#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of6 s ALA 19 N 0.00 3.82 -0.58 4.61 0.00 -1.26 -4.99 121.76 123.37 1of6 s ALA 19 Ca 0.00 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 1of6 s ALA 19 Cb 0.00 -3.64 0.15 0.00 0.00 0.00 0.00 23.12 19.63 1of6 s ALA 19 CO 0.00 -0.82 0.46 -2.00 0.00 0.00 0.00 175.76 173.39 1of6 s GLU 20 N 1.10 2.73 0.27 0.00 2.12 -1.26 -5.03 118.70 118.62 1of6 s GLU 20 Ca 0.71 -2.08 0.06 0.00 0.36 0.00 0.00 54.97 54.02 1of6 s GLU 20 Cb -0.45 -3.99 -0.06 0.00 0.26 0.00 0.00 34.13 29.89 1of6 s GLU 20 CO 0.32 -1.21 -0.05 -1.21 -0.54 0.00 0.00 175.26 172.56 1of6 s GLU 21 N 0.79 1.50 -1.73 4.30 2.02 -1.26 -4.89 118.70 119.43 1of6 s GLU 21 Ca 0.11 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1of6 s GLU 21 Cb -0.22 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 32.96 1of6 s GLU 21 CO -0.03 0.02 0.00 -0.25 0.02 0.00 0.00 175.26 175.02 1of6 n ASP 22 N -0.54 -4.69 0.32 -0.19 8.00 -1.26 -4.86 116.55 113.32 1of6 n ASP 22 Ca -0.06 0.33 0.20 0.00 0.71 0.00 0.00 54.79 55.97 1of6 n ASP 22 Cb 0.63 -4.14 1.10 0.00 -0.02 0.00 0.00 41.12 38.69 1of6 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1of6 h VAL 23 N 0.00 0.22 -0.17 2.53 -1.51 -2.00 -2.60 116.25 112.73 1of6 h VAL 23 Ca -0.37 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.06 1of6 h VAL 23 Cb 1.18 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1of6 h VAL 23 CO 0.51 0.00 -0.07 0.54 -1.23 0.00 0.00 177.57 177.32 1of6 n ARG 24 N -3.40 2.05 -3.84 5.19 1.74 -1.26 -4.94 116.66 112.19 1of6 n ARG 24 Ca -0.03 -2.88 -0.36 0.00 -0.77 0.00 0.00 57.85 53.81 1of6 n ARG 24 Cb 0.08 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.68 1of6 n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1of6 s ILE 25 N -2.98 4.20 -0.28 0.55 -1.09 -0.98 -4.97 121.20 115.65 1of6 s ILE 25 Ca 0.39 -0.22 0.19 0.00 -2.23 0.00 0.00 60.65 58.79 1of6 s ILE 25 Cb 0.34 -2.94 0.16 0.00 -1.58 0.00 0.00 42.46 38.44 1of6 s ILE 25 CO 0.04 0.37 1.43 -0.07 -1.23 0.00 0.00 174.94 175.47 1of6 h LEU 26 N 8.01 0.00 0.00 2.97 3.38 -1.92 -3.49 115.31 124.26 1of6 h LEU 26 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1of6 h LEU 26 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1of6 h LEU 26 CO 0.59 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1of6 n GLY 27 N 1.18 1.82 3.21 0.83 0.00 -1.26 -5.11 105.19 105.86 1of6 n GLY 27 Ca 0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1of6 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1of6 s TYR 28 N -2.00 2.91 0.01 1.61 2.02 -1.26 -5.11 117.35 115.52 1of6 s TYR 28 Ca 0.00 -1.36 0.02 0.00 -0.37 0.00 0.00 57.07 55.36 1of6 s TYR 28 Cb 0.00 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1of6 s TYR 28 CO 0.00 -0.69 -0.01 -0.51 -1.57 0.00 0.00 175.55 172.77 1of6 s ASP 29 N 1.37 5.04 0.53 2.29 1.11 -1.26 -5.06 116.67 120.69 1of6 s ASP 29 Ca 0.04 -0.04 -0.18 0.00 0.18 0.00 0.00 52.55 52.55 1of6 s ASP 29 Cb -0.14 -1.29 -0.06 0.00 1.07 0.00 0.00 42.92 42.50 1of6 s ASP 29 CO -0.07 0.27 1.03 -2.16 1.18 0.00 0.00 175.17 175.42 1of6 s PRO 30 N -1.61 3.64 -0.07 8.23 0.04 -1.26 -5.03 135.00 138.93 1of6 s PRO 30 Ca 0.20 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.48 1of6 s PRO 30 Cb -0.11 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1of6 s PRO 30 CO 0.11 -0.55 -0.09 -1.17 0.04 0.00 0.00 177.00 175.33 1of6 s LEU 31 N -3.98 1.47 0.26 -3.56 2.96 -1.26 -4.90 118.68 109.67 1of6 s LEU 31 Ca 0.64 -0.26 -0.31 0.00 -0.22 0.00 0.00 54.13 53.99 1of6 s LEU 31 Cb -0.15 -0.74 -0.11 0.00 0.50 0.00 0.00 46.19 45.69 1of6 s LEU 31 CO 0.28 -0.02 1.61 0.00 -1.32 0.00 0.00 176.35 176.91 1of6 s ALA 32 N 0.95 3.79 0.65 5.97 0.00 -1.26 -4.99 121.76 126.87 1of6 s ALA 32 Ca -0.10 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 1of6 s ALA 32 Cb -0.15 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1of6 s ALA 32 CO 0.00 -0.94 1.19 -1.54 0.00 0.00 0.00 175.76 174.48 1of6 s SER 33 N 0.69 4.83 0.20 0.00 1.04 -1.26 -4.84 113.70 114.37 1of6 s SER 33 Ca 0.66 2.33 -0.12 0.00 0.48 0.00 0.00 55.95 59.29 1of6 s SER 33 Cb -0.48 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.28 1of6 s SER 33 CO 0.43 -1.83 1.68 -0.65 0.98 0.00 0.00 173.24 173.85 1of6 h PRO 34 N 0.36 0.14 -0.37 4.02 0.11 -1.82 -1.50 132.00 132.93 1of6 h PRO 34 Ca -0.49 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1of6 h PRO 34 Cb 1.29 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 1of6 h PRO 34 CO 0.53 0.09 -0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1of6 h ALA 35 N 1.47 0.33 -0.19 -0.75 0.00 -1.22 -0.84 119.26 118.07 1of6 h ALA 35 Ca 0.28 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.35 1of6 h ALA 35 Cb 0.42 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1of6 h ALA 35 CO -0.43 -0.40 -0.13 1.25 0.00 0.00 0.00 179.25 179.54 1of6 h LEU 36 N 0.10 -0.41 -1.06 0.00 5.85 -1.64 -2.36 115.31 115.79 1of6 h LEU 36 Ca 0.18 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 1of6 h LEU 36 Cb 0.26 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1of6 h LEU 36 CO -0.31 -0.16 0.03 -0.07 -0.34 0.00 0.00 178.44 177.59 1of6 h LEU 37 N -0.12 0.67 -1.61 2.25 3.38 -0.94 -0.39 115.31 118.55 1of6 h LEU 37 Ca 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1of6 h LEU 37 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1of6 h LEU 37 CO -0.27 0.71 -0.09 1.56 0.09 0.00 0.00 178.44 180.45 1of6 h GLN 38 N 0.67 0.00 0.13 1.13 4.20 -0.90 -0.49 115.11 119.85 1of6 h GLN 38 Ca 0.14 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.58 1of6 h GLN 38 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1of6 h GLN 38 CO 0.01 0.09 -1.33 0.28 -0.67 0.00 0.00 178.83 177.20 1of6 h VAL 39 N 0.00 1.11 -0.14 -0.54 2.07 -1.06 -3.27 116.25 114.42 1of6 h VAL 39 Ca -0.00 -2.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.04 1of6 h VAL 39 Cb 0.49 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1of6 h VAL 39 CO 0.01 0.72 -0.10 1.56 0.02 0.00 0.00 177.57 179.78 1of6 h GLN 40 N -0.28 0.21 -2.52 1.57 4.20 -0.85 -3.32 115.11 114.12 1of6 h GLN 40 Ca -0.28 -0.04 -0.60 0.00 0.06 0.00 0.00 58.65 57.79 1of6 h GLN 40 Cb 1.77 -0.03 -0.41 0.00 0.30 0.00 0.00 27.48 29.11 1of6 h GLN 40 CO 0.09 0.32 -0.74 -0.89 -0.67 0.00 0.00 178.83 176.93 1of6 n ILE 41 N -4.32 0.89 -2.60 2.54 5.41 -0.21 -5.10 119.36 115.97 1of6 n ILE 41 Ca -0.01 -4.54 -0.34 0.00 1.00 0.00 0.00 62.75 58.86 1of6 n ILE 41 Cb 0.24 -2.02 -0.04 0.00 -0.71 0.00 0.00 39.64 37.11 1of6 n ILE 41 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1of6 s PRO 42 N -1.39 3.94 0.26 0.38 0.04 -1.23 -4.64 135.00 132.34 1of6 s PRO 42 Ca 0.32 1.33 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 1of6 s PRO 42 Cb 0.06 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1of6 s PRO 42 CO -0.12 -0.31 0.89 0.00 0.04 0.00 0.00 177.00 177.50 1of6 s ALA 43 N -1.98 3.32 0.76 8.56 0.00 -1.26 -5.03 121.76 126.13 1of6 s ALA 43 Ca 0.65 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1of6 s ALA 43 Cb -0.16 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 19.89 1of6 s ALA 43 CO 0.19 0.22 1.13 0.95 0.00 0.00 0.00 175.76 178.26 1of6 s THR 44 N -1.37 2.83 0.53 0.00 -4.23 -1.26 -4.90 115.64 107.24 1of6 s THR 44 Ca 0.44 0.27 0.21 0.00 -1.18 0.00 0.00 61.69 61.43 1of6 s THR 44 Cb -0.22 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 70.70 1of6 s THR 44 CO 0.27 -0.35 2.10 -0.65 -0.54 0.00 0.00 174.62 175.45 1of6 h PRO 45 N -0.86 0.00 -0.04 3.99 0.11 -2.00 -2.71 132.00 130.49 1of6 h PRO 45 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1of6 h PRO 45 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1of6 h PRO 45 CO 0.64 0.00 -0.18 1.15 -0.21 0.00 0.00 178.00 179.40 1of6 h THR 46 N 0.00 1.47 -0.74 -1.15 2.02 -1.91 -2.37 112.91 110.22 1of6 h THR 46 Ca 0.09 -1.66 0.13 0.00 0.77 0.00 0.00 66.41 65.74 1of6 h THR 46 Cb 0.36 2.44 -0.13 0.00 -1.74 0.00 0.00 68.15 69.08 1of6 h THR 46 CO -0.00 0.46 -0.32 0.28 0.37 0.00 0.00 175.52 176.30 1of6 h SER 47 N -0.37 -1.15 -0.21 4.18 0.02 -1.61 0.12 113.55 114.52 1of6 h SER 47 Ca -0.01 0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1of6 h SER 47 Cb 0.84 0.61 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 1of6 h SER 47 CO 0.04 -0.29 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.03 1of6 h LEU 48 N -0.09 0.77 -0.59 5.07 3.38 -1.50 -1.31 115.31 121.03 1of6 h LEU 48 Ca 0.29 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1of6 h LEU 48 Cb 0.57 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1of6 h LEU 48 CO -0.79 1.04 0.20 -0.08 0.09 0.00 0.00 178.44 178.89 1of6 h GLU 49 N 0.61 0.91 -0.57 1.13 4.57 -1.19 -2.74 114.58 117.30 1of6 h GLU 49 Ca 0.06 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1of6 h GLU 49 Cb 0.87 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1of6 h GLU 49 CO 0.08 0.81 0.13 1.15 -1.18 0.00 0.00 179.01 179.99 1of6 h THR 50 N 0.83 1.23 -0.31 0.32 2.02 -0.21 -0.71 112.91 116.08 1of6 h THR 50 Ca 0.19 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 1of6 h THR 50 Cb 0.27 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1of6 h THR 50 CO -0.01 0.32 -0.17 0.00 0.37 0.00 0.00 175.52 176.04 1of6 h ALA 51 N 1.29 0.44 -0.08 6.16 0.00 -1.06 -0.81 119.26 125.20 1of6 h ALA 51 Ca 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1of6 h ALA 51 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1of6 h ALA 51 CO 0.00 0.36 0.04 0.87 0.00 0.00 0.00 179.25 180.52 1of6 h LYS 52 N 0.43 0.12 -0.65 0.00 1.57 -1.27 -2.02 116.57 114.74 1of6 h LYS 52 Ca 0.07 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1of6 h LYS 52 Cb 0.70 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1of6 h LYS 52 CO 0.05 0.18 0.37 -0.09 -0.57 0.00 0.00 179.45 179.38 1of6 h ARG 53 N 0.03 0.67 -0.96 3.15 2.43 -0.95 -1.69 114.38 117.05 1of6 h ARG 53 Ca 0.03 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1of6 h ARG 53 Cb 0.10 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 1of6 h ARG 53 CO -0.00 0.44 0.62 0.78 -1.51 0.00 0.00 179.97 180.29 1of6 h GLY 54 N 0.69 1.46 0.85 2.80 0.00 -0.77 -2.21 103.07 105.89 1of6 h GLY 54 Ca 0.29 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1of6 h GLY 54 CO -0.17 0.32 -0.19 3.21 0.00 0.00 0.00 176.54 179.72 1of6 h ARG 55 N 1.12 -0.50 -0.65 4.80 3.08 -0.62 -1.56 114.38 120.06 1of6 h ARG 55 Ca 0.41 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.61 1of6 h ARG 55 Cb 0.16 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 1of6 h ARG 55 CO -0.17 -0.25 0.21 0.00 -1.07 0.00 0.00 179.97 178.69 1of6 h ARG 56 N -0.67 0.35 -0.25 0.04 3.08 -1.17 0.14 114.38 115.90 1of6 h ARG 56 Ca -0.05 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1of6 h ARG 56 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1of6 h ARG 56 CO 0.09 0.23 -0.06 0.93 -1.07 0.00 0.00 179.97 180.08 1of6 h GLU 57 N 0.36 0.49 -0.30 0.04 5.08 -1.33 -0.61 114.58 118.30 1of6 h GLU 57 Ca 0.34 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1of6 h GLU 57 Cb 0.49 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1of6 h GLU 57 CO -0.38 0.71 0.18 0.00 -1.00 0.00 0.00 179.01 178.53 1of6 h ALA 58 N 0.76 0.38 -0.24 3.43 0.00 -0.98 -1.85 119.26 120.77 1of6 h ALA 58 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1of6 h ALA 58 Cb 0.53 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1of6 h ALA 58 CO 0.03 -0.18 -0.18 0.82 0.00 0.00 0.00 179.25 179.74 1of6 h ILE 59 N 0.38 0.51 -0.09 0.00 2.04 -0.47 -1.55 117.51 118.34 1of6 h ILE 59 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1of6 h ILE 59 Cb -0.02 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1of6 h ILE 59 CO -0.04 0.00 -0.18 0.44 0.00 0.00 0.00 178.15 178.37 1of6 h ASP 60 N -0.17 0.14 0.12 1.72 3.32 -0.84 -2.23 116.42 118.48 1of6 h ASP 60 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1of6 h ASP 60 Cb 0.