#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 3.11 -0.48 4.61 0.00 -1.26 -5.00 121.76 122.74 1of6 s ALA 19 Ca 0.00 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 1of6 s ALA 19 Cb 0.00 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.71 1of6 s ALA 19 CO 0.00 -1.00 0.39 -2.00 0.00 0.00 0.00 175.76 173.15 1of6 s GLU 20 N -2.51 2.77 0.10 0.00 2.12 -1.26 -5.07 118.70 114.85 1of6 s GLU 20 Ca 0.62 -1.60 0.03 0.00 0.36 0.00 0.00 54.97 54.38 1of6 s GLU 20 Cb -0.38 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 29.91 1of6 s GLU 20 CO 0.48 -1.16 -0.09 -1.21 -0.54 0.00 0.00 175.26 172.75 1of6 s GLU 21 N 1.51 0.84 -1.86 4.30 2.02 -1.26 -4.88 118.70 119.37 1of6 s GLU 21 Ca 0.04 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1of6 s GLU 21 Cb -0.26 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.57 1of6 s GLU 21 CO 0.03 0.04 0.00 -0.25 0.02 0.00 0.00 175.26 175.10 1of6 n ASP 22 N 0.30 -5.45 0.28 -0.19 9.92 -1.26 -4.85 116.55 115.30 1of6 n ASP 22 Ca -0.14 0.24 0.19 0.00 -0.53 0.00 0.00 54.79 54.54 1of6 n ASP 22 Cb 0.59 -4.58 0.83 0.00 -0.64 0.00 0.00 41.12 37.33 1of6 n ASP 22 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1of6 h VAL 23 N 0.00 0.00 -0.21 2.53 3.04 -2.01 -2.66 116.25 116.94 1of6 h VAL 23 Ca -0.43 -0.33 -0.05 0.00 -1.01 0.00 0.00 66.70 64.89 1of6 h VAL 23 Cb 1.30 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 31.85 1of6 h VAL 23 CO 0.56 0.00 -0.05 0.54 -1.01 0.00 0.00 177.57 177.61 1of6 n ARG 24 N -3.01 2.18 -3.93 4.17 1.74 -1.26 -4.94 116.66 111.61 1of6 n ARG 24 Ca -0.00 -2.90 -0.34 0.00 -0.77 0.00 0.00 57.85 53.83 1of6 n ARG 24 Cb 0.22 -1.75 -0.14 0.00 -1.02 0.00 0.00 32.46 29.78 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 2.88 0.31 0.55 -1.09 -1.00 -4.99 121.20 114.87 1of6 s ILE 25 Ca 0.40 -1.45 0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1of6 s ILE 25 Cb 0.35 -2.67 0.05 0.00 -1.58 0.00 0.00 42.46 38.60 1of6 s ILE 25 CO 0.04 -0.12 1.72 -0.07 -1.23 0.00 0.00 174.94 175.29 1of6 h LEU 26 N 7.96 0.19 0.00 2.97 3.38 -1.92 -3.49 115.31 124.40 1of6 h LEU 26 Ca -0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1of6 h LEU 26 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1of6 h LEU 26 CO 0.53 0.58 0.00 0.61 0.09 0.00 0.00 178.44 180.25 1of6 n GLY 27 N -0.22 0.77 3.10 0.83 0.00 -1.26 -5.11 105.19 103.29 1of6 n GLY 27 Ca -0.02 -0.82 -0.33 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 3.45 0.27 1.61 1.51 -1.26 -5.12 117.35 115.81 1of6 s TYR 28 Ca 0.00 -2.38 -0.18 0.00 -1.01 0.00 0.00 57.07 53.50 1of6 s TYR 28 Cb 0.00 -2.46 -0.09 0.00 -0.11 0.00 0.00 41.96 39.31 1of6 s TYR 28 CO 0.00 -0.89 0.74 -0.51 -1.11 0.00 0.00 175.55 173.78 1of6 s ASP 29 N 1.22 6.93 0.45 2.29 1.01 -1.26 -5.04 116.67 122.28 1of6 s ASP 29 Ca 0.00 1.37 -0.21 0.00 0.71 0.00 0.00 52.55 54.42 1of6 s ASP 29 Cb -0.20 -2.40 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 1of6 s ASP 29 CO -0.04 -0.09 1.04 -2.16 0.21 0.00 0.00 175.17 174.13 1of6 s PRO 30 N -2.45 3.94 -0.11 8.23 0.04 -1.26 -5.03 135.00 138.36 1of6 s PRO 30 Ca 0.49 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 1of6 s PRO 30 Cb -0.14 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1of6 s PRO 30 CO 0.19 -0.31 -0.08 -1.17 0.04 0.00 0.00 177.00 175.67 1of6 s LEU 31 N -3.20 1.19 0.37 -3.56 2.96 -1.26 -4.91 118.68 110.28 1of6 s LEU 31 Ca 0.64 -0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 53.98 1of6 s LEU 31 Cb -0.18 -0.83 -0.11 0.00 0.50 0.00 0.00 46.19 45.57 1of6 s LEU 31 CO 0.22 -0.11 1.29 0.00 -1.32 0.00 0.00 176.35 176.42 1of6 n ALA 32 N 4.89 1.34 -1.71 5.97 0.00 -1.26 -4.96 120.51 124.77 1of6 n ALA 32 Ca -0.13 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 1of6 n ALA 32 Cb 0.50 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.71 1of6 n ALA 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1of6 s SER 33 N -0.37 5.85 0.18 0.00 1.04 -1.26 -4.86 113.70 114.27 1of6 s SER 33 Ca 0.57 1.56 -0.14 0.00 0.48 0.00 0.00 55.95 58.42 1of6 s SER 33 Cb -0.54 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.25 1of6 s SER 33 CO 0.61 -1.13 1.69 -0.65 0.98 0.00 0.00 173.24 174.74 1of6 h PRO 34 N -0.29 0.11 -0.55 4.02 0.11 -1.79 -1.77 132.00 131.84 1of6 h PRO 34 Ca -0.44 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1of6 h PRO 34 Cb 1.20 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1of6 h PRO 34 CO 0.59 0.07 0.24 0.00 -0.21 0.00 0.00 178.00 178.69 1of6 h ALA 35 N 1.41 0.70 -0.52 -0.75 0.00 -1.13 -0.16 119.26 118.82 1of6 h ALA 35 Ca 0.23 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1of6 h ALA 35 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1of6 h ALA 35 CO -0.39 -0.15 0.06 1.25 0.00 0.00 0.00 179.25 180.03 1of6 h LEU 36 N 0.45 0.79 -0.51 0.00 5.85 -1.61 -2.42 115.31 117.86 1of6 h LEU 36 Ca 0.26 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1of6 h LEU 36 Cb 0.25 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1of6 h LEU 36 CO -0.23 0.81 -0.74 0.25 -0.34 0.00 0.00 178.44 178.19 1of6 h LEU 37 N 0.79 0.00 -0.56 2.25 7.12 -0.64 -1.71 115.31 122.57 1of6 h LEU 37 Ca 0.16 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1of6 h LEU 37 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1of6 h LEU 37 CO 0.01 0.74 0.00 1.56 -0.13 0.00 0.00 178.44 180.62 1of6 h GLN 38 N 0.00 0.00 0.08 1.25 4.20 -0.55 -1.45 115.11 118.64 1of6 h GLN 38 Ca -0.01 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1of6 h GLN 38 Cb 1.