 75 N -4.06 3.76 -0.12 -4.83 -1.52 -1.26 -1.92 119.66 109.71 1xji s GLN 75 Ca 0.27 0.19 -0.02 0.00 -1.95 0.00 0.00 55.36 53.85 1xji s GLN 75 Cb 0.04 -3.78 -0.03 0.00 -0.22 0.00 0.00 33.01 29.02 1xji s GLN 75 CO 0.07 -0.71 -0.06 -0.80 -0.25 0.00 0.00 175.29 173.54 1xji s ASN 76 N 1.75 4.68 -0.09 5.90 -0.87 0.31 -4.87 114.94 121.75 1xji s ASN 76 Ca 0.26 -0.10 -0.30 0.00 -1.57 0.00 0.00 52.86 51.15 1xji s ASN 76 Cb -0.14 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.25 39.51 1xji s ASN 76 CO 0.14 0.24 1.16 -2.16 -2.57 0.00 0.00 177.10 173.91 1xji s PRO 77 N -0.07 4.35 -0.15 -0.60 0.04 -1.26 0.09 135.00 137.40 1xji s PRO 77 Ca 0.01 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1xji s PRO 77 Cb -0.13 -3.58 0.03 0.00 0.04 0.00 0.00 34.50 30.85 1xji s PRO 77 CO 0.03 -0.46 -0.12 0.42 0.04 0.00 0.00 177.00 176.91 1xji s ILE 78 N 2.36 1.45 -0.97 0.56 -1.09 0.65 -4.83 121.20 119.33 1xji s ILE 78 Ca 0.54 -0.60 -0.21 0.00 -2.23 0.00 0.00 60.65 58.14 1xji s ILE 78 Cb -0.22 -1.40 0.08 0.00 -1.58 0.00 0.00 42.46 39.33 1xji s ILE 78 CO 0.19 0.40 1.31 -0.31 -1.23 0.00 0.00 174.94 175.30 1xji s TYR 79 N 1.53 2.75 -0.54 3.97 2.02 -1.26 -1.25 117.35 124.58 1xji s TYR 79 Ca 0.04 -1.02 0.25 0.00 -0.37 0.00 0.00 57.07 55.97 1xji s TYR 79 Cb -0.13 -4.53 0.91 0.00 -0.40 0.00 0.00 41.96 37.81 1xji s TYR 79 CO -0.10 -1.76 1.75 0.11 -1.57 0.00 0.00 175.55 173.98 1xji h TRP 80 N 9.43 0.00 0.00 2.71 5.08 -0.99 -3.14 115.95 129.03 1xji h TRP 80 Ca 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.12 1xji h TRP 80 Cb 1.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1xji h TRP 80 CO 1.22 0.00 -0.05 0.00 -1.28 0.00 0.00 178.44 178.33 1xji h ALA 81 N 2.34 1.18 -0.93 0.11 0.00 -1.80 -2.46 119.26 117.69 1xji h ALA 81 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xji h ALA 81 Cb 0.56 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1xji h ALA 81 CO 0.00 0.07 0.59 0.00 0.00 0.00 0.00 179.25 179.91 1xji h ARG 82 N 0.00 1.24 0.00 0.00 3.08 -1.84 -1.94 114.38 114.92 1xji h ARG 82 Ca -0.00 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1xji h ARG 82 Cb 0.24 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1xji h ARG 82 CO 0.01 0.84 -0.50 1.88 -1.07 0.00 0.00 179.97 181.13 1xji h TYR 83 N 1.27 0.00 -0.61 3.04 0.05 -1.68 0.11 116.97 119.16 1xji h TYR 83 Ca 0.34 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.04 1xji h TYR 83 Cb -0.11 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1xji h TYR 83 CO 0.00 0.50 0.08 0.00 -1.05 0.00 0.00 178.16 177.68 1xji h ALA 84 N 1.50 0.81 0.56 3.88 0.00 -1.40 0.34 119.26 124.96 1xji h ALA 84 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1xji h ALA 84 Cb 0.91 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xji h ALA 84 CO 0.06 0.59 -0.27 0.22 0.00 0.00 0.00 179.25 179.85 1xji h ASP 85 N 0.93 -0.64 -0.88 0.00 1.82 -0.96 -3.29 116.42 113.40 1xji h ASP 85 Ca 0.18 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 56.94 1xji h ASP 85 Cb 0.46 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 1xji h ASP 85 CO 0.02 -0.35 0.57 -0.50 -1.61 0.00 0.00 179.24 177.36 1xji h TRP 86 N -0.96 0.93 -1.01 0.28 6.55 -0.75 -1.17 115.95 119.82 1xji h TRP 86 Ca -0.08 0.03 0.24 0.00 0.95 0.00 0.00 58.89 60.03 1xji h TRP 86 Cb 0.58 -0.30 -0.10 0.00 -0.86 0.00 0.00 29.16 28.48 1xji h TRP 86 CO 0.04 0.43 0.64 1.25 -1.05 0.00 0.00 178.44 179.74 1xji h LEU 87 N 0.86 0.55 0.00 -4.49 5.85 -0.38 -2.16 115.31 115.53 1xji h LEU 87 Ca 0.41 0.09 -0.38 0.00 0.84 0.00 0.00 57.88 58.84 1xji h LEU 87 Cb 0.42 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1xji h LEU 87 CO -0.17 0.14 -2.43 0.49 -0.34 0.00 0.00 178.44 176.13 1xji n PHE 88 N -4.68 0.01 -0.02 1.25 3.72 -0.88 -4.51 117.46 112.35 1xji n PHE 88 Ca 0.24 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.48 1xji n PHE 88 Cb 0.77 -1.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.22 1xji n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1xji h THR 89 N 0.00 1.34 -0.74 4.37 1.35 -1.07 -3.08 112.91 115.09 1xji h THR 89 Ca -0.56 -1.90 0.01 0.00 -0.55 0.00 0.00 66.41 63.41 1xji h THR 89 Cb 2.09 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 70.64 1xji h THR 89 CO -0.02 0.58 0.49 0.71 -0.25 0.00 0.00 175.52 177.02 1xji h THR 90 N 0.23 1.19 -0.01 6.82 1.35 -1.64 -0.51 112.91 120.34 1xji h THR 90 Ca -0.05 -0.34 -0.10 0.00 -0.55 0.00 0.00 66.41 65.37 1xji h THR 90 Cb 1.25 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1xji h THR 90 CO 0.13 0.18 -0.47 1.55 -0.25 0.00 0.00 175.52 176.65 1xji h PRO 91 N 0.99 0.04 -0.48 4.72 0.13 -1.77 -2.08 132.00 133.54 1xji h PRO 91 Ca 0.27 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.26 1xji h PRO 91 Cb -0.