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1of6 h ASP 60 CO -0.34 0.33 -0.06 0.40 -1.72 0.00 0.00 179.24 177.85 1of6 h ILE 61 N 0.14 1.05 0.00 0.35 2.04 -0.81 -1.23 117.51 119.04 1of6 h ILE 61 Ca 0.03 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1of6 h ILE 61 Cb 0.41 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1of6 h ILE 61 CO 0.03 0.25 -0.21 0.16 0.00 0.00 0.00 178.15 178.37 1of6 h ILE 62 N -0.74 0.61 -0.00 -0.67 3.07 -1.13 -1.76 117.51 116.88 1of6 h ILE 62 Ca -0.02 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.40 1of6 h ILE 62 Cb 0.54 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1of6 h ILE 62 CO 0.03 0.21 -0.16 0.35 -1.05 0.00 0.00 178.15 177.53 1of6 n THR 63 N -3.49 0.00 -0.45 0.16 -2.24 -0.85 -0.66 114.28 106.75 1of6 n THR 63 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1of6 n THR 63 Cb 0.38 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1of6 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1of6 n GLY 64 N 1.37 0.77 0.02 3.38 0.00 -0.66 -4.95 105.19 105.13 1of6 n GLY 64 Ca 0.11 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1of6 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1of6 n LYS 65 N -2.45 0.10 -4.21 1.61 5.02 -0.54 -4.80 118.16 112.89 1of6 n LYS 65 Ca 0.00 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 1of6 n LYS 65 Cb 0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 1of6 n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1of6 s ASP 66 N -2.94 0.92 0.00 4.39 -1.08 -0.75 -4.95 116.67 112.26 1of6 s ASP 66 Ca 0.13 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 1of6 s ASP 66 Cb 0.18 -0.36 0.88 0.00 -1.46 0.00 0.00 42.92 42.16 1of6 s ASP 66 CO 0.64 -0.01 1.64 -0.90 0.52 0.00 0.00 175.17 177.06 1of6 n ASP 67 N 3.72 1.73 -4.78 -0.34 5.68 -1.26 -4.54 116.55 116.76 1of6 n ASP 67 Ca -0.22 -1.61 -0.32 0.00 -0.50 0.00 0.00 54.79 52.14 1of6 n ASP 67 Cb 0.53 -0.04 0.06 0.00 -1.14 0.00 0.00 41.12 40.53 1of6 n ASP 67 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1of6 s ARG 68 N -1.93 2.67 -0.08 0.11 0.52 -1.26 -4.96 118.95 114.02 1of6 s ARG 68 Ca 0.36 1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 56.65 1of6 s ARG 68 Cb 0.20 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.68 1of6 s ARG 68 CO 0.31 -1.33 0.34 0.08 0.02 0.00 0.00 175.30 174.72 1of6 s VAL 69 N -2.67 5.20 -0.16 3.52 1.01 -0.97 -4.88 120.40 121.45 1of6 s VAL 69 Ca 0.63 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 63.00 1of6 s VAL 69 Cb -0.18 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1of6 s VAL 69 CO 0.49 0.50 0.95 -0.22 0.00 0.00 0.00 175.10 176.81 1of6 s LEU 70 N -0.40 4.18 -0.19 3.92 2.96 0.49 -0.39 118.68 129.24 1of6 s LEU 70 Ca 0.20 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1of6 s LEU 70 Cb -0.15 -3.42 0.01 0.00 0.50 0.00 0.00 46.19 43.13 1of6 s LEU 70 CO 0.09 -0.49 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.79 1of6 s VAL 71 N 2.39 2.55 -0.44 1.68 1.01 -0.73 0.09 120.40 126.95 1of6 s VAL 71 Ca 0.43 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1of6 s VAL 71 Cb -0.17 -2.11 0.07 0.00 0.00 0.00 0.00 36.38 34.18 1of6 s VAL 71 CO 0.13 0.50 0.32 -0.63 0.00 0.00 0.00 175.10 175.41 1of6 s ILE 72 N 1.31 4.66 -0.02 2.22 -1.09 0.15 -1.27 121.20 127.16 1of6 s ILE 72 Ca 0.04 -1.24 0.02 0.00 -2.23 0.00 0.00 60.65 57.24 1of6 s ILE 72 Cb -0.14 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1of6 s ILE 72 CO -0.09 -0.53 -0.08 0.54 -1.23 0.00 0.00 174.94 173.55 1of6 s VAL 73 N 1.52 0.69 -5.00 2.92 0.11 -0.44 -1.36 120.40 118.85 1of6 s VAL 73 Ca 0.03 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1of6 s VAL 73 Cb -0.23 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1of6 s VAL 73 CO 0.04 0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 1of6 n GLY 74 N 3.20 -1.42 3.52 6.54 0.00 -0.90 -1.32 105.19 114.81 1of6 n GLY 74 Ca -0.17 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1of6 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1of6 n PRO 75 N -0.64 0.33 -0.20 1.61 -0.02 0.93 -1.35 135.00 135.66 1of6 n PRO 75 Ca 0.00 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1of6 n PRO 75 Cb 0.00 -1.97 0.11 0.00 -0.02 0.00 0.00 33.50 31.62 1of6 n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1of6 s SER 77 N -5.26 -0.43 -0.32 0.00 1.04 -1.26 -4.61 113.70 102.85 1of6 s SER 77 Ca -0.13 0.28 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 1of6 s SER 77 Cb 0.19 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1of6 s SER 77 CO 0.74 -0.63 0.14 -0.63 0.98 0.00 0.00 173.24 173.84 1of6 s ILE 78 N -1.90 4.34 -0.83 -1.02 -1.09 -0.60 -4.87 121.20 115.23 1of6 s ILE 78 Ca -0.08 -0.67 0.09 0.00 -2.23 0.00 0.00 60.65 57.75 1of6 s ILE 78 Cb -0.01 -3.30 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1of6 s ILE 78 CO 0.02 -0.03 0.60 0.00 -1.23 0.00 0.00 174.94 174.30 1of6 n HIS 79 N 4.94 0.00 -3.56 3.97 1.44 -1.26 -4.65 115.22 116.10 1of6 n HIS 79 Ca -0.13 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.34 1of6 n HIS 79 Cb 0.48 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.43 1of6 n HIS 79 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1of6 s ASP 80 N -1.27 2.03 0.27 4.39 -1.08 -1.26 -4.97 116.67 114.78 1of6 s ASP 80 Ca 0.07 -0.50 0.08 0.00 -0.52 0.00 0.00 52.55 51.69 1of6 s ASP 80 Cb 0.07 -0.01 0.36 0.00 -1.46 0.00 0.00 42.92 41.88 1of6 s ASP 80 CO 0.23 -0.35 1.62 -0.07 0.52 0.00 0.00 175.17 177.12 1of6 h LEU 81 N 8.38 0.11 -0.04 -1.34 4.07 -1.98 -1.67 115.31 122.83 1of6 h LEU 81 Ca -0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 1of6 h LEU 81 Cb 1.15 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 1of6 h LEU 81 CO 0.29 0.66 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.94 1of6 h GLU 82 N 0.07 0.10 -0.82 1.13 3.07 -1.99 -1.01 114.58 115.14 1of6 h GLU 82 Ca -0.00 -0.06 0.18 0.00 -0.50 0.00 0.00 59.36 58.97 1of6 h GLU 82 Cb 1.04 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.84 1of6 h GLU 82 CO 0.08 0.58 0.32 0.00 -1.40 0.00 0.00 179.01 178.60 1of6 h ALA 83 N 0.52 1.20 -0.79 3.43 0.00 -1.99 -1.74 119.26 119.88 1of6 h ALA 83 Ca 0.01 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1of6 h ALA 83 Cb 0.57 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1of6 h ALA 83 CO 0.01 -0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.37 1of6 h ALA 84 N 1.63 1.17 -0.37 0.00 0.00 -1.22 -1.31 119.26 119.16 1of6 h ALA 84 Ca 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1of6 h ALA 84 Cb 0.81 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1of6 h ALA 84 CO -0.47 0.63 0.07 0.37 0.00 0.00 0.00 179.25 179.85 1of6 h GLN 85 N 1.13 0.60 -0.49 0.00 5.75 -0.45 0.22 115.11 121.88 1of6 h GLN 85 Ca 0.27 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1of6 h GLN 85 Cb 0.12 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1of6 h GLN 85 CO -0.03 0.65 0.23 1.49 -2.65 0.00 0.00 178.83 178.52 1of6 h GLU 86 N 0.45 0.71 -0.65 1.69 4.81 -1.21 -1.81 114.58 118.57 1of6 h GLU 86 Ca 0.11 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1of6 h GLU 86 Cb 0.33 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1of6 h GLU 86 CO 0.00 0.60 0.42 -0.92 -0.73 0.00 0.00 179.01 178.39 1of6 h TYR 87 N 0.65 0.83 -0.62 0.92 5.03 -1.08 -2.75 116.97 119.95 1of6 h TYR 87 Ca 0.17 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 1of6 h TYR 87 Cb 0.13 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 1of6 h TYR 87 CO -0.01 0.53 0.01 0.00 -1.32 0.00 0.00 178.16 177.38 1of6 h ALA 88 N 1.23 0.86 -0.97 1.82 0.00 -0.04 -2.17 119.26 119.99 1of6 h ALA 88 Ca 0.24 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1of6 h ALA 88 Cb -0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1of6 h ALA 88 CO -0.05 0.67 0.63 -0.07 0.00 0.00 0.00 179.25 180.43 1of6 h LEU 89 N 0.98 1.07 -1.24 0.00 4.07 -1.22 0.18 115.31 119.16 1of6 h LEU 89 Ca 0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1of6 h LEU 89 Cb 0.54 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1of6 h LEU 89 CO 0.03 0.75 0.26 0.03 -1.08 0.00 0.00 178.44 178.43 1of6 h ARG 90 N 1.25 0.79 0.06 1.13 3.08 -1.12 -2.44 114.38 117.13 1of6 h ARG 90 Ca 0.37 -0.10 -0.25 0.00 0.07 0.00 0.00 59.98 60.07 1of6 h ARG 90 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1of6 h ARG 90 CO -0.11 0.62 -1.23 1.25 -1.07 0.00 0.00 179.97 179.43 1of6 h LEU 91 N 0.79 0.18 -0.51 3.04 5.85 -0.81 -2.16 115.31 121.69 1of6 h LEU 91 Ca 0.20 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1of6 h LEU 91 Cb 0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1of6 h LEU 91 CO -0.03 1.18 -0.17 0.50 -0.34 0.00 0.00 178.44 179.58 1of6 h LYS 92 N 0.03 1.02 -0.10 1.25 1.63 -0.92 0.18 116.57 119.66 1of6 h LYS 92 Ca -0.11 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 1of6 h LYS 92 Cb 1.89 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1of6 h LYS 92 CO 0.15 1.10 -0.01 -0.22 -3.45 0.00 0.00 179.45 177.02 1of6 h LYS 93 N 0.88 0.17 -0.99 1.90 3.64 -1.33 -1.49 116.57 119.36 1of6 h LYS 93 Ca 0.12 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1of6 h LYS 93 Cb 0.75 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 1of6 h LYS 93 CO 0.06 0.46 0.65 1.25 -2.27 0.00 0.00 179.45 179.60 1of6 h LEU 94 N -0.12 1.13 -0.36 5.20 5.85 -1.32 -2.88 115.31 122.81 1of6 h LEU 94 Ca 0.03 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1of6 h LEU 94 Cb 0.38 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1of6 h LEU 94 CO 0.01 0.81 0.13 -1.28 -0.34 0.00 0.00 178.44 177.77 1of6 h SER 95 N 1.33 0.15 -0.76 1.25 0.87 -0.51 -1.57 113.55 114.31 1of6 h SER 95 Ca 0.36 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 61.10 1of6 h SER 95 Cb -0.14 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 1of6 h SER 95 CO -0.08 0.13 0.51 0.44 -0.53 0.00 0.00 176.83 177.29 1of6 h ASP 96 N 0.29 0.42 -0.03 6.23 3.32 -1.07 0.05 116.42 125.63 1of6 h ASP 96 Ca 0.16 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.02 1of6 h ASP 96 Cb 0.13 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1of6 h ASP 96 CO -0.16 0.22 -0.77 -0.08 -1.72 0.00 0.00 179.24 176.73 1of6 h GLU 97 N 0.45 0.68 -0.45 3.56 4.81 -1.11 -3.32 114.58 119.21 1of6 h GLU 97 Ca 0.37 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1of6 h GLU 97 Cb 0.81 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1of6 h GLU 97 CO -0.13 1.18 0.00 1.28 -0.73 0.00 0.00 179.01 180.61 1of6 n LEU 98 N -3.91 4.06 0.30 1.64 4.77 -0.71 -4.60 117.00 118.56 1of6 n LEU 98 Ca -0.07 -2.52 0.17 0.00 -0.03 0.00 0.00 56.01 53.57 1of6 n LEU 98 Cb 0.74 -0.48 0.91 0.00 -2.33 0.00 0.00 43.42 42.26 1of6 n LEU 98 CO 0.52 0.74 1.07 0.07 -1.33 0.00 0.00 177.39 178.46 1of6 h LYS 99 N 2.86 0.00 0.00 3.23 2.10 -1.12 0.41 116.57 124.05 1of6 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1of6 h LYS 99 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1of6 h LYS 99 CO 0.18 0.04 0.00 0.78 -2.00 0.00 0.00 179.45 178.45 1of6 h GLY 100 N 0.70 0.00 0.00 0.07 0.00 -1.87 -3.36 103.07 98.61 1of6 h GLY 100 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1of6 h GLY 100 CO 0.01 0.00 -1.04 1.22 0.00 0.00 0.00 176.54 176.72 1of6 n ASP 101 N -3.00 4.80 -3.95 0.19 8.00 -0.01 -4.85 116.55 117.73 1of6 n ASP 101 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1of6 n ASP 101 Cb 0.28 0.92 -0.15 0.00 -0.02 0.00 0.00 41.12 42.14 1of6 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1of6 s LEU 102 N -3.29 1.73 -0.31 0.64 1.43 -0.36 -2.28 118.68 116.25 1of6 s LEU 102 Ca -0.00 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1of6 s LEU 102 Cb 0.00 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.86 1of6 s LEU 102 CO 0.04 0.03 0.07 -0.55 0.23 0.00 0.00 176.35 176.17 1of6 s SER 103 N 0.27 5.10 -0.15 2.29 0.15 0.47 -4.24 113.70 117.60 1of6 s SER 103 Ca -0.03 -0.88 -0.05 0.00 0.70 0.00 0.00 55.95 55.68 1of6 s SER 103 Cb -0.08 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1of6 s SER 103 CO -0.00 -0.23 0.03 -0.63 1.20 0.00 0.00 173.24 173.61 1of6 s ILE 104 N 1.44 4.56 -0.05 6.45 1.01 -1.26 -1.77 121.20 131.58 1of6 s ILE 104 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1of6 s ILE 104 Cb -0.18 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1of6 s ILE 104 CO 0.02 0.52 -0.13 -0.63 0.00 0.00 0.00 174.94 