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1of6 h GLN 38 CO 0.10 0.00 -1.93 0.28 -0.67 0.00 0.00 178.83 176.60 1of6 n VAL 39 N -2.46 1.70 -0.37 -0.54 0.31 -1.03 -3.62 118.33 112.31 1of6 n VAL 39 Ca 0.03 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1of6 n VAL 39 Cb 0.33 -1.77 0.14 0.00 -0.91 0.00 0.00 33.84 31.63 1of6 n VAL 39 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1of6 h GLN 40 N -0.19 1.23 -2.76 5.55 4.20 -1.26 -3.33 115.11 118.55 1of6 h GLN 40 Ca -0.44 -0.07 -0.61 0.00 0.06 0.00 0.00 58.65 57.59 1of6 h GLN 40 Cb 1.86 -0.28 -0.41 0.00 0.30 0.00 0.00 27.48 28.96 1of6 h GLN 40 CO -0.01 0.81 -0.68 -0.89 -0.67 0.00 0.00 178.83 177.39 1of6 n ILE 41 N -4.45 1.03 -2.27 2.54 5.41 -0.55 -5.09 119.36 115.98 1of6 n ILE 41 Ca 0.14 -4.57 -0.39 0.00 1.00 0.00 0.00 62.75 58.92 1of6 n ILE 41 Cb 0.10 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 36.95 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 -1.27 4.18 0.11 0.38 0.04 -1.24 -4.63 135.00 132.58 1of6 s PRO 42 Ca 0.29 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 1of6 s PRO 42 Cb 0.01 -2.83 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1of6 s PRO 42 CO -0.15 -0.23 0.89 0.00 0.04 0.00 0.00 177.00 177.55 1of6 s ALA 43 N -1.32 3.30 0.95 8.56 0.00 -1.26 -5.02 121.76 126.97 1of6 s ALA 43 Ca 0.54 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1of6 s ALA 43 Cb -0.33 -3.17 0.16 0.00 0.00 0.00 0.00 23.12 19.78 1of6 s ALA 43 CO 0.42 0.05 1.11 0.95 0.00 0.00 0.00 175.76 178.29 1of6 s THR 44 N -0.24 2.14 0.35 0.00 -4.23 -1.26 -4.82 115.64 107.58 1of6 s THR 44 Ca 0.43 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1of6 s THR 44 Cb -0.23 -2.64 0.29 0.00 1.34 0.00 0.00 72.50 71.26 1of6 s THR 44 CO 0.28 -0.06 1.96 -0.65 -0.54 0.00 0.00 174.62 175.61 1of6 h PRO 45 N -1.70 0.77 -0.35 3.99 0.11 -2.00 -2.22 132.00 130.61 1of6 h PRO 45 Ca -0.52 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.38 1of6 h PRO 45 Cb 1.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1of6 h PRO 45 CO 0.59 0.51 -0.40 1.15 -0.21 0.00 0.00 178.00 179.64 1of6 h THR 46 N 0.80 1.28 -0.08 -1.15 2.02 -1.91 -2.43 112.91 111.43 1of6 h THR 46 Ca 0.32 -1.57 0.02 0.00 0.77 0.00 0.00 66.41 65.94 1of6 h THR 46 Cb 0.23 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1of6 h THR 46 CO -0.10 0.52 -0.03 0.28 0.37 0.00 0.00 175.52 176.56 1of6 h SER 47 N 0.69 -0.09 -0.42 4.18 0.02 -1.60 -0.37 113.55 115.96 1of6 h SER 47 Ca 0.05 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1of6 h SER 47 Cb 0.97 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1of6 h SER 47 CO 0.09 -0.03 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.41 1of6 h LEU 48 N -0.01 0.96 -0.88 5.07 3.38 -1.31 -1.34 115.31 121.19 1of6 h LEU 48 Ca 0.04 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1of6 h LEU 48 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1of6 h LEU 48 CO -0.09 1.18 0.17 -0.08 0.09 0.00 0.00 178.44 179.71 1of6 h GLU 49 N 0.75 0.99 -0.37 1.13 4.57 -1.43 -2.38 114.58 117.85 1of6 h GLU 49 Ca 0.09 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1of6 h GLU 49 Cb 0.85 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1of6 h GLU 49 CO 0.07 0.87 0.18 1.15 -1.18 0.00 0.00 179.01 180.11 1of6 h THR 50 N 0.95 1.16 -0.33 0.32 2.02 -0.83 -1.20 112.91 115.00 1of6 h THR 50 Ca 0.20 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.97 1of6 h THR 50 Cb 0.32 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1of6 h THR 50 CO -0.00 0.17 0.04 0.00 0.37 0.00 0.00 175.52 176.10 1of6 h ALA 51 N 1.03 0.33 -0.53 6.16 0.00 -1.13 -0.62 119.26 124.49 1of6 h ALA 51 Ca 0.13 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1of6 h ALA 51 Cb 0.11 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1of6 h ALA 51 CO -0.02 -0.37 0.34 0.87 0.00 0.00 0.00 179.25 180.07 1of6 h LYS 52 N 0.14 0.66 -0.17 0.00 1.57 -1.30 -2.29 116.57 115.18 1of6 h LYS 52 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1of6 h LYS 52 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1of6 h LYS 52 CO -0.23 0.44 0.06 -0.09 -0.57 0.00 0.00 179.45 179.06 1of6 h ARG 53 N 0.68 0.26 -0.34 3.15 2.43 -0.97 -1.12 114.38 118.46 1of6 h ARG 53 Ca 0.21 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1of6 h ARG 53 Cb -0.03 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1of6 h ARG 53 CO -0.07 0.35 0.20 0.78 -1.51 0.00 0.00 179.97 179.71 1of6 h GLY 54 N 0.12 0.49 0.75 2.80 0.00 -1.01 -0.88 103.07 105.34 1of6 h GLY 54 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1of6 h GLY 54 CO -0.00 0.19 -0.08 3.21 0.00 0.00 0.00 176.54 179.86 1of6 h ARG 55 N 0.47 0.32 -0.70 4.80 3.08 -0.82 -2.20 114.38 119.34 1of6 h ARG 55 Ca 0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1of6 h ARG 55 Cb -0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1of6 h ARG 55 CO -0.02 0.65 0.38 0.00 -1.07 0.00 0.00 179.97 179.91 1of6 h ARG 56 N -0.01 0.97 -0.49 0.04 3.08 -0.81 0.23 114.38 117.40 1of6 h ARG 56 Ca 0.03 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1of6 h ARG 56 Cb 0.55 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1of6 h ARG 56 CO 0.02 0.73 -0.17 0.93 -1.07 0.00 0.00 179.97 180.41 1of6 h GLU 57 N 0.96 0.96 0.00 0.04 5.08 -1.21 0.19 114.58 120.61 1of6 h GLU 57 Ca 0.25 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1of6 h GLU 57 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1of6 h GLU 57 CO -0.04 1.05 -0.00 0.00 -1.00 0.00 0.00 179.01 179.01 1of6 h ALA 58 N 0.96 -0.01 -0.20 3.43 0.00 -1.21 -1.23 119.26 120.99 1of6 h ALA 58 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1of6 h ALA 58 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1of6 h ALA 58 CO 0.06 -0.44 0.05 0.82 0.00 0.00 0.00 179.25 179.74 1of6 h ILE 59 N -0.14 0.93 -0.50 0.00 2.04 -0.40 -1.34 117.51 118.10 1of6 h ILE 59 Ca -0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1of6 h ILE 59 Cb 0.13 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1of6 