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 1xji h PRO 91 CO -0.06 0.50 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.96 1xji h LEU 92 N 0.03 0.99 -0.73 1.56 3.38 -1.32 0.32 115.31 119.54 1xji h LEU 92 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1xji h LEU 92 Cb 0.85 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xji h LEU 92 CO 0.06 1.15 0.40 -0.07 0.09 0.00 0.00 178.44 180.08 1xji h LEU 93 N 0.83 0.91 -0.94 1.67 3.38 -0.84 -0.84 115.31 119.48 1xji h LEU 93 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1xji h LEU 93 Cb 0.75 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1xji h LEU 93 CO 0.06 0.75 -0.02 -0.07 0.09 0.00 0.00 178.44 179.25 1xji h LEU 94 N 1.01 0.72 -0.41 1.67 3.38 -1.14 -2.34 115.31 118.20 1xji h LEU 94 Ca 0.26 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xji h LEU 94 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1xji h LEU 94 CO -0.04 0.80 0.24 0.25 0.09 0.00 0.00 178.44 179.78 1xji h LEU 95 N 0.70 0.37 -0.53 1.67 5.85 -0.12 0.17 115.31 123.43 1xji h LEU 95 Ca 0.14 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1xji h LEU 95 Cb 0.46 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1xji h LEU 95 CO 0.02 0.27 0.01 0.44 -0.34 0.00 0.00 178.44 178.84 1xji h ASP 96 N 0.48 -0.22 -0.45 1.25 3.32 -0.65 0.51 116.42 120.65 1xji h ASP 96 Ca 0.17 0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1xji h ASP 96 Cb 0.02 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xji h ASP 96 CO -0.09 -0.08 0.03 -0.07 -1.72 0.00 0.00 179.24 177.32 1xji h LEU 97 N 0.12 0.76 -0.73 1.55 3.38 -1.05 -1.68 115.31 117.66 1xji h LEU 97 Ca 0.27 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1xji h LEU 97 Cb 0.42 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1xji h LEU 97 CO -0.44 0.86 0.45 0.00 0.09 0.00 0.00 178.44 179.39 1xji h ALA 98 N 0.93 0.98 -0.38 1.53 0.00 0.37 -2.16 119.26 120.53 1xji h ALA 98 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1xji h ALA 98 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xji h ALA 98 CO 0.02 0.19 -0.20 -0.07 0.00 0.00 0.00 179.25 179.18 1xji h LEU 99 N 0.84 0.83 -1.51 0.00 3.38 -0.80 -0.76 115.31 117.29 1xji h LEU 99 Ca 0.31 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1xji h LEU 99 Cb 0.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1xji h LEU 99 CO -0.15 1.06 0.43 0.25 0.09 0.00 0.00 178.44 180.12 1xji h LEU 100 N 0.60 0.51 -2.58 1.67 5.85 -0.72 -2.55 115.31 118.09 1xji h LEU 100 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xji h LEU 100 Cb 0.75 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1xji h LEU 100 CO 0.06 0.32 0.00 1.33 -0.34 0.00 0.00 178.44 179.81 1xji n VAL 101 N -4.48 0.79 -3.55 1.05 0.24 -0.87 -4.95 118.33 106.55 1xji n VAL 101 Ca 0.10 -0.89 -0.21 0.00 -2.04 0.00 0.00 64.34 61.30 1xji n VAL 101 Cb 0.30 0.67 0.05 0.00 -1.47 0.00 0.00 33.84 33.39 1xji n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xji n ASP 102 N 0.83 -3.09 -4.79 -1.34 2.03 -0.57 -4.53 116.55 105.09 1xji n ASP 102 Ca 0.14 -0.79 -0.33 0.00 0.52 0.00 0.00 54.79 54.33 1xji n ASP 102 Cb 0.46 -4.39 0.04 0.00 -0.72 0.00 0.00 41.12 36.50 1xji n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xji s ALA 103 N -3.52 2.58 0.56 -1.67 0.00 -0.40 -5.00 121.76 114.30 1xji s ALA 103 Ca 0.17 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1xji s ALA 103 Cb -0.04 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1xji s ALA 103 CO 0.79 -1.13 1.09 -0.51 0.00 0.00 0.00 175.76 175.99 1xji s ASP 104 N -2.84 5.78 0.24 0.00 1.01 -1.26 -4.90 116.67 114.70 1xji s ASP 104 Ca 0.64 2.01 -0.04 0.00 0.71 0.00 0.00 52.55 55.87 1xji s ASP 104 Cb -0.18 -2.56 0.43 0.00 1.01 0.00 0.00 42.92 41.62 1xji s ASP 104 CO 0.42 -1.17 1.76 -0.61 0.21 0.00 0.00 175.17 175.78 1xji h GLN 105 N 0.92 0.57 -0.50 8.23 4.15 -2.00 -1.63 115.11 124.85 1xji h GLN 105 Ca -0.49 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 58.83 1xji h GLN 105 Cb 1.24 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 1xji h GLN 105 CO 0.57 0.38 0.02 0.78 -1.93 0.00 0.00 178.83 178.65 1xji h GLY 106 N 0.59 0.88 1.09 2.39 0.00 -1.99 -1.69 103.07 104.33 1xji h GLY 106 Ca 0.40 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1xji h GLY 106 CO -0.33 0.54 0.13 -0.84 0.00 0.00 0.00 176.54 176.04 1xji h THR 107 N 0.77 1.26 -0.33 4.70 2.02 -1.70 -1.37 112.91 118.25 1xji h THR 107 Ca 0.15 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1xji h THR 107 Cb 0.44 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1xji h THR 107 CO 0.02 0.39 0.12 0.40 0.37 0.00 0.00 175.52 176.81 1xji h ILE 108 N 1.05 1.19 -0.33 3.11 2.04 -1.03 -0.72 117.51 122.83 1xji h ILE 108 Ca 0.21 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1xji h ILE 108 Cb 0.42 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1xji h ILE 108 CO 0.01 0.21 0.15 0.25 0.00 0.00 0.00 178.15 178.78 1xji h LEU 109 N 0.39 0.22 -0.59 1.44 5.85 -1.04 0.29 115.31 121.85 1xji h LEU 109 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xji h LEU 109 Cb 0.21 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1xji h LEU 109 CO -0.01 0.16 0.29 0.00 -0.34 0.00 0.00 178.44 178.55 1xji h ALA 110 N 1.18 0.77 0.02 1.25 0.00 -1.10 0.93 119.26 122.31 1xji h ALA 110 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xji h ALA 110 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xji h ALA 110 CO -0.11 0.32 -0.01 -0.07 0.00 0.00 0.00 179.25 179.38 1xji h LEU 111 N 0.81 -0.03 -0.85 0.00 3.38 -0.62 0.19 115.31 118.19 1xji h LEU 111 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xji h LEU 111 Cb 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1xji h LEU 111 CO -0.03 0.11 0.35 0.58 0.09 0.00 0.00 178.44 179.54 1xji h VAL 112 N -0.16 1.26 0.04 1.22 2.07 -0.86 0.15 116.25 119.97 1xji h VAL 112 Ca -0.00 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1xji h VAL 112 Cb 0.15 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1xji h VAL 112 CO 0.01 0.33 -0.02 1.23 0.02 0.00 0.00 177.57 179.13 1xji h GLY 113 N 1.18 -0.05 0.74 2.17 0.00 -0.62 0.94 103.07 107.42 1xji h GLY 113 Ca 0.27 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1xji h GLY 113 CO -0.03 -0.02 0.52 