174.71 1of6 s ILE 105 N -0.11 1.19 0.05 2.92 1.01 -0.40 -4.50 121.20 121.36 1of6 s ILE 105 Ca 0.06 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 1of6 s ILE 105 Cb -0.12 -1.06 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 1of6 s ILE 105 CO 0.02 0.36 0.74 -0.32 0.00 0.00 0.00 174.94 175.73 1of6 s MET 106 N 0.40 4.47 -0.02 2.79 -2.45 0.65 -1.33 119.30 123.82 1of6 s MET 106 Ca -0.10 1.02 -0.30 0.00 -1.25 0.00 0.00 55.69 55.06 1of6 s MET 106 Cb -0.13 -3.35 -0.08 0.00 1.25 0.00 0.00 34.83 32.52 1of6 s MET 106 CO 0.03 0.32 1.92 1.03 1.05 0.00 0.00 175.02 179.37 1of6 s ARG 107 N -0.16 4.02 -0.53 4.11 0.52 -0.43 -1.63 118.95 124.84 1of6 s ARG 107 Ca 0.37 2.42 0.07 0.00 -0.52 0.00 0.00 55.73 58.08 1of6 s ARG 107 Cb -0.20 -4.15 0.30 0.00 0.52 0.00 0.00 34.95 31.41 1of6 s ARG 107 CO 0.22 -1.08 0.77 0.00 0.02 0.00 0.00 175.30 175.23 1of6 n ALA 108 N 7.99 3.65 -2.40 2.13 0.00 0.03 -4.13 120.51 127.78 1of6 n ALA 108 Ca 0.20 -4.29 -0.31 0.00 0.00 0.00 0.00 53.44 49.05 1of6 n ALA 108 Cb 0.42 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1of6 n ALA 108 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1of6 s TYR 109 N -2.58 3.44 -0.58 0.00 1.51 -1.26 -4.48 117.35 113.40 1of6 s TYR 109 Ca 0.42 0.85 0.09 0.00 -1.01 0.00 0.00 57.07 57.43 1of6 s TYR 109 Cb 0.23 -2.26 -0.07 0.00 -0.11 0.00 0.00 41.96 39.76 1of6 s TYR 109 CO -0.08 0.19 0.46 1.28 -1.11 0.00 0.00 175.55 176.29 1of6 n LEU 110 N -0.48 0.68 -3.59 -1.29 4.32 -1.26 -1.56 117.00 113.82 1of6 n LEU 110 Ca 0.00 -0.59 -0.11 0.00 -0.02 0.00 0.00 56.01 55.29 1of6 n LEU 110 Cb 0.53 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1of6 n LEU 110 CO 0.46 0.15 0.69 -0.70 -1.22 0.00 0.00 177.39 176.77 1of6 s GLU 111 N -1.68 0.65 -0.03 3.23 2.12 -1.26 -0.46 118.70 121.28 1of6 s GLU 111 Ca 0.05 0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1of6 s GLU 111 Cb 0.07 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 1of6 s GLU 111 CO 0.33 -0.16 -0.04 0.21 -0.54 0.00 0.00 175.26 175.05 1of6 s LYS 112 N -0.58 2.72 -0.36 4.30 2.20 -1.26 -4.87 119.74 121.88 1of6 s LYS 112 Ca -0.01 -0.60 -0.45 0.00 -0.36 0.00 0.00 55.97 54.54 1of6 s LYS 112 Cb -0.02 -2.60 -0.20 0.00 -1.51 0.00 0.00 37.83 33.50 1of6 s LYS 112 CO 0.00 0.64 1.50 -2.30 -0.36 0.00 0.00 175.35 174.83 1of6 n PRO 113 N 1.80 0.12 -2.13 4.03 -0.02 -1.26 -5.01 135.00 132.53 1of6 n PRO 113 Ca -0.16 0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.06 1of6 n PRO 113 Cb 0.53 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1of6 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1of6 s ARG 114 N 2.36 3.64 0.15 -0.52 1.81 -1.26 -5.15 118.95 119.98 1of6 s ARG 114 Ca 1.01 0.65 0.03 0.00 -1.72 0.00 0.00 55.73 55.71 1of6 s ARG 114 Cb -1.40 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1of6 s ARG 114 CO 0.75 -0.44 0.24 0.14 -0.68 0.00 0.00 175.30 175.30 1of6 s VAL 117 N -2.99 5.05 -0.20 3.52 -7.23 -1.26 -5.27 120.40 112.02 1of6 s VAL 117 Ca 0.54 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1of6 s VAL 117 Cb -0.11 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1of6 s VAL 117 CO 0.48 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 1of6 n GLY 118 N -0.47 0.28 3.73 2.32 0.00 -1.26 -5.08 105.19 104.71 1of6 n GLY 118 Ca -0.07 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.23 1of6 n GLY 118 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1of6 n TRP 119 N 0.29 2.76 1.52 1.61 -0.00 -1.26 -4.86 117.44 117.50 1of6 n TRP 119 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 57.50 57.68 1of6 n TRP 119 Cb 0.00 -2.64 0.18 0.00 -0.00 0.00 0.00 31.31 28.86 1of6 n TRP 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1of6 n LYS 120 N 3.21 1.37 0.00 5.87 5.02 -1.26 -4.83 118.16 127.53 1of6 n LYS 120 Ca 0.13 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1of6 n LYS 120 Cb 0.35 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1of6 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1of6 n GLY 121 N 0.81 -0.15 0.07 0.72 0.00 -1.26 -4.48 105.19 100.91 1of6 n GLY 121 Ca 0.08 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 1of6 n GLY 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1of6 h LEU 122 N 0.00 0.00 0.29 0.99 5.85 -1.02 0.27 115.31 121.69 1of6 h LEU 122 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1of6 h LEU 122 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1of6 h LEU 122 CO 0.00 0.96 -0.14 0.40 -0.34 0.00 0.00 178.44 179.32 1of6 h ILE 123 N 0.00 0.66 0.00 4.05 2.04 -1.76 -3.15 117.51 119.36 1of6 h ILE 123 Ca -0.04 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1of6 h ILE 123 Cb 1.77 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1of6 h ILE 123 CO 0.12 0.13 -0.00 0.78 0.00 0.00 0.00 178.15 179.18 1of6 h ASN 124 N -0.84 -0.01 -2.14 1.72 2.35 -1.78 -3.30 115.58 111.59 1of6 h ASN 124 Ca -0.04 -0.26 -0.56 0.00 -0.55 0.00 0.00 56.30 54.89 1of6 h ASN 124 Cb 0.52 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.48 1of6 h ASN 124 CO 0.07 0.26 -0.87 -0.67 -1.65 0.00 0.00 177.43 174.56 1of6 n ASP 125 N -4.97 2.54 0.21 5.81 2.03 0.08 -1.20 116.55 121.06 1of6 n ASP 125 Ca -0.08 -3.27 0.15 0.00 0.52 0.00 0.00 54.79 52.12 1of6 n ASP 125 Cb 0.15 -0.62 0.64 0.00 -0.72 0.00 0.00 41.12 40.57 1of6 n ASP 125 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1of6 h PRO 126 N 3.45 0.00 -0.06 -0.67 0.13 -1.67 -1.66 132.00 131.52 1of6 h PRO 126 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1of6 h PRO 126 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1of6 h PRO 126 CO 0.67 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 1of6 n ASP 127 N -2.66 1.49 -3.70 1.44 8.00 -1.26 -4.96 116.55 114.90 1of6 n ASP 127 Ca 0.01 -1.54 -0.24 0.00 0.71 0.00 0.00 54.79 53.73 1of6 n ASP 127 Cb 0.24 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1of6 n ASP 127 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1of6 n VAL 128 N 0.17 -4.94 -1.69 2.53 0.31 -0.62 -4.87 118.33 109.22 1of6 n VAL 128 Ca 0.18 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1of6 n VAL 128 Cb 0.34 -3.95 0.00 0.00 -0.91 0.00 0.00 33.84 29.32 1of6 n VAL 128 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1of6 n ASN 129 N -2.97 0.00 -3.84 4.52 6.94 -1.26 -4.20 115.26 114.44 1of6 n ASN 129 Ca -0.24 -1.61 -0.30 0.00 -0.02 0.00 0.00 54.58 52.41 1of6 n ASN 129 Cb 0.66 -0.12 -0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1of6 n ASN 129 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1of6 n ASN 130 N 0.00 -4.02 -3.36 0.53 5.15 -1.26 -5.03 115.26 107.27 1of6 n ASN 130 Ca 0.00 -0.73 -0.12 0.00 -0.60 0.00 0.00 54.58 53.13 1of6 n ASN 130 Cb 0.62 -3.26 0.01 0.00 -0.53 0.00 0.00 39.78 36.62 1of6 n ASN 130 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1of6 n THR 131 N -4.35 0.00 -4.64 -0.44 -2.24 -1.26 -5.15 114.28 96.21 1of6 n THR 131 Ca 0.04 -1.01 -0.23 0.00 -2.27 0.00 0.00 64.05 60.58 1of6 n THR 131 Cb 0.52 -0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.21 1of6 n THR 131 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1of6 s PHE 132 N -1.16 1.32 -0.41 4.78 0.08 -1.26 -4.29 117.98 117.03 1of6 s PHE 132 Ca 0.18 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.93 1of6 s PHE 132 Cb -0.01 -0.88 0.25 0.00 -0.57 0.00 0.00 43.02 41.80 1of6 s PHE 132 CO 0.11 -0.09 1.05 -1.71 -0.10 0.00 0.00 175.22 174.48 1of6 n ASN 133 N 3.01 -2.14 -0.17 1.36 2.85 -0.34 -5.02 115.26 114.82 1of6 n ASN 133 Ca -0.17 -2.46 -0.03 0.00 -0.11 0.00 0.00 54.58 51.82 1of6 n ASN 133 Cb 0.54 1.26 0.18 0.00 1.24 0.00 0.00 39.78 43.00 1of6 n ASN 133 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1of6 h ILE 134 N 2.35 1.23 -0.24 -1.44 5.03 -1.74 0.61 117.51 123.30 1of6 h ILE 134 Ca -0.16 -0.74 -0.01 0.00 -0.12 0.00 0.00 64.86 63.83 1of6 h ILE 134 Cb 1.12 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.41 1of6 h ILE 134 CO 0.05 0.29 0.13 0.78 -0.68 0.00 0.00 178.15 178.72 1of6 h ASN 135 N 0.90 0.30 0.32 1.72 2.35 -1.90 0.15 115.58 119.43 1of6 h ASN 135 Ca 0.21 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1of6 h ASN 135 Cb 0.22 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1of6 h ASN 135 CO -0.01 0.31 -0.30 0.50 -1.65 0.00 0.00 177.43 176.27 1of6 h LYS 136 N 0.28 0.00 -0.20 0.81 3.64 -1.83 -2.11 116.57 117.17 1of6 h LYS 136 Ca 0.08 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1of6 h LYS 136 Cb 0.07 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1of6 h LYS 136 CO -0.01 0.30 -0.62 0.78 -2.27 0.00 0.00 179.45 177.63 1of6 h GLY 137 N 0.94 0.84 1.54 5.01 0.00 -0.03 -0.44 103.07 110.93 1of6 h GLY 137 Ca -0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 47.33 46.14 1of6 h GLY 137 CO 0.04 0.98 -0.17 1.41 0.00 0.00 0.00 176.54 178.80 1of6 h LEU 138 N 0.50 0.54 0.19 3.11 3.38 -0.65 0.11 115.31 122.49 1of6 h LEU 138 Ca -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1of6 h LEU 138 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1of6 h LEU 138 CO 0.13 0.73 -0.09 1.56 0.09 0.00 0.00 178.44 180.86 1of6 h GLN 139 N 0.50 -0.25 -0.71 1.13 4.20 -1.26 -1.40 115.11 117.33 1of6 h GLN 139 Ca 0.08 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1of6 h GLN 139 Cb 0.58 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1of6 h GLN 139 CO 0.04 -0.11 0.33 0.77 -0.67 0.00 0.00 178.83 179.18 1of6 h SER 140 N -0.32 0.93 -0.61 1.46 0.02 -0.87 -0.91 113.55 113.25 1of6 h SER 140 Ca -0.03 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 1of6 h SER 140 Cb 0.25 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1of6 h SER 140 CO 0.04 0.79 0.15 0.00 -1.14 0.00 0.00 176.83 176.68 1of6 h ALA 141 N 1.35 0.80 -0.09 3.77 0.00 -0.89 -0.89 119.26 123.30 1of6 h ALA 141 Ca 0.24 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1of6 h ALA 141 Cb 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1of6 h ALA 141 CO -0.03 0.50 -0.88 -0.09 0.00 0.00 0.00 179.25 178.75 1of6 h ARG 142 N 0.88 0.73 -0.45 0.00 2.43 -0.97 -1.79 114.38 115.20 1of6 h ARG 142 Ca 0.19 -0.67 -0.07 0.00 -0.81 0.00 0.00 59.98 58.63 1of6 h ARG 142 Cb 0.34 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1of6 h ARG 142 CO 0.00 1.26 -0.00 0.37 -1.51 0.00 0.00 179.97 180.09 1of6 h GLN 143 N 0.47 0.74 0.02 0.20 5.75 -1.03 -1.99 115.11 119.27 1of6 h GLN 143 Ca -0.08 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1of6 h GLN 143 Cb 1.52 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.97 1of6 h GLN 143 CO 0.18 0.76 -0.04 1.25 -2.65 0.00 0.00 178.83 178.32 1of6 h LEU 144 N 0.70 -0.11 -1.52 -2.39 5.85 -1.03 0.28 115.31 117.08 1of6 h LEU 144 Ca 0.14 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1of6 h LEU 144 Cb 0.43 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1of6 h LEU 144 CO 0.02 -0.06 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.77 1of6 h PHE 145 N -0.09 0.28 -0.07 1.25 -1.00 -0.98 -0.05 116.94 116.28 1of6 h PHE 145 Ca 0.01 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1of6 h PHE 145 Cb 0.09 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 39.57 1of6 h PHE 145 CO -0.10 0.32 -0.40 0.28 -1.61 0.00 0.00 178.31 176.79 1of6 h VAL 146 N 0.28 1.41 -0.83 -0.55 2.07 -1.03 -2.32 116.25 115.28 1of6 h VAL 146 Ca 0.06 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 65.85 1of6 h VAL 146 Cb 0.23 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1of6 h VAL 146 CO 0.01 0.52 0.51 0.78 0.02 0.00 0.00 177.57 179.41 1of6 h ASN 147 N -0.08 0.80 -0.06 0.57 2.35 0.42 -0.21 115.58 119.37 1of6 h ASN 147 Ca -0.03 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1of6 h ASN 147 Cb 1.06 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.29 1of6 h ASN 147 CO 0.08 0.51 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.95 1of6 h LEU 148 N 0.93 0.42 -0.16 1.61 3.38 -1.05 -3.30 115.31 117.13 1of6 h LEU 148 Ca 0.36 -0.67 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1of6 h LEU 148 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1of6 h LEU 148 CO -0.17 1.02 -0.51 0.71 0.09 0.00 0.00 178.44 179.58 1of6 h THR 149 N -0.15 0.91 -0.20 0.22 1.35 -1.30 -3.15 112.91 110.58 1of6 h THR 149 Ca -0.03 -2.17 0.06 0.00 -0.55 0.00 0.00 66.41 63.72 1of6 h THR 149 Cb 1.02 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 1of6 h THR 149 CO 0.07 0.50 0.16 -1.13 -0.25 0.00 0.00 175.52 174.87 1of6 h ASN 150 N 0.00 0.00 -0.06 5.36 -1.24 -1.11 -1.43 115.58 117.10 1of6 h ASN 150 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1of6 h ASN 150 Cb 1.