h ILE 59 CO 0.00 0.03 0.33 0.44 0.00 0.00 0.00 178.15 178.95 1of6 h ASP 60 N 0.14 0.55 -0.03 1.72 3.32 -0.40 -1.94 116.42 119.77 1of6 h ASP 60 Ca 0.09 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1of6 h ASP 60 Cb 0.07 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1of6 h ASP 60 CO -0.11 0.39 -0.46 0.40 -1.72 0.00 0.00 179.24 177.74 1of6 h ILE 61 N 0.64 1.44 0.00 0.35 2.04 -0.92 0.24 117.51 121.30 1of6 h ILE 61 Ca 0.19 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 1of6 h ILE 61 Cb -0.02 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1of6 h ILE 61 CO -0.04 0.56 -0.19 0.16 0.00 0.00 0.00 178.15 178.64 1of6 h ILE 62 N -0.15 0.41 -0.58 -0.67 3.07 -1.10 -2.76 117.51 115.74 1of6 h ILE 62 Ca -0.05 -1.13 0.00 0.00 1.55 0.00 0.00 64.86 65.23 1of6 h ILE 62 Cb 1.15 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 1of6 h ILE 62 CO 0.09 0.18 0.00 0.35 -1.05 0.00 0.00 178.15 177.73 1of6 n THR 63 N -3.27 0.82 -0.82 0.16 -2.24 -0.74 -1.29 114.28 106.89 1of6 n THR 63 Ca 0.01 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1of6 n THR 63 Cb 0.46 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.50 0.71 0.23 3.38 0.00 -1.04 -4.91 105.19 105.05 1of6 n GLY 64 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 1of6 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1of6 h LYS 65 N 2.21 0.00 -4.20 1.61 1.57 -1.25 -3.45 116.57 113.07 1of6 h LYS 65 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1of6 h LYS 65 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.05 1of6 h LYS 65 CO 0.00 0.00 -0.74 0.34 -0.57 0.00 0.00 179.45 178.48 1of6 s ASP 66 N -5.29 0.48 -0.05 0.86 2.15 -0.69 -4.98 116.67 109.15 1of6 s ASP 66 Ca 0.03 -0.22 0.20 0.00 0.43 0.00 0.00 52.55 52.99 1of6 s ASP 66 Cb 0.09 -0.01 0.64 0.00 -0.30 0.00 0.00 42.92 43.34 1of6 s ASP 66 CO 0.52 -0.05 1.54 -0.90 -0.17 0.00 0.00 175.17 176.11 1of6 n ASP 67 N 2.50 4.16 -4.81 -0.34 5.68 -1.26 -4.50 116.55 117.98 1of6 n ASP 67 Ca -0.16 -2.19 -0.29 0.00 -0.50 0.00 0.00 54.79 51.65 1of6 n ASP 67 Cb 0.57 -0.50 0.13 0.00 -1.14 0.00 0.00 41.12 40.18 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 -1.37 1.31 -0.13 0.11 0.52 -1.26 -4.96 118.95 113.17 1of6 s ARG 68 Ca 0.47 0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.89 1of6 s ARG 68 Cb 0.27 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 1of6 s ARG 68 CO 0.28 -2.08 0.07 0.08 0.02 0.00 0.00 175.30 173.66 1of6 s VAL 69 N -3.33 4.85 -0.29 3.52 1.01 -0.83 -4.90 120.40 120.43 1of6 s VAL 69 Ca 0.63 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 1of6 s VAL 69 Cb -0.14 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1of6 s VAL 69 CO 0.53 0.56 0.89 -0.22 0.00 0.00 0.00 175.10 176.85 1of6 s LEU 70 N -0.52 4.05 -0.19 3.92 2.96 0.73 -1.66 118.68 127.97 1of6 s LEU 70 Ca 0.10 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1of6 s LEU 70 Cb -0.12 -3.25 -0.00 0.00 0.50 0.00 0.00 46.19 43.32 1of6 s LEU 70 CO 0.02 -0.66 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.60 1of6 s VAL 71 N 3.11 2.95 -0.40 1.68 1.01 -0.48 -1.39 120.40 126.89 1of6 s VAL 71 Ca 0.37 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1of6 s VAL 71 Cb -0.14 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1of6 s VAL 71 CO 0.11 0.47 0.25 -0.63 0.00 0.00 0.00 175.10 175.31 1of6 s ILE 72 N 1.20 4.65 0.00 2.22 -1.09 -0.01 -1.13 121.20 127.04 1of6 s ILE 72 Ca 0.02 -0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 57.45 1of6 s ILE 72 Cb -0.14 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1of6 s ILE 72 CO -0.04 -0.35 -0.00 0.54 -1.23 0.00 0.00 174.94 173.85 1of6 s VAL 73 N 1.55 0.02 -5.00 2.92 0.11 -0.38 -1.31 120.40 118.31 1of6 s VAL 73 Ca 0.03 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1of6 s VAL 73 Cb -0.21 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 1of6 s VAL 73 CO 0.06 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1of6 n GLY 74 N 2.82 -0.53 3.66 6.54 0.00 -0.82 -1.23 105.19 115.64 1of6 n GLY 74 Ca -0.14 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.37 -0.25 -0.20 1.61 -0.02 0.40 -0.67 135.00 135.51 1of6 n PRO 75 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1of6 n PRO 75 Cb 0.00 -2.37 0.05 0.00 -0.02 0.00 0.00 33.50 31.16 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 -5.65 -0.41 -0.31 0.00 1.04 -1.26 -4.56 113.70 102.55 1of6 s SER 77 Ca -0.13 0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 1of6 s SER 77 Cb 0.14 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1of6 s SER 77 CO 0.75 -0.76 0.06 -0.63 0.98 0.00 0.00 173.24 173.64 1of6 s ILE 78 N -2.80 3.63 -0.42 -1.02 1.01 0.01 -4.86 121.20 116.75 1of6 s ILE 78 Ca -0.03 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.70 1of6 s ILE 78 Cb -0.00 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 1of6 s ILE 78 CO -0.05 -0.04 0.39 0.00 0.00 0.00 0.00 174.94 175.24 1of6 n HIS 79 N 4.79 0.00 -3.78 3.97 1.44 -1.26 -4.63 115.22 115.75 1of6 n HIS 79 Ca -0.14 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.30 1of6 n HIS 79 Cb 0.46 -0.01 -0.17 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.95 2.81 0.35 4.39 2.15 -1.26 -4.93 116.67 118.24 1of6 s ASP 80 Ca 0.03 -0.73 0.07 0.00 0.43 0.00 0.00 52.55 52.35 1of6 s ASP 80 Cb 0.07 -0.67 0.67 0.00 -0.30 0.00 0.00 42.92 42.69 1of6 s ASP 80 CO 0.38 -0.27 1.87 -0.07 -0.17 0.00 0.00 175.17 176.92 1of6 h LEU 81 N 8.21 0.34 0.20 -1.34 4.07 -1.98 -2.61 115.31 122.20 1of6 h LEU 81 Ca -0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 1of6 h LEU 81 Cb 1.12 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1of6 h LEU 81 CO 0.34 0.49 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.02 1of6 h GLU 82 N 