0.00 0.00 0.00 0.00 176.54 177.01 1xji h ALA 114 N 0.85 1.14 -0.64 3.60 0.00 -0.17 -0.90 119.26 123.14 1xji h ALA 114 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xji h ALA 114 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1xji h ALA 114 CO 0.01 0.27 0.40 0.22 0.00 0.00 0.00 179.25 180.15 1xji h ASP 115 N 0.95 0.65 -0.31 0.00 1.82 -0.22 0.12 116.42 119.44 1xji h ASP 115 Ca 0.36 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.01 1xji h ASP 115 Cb 0.15 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1xji h ASP 115 CO -0.16 0.45 0.19 1.23 -1.61 0.00 0.00 179.24 179.34 1xji h GLY 116 N 0.78 0.43 0.80 -0.78 0.00 0.40 -0.35 103.07 104.34 1xji h GLY 116 Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1xji h GLY 116 CO -0.10 0.14 0.06 -2.22 0.00 0.00 0.00 176.54 174.42 1xji h ILE 117 N 0.40 0.93 -0.26 2.60 2.04 -0.51 0.12 117.51 122.83 1xji h ILE 117 Ca 0.12 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1xji h ILE 117 Cb -0.03 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1xji h ILE 117 CO -0.04 0.03 -0.08 -0.03 0.00 0.00 0.00 178.15 178.04 1xji h MET 118 N 0.15 -0.02 -0.20 2.37 4.05 -0.24 0.10 114.93 121.14 1xji h MET 118 Ca 0.09 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 1xji h MET 118 Cb 0.07 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1xji h MET 118 CO -0.11 -0.01 -0.30 0.82 0.23 0.00 0.00 176.91 177.54 1xji h ILE 119 N -0.02 1.33 0.02 1.77 1.08 -0.91 -2.28 117.51 118.50 1xji h ILE 119 Ca 0.13 -1.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1xji h ILE 119 Cb 0.21 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1xji h ILE 119 CO -0.27 0.46 -0.02 1.23 -0.69 0.00 0.00 178.15 178.86 1xji h GLY 120 N 0.24 -0.03 1.74 5.37 0.00 -0.54 -1.50 103.07 108.34 1xji h GLY 120 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1xji h GLY 120 CO 0.07 -0.02 -0.20 -0.91 0.00 0.00 0.00 176.54 175.48 1xji h THR 121 N -0.04 1.23 -0.65 4.70 1.35 -0.88 -1.94 112.91 116.68 1xji h THR 121 Ca 0.00 -1.05 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1xji h THR 121 Cb 0.04 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1xji h THR 121 CO -0.01 0.33 0.39 1.23 -0.25 0.00 0.00 175.52 177.21 1xji h GLY 122 N 0.92 0.94 0.84 5.82 0.00 -1.02 0.57 103.07 111.14 1xji h GLY 122 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1xji h GLY 122 CO 0.03 0.38 -0.06 -2.00 0.00 0.00 0.00 176.54 174.89 1xji h LEU 123 N 0.88 0.47 -0.26 3.11 5.85 -0.93 -0.44 115.31 123.98 1xji h LEU 123 Ca 0.23 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1xji h LEU 123 Cb -0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1xji h LEU 123 CO -0.04 0.73 0.12 0.58 -0.34 0.00 0.00 178.44 179.48 1xji h VAL 124 N 0.20 0.97 -0.77 1.05 2.07 -1.19 -0.68 116.25 117.89 1xji h VAL 124 Ca 0.06 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1xji h VAL 124 Cb 0.53 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1xji h VAL 124 CO 0.02 0.05 0.40 1.23 0.02 0.00 0.00 177.57 179.29 1xji h GLY 125 N 0.25 1.19 2.00 2.17 0.00 -0.75 0.27 103.07 108.20 1xji h GLY 125 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1xji h GLY 125 CO -0.09 0.05 -0.14 0.00 0.00 0.00 0.00 176.54 176.36 1xji h ALA 126 N 1.47 1.32 -0.02 3.60 0.00 0.14 -2.92 119.26 122.84 1xji h ALA 126 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xji h ALA 126 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xji h ALA 126 CO -0.29 0.18 -0.09 1.28 0.00 0.00 0.00 179.25 180.33 1xji n LEU 127 N -3.73 2.52 -4.74 0.00 4.77 -0.22 -4.97 117.00 110.63 1xji n LEU 127 Ca -0.02 -0.95 -0.41 0.00 -0.03 0.00 0.00 56.01 54.60 1xji n LEU 127 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1xji n LEU 127 CO 0.31 0.44 0.92 -0.89 -1.33 0.00 0.00 177.39 176.84 1xji s THR 128 N -1.82 3.40 -0.27 -5.08 2.01 -0.09 -4.96 115.64 108.83 1xji s THR 128 Ca 0.22 1.19 0.22 0.00 0.31 0.00 0.00 61.69 63.63 1xji s THR 128 Cb 0.17 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1xji s THR 128 CO 0.31 0.20 1.15 0.11 -0.69 0.00 0.00 174.62 175.70 1xji h LYS 129 N 5.10 0.00 -5.54 4.92 1.57 -1.91 -3.44 116.57 117.27 1xji h LYS 129 Ca -0.45 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.69 1xji h LYS 129 Cb 1.21 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 1xji h LYS 129 CO 0.74 0.03 0.27 0.08 -0.57 0.00 0.00 179.45 180.00 1xji s VAL 130 N -3.30 4.69 0.22 0.50 1.01 -1.26 -4.37 120.40 117.89 1xji s VAL 130 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 1xji s VAL 130 Cb 0.08 -4.32 0.23 0.00 0.00 0.00 0.00 36.38 32.37 1xji s VAL 130 CO 0.77 -0.77 1.46 0.00 0.00 0.00 0.00 175.10 176.55 1xji n TYR 131 N 6.62 0.03 -0.32 5.22 4.19 -1.26 -0.86 117.16 130.79 1xji n TYR 131 Ca -0.00 1.16 -0.00 0.00 3.31 0.00 0.00 57.90 62.36 1xji n TYR 131 Cb 0.47 -0.85 0.18 0.00 0.49 0.00 0.00 39.34 39.63 1xji n TYR 131 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1xji h SER 132 N 0.00 1.02 0.54 2.98 0.02 -1.98 -2.48 113.55 113.66 1xji h SER 132 Ca 0.33 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1xji h SER 132 Cb 0.56 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1xji h SER 132 CO -0.93 0.72 -0.26 1.88 -1.14 0.00 0.00 176.83 177.10 1xji h TYR 133 N 1.20 0.00 -0.99 3.45 0.05 -1.41 -2.61 116.97 116.65 1xji h TYR 133 Ca 0.35 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.19 1xji h TYR 133 Cb -0.07 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.60 1xji h TYR 133 CO -0.00 0.26 0.64 0.00 -1.05 0.00 0.00 178.16 178.02 1xji h ARG 134 N 0.00 1.13 0.00 4.88 3.08 -1.08 -1.44 114.38 120.95 1xji h ARG 134 Ca -0.00 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1xji h ARG 134 Cb 0.61 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xji h ARG 134 CO 0.03 0.75 -0.24 0.74 -1.07 0.00 0.00 179.97 180.19 1xji h PHE 135 N 1.17 0.00 -0.11 3.04 0.04 -1.54 -2.12 116.94 117.41 1xji h PHE 135 Ca 0.42 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.17 1xji h PHE 135 Cb 0.