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.37 1of6 h ASN 150 CO 0.07 0.00 0.00 2.30 -1.29 0.00 0.00 177.43 178.51 1of6 n ILE 151 N -4.25 0.07 0.00 2.57 -5.35 -1.19 -4.61 119.36 106.59 1of6 n ILE 151 Ca 0.02 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1of6 n ILE 151 Cb 0.30 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 1of6 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1of6 n GLY 152 N 1.16 1.03 3.25 3.28 0.00 -0.54 -5.06 105.19 108.30 1of6 n GLY 152 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1of6 n GLY 152 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1of6 s LEU 153 N 0.00 3.68 0.81 0.99 2.96 -1.21 -5.01 118.68 120.90 1of6 s LEU 153 Ca 0.00 -0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 1of6 s LEU 153 Cb 0.00 -1.77 0.08 0.00 0.50 0.00 0.00 46.19 45.01 1of6 s LEU 153 CO 0.00 -0.20 1.12 -2.84 -1.32 0.00 0.00 176.35 173.11 1of6 s PRO 154 N 1.37 1.87 0.16 0.98 0.02 -1.26 -3.86 135.00 134.29 1of6 s PRO 154 Ca -0.00 1.36 0.04 0.00 0.02 0.00 0.00 61.00 62.41 1of6 s PRO 154 Cb -0.18 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 1of6 s PRO 154 CO -0.01 -1.96 -0.06 0.96 -0.33 0.00 0.00 177.00 175.60 1of6 s ILE 155 N -2.70 1.04 0.03 2.83 -4.36 -1.26 -0.26 121.20 116.52 1of6 s ILE 155 Ca 0.65 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1of6 s ILE 155 Cb -0.20 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 1of6 s ILE 155 CO 0.55 -0.63 -0.04 -0.83 0.24 0.00 0.00 174.94 174.22 1of6 s GLY 156 N -3.19 0.30 0.11 6.27 0.00 -0.65 -1.12 107.32 109.04 1of6 s GLY 156 Ca 0.20 -0.65 -0.20 0.00 0.00 0.00 0.00 44.72 44.07 1of6 s GLY 156 CO 0.02 -0.72 0.49 -0.45 0.00 0.00 0.00 173.10 172.44 1of6 s SER 157 N -1.54 -0.38 0.34 1.64 0.15 -0.36 -0.79 113.70 112.77 1of6 s SER 157 Ca -0.14 -0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.17 1of6 s SER 157 Cb -0.09 0.51 -0.09 0.00 -1.71 0.00 0.00 66.02 64.63 1of6 s SER 157 CO -0.01 -0.83 1.09 -0.70 1.20 0.00 0.00 173.24 173.99 1of6 s GLU 158 N -3.30 4.39 -0.50 5.44 2.12 -1.26 -1.31 118.70 124.27 1of6 s GLU 158 Ca -0.00 1.70 -0.17 0.00 0.36 0.00 0.00 54.97 56.85 1of6 s GLU 158 Cb 0.00 -2.89 0.07 0.00 0.26 0.00 0.00 34.13 31.58 1of6 s GLU 158 CO -0.09 0.02 0.51 -1.64 -0.54 0.00 0.00 175.26 173.52 1of6 s MET 159 N -1.94 3.04 -0.08 4.30 -1.94 0.13 -4.83 119.30 117.98 1of6 s MET 159 Ca 0.51 -1.21 0.13 0.00 -1.71 0.00 0.00 55.69 53.41 1of6 s MET 159 Cb -0.28 -4.14 -0.24 0.00 2.01 0.00 0.00 34.83 32.18 1of6 s MET 159 CO 0.36 -1.16 0.51 1.28 -0.01 0.00 0.00 175.02 176.00 1of6 n LEU 160 N 5.64 0.75 0.00 -0.03 4.32 -1.26 -4.83 117.00 121.59 1of6 n LEU 160 Ca -0.10 0.31 -0.06 0.00 -0.02 0.00 0.00 56.01 56.14 1of6 n LEU 160 Cb 0.44 0.20 0.02 0.00 -1.62 0.00 0.00 43.42 42.46 1of6 n LEU 160 CO 0.51 0.43 0.51 -0.90 -1.22 0.00 0.00 177.39 176.72 1of6 n ASP 161 N -2.99 -1.72 -0.13 -1.43 5.75 -1.26 -5.04 116.55 109.73 1of6 n ASP 161 Ca -0.21 -2.12 0.15 0.00 -0.01 0.00 0.00 54.79 52.60 1of6 n ASP 161 Cb 1.08 2.85 0.75 0.00 -1.03 0.00 0.00 41.12 44.77 1of6 n ASP 161 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1of6 n THR 162 N -0.48 0.00 -0.08 2.12 -2.24 -1.26 -4.41 114.28 107.93 1of6 n THR 162 Ca -0.05 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1of6 n THR 162 Cb 0.48 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1of6 n THR 162 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1of6 n ILE 163 N -0.79 1.38 -0.36 2.28 5.41 -1.26 -4.40 119.36 121.61 1of6 n ILE 163 Ca 0.19 0.02 0.06 0.00 1.00 0.00 0.00 62.75 64.02 1of6 n ILE 163 Cb 0.22 -2.07 0.23 0.00 -0.71 0.00 0.00 39.64 37.30 1of6 n ILE 163 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1of6 h SER 164 N -0.81 0.96 0.17 4.38 4.64 -1.99 -0.74 113.55 120.15 1of6 h SER 164 Ca -0.20 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1of6 h SER 164 Cb 1.05 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1of6 h SER 164 CO -0.12 0.54 -0.07 -0.65 -0.87 0.00 0.00 176.83 175.66 1of6 h PRO 165 N 1.04 0.00 0.00 4.77 0.11 -1.84 0.16 132.00 136.25 1of6 h PRO 165 Ca 0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 1of6 h PRO 165 Cb 0.41 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1of6 h PRO 165 CO -0.24 0.07 -0.01 1.96 -0.21 0.00 0.00 178.00 179.57 1of6 h GLN 166 N 0.00 0.00 0.00 1.05 1.08 -1.38 0.53 115.11 116.39 1of6 h GLN 166 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1of6 h GLN 166 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1of6 h GLN 166 CO 0.01 0.01 -0.35 0.66 -0.95 0.00 0.00 178.83 178.20 1of6 n TYR 167 N -3.28 0.03 -0.02 2.96 4.02 0.04 -4.55 117.16 116.36 1of6 n TYR 167 Ca -0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1of6 n TYR 167 Cb 0.10 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 1of6 n TYR 167 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1of6 n LEU 168 N -1.53 0.00 0.07 7.72 4.77 -0.90 -4.83 117.00 122.30 1of6 n LEU 168 Ca 0.06 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1of6 n LEU 168 Cb 0.34 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.83 1of6 n LEU 168 CO 0.33 0.00 1.00 0.00 -1.33 0.00 0.00 177.39 177.38 1of6 h ALA 169 N 0.00 1.58 -0.04 -1.18 0.00 -1.15 -1.86 119.26 116.61 1of6 h ALA 169 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1of6 h ALA 169 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1of6 h ALA 169 CO 0.00 0.32 0.31 0.38 0.00 0.00 0.00 179.25 180.26 1of6 h ASP 170 N 0.37 0.00 0.00 0.00 2.03 -1.92 -3.00 116.42 113.90 1of6 h ASP 170 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1of6 h ASP 170 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1of6 h ASP 170 CO 0.00 0.00 -0.61 0.18 -1.03 0.00 0.00 179.24 177.78 1of6 n LEU 171 N -2.99 0.57 -4.77 0.15 4.77 -0.70 -4.81 117.00 109.22 1of6 n LEU 171 Ca -0.01 -0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 55.11 1of6 n LEU 171 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1of6 n LEU 171 CO 0.15 0.14 -0.01 -0.69 -1.33 0.00 0.00 177.39 175.66 1of6 s VAL 172 N -2.19 5.28 -0.41 4.08 1.01 -1.13 -4.50 120.40 122.52 1of6 s VAL 172 Ca 0.04 0.57 0.12 0.00 0.00 0.00 0.00 61.98 62.71 1of6 s VAL 172 Cb 0.09 -3.62 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 1of6 s VAL 172 CO 0.51 0.46 0.44 -1.20 0.00 0.00 0.00 175.10 175.31 1of6 n SER 173 N 3.00 1.00 -3.75 3.32 7.64 -0.28 -4.87 113.62 119.69 1of6 n SER 173 Ca -0.13 -0.57 -0.13 0.00 1.01 0.00 0.00 58.87 59.05 1of6 n SER 173 Cb 0.52 1.15 -0.13 0.00 -1.01 0.00 0.00 64.21 64.75 1of6 n SER 173 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1of6 s PHE 174 N -2.32 -0.29 -0.04 1.43 5.36 -1.10 -4.30 117.98 116.73 1of6 s PHE 174 Ca 0.02 0.70 0.04 0.00 -0.96 0.00 0.00 56.93 56.73 1of6 s PHE 174 Cb 0.09 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.78 1of6 s PHE 174 CO 0.49 -0.20 -0.15 0.20 -1.46 0.00 0.00 175.22 174.10 1of6 s GLY 175 N 0.97 1.52 0.02 13.12 0.00 -0.57 -1.22 107.32 121.15 1of6 s GLY 175 Ca -0.07 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.71 1of6 s GLY 175 CO -0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 173.10 172.08 1of6 s ALA 176 N -0.74 2.65 -0.23 3.20 0.00 -0.43 -1.66 121.76 124.54 1of6 s ALA 176 Ca 0.12 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 1of6 s ALA 176 Cb -0.11 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1of6 s ALA 176 CO 0.01 0.57 -0.07 0.42 0.00 0.00 0.00 175.76 176.69 1of6 s ILE 177 N -0.89 2.90 0.97 0.00 -1.09 0.13 -0.69 121.20 122.53 1of6 s ILE 177 Ca 0.14 -0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 57.53 1of6 s ILE 177 Cb -0.11 -2.41 0.18 0.00 -1.58 0.00 0.00 42.46 38.55 1of6 s ILE 177 CO 0.05 0.30 1.22 -0.83 -1.23 0.00 0.00 174.94 174.44 1of6 s GLY 178 N 1.36 1.66 0.38 6.18 0.00 -1.26 -1.29 107.32 114.35 1of6 s GLY 178 Ca 0.02 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.91 1of6 s GLY 178 CO -0.05 -0.21 1.93 0.00 0.00 0.00 0.00 173.10 174.77 1of6 h ALA 179 N -1.68 1.50 0.00 3.20 0.00 -1.80 -0.50 119.26 119.98 1of6 h ALA 179 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1of6 h ALA 179 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1of6 h ALA 179 CO 0.48 0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.63 1of6 n ARG 180 N -4.32 0.20 0.00 0.00 1.74 -1.26 -3.70 116.66 109.32 1of6 n ARG 180 Ca 0.01 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 1of6 n ARG 180 Cb 0.22 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1of6 n ARG 180 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1of6 n THR 181 N -2.18 0.00 -0.10 0.55 -2.24 -0.34 -4.70 114.28 105.28 1of6 n THR 181 Ca 0.03 -0.48 0.20 0.00 -2.27 0.00 0.00 64.05 61.53 1of6 n THR 181 Cb 0.30 1.04 0.62 0.00 -2.10 0.00 0.00 70.33 70.19 1of6 n THR 181 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1of6 h THR 182 N 0.04 0.72 0.00 4.28 2.02 -1.24 0.61 112.91 119.34 1of6 h THR 182 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1of6 h THR 182 Cb 0.02 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1of6 h THR 182 CO 0.00 0.03 -0.21 -0.33 0.37 0.00 0.00 175.52 175.38 1of6 h GLU 183 N 0.17 0.00 -6.23 6.66 5.08 -1.84 -3.44 114.58 114.98 1of6 h GLU 183 Ca 0.33 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.14 1of6 h GLU 183 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1of6 h GLU 183 CO -0.05 0.00 0.94 0.45 -1.00 0.00 0.00 179.01 179.35 1of6 s SER 184 N -4.73 6.84 0.23 1.42 0.15 0.20 -4.92 113.70 112.89 1of6 s SER 184 Ca 0.08 1.95 -0.07 0.00 0.70 0.00 0.00 55.95 58.61 1of6 s SER 184 Cb 0.11 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 62.25 1of6 s SER 184 CO 0.65 -0.80 1.73 -0.61 1.20 0.00 0.00 173.24 175.41 1of6 h GLN 185 N 8.54 0.40 -0.67 5.44 5.75 -1.89 -2.18 115.11 130.51 1of6 h GLN 185 Ca -0.33 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.16 1of6 h GLN 185 Cb 1.14 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1of6 h GLN 185 CO 0.95 0.27 0.44 1.25 -2.65 0.00 0.00 178.83 179.09 1of6 h LEU 186 N 0.41 0.75 -0.05 -2.39 5.85 -1.94 -0.37 115.31 117.57 1of6 h LEU 186 Ca 0.36 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.85 1of6 h LEU 186 Cb 0.51 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1of6 h LEU 186 CO -0.37 0.54 -1.02 0.45 -0.34 0.00 0.00 178.44 177.69 1of6 h HIS 187 N 0.88 0.18 -0.21 1.25 3.86 -1.76 -0.78 115.15 118.57 1of6 h HIS 187 Ca 0.25 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1of6 h HIS 187 Cb -0.07 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1of6 h HIS 187 CO -0.00 1.05 -0.02 0.00 0.86 0.00 0.00 177.93 179.82 1of6 h ARG 188 N 0.04 0.39 -0.77 2.45 3.08 -0.74 -1.67 114.38 117.16 1of6 h ARG 188 Ca -0.05 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.90 1of6 h ARG 188 Cb 1.75 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.72 1of6 h ARG 188 CO 0.15 0.61 0.49 0.93 -1.07 0.00 0.00 179.97 181.07 1of6 h GLU 189 N 0.14 0.92 -0.05 0.04 5.08 -1.03 -2.27 114.58 117.41 1of6 h GLU 189 Ca 0.06 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1of6 h GLU 189 Cb 0.44 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1of6 h GLU 189 CO 0.02 0.61 -0.07 1.25 -1.00 0.00 0.00 179.01 179.82 1of6 h LEU 190 N 0.95 -0.20 -1.37 1.33 5.85 -1.04 -2.71 115.31 118.12 1of6 h LEU 190 Ca 0.31 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1of6 h LEU 190 Cb 0.01 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1of6 h LEU 190 CO -0.11 -0.09 0.49 0.00 -0.34 0.00 0.00 178.44 178.39 1of6 h ALA 191 N 0.95 1.73 0.00 1.25 0.00 -1.01 -0.85 119.26 121.32 1of6 h ALA 191 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1of6 h ALA 191 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1of6 