0.34 -0.26 -0.17 1.13 4.57 -2.00 -2.74 114.58 115.46 1of6 h GLU 82 Ca 0.07 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1of6 h GLU 82 Cb 0.41 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1of6 h GLU 82 CO 0.02 0.09 -0.17 0.00 -1.18 0.00 0.00 179.01 177.77 1of6 h ALA 83 N 0.05 -0.06 -0.90 2.92 0.00 -2.00 -2.37 119.26 116.90 1of6 h ALA 83 Ca -0.03 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1of6 h ALA 83 Cb 0.46 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1of6 h ALA 83 CO 0.04 -0.61 0.58 0.00 0.00 0.00 0.00 179.25 179.26 1of6 h ALA 84 N 0.88 1.87 -0.32 0.00 0.00 -1.48 0.27 119.26 120.49 1of6 h ALA 84 Ca 0.11 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1of6 h ALA 84 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1of6 h ALA 84 CO -0.28 -0.13 -0.41 0.37 0.00 0.00 0.00 179.25 178.80 1of6 h GLN 85 N 0.66 0.77 -0.26 0.00 5.75 -1.16 0.28 115.11 121.15 1of6 h GLN 85 Ca 0.46 -0.41 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 1of6 h GLN 85 Cb 0.79 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1of6 h GLN 85 CO -0.21 1.03 -0.47 1.49 -2.65 0.00 0.00 178.83 178.02 1of6 h GLU 86 N 0.63 0.68 -0.65 1.69 4.81 -0.43 -1.54 114.58 119.77 1of6 h GLU 86 Ca 0.05 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1of6 h GLU 86 Cb 0.96 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1of6 h GLU 86 CO 0.09 1.00 0.18 -0.92 -0.73 0.00 0.00 179.01 178.63 1of6 h TYR 87 N 0.54 1.06 -0.41 0.92 5.03 -0.20 -2.75 116.97 121.15 1of6 h TYR 87 Ca 0.03 -0.11 -0.05 0.00 2.58 0.00 0.00 58.73 61.18 1of6 h TYR 87 Cb 1.02 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.98 1of6 h TYR 87 CO 0.05 0.87 0.06 0.00 -1.32 0.00 0.00 178.16 177.82 1of6 h ALA 88 N 1.07 0.54 -0.71 1.82 0.00 -0.10 -0.69 119.26 121.19 1of6 h ALA 88 Ca 0.21 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1of6 h ALA 88 Cb 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1of6 h ALA 88 CO -0.00 0.26 0.44 -0.07 0.00 0.00 0.00 179.25 179.88 1of6 h LEU 89 N 0.53 0.72 -0.92 0.00 -0.00 -1.11 0.15 115.31 114.68 1of6 h LEU 89 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.97 1of6 h LEU 89 Cb 0.38 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 1of6 h LEU 89 CO 0.01 0.49 0.38 0.03 -0.00 0.00 0.00 178.44 179.36 1of6 h ARG 90 N 0.86 1.16 0.00 1.13 3.08 -1.15 -2.24 114.38 117.22 1of6 h ARG 90 Ca 0.29 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 1of6 h ARG 90 Cb 0.03 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1of6 h ARG 90 CO -0.11 0.89 -0.80 1.25 -1.07 0.00 0.00 179.97 180.13 1of6 h LEU 91 N 1.15 0.01 0.71 3.04 5.85 0.23 -1.96 115.31 124.34 1of6 h LEU 91 Ca 0.28 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1of6 h LEU 91 Cb 0.12 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1of6 h LEU 91 CO -0.03 0.80 -0.34 0.50 -0.34 0.00 0.00 178.44 179.03 1of6 h LYS 92 N 0.00 -0.92 -0.91 1.25 1.63 -0.49 0.66 116.57 117.79 1of6 h LYS 92 Ca -0.01 0.06 0.12 0.00 -0.85 0.00 0.00 60.65 59.97 1of6 h LYS 92 Cb 1.41 0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 33.18 1of6 h LYS 92 CO 0.10 -0.61 0.58 -0.22 -3.45 0.00 0.00 179.45 175.86 1of6 h LYS 93 N -0.98 0.80 -0.13 1.90 3.64 -1.38 -1.18 116.57 119.24 1of6 h LYS 93 Ca -0.10 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.07 1of6 h LYS 93 Cb 0.74 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1of6 h LYS 93 CO 0.16 0.53 -0.60 1.25 -2.27 0.00 0.00 179.45 178.52 1of6 h LEU 94 N 0.83 0.49 -0.68 5.20 5.85 -1.16 -3.03 115.31 122.81 1of6 h LEU 94 Ca 0.44 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1of6 h LEU 94 Cb 0.55 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1of6 h LEU 94 CO -0.21 0.97 -0.43 -1.28 -0.34 0.00 0.00 178.44 177.16 1of6 h SER 95 N 0.32 0.56 -0.54 1.25 0.87 0.04 -2.18 113.55 113.86 1of6 h SER 95 Ca -0.00 -0.25 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1of6 h SER 95 Cb 1.13 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.88 1of6 h SER 95 CO 0.10 0.92 0.22 0.44 -0.53 0.00 0.00 176.83 177.98 1of6 h ASP 96 N 0.43 0.25 0.74 6.23 3.32 -1.21 0.72 116.42 126.90 1of6 h ASP 96 Ca 0.03 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1of6 h ASP 96 Cb 0.93 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1of6 h ASP 96 CO 0.08 0.17 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.19 1of6 h GLU 97 N 0.42 0.00 -0.25 3.56 4.81 -1.35 -3.29 114.58 118.48 1of6 h GLU 97 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1of6 h GLU 97 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1of6 h GLU 97 CO -0.24 0.51 0.00 1.28 -0.73 0.00 0.00 179.01 179.83 1of6 n LEU 98 N -3.67 2.87 -0.21 1.64 4.77 -0.85 -4.62 117.00 116.93 1of6 n LEU 98 Ca -0.01 -1.44 0.23 0.00 -0.03 0.00 0.00 56.01 54.76 1of6 n LEU 98 Cb 0.57 -0.16 0.59 0.00 -2.33 0.00 0.00 43.42 42.10 1of6 n LEU 98 CO 0.40 0.62 1.23 0.07 -1.33 0.00 0.00 177.39 178.38 1of6 h LYS 99 N 3.27 0.24 -0.22 3.23 2.10 -0.92 0.30 116.57 124.56 1of6 h LYS 99 Ca 0.00 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.70 1of6 h LYS 99 Cb 0.78 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 1of6 h LYS 99 CO 0.00 0.16 0.18 0.78 -2.00 0.00 0.00 179.45 178.57 1of6 h GLY 100 N 0.24 0.00 0.00 0.07 0.00 -1.86 -3.35 103.07 98.18 1of6 h GLY 100 Ca 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1of6 h GLY 100 CO -0.12 0.00 -1.12 1.22 0.00 0.00 0.00 176.54 176.53 1of6 n ASP 101 N -4.23 4.55 -3.99 0.19 8.00 0.87 -4.86 116.55 117.08 1of6 n ASP 101 Ca 0.02 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 1of6 n ASP 101 Cb 0.32 0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 41.92 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 -3.92 