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1xji h PHE 135 CO -0.00 0.24 -0.02 0.28 -0.60 0.00 0.00 178.31 178.21 1xji h VAL 136 N 0.00 1.28 -0.66 -0.55 2.07 -1.20 -1.60 116.25 115.59 1xji h VAL 136 Ca -0.00 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1xji h VAL 136 Cb 1.01 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1xji h VAL 136 CO 0.03 0.26 0.16 -0.50 0.02 0.00 0.00 177.57 177.54 1xji h TRP 137 N -0.09 1.08 -0.75 1.57 4.06 -1.34 -1.50 115.95 118.98 1xji h TRP 137 Ca 0.03 -0.12 0.03 0.00 2.06 0.00 0.00 58.89 60.89 1xji h TRP 137 Cb 0.41 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 1xji h TRP 137 CO 0.05 0.89 0.47 2.35 -3.56 0.00 0.00 178.44 178.63 1xji h TRP 138 N 0.99 0.89 -0.33 0.49 7.01 -1.30 0.97 115.95 124.67 1xji h TRP 138 Ca 0.21 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.13 1xji h TRP 138 Cb 0.34 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1xji h TRP 138 CO 0.02 0.51 -0.19 0.00 -2.79 0.00 0.00 178.44 176.00 1xji h ALA 139 N 1.32 0.47 -0.64 2.65 0.00 -0.97 0.03 119.26 122.11 1xji h ALA 139 Ca 0.30 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xji h ALA 139 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xji h ALA 139 CO -0.11 0.41 0.43 0.82 0.00 0.00 0.00 179.25 180.79 1xji h ILE 140 N 0.49 1.17 -0.15 0.00 2.04 -0.94 -0.55 117.51 119.56 1xji h ILE 140 Ca 0.07 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xji h ILE 140 Cb 0.73 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1xji h ILE 140 CO 0.05 0.16 0.07 -1.28 0.00 0.00 0.00 178.15 177.15 1xji h SER 141 N 0.87 0.19 -0.91 1.72 0.87 -0.60 -2.54 113.55 113.16 1xji h SER 141 Ca 0.24 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1xji h SER 141 Cb -0.10 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 1xji h SER 141 CO -0.05 0.27 0.57 0.74 -0.53 0.00 0.00 176.83 177.83 1xji h THR 142 N 0.11 1.25 -0.80 2.23 2.02 -0.67 -1.28 112.91 115.77 1xji h THR 142 Ca 0.05 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1xji h THR 142 Cb 0.13 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.43 1xji h THR 142 CO -0.01 0.25 0.51 0.00 0.37 0.00 0.00 175.52 176.65 1xji h ALA 143 N 1.38 1.01 -0.75 6.16 0.00 -0.94 0.61 119.26 126.73 1xji h ALA 143 Ca 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1xji h ALA 143 Cb -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1xji h ALA 143 CO -0.07 0.44 0.30 0.00 0.00 0.00 0.00 179.25 179.93 1xji h ALA 144 N 1.28 1.12 -0.76 0.00 0.00 -0.92 -1.93 119.26 118.05 1xji h ALA 144 Ca 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xji h ALA 144 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1xji h ALA 144 CO -0.06 0.63 0.29 1.98 0.00 0.00 0.00 179.25 182.09 1xji h MET 145 N 1.09 1.15 0.00 0.00 -1.53 -0.17 -2.39 114.93 113.08 1xji h MET 145 Ca 0.25 -0.22 -0.07 0.00 -3.44 0.00 0.00 59.70 56.22 1xji h MET 145 Cb 0.20 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1xji h MET 145 CO -0.02 0.95 -0.35 -0.07 0.14 0.00 0.00 176.91 177.56 1xji h LEU 146 N 1.11 0.00 -0.20 3.39 3.38 -0.44 -1.02 115.31 121.53 1xji h LEU 146 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1xji h LEU 146 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xji h LEU 146 CO -0.02 0.35 0.02 0.22 0.09 0.00 0.00 178.44 179.10 1xji h TYR 147 N 0.00 0.36 0.03 1.13 3.20 -0.95 -0.81 116.97 119.92 1xji h TYR 147 Ca -0.00 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1xji h TYR 147 Cb 0.61 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1xji h TYR 147 CO 0.00 0.50 -0.12 0.82 -1.64 0.00 0.00 178.16 177.71 1xji h ILE 148 N 0.11 0.70 -0.36 1.81 2.04 -0.95 -1.57 117.51 119.30 1xji h ILE 148 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1xji h ILE 148 Cb 0.34 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1xji h ILE 148 CO 0.01 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.14 1xji h LEU 149 N -0.22 0.49 0.26 1.44 3.38 -1.17 -0.66 115.31 118.83 1xji h LEU 149 Ca 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xji h LEU 149 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xji h LEU 149 CO -0.10 0.52 -0.13 0.22 0.09 0.00 0.00 178.44 179.04 1xji h TYR 150 N 0.52 -0.33 -0.89 1.13 3.20 -0.75 0.97 116.97 120.83 1xji h TYR 150 Ca 0.12 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1xji h TYR 150 Cb 0.25 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1xji h TYR 150 CO 0.01 -0.16 0.59 0.28 -1.64 0.00 0.00 178.16 177.24 1xji h VAL 151 N -0.42 1.23 -0.27 1.81 2.07 -1.01 0.67 116.25 120.33 1xji h VAL 151 Ca -0.04 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1xji h VAL 151 Cb 0.32 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1xji h VAL 151 CO 0.06 0.22 0.12 -0.07 0.02 0.00 0.00 177.57 177.92 1xji h LEU 152 N 1.20 0.35 -0.15 2.57 3.38 -0.89 0.20 115.31 121.99 1xji h LEU 152 Ca 0.32 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1xji h LEU 152 Cb -0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1xji