h ALA 191 CO -0.11 0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1of6 h SER 192 N 0.74 0.00 -0.48 0.00 4.64 -1.08 -2.86 113.55 114.51 1of6 h SER 192 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1of6 h SER 192 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1of6 h SER 192 CO -0.12 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.45 1of6 n GLY 193 N -0.65 2.79 3.89 -0.77 0.00 -0.33 -1.94 105.19 108.18 1of6 n GLY 193 Ca -0.02 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1of6 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1of6 s LEU 194 N -1.22 4.28 -0.01 0.99 1.43 -1.08 -4.97 118.68 118.10 1of6 s LEU 194 Ca 0.35 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1of6 s LEU 194 Cb 0.20 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 43.25 1of6 s LEU 194 CO 0.21 0.08 0.94 -1.20 0.23 0.00 0.00 176.35 176.61 1of6 n SER 195 N 0.28 0.71 -3.89 2.29 7.64 -1.26 -4.85 113.62 114.54 1of6 n SER 195 Ca -0.04 -2.03 -0.09 0.00 1.01 0.00 0.00 58.87 57.72 1of6 n SER 195 Cb 0.52 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 1of6 n SER 195 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1of6 s PHE 196 N -1.70 0.24 0.52 1.43 -0.12 -1.26 -5.07 117.98 112.01 1of6 s PHE 196 Ca 0.05 -0.60 -0.23 0.00 -0.05 0.00 0.00 56.93 56.11 1of6 s PHE 196 Cb 0.03 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.41 1of6 s PHE 196 CO 0.03 -0.74 1.35 -2.30 -0.05 0.00 0.00 175.22 173.51 1of6 n PRO 197 N -0.22 1.81 -3.90 1.99 -0.02 -1.26 -4.85 135.00 128.54 1of6 n PRO 197 Ca -0.09 0.66 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 1of6 n PRO 197 Cb 0.63 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 1of6 n PRO 197 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1of6 s VAL 198 N -1.27 0.42 -0.24 -1.45 1.01 -0.79 -1.51 120.40 116.58 1of6 s VAL 198 Ca 0.68 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1of6 s VAL 198 Cb -0.43 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1of6 s VAL 198 CO 0.52 0.24 0.16 -0.83 0.00 0.00 0.00 175.10 175.19 1of6 s GLY 199 N 1.58 1.99 -0.24 4.51 0.00 -0.67 -1.29 107.32 113.20 1of6 s GLY 199 Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 1of6 s GLY 199 CO -0.03 0.37 0.38 -1.36 0.00 0.00 0.00 173.10 172.46 1of6 s PHE 200 N 0.99 3.30 0.50 1.90 0.08 -0.07 -0.69 117.98 123.99 1of6 s PHE 200 Ca 0.08 0.50 -0.21 0.00 0.12 0.00 0.00 56.93 57.41 1of6 s PHE 200 Cb -0.13 -2.55 -0.07 0.00 -0.57 0.00 0.00 43.02 39.70 1of6 s PHE 200 CO 0.04 -0.14 1.14 0.15 -0.10 0.00 0.00 175.22 176.31 1of6 s LYS 201 N 1.76 3.58 0.69 0.44 1.02 -0.41 -1.16 119.74 125.65 1of6 s LYS 201 Ca 0.17 1.68 -0.14 0.00 0.02 0.00 0.00 55.97 57.69 1of6 s LYS 201 Cb -0.15 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1of6 s LYS 201 CO 0.09 -0.68 1.13 0.54 -0.92 0.00 0.00 175.35 175.50 1of6 s ASN 202 N -1.58 4.80 1.02 2.83 4.22 -0.79 -4.53 114.94 120.91 1of6 s ASN 202 Ca 0.68 2.05 -0.12 0.00 -2.14 0.00 0.00 52.86 53.33 1of6 s ASN 202 Cb -0.26 -2.55 0.20 0.00 1.28 0.00 0.00 41.25 39.92 1of6 s ASN 202 CO 0.30 -1.84 1.07 -0.83 -2.04 0.00 0.00 177.10 173.77 1of6 s GLY 203 N -2.58 1.58 0.50 0.45 0.00 -0.98 -4.47 107.32 101.82 1of6 s GLY 203 Ca 0.68 -0.10 0.29 0.00 0.00 0.00 0.00 44.72 45.59 1of6 s GLY 203 CO 0.44 0.50 1.91 -0.91 0.00 0.00 0.00 173.10 175.04 1of6 h THR 204 N -2.07 0.23 0.00 0.90 1.35 -1.88 -0.54 112.91 110.90 1of6 h THR 204 Ca -0.55 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1of6 h THR 204 Cb 1.31 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1of6 h THR 204 CO 0.52 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 1of6 n ASP 205 N -3.22 0.00 0.00 5.36 5.68 -1.26 -2.01 116.55 121.10 1of6 n ASP 205 Ca 0.01 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1of6 n ASP 205 Cb 0.36 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1of6 n ASP 205 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1of6 n GLY 206 N 0.89 0.47 3.98 6.12 0.00 -0.21 -2.14 105.19 114.29 1of6 n GLY 206 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1of6 n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of6 s THR 207 N -2.16 4.54 -0.05 2.61 -4.23 -1.26 -4.85 115.64 110.24 1of6 s THR 207 Ca 0.00 -0.89 0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1of6 s THR 207 Cb 0.00 -3.60 -0.19 0.00 1.34 0.00 0.00 72.50 70.05 1of6 s THR 207 CO 0.00 -0.27 0.22 -0.11 -0.54 0.00 0.00 174.62 173.92 1of6 n LEU 208 N -1.63 0.00 0.27 4.79 7.94 -1.26 -2.32 117.00 124.78 1of6 n LEU 208 Ca -0.03 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.99 1of6 n LEU 208 Cb 0.57 0.09 0.74 0.00 0.53 0.00 0.00 43.42 45.35 1of6 n LEU 208 CO 0.44 0.09 0.99 -0.55 -1.11 0.00 0.00 177.39 177.25 1of6 h ASN 209 N 0.00 0.00 -0.45 1.96 7.08 -1.98 -1.48 115.58 120.72 1of6 h ASN 209 Ca -0.10 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.07 1of6 h ASN 209 Cb 0.95 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.16 1of6 h ASN 209 CO 0.01 0.11 0.11 -0.37 -2.08 0.00 0.00 177.43 175.20 1of6 h VAL 210 N 0.00 1.22 -0.13 6.14 -1.51 -1.96 0.55 116.25 120.56 1of6 h VAL 210 Ca -0.00 -0.80 -0.22 0.00 -1.23 0.00 0.00 66.70 64.45 1of6 h VAL 210 Cb 0.28 0.71 0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1of6 h VAL 210 CO 0.01 0.30 -0.79 0.00 -1.23 0.00 0.00 177.57 175.86 1of6 h ALA 211 N 1.37 0.36 -0.50 5.19 0.00 -1.53 -0.99 119.26 123.16 1of6 h ALA 211 Ca 0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1of6 h ALA 211 Cb 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1of6 h ALA 211 CO -0.00 0.70 0.19 0.28 0.00 0.00 0.00 179.25 180.43 1of6 h VAL 212 N 0.47 1.22 -0.54 0.00 2.07 -1.33 -1.19 116.25 116.96 1of6 h VAL 212 Ca -0.05 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1of6 h VAL 212 Cb 1.41 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1of6 h VAL 212 CO 0.16 0.26 0.25 0.44 0.02 0.00 0.00 177.57 178.69 1of6 h ASP 213 N 0.68 0.68 -0.23 0.57 3.32 -0.83 -2.29 116.42 118.32 1of6 h ASP 213 Ca 0.17 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1of6 h ASP 213 Cb 0.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1of6 h ASP 213 CO -0.01 0.59 0.11 0.00 -1.72 0.00 0.00 179.24 178.20 1of6 h ALA 214 N 1.52 0.30 -0.72 3.45 0.00 -0.90 -1.89 119.26 121.01 1of6 h ALA 214 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1of6 h ALA 214 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1of6 h ALA 214 CO -0.02 -0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.40 1of6 h GLN 216 N 1.04 0.62 -0.58 0.00 1.08 -1.20 -3.00 115.11 113.07 1of6 h GLN 216 Ca 0.25 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1of6 h GLN 216 Cb 0.16 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1of6 h GLN 216 CO -0.03 0.78 0.27 0.00 -0.95 0.00 0.00 178.83 178.90 1of6 h ALA 217 N 0.81 0.75 0.00 3.87 0.00 -1.09 -3.00 119.26 120.60 1of6 h ALA 217 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1of6 h ALA 217 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1of6 h ALA 217 CO 0.03 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1of6 h ALA 218 N 1.10 1.00 0.00 0.00 0.00 -0.93 -2.07 119.26 118.37 1of6 h ALA 218 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1of6 h ALA 218 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1of6 h ALA 218 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1of6 h ALA 219 N 2.17 1.00 -1.65 0.00 0.00 -1.39 0.48 119.26 119.88 1of6 h ALA 219 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 1of6 h ALA 219 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1of6 h ALA 219 CO 0.00 0.00 -0.32 -1.01 0.00 0.00 0.00 179.25 177.92 1of6 s HIS 220 N -3.31 2.97 0.21 0.00 3.76 -0.78 -3.46 115.29 114.68 1of6 s HIS 220 Ca 0.06 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.37 1of6 s HIS 220 Cb 0.09 -2.14 -0.08 0.00 1.11 0.00 0.00 32.58 31.56 1of6 s HIS 220 CO 0.53 -0.16 1.12 0.45 -0.85 0.00 0.00 174.74 175.82 1of6 s SER 221 N -4.23 7.23 0.19 1.40 0.15 -1.26 -3.47 113.70 113.72 1of6 s SER 221 Ca 0.49 2.17 -0.01 0.00 0.70 0.00 0.00 55.95 59.30 1of6 s SER 221 Cb -0.09 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1of6 s SER 221 CO 0.31 -0.22 0.11 -1.00 1.20 0.00 0.00 173.24 173.64 1of6 s HIS 222 N -0.48 1.14 -0.20 3.44 3.76 -1.25 -4.94 115.29 116.77 1of6 s HIS 222 Ca 0.49 -1.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.08 1of6 s HIS 222 Cb -0.31 -0.58 0.03 0.00 1.11 0.00 0.00 32.58 32.84 1of6 s HIS 222 CO 0.37 -0.58 -0.16 -1.01 -0.85 0.00 0.00 174.74 172.51 1of6 s HIS 223 N -4.09 2.73 0.40 1.40 3.76 -1.26 -0.74 115.29 117.49 1of6 s HIS 223 Ca 0.36 -1.72 0.06 0.00 -0.15 0.00 0.00 55.06 53.61 1of6 s HIS 223 Cb 0.07 -1.83 -0.07 0.00 1.11 0.00 0.00 32.58 31.86 1of6 s HIS 223 CO 0.10 -0.79 0.02 -0.59 -0.85 0.00 0.00 174.74 172.63 1of6 s PHE 224 N 1.30 2.39 -0.62 1.40 -0.71 -0.48 -4.94 117.98 116.32 1of6 s PHE 224 Ca 0.01 -0.74 -0.17 0.00 -1.04 0.00 0.00 56.93 54.99 1of6 s PHE 224 Cb -0.15 -1.67 0.13 0.00 -1.21 0.00 0.00 43.02 40.12 1of6 s PHE 224 CO -0.10 0.35 0.66 -1.64 -1.34 0.00 0.00 175.22 173.15 1of6 s MET 225 N -3.75 3.12 0.00 1.99 -1.94 -1.26 -0.16 119.30 117.30 1of6 s MET 225 Ca 0.34 -1.63 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1of6 s MET 225 Cb 0.09 -4.33 0.00 0.00 2.01 0.00 0.00 34.83 32.60 1of6 s MET 225 CO 0.17 -1.45 0.00 0.41 -0.01 0.00 0.00 175.02 174.14 1of6 n GLY 226 N 5.12 5.38 3.24 -0.03 0.00 -0.74 -4.89 105.19 113.26 1of6 n GLY 226 Ca -0.07 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 1of6 n GLY 226 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1of6 s VAL 227 N 1.31 1.43 0.84 1.61 -7.23 -1.26 -1.59 120.40 115.51 1of6 s VAL 227 Ca 0.00 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 1of6 s VAL 227 Cb 0.00 -1.43 0.10 0.00 0.56 0.00 0.00 36.38 35.61 1of6 s VAL 227 CO 0.00 -0.24 1.17 0.42 -0.31 0.00 0.00 175.10 176.14 1of6 s THR 228 N -1.58 2.00 0.54 5.32 -4.23 -0.51 -4.90 115.64 112.28 1of6 s THR 228 Ca 0.06 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.89 1of6 s THR 228 Cb -0.08 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.18 1of6 s THR 228 CO 0.04 0.00 2.22 0.11 -0.54 0.00 0.00 174.62 176.45 1of6 h LYS 229 N -1.19 0.00 -0.54 3.99 1.79 -1.96 -1.25 116.57 117.41 1of6 h LYS 229 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1of6 h LYS 229 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1of6 h LYS 229 CO 0.64 0.03 0.00 0.72 -1.08 0.00 0.00 179.45 179.76 1of6 n HIS 230 N -3.59 0.69 -0.87 -1.35 8.25 -1.26 -0.67 115.22 116.41 1of6 n HIS 230 Ca -0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1of6 n HIS 230 Cb 0.13 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1of6 n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1of6 n GLY 231 N 0.73 0.50 3.61 -1.41 0.00 -0.47 -4.85 105.19 103.30 1of6 n GLY 231 Ca 0.12 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1of6 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1of6 s VAL 232 N -2.00 4.02 0.45 1.61 1.01 -1.26 -4.84 120.40 119.40 1of6 s VAL 232 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 1of6 s VAL 232 Cb 0.00 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 1of6 s VAL 232 CO 0.00 0.57 1.39 0.00 0.00 0.00 0.00 175.10 177.06 1of6 s ALA 233 N -0.54 3.19 0.18 5.51 0.00 -1.26 -1.42 121.76 127.42 1of6 s ALA 233 Ca 0.09 1.39 -0.22 0.00 0.00 0.00 0.00 51.96 53.22 1of6 s ALA 233 Cb -0.12 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.49 1of6 s ALA 233 CO 0.02 -1.13 0.60 0.00 0.00 0.00 0.00 175.76 175.25 1of6 s ALA 234 N -1.23 -1.43 -0.35 0.00 0.00 -0.62 -4.87 121.76 113.25 1of6 s ALA 234 Ca 0.61 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 1of6 s ALA 234 Cb -0.42 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1of6 s ALA 234 CO 0.53 -0.81 0.90 0.42 0.00 0.00 0.00 175.76 176.81 1of6 s ILE 235 N -3.79 4.63 -0.30 0.00 1.01 -1.26 -1.80 121.20 119.68 1of6 s ILE 235 Ca 0.04 1.