1.60 -0.42 0.64 1.43 -0.18 -1.97 118.68 115.85 1of6 s LEU 102 Ca -0.01 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 1of6 s LEU 102 Cb 0.01 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1of6 s LEU 102 CO 0.08 0.02 0.36 -0.55 0.23 0.00 0.00 176.35 176.49 1of6 s SER 103 N 0.61 6.14 -0.14 2.29 0.15 -0.66 -3.93 113.70 118.16 1of6 s SER 103 Ca -0.12 -0.88 -0.07 0.00 0.70 0.00 0.00 55.95 55.59 1of6 s SER 103 Cb -0.14 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1of6 s SER 103 CO 0.02 -0.52 0.12 -0.63 1.20 0.00 0.00 173.24 173.43 1of6 s ILE 104 N 1.84 5.29 -0.09 6.45 1.01 -1.26 -1.38 121.20 133.07 1of6 s ILE 104 Ca 0.07 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1of6 s ILE 104 Cb -0.19 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 38.97 1of6 s ILE 104 CO 0.11 0.56 -0.10 -0.63 0.00 0.00 0.00 174.94 174.87 1of6 s ILE 105 N -0.52 1.08 0.04 2.92 1.01 -0.29 -4.53 121.20 120.91 1of6 s ILE 105 Ca 0.12 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1of6 s ILE 105 Cb -0.12 -1.03 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 1of6 s ILE 105 CO 0.02 0.36 1.41 -0.32 0.00 0.00 0.00 174.94 176.40 1of6 s MET 106 N 1.12 4.29 -0.24 2.79 -2.45 0.46 -1.25 119.30 124.02 1of6 s MET 106 Ca -0.06 2.01 -0.34 0.00 -1.25 0.00 0.00 55.69 56.05 1of6 s MET 106 Cb -0.14 -3.48 -0.11 0.00 1.25 0.00 0.00 34.83 32.35 1of6 s MET 106 CO -0.02 -0.54 2.05 0.54 1.05 0.00 0.00 175.02 178.11 1of6 n ARG 107 N 4.95 1.57 -3.05 4.11 1.74 -0.36 -1.42 116.66 124.20 1of6 n ARG 107 Ca 0.13 0.50 -0.28 0.00 -0.77 0.00 0.00 57.85 57.43 1of6 n ARG 107 Cb 0.43 -2.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.22 1of6 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1of6 n ALA 108 N 8.66 4.58 -2.19 7.54 0.00 0.06 -4.15 120.51 135.02 1of6 n ALA 108 Ca 0.32 -4.73 -0.30 0.00 0.00 0.00 0.00 53.44 48.74 1of6 n ALA 108 Cb 0.27 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 -3.25 3.49 -0.03 0.00 1.51 -1.26 -4.61 117.35 113.21 1of6 s TYR 109 Ca 0.46 1.01 0.05 0.00 -1.01 0.00 0.00 57.07 57.59 1of6 s TYR 109 Cb 0.24 -2.43 -0.08 0.00 -0.11 0.00 0.00 41.96 39.59 1of6 s TYR 109 CO -0.10 -0.16 0.13 1.28 -1.11 0.00 0.00 175.55 175.59 1of6 n LEU 110 N -1.51 0.02 -3.84 -1.29 4.32 -1.26 -0.81 117.00 112.63 1of6 n LEU 110 Ca 0.02 -0.05 -0.11 0.00 -0.02 0.00 0.00 56.01 55.85 1of6 n LEU 110 Cb 0.54 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.25 1of6 n LEU 110 CO 0.49 0.01 -0.11 -1.61 -1.22 0.00 0.00 177.39 174.95 1of6 s GLU 111 N -2.28 0.59 -0.16 3.23 2.02 -1.26 0.09 118.70 120.92 1of6 s GLU 111 Ca -0.02 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 1of6 s GLU 111 Cb 0.03 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.49 1of6 s GLU 111 CO 0.22 -0.16 -0.03 0.21 0.02 0.00 0.00 175.26 175.52 1of6 s LYS 112 N -1.75 3.67 -0.41 1.61 2.47 -1.26 -4.88 119.74 119.20 1of6 s LYS 112 Ca -0.11 -0.52 -0.43 0.00 -1.56 0.00 0.00 55.97 53.35 1of6 s LYS 112 Cb -0.05 -2.94 -0.19 0.00 -1.46 0.00 0.00 37.83 33.19 1of6 s LYS 112 CO 0.00 0.22 1.43 -2.30 0.16 0.00 0.00 175.35 174.87 1of6 n PRO 113 N 3.61 0.00 -2.04 4.03 -0.02 -1.26 -4.98 135.00 134.33 1of6 n PRO 113 Ca -0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.02 1of6 n PRO 113 Cb 0.52 -1.41 0.04 0.00 -0.02 0.00 0.00 33.50 32.64 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 2.44 2.93 -0.05 -0.52 0.52 -1.26 -5.08 118.95 117.94 1of6 s ARG 114 Ca 0.97 0.34 0.04 0.00 -0.52 0.00 0.00 55.73 56.56 1of6 s ARG 114 Cb -1.38 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 1of6 s ARG 114 CO 0.74 -0.90 -0.16 0.14 0.02 0.00 0.00 175.30 175.13 1of6 s VAL 117 N -3.23 1.39 0.00 3.52 -7.23 -1.26 -5.22 120.40 108.37 1of6 s VAL 117 Ca 0.57 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1of6 s VAL 117 Cb -0.11 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1of6 s VAL 117 CO 0.50 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 176.30 1of6 n GLY 118 N 3.25 4.01 3.63 2.32 0.00 -1.26 -5.13 105.19 112.01 1of6 n GLY 118 Ca -0.19 -0.44 -0.52 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 1.76 1.33 1.61 -0.00 -1.26 -4.90 117.44 115.99 1of6 n TRP 119 Ca 0.00 0.54 0.07 0.00 -0.00 0.00 0.00 57.50 58.11 1of6 n TRP 119 Cb 0.00 -2.40 0.29 0.00 -0.00 0.00 0.00 31.31 29.19 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 3.42 1.55 0.00 5.87 5.02 -1.26 -4.74 118.16 128.02 1of6 n LYS 120 Ca 0.20 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1of6 n LYS 120 Cb 0.20 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.98 0.72 0.23 0.72 0.00 -1.26 -4.29 105.19 102.29 1of6 n GLY 121 Ca 0.12 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 0.11 0.99 5.85 -0.60 0.18 115.31 121.85 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 0.11 -0.05 0.40 -0.34 0.00 0.00 178.44 178.56 1of6 h ILE 123 N 0.00 0.67 -0.45 4.05 1.08 -1.78 -3.20 117.51 117.87 1of6 h ILE 123 Ca -0.00 -1.