h LEU 152 CO -0.07 0.39 -0.20 0.15 0.09 0.00 0.00 178.44 178.80 1xji h PHE 153 N 0.29 0.49 0.00 1.13 3.04 -0.47 -3.01 116.94 118.40 1xji h PHE 153 Ca 0.09 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1xji h PHE 153 Cb 0.14 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1xji h PHE 153 CO -0.02 0.82 -0.45 1.19 -2.02 0.00 0.00 178.31 177.83 1xji n PHE 154 N -4.49 0.72 0.26 0.41 3.72 0.20 -3.96 117.46 114.32 1xji n PHE 154 Ca -0.06 0.31 -0.17 0.00 -0.05 0.00 0.00 57.45 57.48 1xji n PHE 154 Cb 0.41 -0.66 -0.09 0.00 -0.94 0.00 0.00 39.48 38.20 1xji n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1xji h GLY 155 N -0.83 -1.10 1.03 1.37 0.00 -1.11 -2.58 103.07 99.86 1xji h GLY 155 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.80 1xji h GLY 155 CO 0.00 -0.34 0.17 0.74 0.00 0.00 0.00 176.54 177.10 1xji h PHE 156 N -0.90 1.05 -0.51 5.60 -1.00 -0.69 -2.34 116.94 118.14 1xji h PHE 156 Ca -0.04 -0.12 0.05 0.00 2.81 0.00 0.00 57.97 60.66 1xji h PHE 156 Cb 0.80 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 1xji h PHE 156 CO -0.25 0.87 0.25 1.15 -1.61 0.00 0.00 178.31 178.73 1xji h THR 157 N 0.92 0.94 -0.59 -1.55 2.02 -1.54 0.23 112.91 113.35 1xji h THR 157 Ca 0.20 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1xji h THR 157 Cb 0.34 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1xji h THR 157 CO -0.00 0.09 0.38 -1.28 0.37 0.00 0.00 175.52 175.08 1xji h SER 158 N 0.49 0.64 -0.74 4.18 0.87 -1.24 -1.26 113.55 116.50 1xji h SER 158 Ca 0.23 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1xji h SER 158 Cb 0.15 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1xji h SER 158 CO -0.17 0.46 0.40 0.11 -0.53 0.00 0.00 176.83 177.11 1xji h LYS 159 N 0.76 1.05 -0.66 2.24 1.79 -0.82 -2.33 116.57 118.61 1xji h LYS 159 Ca 0.22 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1xji h LYS 159 Cb -0.05 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.36 1xji h LYS 159 CO -0.07 0.77 0.35 0.00 -1.08 0.00 0.00 179.45 179.43 1xji h ALA 160 N 1.39 1.38 -0.24 3.86 0.00 0.53 -2.75 119.26 123.43 1xji h ALA 160 Ca 0.27 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1xji h ALA 160 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xji h ALA 160 CO -0.04 0.50 0.20 0.93 0.00 0.00 0.00 179.25 180.84 1xji h GLU 161 N 0.92 0.00 -0.00 0.00 4.39 -0.72 0.31 114.58 119.47 1xji h GLU 161 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1xji h GLU 161 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xji h GLU 161 CO -0.04 0.00 -0.04 -1.13 -1.16 0.00 0.00 179.01 176.64 1xji n SER 162 N -4.18 0.10 -4.61 1.42 3.41 -1.04 -4.82 113.62 103.91 1xji n SER 162 Ca 0.03 -0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.33 1xji n SER 162 Cb 0.35 -0.28 0.12 0.00 -0.26 0.00 0.00 64.21 64.13 1xji n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xji s MET 163 N -2.68 1.57 0.48 4.33 -1.94 0.10 -5.05 119.30 116.11 1xji s MET 163 Ca 0.24 -0.87 -0.21 0.00 -1.71 0.00 0.00 55.69 53.14 1xji s MET 163 Cb 0.20 -2.23 -0.08 0.00 2.01 0.00 0.00 34.83 34.73 1xji s MET 163 CO 0.49 -1.58 1.08 -0.98 -0.01 0.00 0.00 175.02 174.02 1xji s ARG 164 N -5.28 3.78 0.57 2.03 1.70 -1.26 -4.79 118.95 115.70 1xji s ARG 164 Ca 0.67 1.51 0.33 0.00 -0.47 0.00 0.00 55.73 57.76 1xji s ARG 164 Cb -0.06 -2.22 1.42 0.00 -0.57 0.00 0.00 34.95 33.53 1xji s ARG 164 CO 0.46 -0.48 1.73 -1.00 -1.08 0.00 0.00 175.30 174.93 1xji h PRO 165 N 1.75 0.00 -0.52 3.89 0.13 -1.92 -0.22 132.00 135.11 1xji h PRO 165 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 1xji h PRO 165 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1xji h PRO 165 CO 0.59 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.16 1xji h GLU 166 N 0.00 1.00 -0.02 0.86 3.07 -1.99 -1.19 114.58 116.31 1xji h GLU 166 Ca 0.45 -0.38 -0.10 0.00 -0.50 0.00 0.00 59.36 58.83 1xji h GLU 166 Cb 2.11 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.97 1xji h GLU 166 CO -0.00 1.06 -0.38 0.28 -1.40 0.00 0.00 179.01 178.56 1xji h VAL 167 N 0.88 1.48 -0.19 3.13 2.07 -1.41 -2.81 116.25 119.40 1xji h VAL 167 Ca 0.13 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.74 1xji h VAL 167 Cb 0.70 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1xji h VAL 167 CO 0.05 0.55 0.04 0.00 0.02 0.00 0.00 177.57 178.23 1xji h ALA 168 N 0.32 0.19 -0.34 1.67 0.00 -1.41 0.78 119.26 120.47 1xji h ALA 168 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xji h ALA 168 Cb 1.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xji h ALA 168 CO 0.08 -0.39 0.20 0.66 0.00 0.00 0.00 179.25 179.79 1xji h SER 169 N 0.12 0.32 -0.65 0.00 4.64 -1.31 -0.28 113.55 116.39 1xji h SER 169 Ca 0.08 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1xji h SER 169 Cb 0.07 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1xji h SER 169 CO -0.11 0.23 0.43 0.74 -0.87 0.00 0.00 176.83 177.25 1xji h THR 170 N 0.40 1.17 -0.74 2.95 2.02 -1.20 -2.13 112.91 115.38 1xji h THR 170 Ca 0.13 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1xji h THR 170 Cb 0.00 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.58 1xji h THR 170 CO -0.06 0.16 0.47 0.15 0.37 0.00 0.00 175.52 176.60 1xji h PHE 171 N 0.88 0.87 -0.57 3.16 3.57 -0.32 -2.10 116.94 122.43 1xji h PHE 171 Ca 0.24 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1xji h PHE 171 Cb -0.10 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.31 1xji h PHE 171 CO -0.03 0.50 0.33 1.57 -2.23 