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.80 1of6 s ILE 235 Cb -0.02 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1of6 s ILE 235 CO -0.09 -0.48 0.14 -0.89 0.00 0.00 0.00 174.94 173.63 1of6 s THR 236 N 3.37 4.55 -0.11 2.92 2.01 0.78 -4.97 115.64 124.18 1of6 s THR 236 Ca 0.37 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 1of6 s THR 236 Cb -0.12 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1of6 s THR 236 CO 0.17 0.10 0.32 -0.89 -0.69 0.00 0.00 174.62 173.63 1of6 s THR 237 N 1.61 5.25 0.33 -0.82 2.01 -1.26 -1.38 115.64 121.38 1of6 s THR 237 Ca 0.05 0.62 0.09 0.00 0.31 0.00 0.00 61.69 62.75 1of6 s THR 237 Cb -0.17 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1of6 s THR 237 CO 0.06 0.46 0.10 0.42 -0.69 0.00 0.00 174.62 174.97 1of6 s THR 238 N -0.12 2.94 -0.23 -0.82 -4.23 0.08 -4.98 115.64 108.29 1of6 s THR 238 Ca 0.19 -1.79 0.22 0.00 -1.18 0.00 0.00 61.69 59.13 1of6 s THR 238 Cb -0.14 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1of6 s THR 238 CO 0.07 -0.20 1.05 0.50 -0.54 0.00 0.00 174.62 175.50 1of6 h LYS 239 N 1.64 0.00 0.00 3.99 3.64 -1.87 -3.33 116.57 120.64 1of6 h LYS 239 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1of6 h LYS 239 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1of6 h LYS 239 CO 0.64 0.03 0.00 0.41 -2.27 0.00 0.00 179.45 178.26 1of6 n GLY 240 N 1.20 -0.83 2.89 5.01 0.00 -0.82 -4.28 105.19 108.36 1of6 n GLY 240 Ca -0.01 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1of6 n GLY 240 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1of6 s ASN 241 N -1.97 4.07 0.00 1.61 3.84 0.17 -4.86 114.94 117.80 1of6 s ASN 241 Ca 0.00 -1.52 0.32 0.00 0.21 0.00 0.00 52.86 51.87 1of6 s ASN 241 Cb 0.00 -1.16 1.81 0.00 -0.55 0.00 0.00 41.25 41.35 1of6 s ASN 241 CO 0.00 -0.32 2.18 -1.84 -2.79 0.00 0.00 177.10 174.33 1of6 n GLU 242 N 4.65 0.92 -1.84 0.43 0.00 -1.26 -3.79 120.64 119.75 1of6 n GLU 242 Ca -0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 57.16 56.79 1of6 n GLU 242 Cb 0.43 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.41 1of6 n GLU 242 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1of6 n HIS 243 N -1.01 2.99 -3.97 -1.84 8.25 -1.26 -4.93 115.22 113.44 1of6 n HIS 243 Ca 0.22 -2.58 -0.33 0.00 -0.26 0.00 0.00 57.72 54.77 1of6 n HIS 243 Cb 0.14 -0.73 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 1of6 n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1of6 s PHE 245 N -1.28 0.64 -0.00 0.00 -0.71 -0.41 -4.59 117.98 111.63 1of6 s PHE 245 Ca 0.26 -0.98 -0.11 0.00 -1.04 0.00 0.00 56.93 55.05 1of6 s PHE 245 Cb -0.12 -0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 1of6 s PHE 245 CO 0.17 -0.69 0.35 0.08 -1.34 0.00 0.00 175.22 173.78 1of6 s VAL 246 N -4.03 5.15 -0.11 -2.49 1.01 -1.26 -0.89 120.40 117.79 1of6 s VAL 246 Ca 0.23 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1of6 s VAL 246 Cb 0.04 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1of6 s VAL 246 CO 0.04 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.77 1of6 s ILE 247 N -1.17 2.02 -0.23 2.22 1.01 -0.31 -1.64 121.20 123.10 1of6 s ILE 247 Ca 0.25 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1of6 s ILE 247 Cb -0.15 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1of6 s ILE 247 CO 0.13 0.55 0.23 -0.76 0.00 0.00 0.00 174.94 175.09 1of6 s LEU 248 N 0.45 4.11 -0.00 2.97 1.43 0.73 -1.89 118.68 126.49 1of6 s LEU 248 Ca -0.16 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1of6 s LEU 248 Cb -0.17 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1of6 s LEU 248 CO 0.06 0.01 0.80 -2.11 0.23 0.00 0.00 176.35 175.34 1of6 n ARG 249 N 4.44 0.04 0.00 1.70 -4.01 -1.26 -0.65 116.66 116.92 1of6 n ARG 249 Ca -0.13 -0.81 0.00 0.00 -1.04 0.00 0.00 57.85 55.87 1of6 n ARG 249 Cb 0.52 -0.51 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1of6 n ARG 249 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1of6 n GLY 250 N -0.02 -0.03 0.00 2.89 0.00 -1.26 -1.74 105.19 105.02 1of6 n GLY 250 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1of6 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1of6 n GLY 251 N 0.00 0.99 0.16 -0.02 0.00 -1.21 -4.19 105.19 100.92 1of6 n GLY 251 Ca 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.14 1of6 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1of6 h LYS 252 N 3.80 0.00 0.00 1.61 1.57 -1.44 -1.43 116.57 120.68 1of6 h LYS 252 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1of6 h LYS 252 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1of6 h LYS 252 CO 0.00 0.52 0.00 1.63 -0.57 0.00 0.00 179.45 181.03 1of6 n LYS 253 N -3.74 0.08 0.00 3.15 4.76 -0.91 -4.99 118.16 116.52 1of6 n LYS 253 Ca -0.01 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1of6 n LYS 253 Cb 0.56 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1of6 n LYS 253 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1of6 n GLY 254 N 0.12 0.78 3.72 0.72 0.00 -0.54 -5.04 105.19 104.95 1of6 n GLY 254 Ca 0.05 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 1of6 n GLY 254 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of6 s THR 255 N -1.03 2.44 -0.23 2.61 -4.23 -1.26 -3.29 115.64 110.64 1of6 s THR 255 Ca 0.00 0.18 0.20 0.00 -1.18 0.00 0.00 61.69 60.90 1of6 s THR 255 Cb 0.00 -2.59 0.46 0.00 1.34 0.00 0.00 72.50 71.71 1of6 s THR 255 CO 0.00 -0.14 1.21 -0.46 -0.54 0.00 0.00 174.62 174.68 1of6 n ASN 256 N -3.20 0.76 -0.65 3.99 0.23 -1.26 -4.88 115.26 110.24 1of6 n ASN 256 Ca 0.12 -2.06 0.08 0.00 -0.53 0.00 0.00 54.58 52.19 1of6 n ASN 256 Cb 0.51 -0.18 0.07 0.00 -2.08 0.00 0.00 39.78 38.10 1of6 n ASN 256 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1of6 n TYR 257 N -0.64 0.01 -2.55 -2.53 0.18 -1.26 -4.48 117.16 105.88 1of6 n TYR 257 Ca 0.00 -0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.55 1of6 n TYR 257 Cb 0.86 -0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.86 1of6 n TYR 257 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1of6 s ASP 258 N -1.34 5.20 0.41 9.48 -4.77 -1.26 -4.65 116.67 119.74 1of6 s ASP 258 Ca 0.19 0.12 0.11 0.00 -3.30 0.00 0.00 52.55 49.67 1of6 s ASP 258 Cb 0.14 -0.97 0.87 0.00 -1.09 0.00 0.00 42.92 41.86 1of6 s ASP 258 CO 0.20 -1.22 1.96 0.00 0.70 0.00 0.00 175.17 176.81 1of6 h ALA 259 N -0.07 1.59 0.03 2.11 0.00 -1.96 0.19 119.26 121.15 1of6 h ALA 259 Ca -0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1of6 h ALA 259 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1of6 h ALA 259 CO 0.54 0.30 -0.01 -0.22 0.00 0.00 0.00 179.25 179.86 1of6 h LYS 260 N 0.18 -0.04 -0.86 0.00 3.64 -1.98 -2.31 116.57 115.20 1of6 h LYS 260 Ca 0.04 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1of6 h LYS 260 Cb 0.31 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1of6 h LYS 260 CO 0.02 0.39 0.52 0.77 -2.27 0.00 0.00 179.45 178.88 1of6 h SER 261 N -0.47 0.79 -0.35 4.20 0.02 -1.75 -1.31 113.55 114.68 1of6 h SER 261 Ca -0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1of6 h SER 261 Cb 0.44 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1of6 h SER 261 CO 0.01 0.48 0.05 0.58 -1.14 0.00 0.00 176.83 176.80 1of6 h VAL 262 N 0.91 1.24 -0.67 2.27 2.07 -0.92 -1.17 116.25 119.98 1of6 h VAL 262 Ca 0.40 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1of6 h VAL 262 Cb 0.27 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1of6 h VAL 262 CO -0.21 0.29 0.41 0.00 0.02 0.00 0.00 177.57 178.08 1of6 h ALA 263 N 0.89 0.86 -0.62 1.67 0.00 -1.17 0.22 119.26 121.10 1of6 h ALA 263 Ca 0.11 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1of6 h ALA 263 Cb 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1of6 h ALA 263 CO 0.01 0.33 0.41 1.49 0.00 0.00 0.00 179.25 181.49 1of6 h GLU 264 N 0.91 0.60 -0.02 0.00 4.81 -1.16 -1.08 114.58 118.65 1of6 h GLU 264 Ca 0.24 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1of6 h GLU 264 Cb -0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1of6 h GLU 264 CO -0.05 0.40 -0.06 0.00 -0.73 0.00 0.00 179.01 178.57 1of6 h ALA 265 N 1.66 0.03 -0.38 2.92 0.00 -0.67 -3.17 119.26 119.65 1of6 h ALA 265 Ca 0.27 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1of6 h ALA 265 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1of6 h ALA 265 CO -0.08 -0.11 0.28 0.87 0.00 0.00 0.00 179.25 180.21 1of6 h LYS 266 N -0.52 0.00 0.00 0.00 1.57 -0.59 -1.85 116.57 115.18 1of6 h LYS 266 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1of6 h LYS 266 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1of6 h LYS 266 CO 0.01 0.00 -0.25 0.00 -0.57 0.00 0.00 179.45 178.64 1of6 h ALA 267 N 1.80 0.85 -0.00 3.86 0.00 -1.24 -3.17 119.26 121.36 1of6 h ALA 267 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1of6 h ALA 267 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1of6 h ALA 267 CO -0.00 0.27 -0.22 1.04 0.00 0.00 0.00 179.25 180.35 1of6 n GLN 268 N -3.14 0.20 -3.03 0.00 6.02 -0.70 -4.86 117.38 111.86 1of6 n GLN 268 Ca 0.03 -0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 1of6 n GLN 268 Cb 0.62 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.34 1of6 n GLN 268 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1of6 s LEU 269 N -2.85 4.32 0.70 1.08 1.43 -1.19 -5.05 118.68 117.13 1of6 s LEU 269 Ca 0.17 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 1of6 s LEU 269 Cb 0.19 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 43.32 1of6 s LEU 269 CO 0.58 -0.12 1.08 -2.84 0.23 0.00 0.00 176.35 175.28 1of6 s PRO 270 N 0.78 2.70 0.72 1.29 0.02 -1.26 -4.96 135.00 134.29 1of6 s PRO 270 Ca 0.38 1.18 -0.16 0.00 0.02 0.00 0.00 61.00 62.42 1of6 s PRO 270 Cb -0.18 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1of6 s PRO 270 CO 0.19 -1.30 1.13 0.00 -0.33 0.00 0.00 177.00 176.69 1of6 n ALA 271 N -2.93 0.27 -0.81 -1.55 0.00 -1.26 -1.93 120.51 112.31 1of6 n ALA 271 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1of6 n ALA 271 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1of6 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1of6 n GLY 272 N 0.91 0.31 3.53 0.00 0.00 -1.26 -5.00 105.19 103.68 1of6 n GLY 272 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1of6 n GLY 272 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1of6 n SER 273 N -0.24 -0.43 -4.89 1.61 7.64 -0.81 -5.03 113.62 111.47 1of6 n SER 273 Ca 0.00 0.66 -0.29 0.00 1.01 0.00 0.00 58.87 60.25 1of6 n SER 273 Cb 0.12 -1.29 0.04 0.00 -1.01 0.00 0.00 64.21 62.07 1of6 n SER 273 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1of6 s ASN 274 N -1.46 5.50 0.84 6.43 0.01 -1.26 -4.99 114.94 120.00 1of6 s ASN 274 Ca 0.70 1.02 -0.11 0.00 -0.71 0.00 0.00 52.86 53.75 1of6 s ASN 274 Cb -0.37 -1.87 0.10 0.00 0.41 0.00 0.00 41.25 39.52 1of6 s ASN 274 CO 0.54 -1.26 1.14 -0.83 -1.51 0.00 0.00 177.10 175.18 1of6 s GLY 275 N -4.34 1.80 0.37 0.66 0.00 0.16 -4.86 107.32 101.11 1of6 s GLY 275 Ca 0.57 0.54 -0.12 0.00 0.00 0.00 0.00 44.72 45.71 1of6 s GLY 275 CO 0.50 0.93 0.74 1.08 0.00 0.00 0.00 173.10 176.35 1of6 s LEU 276 N -6.12 3.92 -0.02 0.66 1.43 -0.15 -4.36 118.68 114.04 1of6 s LEU 276 Ca 0.66 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.98 1of6 s LEU 276 Cb -0.22 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1of6 s LEU 276 CO 0.55 -0.32 -0.23 -0.32 0.23 0.00 0.00 176.35 176.26 1of6 s MET 277 N -3.53 1.88 -0.20 1.70 -2.45 -0.65 -1.92 119.30 114.12 1of6 s MET 277 Ca 0.52 -0.81 -0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1of6 s MET 277 Cb -0.10 -1.79 0.00 0.00 1.25 0.00 0.00 34.83 34.19 1of6 s MET 277 CO 0.27 0.47 -0.11 0.42 1.05 0.00 0.00 175.02 177.12 1of6 s ILE 278 N -0.48 2.83 -0.39 10.11 1.01 -0.05 -0.19 121.20 134.04 1of6 s ILE 278 Ca 0.07 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1of6 s ILE 278 Cb -0.09 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1of6 s ILE 278 CO -0.00 0.47 1.10 -0.62 0.00 0.00 0.00 174.94 175.89 1of6 s ASP 279 N 1.40 6.80 0.57 3.58 -1.08 0.18 -1.28 116.67 126.84 1of6 s ASP 279 Ca 0.05 0.78 0.37 0.00 -0.52 0.00 0.00 52.55 53.24 1of6 s ASP 279 Cb -0.14 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.50 1of6 s ASP 279 CO -0.07 -1.05 2.10 1.88 0.52 0.00 0.00 175.17 178.55 1of6 h TYR 280 N 8.60 0.00 -2.27 -5.34 0.05 -1.26 -3.42 116.97 113.33 