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 1of6 h ILE 123 Cb 0.85 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1of6 h ILE 123 CO 0.01 0.20 0.23 0.78 -0.69 0.00 0.00 178.15 178.68 1of6 h ASN 124 N -0.97 0.59 -1.93 1.72 2.35 -1.74 -3.30 115.58 112.29 1of6 h ASN 124 Ca -0.02 -0.12 -0.53 0.00 -0.55 0.00 0.00 56.30 55.08 1of6 h ASN 124 Cb 0.45 -0.15 -0.38 0.00 0.05 0.00 0.00 38.32 38.28 1of6 h ASN 124 CO 0.03 0.54 -1.11 -0.67 -1.65 0.00 0.00 177.43 174.57 1of6 n ASP 125 N -4.66 0.20 0.27 5.81 2.03 0.05 -1.86 116.55 118.40 1of6 n ASP 125 Ca 0.01 -2.78 0.18 0.00 0.52 0.00 0.00 54.79 52.72 1of6 n ASP 125 Cb 0.10 -0.55 0.79 0.00 -0.72 0.00 0.00 41.12 40.74 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 3.79 0.00 -0.01 -0.67 0.13 -1.69 -2.42 132.00 131.13 1of6 h PRO 126 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1of6 h PRO 126 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1of6 h PRO 126 CO 0.46 0.00 -0.32 -0.25 -0.23 0.00 0.00 178.00 177.66 1of6 n ASP 127 N -2.98 1.13 -3.93 1.44 8.00 -1.26 -4.96 116.55 113.99 1of6 n ASP 127 Ca -0.00 -0.94 -0.36 0.00 0.71 0.00 0.00 54.79 54.20 1of6 n ASP 127 Cb 0.24 0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1of6 n ASP 127 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1of6 n VAL 128 N -0.64 -3.80 -2.44 2.53 3.14 -0.91 -4.74 118.33 111.47 1of6 n VAL 128 Ca 0.11 -0.72 0.01 0.00 -2.96 0.00 0.00 64.34 60.78 1of6 n VAL 128 Cb 0.36 -3.00 0.05 0.00 -1.06 0.00 0.00 33.84 30.20 1of6 n VAL 128 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1of6 n ASN 129 N -2.55 1.62 -2.89 6.55 6.94 -1.26 -3.73 115.26 119.94 1of6 n ASN 129 Ca -0.16 -2.41 -0.17 0.00 -0.02 0.00 0.00 54.58 51.82 1of6 n ASN 129 Cb 0.61 -0.39 -0.00 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.16 -3.69 -4.79 0.53 5.15 -1.26 -4.97 115.26 106.07 1of6 n ASN 130 Ca 0.11 -0.07 -0.23 0.00 -0.60 0.00 0.00 54.58 53.79 1of6 n ASN 130 Cb 0.96 -3.10 -0.06 0.00 -0.53 0.00 0.00 39.78 37.06 1of6 n ASN 130 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1of6 s THR 131 N -2.74 2.44 -0.13 -0.44 -4.23 -1.26 -5.14 115.64 104.14 1of6 s THR 131 Ca 0.20 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1of6 s THR 131 Cb -0.10 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.74 1of6 s THR 131 CO 0.24 -0.00 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.75 1of6 s PHE 132 N -2.55 2.67 -0.43 3.99 0.40 -1.26 -4.18 117.98 116.62 1of6 s PHE 132 Ca 0.44 -1.22 0.08 0.00 -0.60 0.00 0.00 56.93 55.62 1of6 s PHE 132 Cb 0.01 -1.81 0.27 0.00 0.51 0.00 0.00 43.02 42.00 1of6 s PHE 132 CO 0.25 -0.54 0.77 -1.71 0.70 0.00 0.00 175.22 174.68 1of6 n ASN 133 N 3.95 -1.22 -0.27 1.36 2.85 -0.78 -5.03 115.26 116.12 1of6 n ASN 133 Ca -0.20 -3.11 0.25 0.00 -0.11 0.00 0.00 54.58 51.42 1of6 n ASN 133 Cb 0.52 0.64 0.60 0.00 1.24 0.00 0.00 39.78 42.78 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 2.37 0.55 -0.35 -1.44 2.04 -1.73 -0.89 117.51 118.05 1of6 h ILE 134 Ca -0.03 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1of6 h ILE 134 Cb 0.98 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1of6 h ILE 134 CO 0.37 0.04 -0.16 0.78 0.00 0.00 0.00 178.15 179.19 1of6 h ASN 135 N 0.24 0.75 0.16 1.72 2.35 -1.91 0.11 115.58 119.00 1of6 h ASN 135 Ca 0.52 -0.40 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1of6 h ASN 135 Cb 1.60 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 1of6 h ASN 135 CO -0.15 0.98 -0.40 0.50 -1.65 0.00 0.00 177.43 176.71 1of6 h LYS 136 N 0.51 0.32 -0.28 0.81 3.64 -1.54 -1.60 116.57 118.43 1of6 h LYS 136 Ca 0.08 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1of6 h LYS 136 Cb 0.69 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1of6 h LYS 136 CO 0.05 0.67 0.00 0.78 -2.27 0.00 0.00 179.45 178.68 1of6 h GLY 137 N 1.18 0.28 0.89 5.01 0.00 -1.00 0.22 103.07 109.63 1of6 h GLY 137 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1of6 h GLY 137 CO 0.07 -0.06 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1of6 h LEU 138 N 0.09 0.53 -0.52 3.11 3.38 -0.82 -0.29 115.31 120.79 1of6 h LEU 138 Ca 0.14 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.89 1of6 h LEU 138 Cb 0.18 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 1of6 h LEU 138 CO -0.23 0.71 -0.36 1.56 0.09 0.00 0.00 178.44 180.21 1of6 h GLN 139 N 0.34 -0.21 -0.39 1.13 4.20 -1.12 0.27 115.11 119.33 1of6 h GLN 139 Ca 0.09 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1of6 h GLN 139 Cb 0.43 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1of6 h GLN 139 CO 0.02 -0.14 -0.13 0.77 -0.67 0.00 0.00 178.83 178.67 1of6 h SER 140 N -0.22 0.69 -0.06 1.46 0.02 -0.30 0.83 113.55 115.96 1of6 h SER 140 Ca 0.20 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1of6 h SER 140 Cb 0.55 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1of6 h SER 140 CO -0.63 0.84 -0.01 0.00 -1.14 0.00 0.00 176.83 175.89 1of6 h ALA 141 N 1.22 0.09 -0.58 3.77 0.00 -0.63 -0.19 119.26 122.94 1of6 h ALA 141 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1of6 h ALA 141 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1of6 h ALA 141 CO 0.04 -0.21 0.32 -0.09 0.00 0.00 0.00 179.25 179.31 1of6 h ARG 142 N -0.20 0.80 -0.54 0.00 2.43 -0.08 -0.44 114.38 116.35 1of6 h ARG 142 Ca 0.02 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1of6 h ARG 142 Cb 0.39 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1of6 h ARG 142 CO 0.01 0.60 0.06 0.37 -1.51 0.00 0.00 179.97 179.50 1of6 h GLN 143 N 0.78 0.92 -0.09 0.20 5.75 -0.72 -0.98 115.11 120.96 1of6 h GLN 143 Ca 0.20 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1of6 h GLN 143 Cb 0.03 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1of6 h GLN 143 CO -0.03 0.91 -0.12 1.25 -2.65 0.00 0.00 178.83 178.18 1of6 h LEU 144 N 0.80 -0.37 -0.63 -2.39 5.85 -0.84 0.34 115.31 118.08 1of6 h LEU 144 Ca 0.16 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1of6 h LEU 144 Cb 0.45 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1of6 h LEU 144 CO 0.02 -0.16 0.40 -0.26 -0.34 0.00 0.00 178.44 178.09 1of6 h PHE 145 N -0.16 0.80 0.03 1.25 -1.00 -0.52 -1.51 116.94 115.84 1of6 h PHE 145 Ca 0.07 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.88 1of6 h PHE 145 Cb 0.26 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1of6 h PHE 145 CO -0.22 0.52 -0.11 0.28 -1.61 0.00 0.00 178.31 177.17 1of6 h VAL 146 N 0.85 0.73 -0.99 -0.55 2.07 -0.86 -2.04 116.25 115.46 1of6 h VAL 146 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1of6 