0.00 0.00 178.31 178.44 1xji h LYS 172 N 0.91 0.62 0.07 1.11 2.10 -0.41 0.71 116.57 121.67 1xji h LYS 172 Ca 0.30 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1xji h LYS 172 Cb 0.02 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1xji h LYS 172 CO -0.11 0.41 -0.03 0.28 -2.00 0.00 0.00 179.45 177.99 1xji h VAL 173 N 0.63 0.99 -0.67 0.07 2.07 -1.13 0.12 116.25 118.33 1xji h VAL 173 Ca 0.24 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1xji h VAL 173 Cb 0.08 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1xji h VAL 173 CO -0.13 0.05 0.37 -0.07 0.02 0.00 0.00 177.57 177.81 1xji h LEU 174 N -0.17 0.82 -0.23 2.57 3.38 -1.01 -0.50 115.31 120.17 1xji h LEU 174 Ca -0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1xji h LEU 174 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xji h LEU 174 CO 0.01 0.66 0.04 -0.09 0.09 0.00 0.00 178.44 179.15 1xji h ARG 175 N 0.93 0.38 -0.76 1.13 2.43 0.80 -1.72 114.38 117.58 1xji h ARG 175 Ca 0.24 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1xji h ARG 175 Cb 0.01 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1xji h ARG 175 CO -0.04 0.52 0.30 -0.91 -1.51 0.00 0.00 179.97 178.33 1xji h ASN 176 N 0.19 1.05 -0.63 -3.80 -0.26 -0.31 -1.03 115.58 110.79 1xji h ASN 176 Ca 0.07 -0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1xji h ASN 176 Cb 0.32 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 1xji h ASN 176 CO 0.00 0.93 0.29 0.58 -1.06 0.00 0.00 177.43 178.18 1xji h VAL 177 N 1.09 1.22 -0.27 2.81 2.07 -1.01 -1.71 116.25 120.46 1xji h VAL 177 Ca 0.25 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1xji h VAL 177 Cb 0.22 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1xji h VAL 177 CO -0.02 0.26 -0.02 0.74 0.02 0.00 0.00 177.57 178.55 1xji h THR 178 N 0.86 1.26 -0.36 2.57 2.02 -0.99 -1.95 112.91 116.32 1xji h THR 178 Ca 0.21 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1xji h THR 178 Cb 0.13 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1xji h THR 178 CO -0.03 0.30 0.18 0.58 0.37 0.00 0.00 175.52 176.93 1xji h VAL 179 N 0.25 1.16 0.49 3.16 2.07 -1.09 -0.03 116.25 122.26 1xji h VAL 179 Ca 0.07 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1xji h VAL 179 Cb 0.45 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xji h VAL 179 CO 0.02 0.17 -0.24 0.58 0.02 0.00 0.00 177.57 178.12 1xji h VAL 180 N 0.45 0.49 -0.12 2.57 2.07 -1.29 -1.99 116.25 118.43 1xji h VAL 180 Ca 0.13 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1xji h VAL 180 Cb 0.11 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1xji h VAL 180 CO -0.02 0.04 0.02 -0.07 0.02 0.00 0.00 177.57 177.56 1xji h LEU 181 N -0.80 0.19 -0.17 2.57 3.38 -1.39 -3.23 115.31 115.88 1xji h LEU 181 Ca -0.07 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1xji h LEU 181 Cb 0.57 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1xji h LEU 181 CO 0.11 0.41 0.09 -0.50 0.09 0.00 0.00 178.44 178.64 1xji h TRP 182 N -0.03 0.17 0.00 1.13 4.06 -1.08 -1.97 115.95 118.22 1xji h TRP 182 Ca 0.04 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1xji h TRP 182 Cb 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1xji h TRP 182 CO 0.02 0.10 0.11 -1.13 -3.56 0.00 0.00 178.44 173.98 1xji n SER 183 N -5.01 0.39 0.01 -3.49 3.41 -0.75 -1.62 113.62 106.56 1xji n SER 183 Ca -0.04 0.63 -0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1xji n SER 183 Cb 0.04 -0.65 -0.13 0.00 -0.26 0.00 0.00 64.21 63.21 1xji n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xji h ALA 184 N 1.69 0.64 -0.21 7.33 0.00 -1.37 -3.40 119.26 123.94 1xji h ALA 184 Ca 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 54.91 53.68 1xji h ALA 184 Cb 0.22 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1xji h ALA 184 CO 0.00 1.48 -0.18 1.88 0.00 0.00 0.00 179.25 182.43 1xji h TYR 185 N 0.00 -0.45 -0.16 0.00 -1.99 -1.32 -1.22 116.97 111.83 1xji h TYR 185 Ca -0.20 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.61 1xji h TYR 185 Cb 1.94 0.23 -0.01 0.00 2.00 0.00 0.00 36.73 40.89 1xji h TYR 185 CO 0.00 -0.25 0.12 -1.00 -0.00 0.00 0.00 178.16 177.03 1xji h PRO 186 N -0.18 0.00 -0.17 4.88 0.13 -1.76 -0.17 132.00 134.72 1xji h PRO 186 Ca 0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.04 1xji h PRO 186 Cb 0.37 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.51 1xji h PRO 186 CO -0.32 0.00 -0.73 0.28 -0.23 0.00 0.00 178.00 177.01 1xji h VAL 187 N 0.00 1.28 -0.36 1.56 2.07 -1.47 -1.28 116.25 118.04 1xji h VAL 187 Ca 0.08 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 1xji h VAL 187 Cb 0.32 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1xji h VAL 187 CO -0.00 0.61 0.06 0.58 0.02 0.00 0.00 177.57 178.85 1xji h VAL 188 N 0.54 1.23 -0.35 2.57 2.07 -0.25 -2.48 116.25 119.58 1xji h VAL 188 Ca -0.04 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1xji h VAL 188 Cb 1.35 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1xji h VAL 188 CO 0.15 0.28 0.18 -0.25 0.02 0.00 0.00 177.57 177.95 1xji h TRP 189 N 0.43 0.34 -0.88 1.57 7.01 -1.06 0.64 115.95 124.01 1xji h TRP 189 Ca 0.11 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.16 1xji h TRP 189 Cb 0.35 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 1xji h TRP 189 CO 0.02 0.19 0.57 1.25 -2.79 0.00 0.00 178.44 177.67 1xji h LEU 190 N 0.37 0.94 -0.48 0.65 5.85 -1.10 -2.00 115.31 119.55 1xji h LEU 190 Ca 0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xji h LEU 