1of6 h TYR 280 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1of6 h TYR 280 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1of6 h TYR 280 CO 0.90 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 176.88 1of6 n SER 281 N -3.03 0.11 0.00 3.88 3.41 -1.26 -3.25 113.62 113.48 1of6 n SER 281 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1of6 n SER 281 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1of6 n SER 281 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1of6 n HIS 282 N 0.00 0.00 0.26 7.33 8.25 -1.26 -1.71 115.22 128.09 1of6 n HIS 282 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1of6 n HIS 282 Cb 0.00 0.00 0.64 0.00 1.12 0.00 0.00 29.99 31.75 1of6 n HIS 282 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1of6 h GLY 283 N 0.00 0.00 2.00 -1.41 0.00 -1.65 -2.96 103.07 99.05 1of6 h GLY 283 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1of6 h GLY 283 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1of6 n ASN 284 N -4.45 0.29 -0.59 0.19 3.02 -0.69 -2.63 115.26 110.39 1of6 n ASN 284 Ca -0.03 0.53 0.08 0.00 -0.03 0.00 0.00 54.58 55.13 1of6 n ASN 284 Cb 0.12 -0.61 0.06 0.00 -0.61 0.00 0.00 39.78 38.74 1of6 n ASN 284 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1of6 n SER 285 N -1.77 2.23 -3.31 6.41 3.41 -1.12 -4.84 113.62 114.61 1of6 n SER 285 Ca 0.06 -1.61 -0.13 0.00 -0.26 0.00 0.00 58.87 56.93 1of6 n SER 285 Cb 0.35 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1of6 n SER 285 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1of6 n ASN 286 N 0.79 -6.68 -0.98 4.04 5.15 -1.08 -2.65 115.26 113.85 1of6 n ASN 286 Ca 0.09 -0.54 -0.13 0.00 -0.60 0.00 0.00 54.58 53.40 1of6 n ASN 286 Cb 0.38 -4.53 -0.05 0.00 -0.53 0.00 0.00 39.78 35.04 1of6 n ASN 286 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1of6 n LYS 287 N -2.77 -1.59 -3.38 1.20 0.00 -1.26 -4.94 118.16 105.42 1of6 n LYS 287 Ca -0.07 0.94 -0.11 0.00 -0.00 0.00 0.00 58.31 59.07 1of6 n LYS 287 Cb 0.57 -5.33 -0.09 0.00 -0.00 0.00 0.00 35.03 30.18 1of6 n LYS 287 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1of6 s ASP 288 N -2.50 0.48 0.53 -5.58 2.15 -1.08 -5.03 116.67 105.63 1of6 s ASP 288 Ca 0.00 0.13 0.26 0.00 0.43 0.00 0.00 52.55 53.38 1of6 s ASP 288 Cb 0.00 0.96 1.41 0.00 -0.30 0.00 0.00 42.92 44.99 1of6 s ASP 288 CO 0.00 -0.30 1.98 2.19 -0.17 0.00 0.00 175.17 178.87 1of6 h PHE 289 N 8.21 0.00 0.00 -5.34 -0.00 -1.84 -0.78 116.94 117.19 1of6 h PHE 289 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.78 1of6 h PHE 289 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 1of6 h PHE 289 CO 0.13 0.00 0.00 0.54 -0.00 0.00 0.00 178.31 178.98 1of6 n ARG 290 N -4.34 0.13 0.05 6.09 1.74 -1.26 -1.48 116.66 117.58 1of6 n ARG 290 Ca 0.11 0.44 0.11 0.00 -0.77 0.00 0.00 57.85 57.73 1of6 n ARG 290 Cb 0.64 -1.78 0.45 0.00 -1.02 0.00 0.00 32.46 30.75 1of6 n ARG 290 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1of6 n ASN 291 N -2.02 0.28 -0.21 0.55 3.02 -0.30 -4.04 115.26 112.54 1of6 n ASN 291 Ca 0.01 0.55 -0.05 0.00 -0.03 0.00 0.00 54.58 55.06 1of6 n ASN 291 Cb 0.16 -0.62 0.11 0.00 -0.61 0.00 0.00 39.78 38.82 1of6 n ASN 291 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1of6 h GLN 292 N 0.00 1.03 0.00 3.52 4.20 -1.45 -2.01 115.11 120.40 1of6 h GLN 292 Ca 0.00 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1of6 h GLN 292 Cb 0.42 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1of6 h GLN 292 CO 0.00 0.89 -0.24 -1.35 -0.67 0.00 0.00 178.83 177.46 1of6 h PRO 293 N 0.99 0.00 -0.49 1.46 0.11 -1.80 -1.90 132.00 130.37 1of6 h PRO 293 Ca 0.22 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1of6 h PRO 293 Cb 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1of6 h PRO 293 CO -0.01 0.24 0.21 0.87 -0.21 0.00 0.00 178.00 179.10 1of6 h LYS 294 N 0.00 0.73 -0.72 1.05 1.57 -1.73 -1.79 116.57 115.69 1of6 h LYS 294 Ca -0.00 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1of6 h LYS 294 Cb 0.93 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1of6 h LYS 294 CO 0.03 0.64 0.21 0.28 -0.57 0.00 0.00 179.45 180.04 1of6 h VAL 295 N 0.65 1.26 -0.77 0.50 2.07 -1.22 -1.78 116.25 116.96 1of6 h VAL 295 Ca 0.17 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1of6 h VAL 295 Cb 0.18 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1of6 h VAL 295 CO -0.02 0.36 0.47 -1.13 0.02 0.00 0.00 177.57 177.27 1of6 h ASN 296 N 1.07 0.74 -0.21 0.57 -1.24 -1.15 -0.86 115.58 114.51 1of6 h ASN 296 Ca 0.23 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.25 1of6 h ASN 296 Cb 0.31 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 1of6 h ASN 296 CO -0.01 0.49 0.12 0.44 -1.29 0.00 0.00 177.43 177.18 1of6 h ASP 297 N 0.87 0.25 -0.06 1.15 3.32 -0.49 0.44 116.42 121.90 1of6 h ASP 297 Ca 0.33 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1of6 h ASP 297 Cb 0.12 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1of6 h ASP 297 CO -0.15 0.25 -0.11 0.58 -1.72 0.00 0.00 179.24 178.09 1of6 h VAL 298 N 0.24 1.20 0.10 -1.35 2.07 -1.17 -0.83 116.25 116.50 1of6 h VAL 298 Ca 0.07 -0.87 -0.32 0.00 0.82 0.00 0.00 66.70 66.41 1of6 h VAL 298 Cb 0.05 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1of6 h VAL 298 CO -0.01 0.28 -1.67 0.58 0.02 0.00 0.00 177.57 176.77 1of6 h VAL 299 N 0.34 0.98 -0.62 2.57 2.07 -0.83 -3.17 116.25 117.58 1of6 h VAL 299 Ca 0.07 -2.67 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 1of6 h VAL 299 Cb 0.41 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1of6 h VAL 299 CO 0.02 0.79 0.32 0.00 0.02 0.00 0.00 177.57 178.72 1of6 h GLU 301 N 0.85 0.51 -0.44 0.00 4.22 -1.23 0.73 114.58 119.22 1of6 h GLU 301 Ca 0.22 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.56 1of6 h GLU 301 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1of6 h GLU 301 CO -0.03 0.34 0.02 1.96 -2.18 0.00 0.00 179.01 179.12 1of6 h GLN 302 N 0.53 0.77 -0.51 1.92 4.20 -1.45 -1.87 115.11 118.70 1of6 h GLN 302 Ca 0.31 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1of6 h GLN 302 Cb 0.31 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1of6 h GLN 302 CO -0.25 0.82 -0.16 0.82 -0.67 0.00 0.00 178.83 179.39 1of6 h ILE 303 N 0.61 1.27 -0.16 2.54 2.04 -1.08 -1.93 117.51 120.80 1of6 h ILE 303 Ca 0.13 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1of6 h ILE 303 Cb 0.46 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1of6 h ILE 303 CO 0.02 0.46 -0.02 0.00 0.00 0.00 0.00 178.15 178.60 1of6 h ALA 304 N 0.94 1.67 -0.20 1.87 0.00 -0.22 -2.71 119.26 120.61 1of6 h ALA 304 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1of6 h ALA 304 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1of6 h ALA 304 CO 0.06 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.64 1of6 n ASN 305 N -4.38 1.25 0.00 0.00 3.02 -0.76 -4.16 115.26 110.23 1of6 n ASN 305 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1of6 n ASN 305 Cb 0.18 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1of6 n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1of6 n GLY 306 N 0.94 0.89 3.56 7.41 0.00 -1.02 -5.04 105.19 111.93 1of6 n GLY 306 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1of6 n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1of6 s GLU 307 N -0.90 2.84 0.25 1.61 2.56 -0.76 -4.83 118.70 119.48 1of6 s GLU 307 Ca 0.00 0.56 0.24 0.00 0.00 0.00 0.00 54.97 55.76 1of6 s GLU 307 Cb 0.00 -4.31 0.29 0.00 2.00 0.00 0.00 34.13 32.11 1of6 s GLU 307 CO 0.00 -2.48 1.37 -0.91 -0.56 0.00 0.00 175.26 172.68 1of6 h ASN 308 N 13.67 0.00 0.55 -1.70 2.35 -1.91 -3.32 115.58 125.21 1of6 h ASN 308 Ca -0.27 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1of6 h ASN 308 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1of6 h ASN 308 CO 1.20 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 177.01 1of6 n ALA 309 N -2.01 2.16 -3.13 -0.83 0.00 -1.26 -4.46 120.51 110.99 1of6 n ALA 309 Ca 0.03 -0.10 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 1of6 n ALA 309 Cb 0.50 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1of6 n ALA 309 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1of6 s ILE 310 N -2.70 4.91 -1.66 0.00 1.01 -1.25 -0.97 121.20 120.54 1of6 s ILE 310 Ca 0.19 -1.23 0.19 0.00 0.00 0.00 0.00 60.65 59.81 1of6 s ILE 310 Cb 0.16 -4.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1of6 s ILE 310 CO 0.38 -1.14 0.96 0.35 0.00 0.00 0.00 174.94 175.48 1of6 n THR 311 N 5.36 0.00 -3.68 2.92 -2.24 -0.81 -4.94 114.28 110.89 1of6 n THR 311 Ca -0.04 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1of6 n THR 311 Cb 0.43 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.80 1of6 n THR 311 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1of6 s GLY 312 N -2.29 -0.22 0.06 3.38 0.00 -1.05 -0.38 107.32 106.81 1of6 s GLY 312 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.87 1of6 s GLY 312 CO 0.53 -0.21 0.03 -1.34 0.00 0.00 0.00 173.10 172.11 1of6 s VAL 313 N -3.19 0.20 -0.02 1.40 -7.23 0.11 -0.87 120.40 110.79 1of6 s VAL 313 Ca -0.01 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1of6 s VAL 313 Cb 0.01 -1.43 0.01 0.00 0.56 0.00 0.00 36.38 35.53 1of6 s VAL 313 CO -0.07 -0.89 -0.05 -0.32 -0.31 0.00 0.00 175.10 173.45 1of6 s MET 314 N -3.81 0.60 -0.04 4.82 -2.45 -0.40 -0.68 119.30 117.34 1of6 s MET 314 Ca 0.06 -0.14 0.01 0.00 -1.25 0.00 0.00 55.69 54.37 1of6 s MET 314 Cb 0.07 -0.61 0.02 0.00 1.25 0.00 0.00 34.83 35.55 1of6 s MET 314 CO -0.10 0.02 -0.04 0.42 1.05 0.00 0.00 175.02 176.37 1of6 s ILE 315 N 0.39 0.48 -0.55 10.11 1.01 -0.46 -0.79 121.20 131.39 1of6 s ILE 315 Ca -0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 1of6 s ILE 315 Cb -0.08 -0.50 0.09 0.00 0.01 0.00 0.00 42.46 41.98 1of6 s ILE 315 CO -0.00 0.20 0.64 -1.61 0.00 0.00 0.00 174.94 174.17 1of6 s GLU 316 N 0.78 3.06 0.07 2.79 2.02 -1.26 -2.12 118.70 124.04 1of6 s GLU 316 Ca -0.10 -1.21 0.06 0.00 0.02 0.00 0.00 54.97 53.74 1of6 s GLU 316 Cb -0.13 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.87 1of6 s GLU 316 CO -0.00 -1.39 -0.16 0.45 0.02 0.00 0.00 175.26 174.18 1of6 s SER 317 N 3.25 1.93 0.30 -0.19 0.15 -0.45 -1.76 113.70 116.93 1of6 s SER 317 Ca 0.11 -0.59 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 1of6 s SER 317 Cb -0.23 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1of6 s SER 317 CO 0.08 -0.00 0.50 0.21 1.20 0.00 0.00 173.24 175.22 1of6 s ASN 318 N -1.60 0.37 0.16 5.45 3.84 -0.21 -0.05 114.94 122.90 1of6 s ASN 318 Ca 0.02 -1.21 -0.21 0.00 0.21 0.00 0.00 52.86 51.66 1of6 s ASN 318 Cb -0.09 0.64 0.05 0.00 -0.55 0.00 0.00 41.25 41.30 1of6 s ASN 318 CO 0.02 -1.26 1.64 0.40 -2.79 0.00 0.00 177.10 175.12 1of6 h ILE 319 N 2.18 0.45 -3.05 -5.21 2.04 -1.85 -1.85 117.51 110.22 1of6 h ILE 319 Ca -0.28 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.08 1of6 h ILE 319 Cb 1.25 0.45 -0.16 0.00 -0.74 0.00 0.00 36.82 37.61 1of6 h ILE 319 CO 0.38 0.00 -0.76 0.20 0.00 0.00 0.00 178.15 177.97 1of6 s ASN 320 N -5.09 2.70 0.47 1.72 0.01 -0.90 -1.53 114.94 112.31 1of6 s ASN 320 Ca -0.14 -0.94 -0.03 0.00 -0.71 0.00 0.00 52.86 51.04 1of6 s ASN 320 Cb 0.13 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.61 1of6 s ASN 320 CO 0.69 -0.09 0.74 -1.83 -1.51 0.00 0.00 177.10 175.11 1of6 s GLU 321 N -3.19 3.31 1.18 -0.60 -1.05 -1.26 -4.49 118.70 112.59 1of6 s GLU 321 Ca 0.19 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 1of6 s GLU 321 Cb -0.04 -2.44 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 1of6 s GLU 321 CO 0.07 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.44 1of6 n GLY 322 N -2.20 -1.45 3.55 -3.83 0.00 -0.34 -4.90 105.19 96.01 1of6 n GLY 322 Ca 0.01 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1of6 n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of6 s ASN 323 N -4.00 0.66 0.07 1.61 4.22 -1.26 -2.15 114.94 114.09 1of6 s ASN 323 Ca 0.00 -1.37 -0.14 0.00 -2.14 0.00 0.00 52.86 49.21 1of6 s ASN 323 Cb 0.00 0.68 0.02 0.00 1.28 0.00 0.00 41.25 43.23 1of6 s ASN 323 CO 0.00 -1.34 0.32 0.00 -2.04 0.00 0.00 177.10 174.04 1of6 s GLN 324 N -3.06 0.89 0.73 