h VAL 146 Cb -0.07 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1of6 h VAL 146 CO -0.05 0.00 0.63 0.78 0.02 0.00 0.00 177.57 178.96 1of6 h ASN 147 N -0.20 0.96 0.08 0.57 2.35 0.16 0.34 115.58 119.83 1of6 h ASN 147 Ca 0.03 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1of6 h ASN 147 Cb 0.24 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1of6 h ASN 147 CO -0.09 0.58 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.15 1of6 h LEU 148 N 1.07 -0.09 -1.77 1.61 3.38 -1.16 -3.31 115.31 115.03 1of6 h LEU 148 Ca 0.45 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1of6 h LEU 148 Cb 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1of6 h LEU 148 CO -0.20 0.54 -0.16 0.71 0.09 0.00 0.00 178.44 179.42 1of6 h THR 149 N -0.81 0.75 0.00 0.22 1.35 -1.30 -2.91 112.91 110.22 1of6 h THR 149 Ca -0.01 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1of6 h THR 149 Cb 0.60 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1of6 h THR 149 CO 0.02 0.16 0.00 -3.20 -0.25 0.00 0.00 175.52 172.24 1of6 n ASN 150 N -3.82 0.00 -1.38 5.36 5.15 0.10 -1.46 115.26 119.22 1of6 n ASN 150 Ca -0.02 0.37 0.12 0.00 -0.60 0.00 0.00 54.58 54.45 1of6 n ASN 150 Cb 0.26 -0.44 0.33 0.00 -0.53 0.00 0.00 39.78 39.39 1of6 n ASN 150 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1of6 n ILE 151 N -1.44 0.99 -0.79 -1.44 -5.35 -1.11 -4.76 119.36 105.46 1of6 n ILE 151 Ca 0.06 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 1of6 n ILE 151 Cb 0.20 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 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 1.69 0.68 3.44 3.28 0.00 -0.53 -5.05 105.19 108.70 1of6 n GLY 152 Ca 0.25 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 4.70 0.74 0.99 2.96 -1.17 -5.02 118.68 121.88 1of6 s LEU 153 Ca 0.00 -0.78 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 1of6 s LEU 153 Cb 0.00 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.65 1of6 s LEU 153 CO 0.00 -0.34 1.16 -2.84 -1.32 0.00 0.00 176.35 173.00 1of6 s PRO 154 N 1.63 2.18 0.22 0.98 0.02 -1.26 -3.45 135.00 135.32 1of6 s PRO 154 Ca 0.04 1.55 0.07 0.00 0.02 0.00 0.00 61.00 62.69 1of6 s PRO 154 Cb -0.18 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1of6 s PRO 154 CO 0.08 -1.76 -0.13 0.96 -0.33 0.00 0.00 177.00 175.83 1of6 s ILE 155 N -2.29 1.70 0.04 2.83 -4.36 -1.26 -0.41 121.20 117.45 1of6 s ILE 155 Ca 0.69 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.92 1of6 s ILE 155 Cb -0.24 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.32 1of6 s ILE 155 CO 0.47 -0.54 -0.09 -0.83 0.24 0.00 0.00 174.94 174.20 1of6 s GLY 156 N -3.34 0.54 0.23 6.27 0.00 -0.50 -1.02 107.32 109.50 1of6 s GLY 156 Ca 0.24 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 1of6 s GLY 156 CO 0.08 -0.75 0.61 -0.45 0.00 0.00 0.00 173.10 172.58 1of6 s SER 157 N -1.35 -0.27 0.29 1.64 0.15 -0.76 -0.76 113.70 112.64 1of6 s SER 157 Ca -0.06 -0.54 -0.25 0.00 0.70 0.00 0.00 55.95 55.80 1of6 s SER 157 Cb -0.09 0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1of6 s SER 157 CO 0.01 -1.17 0.88 -0.70 1.20 0.00 0.00 173.24 173.45 1of6 s GLU 158 N -3.90 4.51 -0.70 5.44 2.12 -1.26 -1.30 118.70 123.62 1of6 s GLU 158 Ca 0.11 1.21 -0.18 0.00 0.36 0.00 0.00 54.97 56.47 1of6 s GLU 158 Cb -0.03 -2.86 0.13 0.00 0.26 0.00 0.00 34.13 31.63 1of6 s GLU 158 CO 0.02 0.33 0.78 -1.64 -0.54 0.00 0.00 175.26 174.21 1of6 s MET 159 N -1.95 3.25 0.01 4.30 -1.94 0.39 -4.83 119.30 118.54 1of6 s MET 159 Ca 0.47 -1.64 -0.01 0.00 -1.71 0.00 0.00 55.69 52.80 1of6 s MET 159 Cb -0.19 -4.42 -0.27 0.00 2.01 0.00 0.00 34.83 31.97 1of6 s MET 159 CO 0.24 -1.53 0.90 -0.07 -0.01 0.00 0.00 175.02 174.54 1of6 h LEU 160 N 9.57 0.31 0.00 -0.03 3.38 -1.94 -3.46 115.31 123.14 1of6 h LEU 160 Ca -0.14 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1of6 h LEU 160 Cb 1.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1of6 h LEU 160 CO 1.03 1.36 0.25 -0.90 0.09 0.00 0.00 178.44 180.27 1of6 n ASP 161 N -3.41 -1.43 0.00 -0.43 5.68 -1.26 -5.06 116.55 110.65 1of6 n ASP 161 Ca -0.14 -1.92 0.14 0.00 -0.50 0.00 0.00 54.79 52.36 1of6 n ASP 161 Cb 1.03 2.36 0.75 0.00 -1.14 0.00 0.00 41.12 44.13 1of6 n ASP 161 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1of6 n THR 162 N -0.40 0.05 -0.06 2.12 -2.24 -1.26 -4.26 114.28 108.23 1of6 n THR 162 Ca -0.05 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1of6 n THR 162 Cb 0.40 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.22 1.39 -0.15 2.28 2.08 -1.26 -4.20 119.36 118.28 1of6 n ILE 163 Ca 0.15 0.15 0.09 0.00 0.56 0.00 0.00 62.75 63.70 1of6 n ILE 163 Cb 0.20 -2.09 0.42 0.00 -0.75 0.00 0.00 39.64 37.42 1of6 n ILE 163 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1of6 h SER 164 N -0.73 0.53 -0.08 4.38 4.64 -1.99 -1.07 113.55 119.23 1of6 h SER 164 Ca -0.07 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1of6 h SER 164 Cb 0.83 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1of6 h SER 164 CO -0.04 0.33 0.04 -0.65 -0.87 0.00 0.00 176.83 175.64 1of6 h PRO 165 N 0.60 0.14 -0.23 4.77 0.11 -1.85 -1.44 132.00 134.09 1of6 h PRO 165 Ca 0.31 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.48 1of6 h PRO 165 Cb 0.42 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1of6 h PRO 165 CO -0.10 0.11 0.27 1.96 -0.21 0.00 0.00 178.00 180.03 1of6 h GLN 166 N 0.14 0.00 0.00 1.05 1.08 -1.46 -1.15 115.11 114.76 1of6 h GLN 166 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1of6 h GLN 166 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1of6 h GLN 166 CO -0.00 0.00 -0.13 0.66 -0.95 0.00 0.00 178.83 178.40 1of6 n TYR 167 N -3.74 0.77 -0.20 2.96 4.02 -0.54 -4.40 117.16 116.02 1of6 n TYR 167 Ca 0.03 