190 Cb 0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1xji h LEU 190 CO -0.09 0.64 -0.58 2.30 -0.34 0.00 0.00 178.44 180.37 1xji n ILE 191 N -4.54 0.00 -1.95 4.05 -5.35 -0.95 -0.27 119.36 110.35 1xji n ILE 191 Ca 0.11 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1xji n ILE 191 Cb 0.09 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1xji n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xji n GLY 192 N 1.44 1.06 0.33 3.28 0.00 0.20 -1.03 105.19 110.47 1xji n GLY 192 Ca 0.08 -1.96 0.21 0.00 0.00 0.00 0.00 46.02 44.35 1xji n GLY 192 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xji h SER 193 N 0.00 0.00 1.33 1.61 4.64 -1.82 0.21 113.55 119.51 1xji h SER 193 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1xji h SER 193 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xji h SER 193 CO 0.00 0.00 -0.67 -0.33 -0.87 0.00 0.00 176.83 174.96 1xji h GLU 194 N 0.00 0.00 0.00 4.77 3.07 -1.88 -3.43 114.58 117.10 1xji h GLU 194 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xji h GLU 194 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1xji h GLU 194 CO 0.00 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1xji n GLY 195 N 1.16 1.10 0.25 -3.84 0.00 -0.01 -4.92 105.19 98.93 1xji n GLY 195 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1xji n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xji h ALA 196 N 0.04 1.00 -2.72 4.61 0.00 -0.61 -3.47 119.26 118.11 1xji h ALA 196 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1xji h ALA 196 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xji h ALA 196 CO 0.00 0.00 -0.37 0.41 0.00 0.00 0.00 179.25 179.29 1xji n GLY 197 N -0.23 -0.09 0.09 0.00 0.00 0.52 -4.95 105.19 100.53 1xji n GLY 197 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 1xji n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xji h ILE 198 N -0.68 1.10 -3.36 -0.61 2.04 -1.28 -3.45 117.51 111.28 1xji h ILE 198 Ca -0.33 -2.08 -0.56 0.00 1.00 0.00 0.00 64.86 62.89 1xji h ILE 198 Cb 1.23 2.34 -0.05 0.00 -0.74 0.00 0.00 36.82 39.60 1xji h ILE 198 CO 0.36 0.37 0.27 -0.69 0.00 0.00 0.00 178.15 178.46 1xji s VAL 199 N -2.26 4.94 0.62 1.67 1.01 -0.20 -5.02 120.40 121.17 1xji s VAL 199 Ca -0.23 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 1xji s VAL 199 Cb 0.02 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1xji s VAL 199 CO 0.56 0.16 1.13 -2.16 0.00 0.00 0.00 175.10 174.79 1xji s PRO 200 N 1.26 2.95 0.41 2.72 0.04 -1.26 -3.70 135.00 137.43 1xji s PRO 200 Ca 0.42 1.52 0.21 0.00 0.04 0.00 0.00 61.00 63.19 1xji s PRO 200 Cb -0.18 -1.96 1.18 0.00 0.04 0.00 0.00 34.50 33.58 1xji s PRO 200 CO 0.19 -1.15 1.74 1.25 0.04 0.00 0.00 177.00 179.08 1xji h LEU 201 N 0.46 0.39 -0.52 -3.56 5.85 -1.97 -0.62 115.31 115.33 1xji h LEU 201 Ca -0.48 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 1xji h LEU 201 Cb 1.26 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1xji h LEU 201 CO 0.55 0.03 -0.20 -0.55 -0.34 0.00 0.00 178.44 177.93 1xji h ASN 202 N 0.32 1.01 0.37 1.25 -1.07 -1.93 0.03 115.58 115.56 1xji h ASN 202 Ca 0.63 -0.37 -0.22 0.00 0.07 0.00 0.00 56.30 56.41 1xji h ASN 202 Cb 1.73 -0.28 0.00 0.00 -2.07 0.00 0.00 38.32 37.70 1xji h ASN 202 CO -0.31 1.17 -0.94 0.40 0.07 0.00 0.00 177.43 177.82 1xji h ILE 203 N 0.86 1.41 -0.75 6.14 2.04 -1.61 -2.84 117.51 122.76 1xji h ILE 203 Ca 0.11 -2.48 -0.04 0.00 1.00 0.00 0.00 64.86 63.45 1xji h ILE 203 Cb 0.77 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1xji h ILE 203 CO 0.06 0.74 0.29 -0.08 0.00 0.00 0.00 178.15 179.16 1xji h GLU 204 N 0.21 1.13 -0.46 2.37 4.81 -1.02 -0.21 114.58 121.41 1xji h GLU 204 Ca -0.08 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 1xji h GLU 204 Cb 1.58 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 1xji h GLU 204 CO 0.16 0.92 0.02 1.15 -0.73 0.00 0.00 179.01 180.54 1xji h THR 205 N 1.09 1.23 -0.32 0.32 2.02 -1.01 -0.28 112.91 115.96 1xji h THR 205 Ca 0.25 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1xji h THR 205 Cb 0.22 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1xji h THR 205 CO -0.02 0.33 0.11 0.25 0.37 0.00 0.00 175.52 176.56 1xji h LEU 206 N 0.70 0.45 -0.15 2.58 5.85 -1.14 -1.21 115.31 122.40 1xji h LEU 206 Ca 0.14 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xji h LEU 206 Cb 0.40 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1xji h LEU 206 CO 0.01 0.52 0.08 -0.07 -0.34 0.00 0.00 178.44 178.64 1xji h LEU 207 N 0.36 0.19 -0.93 2.25 3.38 -0.56 -1.67 115.31 118.34 1xji h LEU 207 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1xji h LEU 207 Cb 0.22 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1xji h LEU 207 CO -0.01 0.22 0.37 -0.26 0.09 0.00 0.00 178.44 178.86 1xji h PHE 208 N 0.15 1.14 -0.60 1.13 0.04 -1.01 -1.35 116.94 116.43 1xji h PHE 208 Ca 0.05 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1xji h PHE 208 Cb 0.08 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1xji h PHE 208 CO -0.04 0.83 0.35 1.98 -0.60 0.00 0.00 178.31 180.83 1xji h MET 209 N 1.13 0.83 -0.47 1.51 4.05 -1.01 0.83 114.93 121.79 1xji h MET 209 Ca 0.27 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1xji h MET 209 Cb 0.12 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 1xji h MET 209 CO -0.03 0.61 0.18 0.28 0.23 0.00 0.00 176.91 178.17 1xji h VAL 210 N 0.82 1.21 -0.27 -5.77 2.07 -0.99 -0.08 116.25 113.24 1xji h VAL 210 Ca 0.21 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1xji