3.55 -2.07 -0.31 -4.90 119.66 114.48 1of6 s GLN 324 Ca 0.27 -0.62 -0.10 0.00 -1.82 0.00 0.00 55.36 53.09 1of6 s GLN 324 Cb -0.01 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1of6 s GLN 324 CO 0.18 -0.30 1.08 0.20 -1.32 0.00 0.00 175.29 175.12 1of6 s GLY 325 N -2.38 1.63 -0.26 2.60 0.00 -1.26 -4.38 107.32 103.27 1of6 s GLY 325 Ca -0.01 -0.66 -0.22 0.00 0.00 0.00 0.00 44.72 43.83 1of6 s GLY 325 CO -0.07 -0.24 0.71 -0.42 0.00 0.00 0.00 173.10 173.08 1of6 s ILE 326 N -3.37 4.92 0.91 0.90 1.01 -1.26 -4.97 121.20 119.33 1of6 s ILE 326 Ca 0.60 1.26 -0.12 0.00 0.00 0.00 0.00 60.65 62.38 1of6 s ILE 326 Cb -0.11 -4.02 0.14 0.00 0.01 0.00 0.00 42.46 38.48 1of6 s ILE 326 CO 0.48 -0.04 1.10 -2.16 0.00 0.00 0.00 174.94 174.32 1of6 s PRO 327 N 2.66 1.15 0.07 2.79 0.05 -1.26 -4.84 135.00 135.63 1of6 s PRO 327 Ca 0.29 0.60 -0.18 0.00 0.05 0.00 0.00 61.00 61.77 1of6 s PRO 327 Cb -0.15 -1.81 -0.06 0.00 0.05 0.00 0.00 34.50 32.53 1of6 s PRO 327 CO 0.09 -2.26 1.30 0.00 0.05 0.00 0.00 177.00 176.18 1of6 h ALA 328 N -1.56 -0.54 -0.58 8.56 0.00 -2.01 0.41 119.26 123.55 1of6 h ALA 328 Ca -0.51 0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.58 1of6 h ALA 328 Cb 1.30 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 20.04 1of6 h ALA 328 CO 0.58 -0.70 0.41 0.39 0.00 0.00 0.00 179.25 179.93 1of6 n GLU 329 N -4.20 -0.00 0.00 0.00 1.02 -1.26 -4.94 120.64 111.26 1of6 n GLU 329 Ca -0.02 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1of6 n GLU 329 Cb 0.18 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1of6 n GLU 329 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1of6 n GLY 330 N -1.26 -1.84 0.23 0.62 0.00 0.13 -4.60 105.19 98.46 1of6 n GLY 330 Ca 0.14 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.88 1of6 n GLY 330 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1of6 n LYS 331 N -0.02 -0.05 0.23 1.61 0.00 -1.26 -2.11 118.16 116.55 1of6 n LYS 331 Ca 0.00 0.99 0.11 0.00 0.00 0.00 0.00 58.31 59.41 1of6 n LYS 331 Cb 0.00 -1.57 0.44 0.00 0.00 0.00 0.00 35.03 33.90 1of6 n LYS 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1of6 h ALA 332 N 1.32 0.98 -0.00 3.14 0.00 -1.95 -2.15 119.26 120.59 1of6 h ALA 332 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1of6 h ALA 332 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1of6 h ALA 332 CO -0.62 0.22 -0.00 0.41 0.00 0.00 0.00 179.25 179.26 1of6 n GLY 333 N 0.33 -0.90 3.80 0.00 0.00 -0.90 -4.96 105.19 102.56 1of6 n GLY 333 Ca 0.01 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1of6 n GLY 333 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1of6 s LEU 334 N -2.02 4.29 0.45 0.99 1.43 -0.81 -4.93 118.68 118.09 1of6 s LEU 334 Ca 0.46 1.68 -0.24 0.00 -1.03 0.00 0.00 54.13 55.01 1of6 s LEU 334 Cb 0.22 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 1of6 s LEU 334 CO 0.37 -0.07 1.19 -0.54 0.23 0.00 0.00 176.35 177.53 1of6 s LYS 335 N -2.16 3.79 0.37 1.70 1.02 -1.26 -5.00 119.74 118.20 1of6 s LYS 335 Ca 0.49 1.85 -0.25 0.00 0.02 0.00 0.00 55.97 58.08 1of6 s LYS 335 Cb -0.17 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 1of6 s LYS 335 CO 0.22 -0.54 1.02 -0.47 -0.92 0.00 0.00 175.35 174.65 1of6 s TYR 336 N -1.48 3.43 -1.56 3.18 5.04 -1.26 -3.77 117.35 120.93 1of6 s TYR 336 Ca 0.62 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.94 1of6 s TYR 336 Cb -0.31 -3.06 0.00 0.00 0.35 0.00 0.00 41.96 38.94 1of6 s TYR 336 CO 0.37 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.66 1of6 n GLY 337 N 0.43 0.11 3.27 8.97 0.00 -1.26 -4.79 105.19 111.92 1of6 n GLY 337 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1of6 n GLY 337 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1of6 s VAL 338 N -2.73 1.94 0.37 1.61 1.01 -1.25 -2.12 120.40 119.22 1of6 s VAL 338 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1of6 s VAL 338 Cb 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1of6 s VAL 338 CO 0.00 0.55 1.16 -0.55 0.00 0.00 0.00 175.10 176.25 1of6 s SER 339 N -0.45 6.74 -0.02 3.32 0.15 -1.26 -4.83 113.70 117.36 1of6 s SER 339 Ca 0.06 2.34 0.19 0.00 0.70 0.00 0.00 55.95 59.23 1of6 s SER 339 Cb -0.11 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.15 1of6 s SER 339 CO 0.00 -0.53 1.47 2.30 1.20 0.00 0.00 173.24 177.69 1of6 n ILE 340 N 0.39 1.15 0.00 6.45 -5.35 -1.26 -1.17 119.36 119.56 1of6 n ILE 340 Ca 0.03 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1of6 n ILE 340 Cb 0.46 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 1of6 n ILE 340 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1of6 n THR 341 N 1.21 0.00 -2.18 7.28 -2.24 -1.26 -4.74 114.28 112.34 1of6 n THR 341 Ca 0.21 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.64 1of6 n THR 341 Cb 0.61 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1of6 n THR 341 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1of6 s ASP 342 N 1.00 5.57 0.36 3.42 1.01 -1.26 -4.74 116.67 122.03 1of6 s ASP 342 Ca 0.00 2.22 -0.26 0.00 0.71 0.00 0.00 52.55 55.22 1of6 s ASP 342 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1of6 s ASP 342 CO 0.00 -1.32 1.10 0.00 0.21 0.00 0.00 175.17 175.16 1of6 s ALA 343 N -1.74 3.21 0.18 5.23 0.00 -1.26 -4.66 121.76 122.72 1of6 s ALA 343 Ca 0.74 0.85 0.10 0.00 0.00 0.00 0.00 51.96 53.64 1of6 s ALA 343 Cb -0.25 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1of6 s ALA 343 CO 0.29 -0.30 -0.20 0.00 0.00 0.00 0.00 175.76 175.55 1of6 s ILE 345 N -2.01 3.64 0.98 0.00 -4.36 -0.72 -1.20 121.20 117.53 1of6 s ILE 345 Ca 0.19 0.84 -0.16 0.00 -0.26 0.00 0.00 60.65 61.26 1of6 s ILE 345 Cb -0.06 -3.34 0.20 0.00 1.25 0.00 0.00 42.46 40.51 1of6 s ILE 345 CO 0.08 -0.40 1.26 -0.83 0.24 0.00 0.00 174.94 175.29 1of6 s GLY 346 N -2.51 1.71 0.14 6.27 0.00 -1.26 -1.04 107.32 110.62 1of6 s GLY 346 Ca 0.66 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 1of6 s GLY 346 CO 0.34 -0.30 1.52 -0.25 0.00 0.00 0.00 173.10 174.41 1of6 h TRP 347 N -1.73 1.00 -0.32 1.90 2.91 -0.39 -1.27 115.95 118.05 1of6 h TRP 347 Ca -0.45 -0.24 -0.08 0.00 1.13 0.00 0.00 58.89 59.25 1of6 h TRP 347 Cb 1.26 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 1of6 h TRP 347 CO -1.05 1.02 -0.09 0.93 -1.03 0.00 0.00 178.44 178.21 1of6 h GLU 348 N 0.69 0.63 -0.93 2.65 3.07 -1.88 -0.01 114.58 118.79 1of6 h GLU 348 Ca 0.10 -0.25 0.09 0.00 -0.50 0.00 0.00 59.36 58.79 1of6 h GLU 348 Cb 0.74 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.56 1of6 h GLU 348 CO 0.06 0.82 0.60 1.15 -1.40 0.00 0.00 179.01 180.24 1of6 h THR 349 N 0.40 1.01 -0.18 1.13 2.02 -1.90 -2.26 112.91 113.13 1of6 h THR 349 Ca 0.08 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 1of6 h THR 349 Cb 0.60 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1of6 h THR 349 CO 0.03 0.18 -0.14 0.74 0.37 0.00 0.00 175.52 176.71 1of6 h THR 350 N 0.99 1.32 -0.67 3.16 2.02 -0.43 -0.22 112.91 119.09 1of6 h THR 350 Ca 0.42 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1of6 h THR 350 Cb 0.32 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 1of6 h THR 350 CO -0.18 0.38 0.37 -0.08 0.37 0.00 0.00 175.52 176.38 1of6 h GLU 351 N 0.09 0.67 -0.52 6.66 4.81 -0.80 0.00 114.58 125.49 1of6 h GLU 351 Ca 0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1of6 h GLU 351 Cb 0.65 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1of6 h GLU 351 CO 0.04 0.44 0.06 -0.44 -0.73 0.00 0.00 179.01 178.38 1of6 h ASP 352 N 0.69 0.84 -0.32 1.04 3.32 -1.12 -2.12 116.42 118.75 1of6 h ASP 352 Ca 0.30 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1of6 h ASP 352 Cb 0.19 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1of6 h ASP 352 CO -0.18 0.90 0.20 0.58 -1.72 0.00 0.00 179.24 179.02 1of6 h VAL 353 N 0.75 1.07 -0.25 -1.35 2.07 -0.68 -2.36 116.25 115.49 1of6 h VAL 353 Ca 0.15 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 1of6 h VAL 353 Cb 0.43 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1of6 h VAL 353 CO 0.01 0.08 -0.43 -0.07 0.02 0.00 0.00 177.57 177.18 1of6 h LEU 354 N 0.41 0.65 -0.50 2.57 3.38 -0.87 -1.01 115.31 119.95 1of6 h LEU 354 Ca 0.12 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1of6 h LEU 354 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1of6 h LEU 354 CO -0.03 1.00 -0.12 0.03 0.09 0.00 0.00 178.44 179.40 1of6 h ARG 355 N 0.50 0.97 -0.33 1.13 3.08 -1.39 -0.91 114.38 117.43 1of6 h ARG 355 Ca 0.04 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1of6 h ARG 355 Cb 0.95 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1of6 h ARG 355 CO 0.09 1.04 0.16 -0.22 -1.07 0.00 0.00 179.97 179.97 1of6 h LYS 356 N 0.83 0.47 -0.63 0.04 3.64 -1.35 -2.21 116.57 117.37 1of6 h LYS 356 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1of6 h LYS 356 Cb 0.68 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1of6 h LYS 356 CO 0.05 0.43 0.31 1.25 -2.27 0.00 0.00 179.45 179.22 1of6 h LEU 357 N 0.40 0.79 -1.25 5.20 5.85 -1.13 -1.32 115.31 123.85 1of6 h LEU 357 Ca 0.11 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1of6 h LEU 357 Cb 0.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1of6 h LEU 357 CO -0.01 0.66 -0.37 0.00 -0.34 0.00 0.00 178.44 178.38 1of6 h ALA 358 N 1.47 1.30 -0.33 1.25 0.00 -0.91 -2.24 119.26 119.80 1of6 h ALA 358 Ca 0.22 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1of6 h ALA 358 Cb 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1of6 h ALA 358 CO -0.03 0.46 -0.48 0.00 0.00 0.00 0.00 179.25 179.19 1of6 h ALA 359 N 1.63 0.50 -0.97 0.00 0.00 -0.74 -2.54 119.26 117.15 1of6 h ALA 359 Ca -0.00 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.50 1of6 h ALA 359 Cb 0.69 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1of6 h ALA 359 CO 0.05 0.68 0.61 0.00 0.00 0.00 0.00 179.25 180.58 1of6 h ALA 360 N 0.71 1.38 -0.55 0.00 0.00 -0.84 -0.46 119.26 119.51 1of6 h ALA 360 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1of6 h ALA 360 Cb 1.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1of6 h ALA 360 CO 0.11 0.31 -0.09 0.28 0.00 0.00 0.00 179.25 179.87 1of6 h VAL 361 N 1.05 1.27 -0.42 0.00 2.07 -1.33 -0.19 116.25 118.70 1of6 h VAL 361 Ca 0.44 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1of6 h VAL 361 Cb 0.29 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1of6 h VAL 361 CO -0.21 0.44 0.02 0.03 0.02 0.00 0.00 177.57 177.87 1of6 h ARG 362 N 0.91 0.72 0.00 1.57 3.08 -1.01 -2.33 114.38 117.32 1of6 h ARG 362 Ca 0.15 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1of6 h ARG 362 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1of6 h ARG 362 CO 0.04 0.79 -0.36 0.37 -1.07 0.00 0.00 179.97 179.74 1of6 h GLN 363 N 0.56 0.00 0.00 0.04 5.75 -0.87 -2.55 115.11 118.04 1of6 h GLN 363 Ca 0.12 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.44 1of6 h GLN 363 Cb 0.45 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1of6 h GLN 363 CO 0.02 0.36 -0.85 -0.09 -2.65 0.00 0.00 178.83 175.62 1of6 h ARG 364 N 0.00 0.00 -0.88 1.69 2.43 -0.93 -2.55 114.38 114.14 1of6 h ARG 364 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1of6 h ARG 364 Cb 0.72 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1of6 h ARG 364 CO 0.05 0.85 0.58 -0.09 -1.51 0.00 0.00 179.97 179.84 1of6 h ARG 365 N 0.00 1.16 -0.28 0.20 2.43 -1.01 -2.08 114.38 114.80 1of6 h ARG 365 Ca -0.01 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 1of6 h ARG 365 Cb 1.51 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1of6 h ARG 365 CO 0.11 0.77 -0.47 1.49 -1.51 0.00 0.00 179.97 180.36 1of6 h GLU 366 N 1.19 0.74 0.00 0.20 4.57 -1.31 -2.79 114.58 117.18 1of6 h GLU 366 Ca 0.32 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1of6 h GLU 366 Cb -0.13 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1of6 h GLU 366 CO -0.07 1.05 -0.31 0.28 -1.18 0.00 0.00 179.01 178.78 1of6 h VAL 367 N 0.59 1.13 -0.02 0.32 2.07 -1.05 -3.52 116.25 115.78 1of6 h VAL 367 Ca 0.03 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1of6 h VAL 367 Cb 1.03 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1of6 h VAL 367 CO 0.10 0.30 0.00 0.59 0.02 0.00 0.00 177.57 178.58