h VAL 210 Cb 0.00 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1xji h VAL 210 CO -0.04 0.25 -0.06 -0.07 0.02 0.00 0.00 177.57 177.66 1xji h LEU 211 N 0.62 0.53 -0.40 2.57 3.38 -0.81 -2.39 115.31 118.81 1xji h LEU 211 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xji h LEU 211 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xji h LEU 211 CO -0.01 0.77 0.24 0.44 0.09 0.00 0.00 178.44 179.97 1xji h ASP 212 N 0.28 0.47 -0.41 -0.43 3.32 0.85 0.11 116.42 120.61 1xji h ASP 212 Ca 0.07 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1xji h ASP 212 Cb 0.54 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1xji h ASP 212 CO 0.03 0.38 -0.05 0.58 -1.72 0.00 0.00 179.24 178.46 1xji h VAL 213 N 0.52 1.27 -0.36 -1.35 2.07 -1.04 -1.75 116.25 115.61 1xji h VAL 213 Ca 0.14 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1xji h VAL 213 Cb -0.01 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1xji h VAL 213 CO -0.03 0.37 0.12 0.28 0.02 0.00 0.00 177.57 178.34 1xji h SER 214 N 0.58 0.51 1.06 0.57 0.02 -1.30 0.93 113.55 115.91 1xji h SER 214 Ca 0.11 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1xji h SER 214 Cb 0.55 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1xji h SER 214 CO 0.03 0.56 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 1xji h ALA 215 N 0.97 1.00 0.00 3.77 0.00 -0.73 -1.90 119.26 122.37 1xji h ALA 215 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xji h ALA 215 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xji h ALA 215 CO -0.01 0.00 -0.26 1.63 0.00 0.00 0.00 179.25 180.61 1xji n LYS 216 N -2.37 0.14 -0.05 0.00 5.02 -0.66 -4.38 118.16 115.85 1xji n LYS 216 Ca 0.03 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 1xji n LYS 216 Cb 0.32 -0.63 -0.06 0.00 -0.02 0.00 0.00 35.03 34.64 1xji n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xji h VAL 217 N -0.26 1.28 -0.29 -0.18 2.07 -1.06 0.40 116.25 118.22 1xji h VAL 217 Ca 0.00 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 1xji h VAL 217 Cb 0.26 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1xji h VAL 217 CO 0.00 0.58 0.15 1.23 0.02 0.00 0.00 177.57 179.55 1xji h GLY 218 N 0.55 0.44 0.90 2.17 0.00 -0.94 0.54 103.07 106.75 1xji h GLY 218 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1xji h GLY 218 CO 0.13 0.20 0.07 -2.75 0.00 0.00 0.00 176.54 174.19 1xji h PHE 219 N 0.34 0.12 -0.54 5.60 3.04 -1.35 -2.51 116.94 121.64 1xji h PHE 219 Ca 0.10 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1xji h PHE 219 Cb 0.09 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 1xji h PHE 219 CO -0.02 0.07 0.35 0.78 -2.02 0.00 0.00 178.31 177.46 1xji h GLY 220 N 0.15 0.77 0.85 2.40 0.00 -0.58 -1.18 103.07 105.48 1xji h GLY 220 Ca 0.07 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.17 1xji h GLY 220 CO -0.06 0.25 0.54 1.41 0.00 0.00 0.00 176.54 178.69 1xji h LEU 221 N 0.70 0.90 -0.09 3.11 3.38 -0.68 0.29 115.31 122.92 1xji h LEU 221 Ca 0.21 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xji h LEU 221 Cb -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xji h LEU 221 CO -0.07 0.61 -0.01 0.40 0.09 0.00 0.00 178.44 179.47 1xji h ILE 222 N 1.05 1.27 0.47 1.22 2.04 -1.13 -2.51 117.51 119.92 1xji h ILE 222 Ca 0.34 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1xji h ILE 222 Cb 0.03 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1xji h ILE 222 CO -0.12 0.24 -0.23 0.25 0.00 0.00 0.00 178.15 178.29 1xji h LEU 223 N -0.13 -0.54 -0.88 1.44 5.85 -0.93 -3.18 115.31 116.94 1xji h LEU 223 Ca 0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xji h LEU 223 Cb 0.38 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xji h LEU 223 CO 0.01 -0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.08 1xji n LEU 224 N -5.27 0.60 -0.09 2.25 4.77 0.10 -1.82 117.00 117.55 1xji n LEU 224 Ca -0.11 0.69 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1xji n LEU 224 Cb 0.30 -0.65 0.18 0.00 -2.33 0.00 0.00 43.42 40.92 1xji n LEU 224 CO 0.32 -0.67 0.38 0.54 -1.33 0.00 0.00 177.39 176.62 1xji n ARG 225 N -2.21 0.26 -2.83 3.23 1.74 -0.94 -4.95 116.66 110.95 1xji n ARG 225 Ca 0.01 -0.17 -0.23 0.00 -0.77 0.00 0.00 57.85 56.69 1xji n ARG 225 Cb 0.16 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1xji n ARG 225 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1xji s SER 226 N -2.86 5.66 0.00 0.55 1.04 -0.75 -5.00 113.70 112.34 1xji s SER 226 Ca 0.14 0.26 0.26 0.00 0.48 0.00 0.00 55.95 57.09 1xji s SER 226 Cb 0.18 -1.39 0.68 0.00 0.10 0.00 0.00 66.02 65.58 1xji s SER 226 CO 0.69 -0.85 1.52 -2.11 0.98 0.00 0.00 173.24 173.47 1xji n ARG 227 N -2.20 0.45 0.06 4.02 0.00 -1.26 -4.07 116.66 113.66 1xji n ARG 227 Ca 0.03 -0.25 0.06 0.00 -0.00 0.00 0.00 57.85 57.69 1xji n ARG 227 Cb 0.58 -1.49 0.30 0.00 -0.00 0.00 0.00 32.46 31.84 1xji n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xji n ALA 228 N -1.05 1.25 1.27 2.89 0.00 -1.26 -1.94 120.51 121.67 1xji n ALA 228 Ca 0.09 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1xji n ALA 228 Cb 0.34 -1.19 0.34 0.00 0.00 0.00 0.00 19.45 18.94 1xji n ALA 228 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1xji n ILE 229 N -1.81 0.00 1.14 0.00 -5.35 -1.26 -4.92 119.36 107.16 1xji n ILE 229 Ca 0.01 -0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.38 1xji n ILE 229 Cb 0.08 0.69 0.22 0.00 -1.74 0.00 0.00 39.64 38.89 1xji n ILE 229 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28