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 1of6 n TYR 167 Cb 0.40 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 -2.16 0.08 0.19 7.72 4.77 -0.92 -4.86 117.00 121.82 1of6 n LEU 168 Ca 0.05 -0.18 0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1of6 n LEU 168 Cb 0.42 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.80 1of6 n LEU 168 CO 0.31 0.02 0.69 0.00 -1.33 0.00 0.00 177.39 177.08 1of6 h ALA 169 N 0.00 0.91 0.00 -1.18 0.00 -1.43 -2.53 119.26 115.02 1of6 h ALA 169 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1of6 h ALA 169 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1of6 h ALA 169 CO 0.00 0.39 0.09 0.38 0.00 0.00 0.00 179.25 180.10 1of6 h ASP 170 N 0.00 0.00 -0.00 0.00 2.03 -1.90 -3.19 116.42 113.36 1of6 h ASP 170 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1of6 h ASP 170 Cb 0.98 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 1of6 h ASP 170 CO 0.04 0.00 -0.23 0.18 -1.03 0.00 0.00 179.24 178.20 1of6 n LEU 171 N -2.74 0.79 -4.72 0.15 4.77 -0.95 -4.80 117.00 109.48 1of6 n LEU 171 Ca -0.02 -0.66 -0.35 0.00 -0.03 0.00 0.00 56.01 54.94 1of6 n LEU 171 Cb 0.14 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1of6 n LEU 171 CO 0.15 0.17 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.42 1of6 s VAL 172 N -1.36 4.68 -0.14 4.08 1.01 -1.21 -4.56 120.40 122.91 1of6 s VAL 172 Ca 0.05 -0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.08 1of6 s VAL 172 Cb 0.06 -3.01 -0.22 0.00 0.00 0.00 0.00 36.38 33.21 1of6 s VAL 172 CO 0.23 0.59 0.38 -1.20 0.00 0.00 0.00 175.10 175.10 1of6 n SER 173 N 2.33 1.45 -3.72 3.32 7.64 -0.19 -4.86 113.62 119.59 1of6 n SER 173 Ca -0.19 -0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.43 1of6 n SER 173 Cb 0.54 1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 65.18 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 -2.91 -0.44 -0.01 1.43 5.36 -1.10 -4.12 117.98 116.18 1of6 s PHE 174 Ca -0.04 0.99 0.06 0.00 -0.96 0.00 0.00 56.93 56.98 1of6 s PHE 174 Cb 0.10 0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.89 1of6 s PHE 174 CO 0.61 -0.27 -0.18 0.20 -1.46 0.00 0.00 175.22 174.12 1of6 s GLY 175 N 1.24 1.50 -0.06 13.12 0.00 -0.14 -1.84 107.32 121.15 1of6 s GLY 175 Ca -0.09 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1of6 s GLY 175 CO -0.10 -0.90 -0.17 0.00 0.00 0.00 0.00 173.10 171.93 1of6 s ALA 176 N -0.77 2.53 -0.28 3.20 0.00 -0.42 -0.77 121.76 125.25 1of6 s ALA 176 Ca 0.12 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1of6 s ALA 176 Cb -0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1of6 s ALA 176 CO 0.02 0.50 0.07 0.42 0.00 0.00 0.00 175.76 176.77 1of6 s ILE 177 N -0.53 4.01 0.83 0.00 -1.09 1.00 -0.46 121.20 124.96 1of6 s ILE 177 Ca 0.07 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 1of6 s ILE 177 Cb -0.11 -3.00 0.09 0.00 -1.58 0.00 0.00 42.46 37.86 1of6 s ILE 177 CO 0.01 0.17 1.09 -0.83 -1.23 0.00 0.00 174.94 174.15 1of6 s GLY 178 N 1.53 1.63 0.50 6.18 0.00 -1.26 -1.87 107.32 114.03 1of6 s GLY 178 Ca 0.04 -0.10 0.24 0.00 0.00 0.00 0.00 44.72 44.90 1of6 s GLY 178 CO 0.02 0.34 1.95 0.00 0.00 0.00 0.00 173.10 175.42 1of6 h ALA 179 N -1.27 2.47 0.00 3.20 0.00 -1.78 -1.28 119.26 120.61 1of6 h ALA 179 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1of6 h ALA 179 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1of6 h ALA 179 CO 0.57 -0.67 -0.18 0.54 0.00 0.00 0.00 179.25 179.51 1of6 n ARG 180 N -4.39 0.18 -0.01 0.00 1.74 -1.26 -3.78 116.66 109.15 1of6 n ARG 180 Ca 0.13 0.12 0.02 0.00 -0.77 0.00 0.00 57.85 57.34 1of6 n ARG 180 Cb 0.67 -1.68 0.02 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.98 0.23 -0.14 0.55 -2.24 -0.55 -4.72 114.28 105.44 1of6 n THR 181 Ca 0.05 -0.61 0.13 0.00 -2.27 0.00 0.00 64.05 61.35 1of6 n THR 181 Cb 0.40 0.94 0.48 0.00 -2.10 0.00 0.00 70.33 70.06 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 0.67 0.86 0.00 4.28 2.02 -1.48 0.18 112.91 119.44 1of6 h THR 182 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1of6 h THR 182 Cb 0.24 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1of6 h THR 182 CO 0.00 0.08 -0.08 -0.62 0.37 0.00 0.00 175.52 175.28 1of6 n GLU 183 N -4.48 0.10 -2.46 6.66 1.02 -1.26 -4.70 120.64 115.51 1of6 n GLU 183 Ca 0.12 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.91 1of6 n GLU 183 Cb 0.44 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1of6 n GLU 183 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1of6 s SER 184 N -3.55 6.82 0.19 1.62 0.15 0.63 -4.92 113.70 114.63 1of6 s SER 184 Ca 0.12 1.35 -0.14 0.00 0.70 0.00 0.00 55.95 57.98 1of6 s SER 184 Cb 0.16 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 62.13 1of6 s SER 184 CO 0.58 -0.93 1.66 -0.61 1.20 0.00 0.00 173.24 175.13 1of6 h GLN 185 N 8.69 0.04 -0.99 5.44 5.75 -1.88 -0.67 115.11 131.48 1of6 h GLN 185 Ca -0.25 -0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.38 1of6 h GLN 185 Cb 1.09 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.55 1of6 h GLN 185 CO 1.01 0.02 0.63 1.25 -2.65 0.00 0.00 178.83 179.09 1of6 h LEU 186 N 0.04 0.89 -0.03 -2.39 6.46 -1.95 -0.46 115.31 117.86 1of6 h LEU 186 Ca 0.26 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.97 1of6 h LEU 186 Cb 0.40 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1of6 h LEU 186 CO -0.51 0.46 -0.47 0.45 -0.62 0.00 0.00 178.44 177.74 1of6 h HIS 187 N 0.95 0.00 -0.21 1.25 3.86 -1.63 -0.63 115.15 118.74 1of6 h HIS 187 Ca 0.50 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.59 1of6 h HIS 187 Cb 0.55 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 1of6 h HIS 187 CO -0.00 0.47 -0.33 0.00 0.86 0.00 0.00 177.93 178.93 1of6 h ARG 188 N 0.00 0.59 -0.67 2.45 3.08 0.33 -2.11 114.38 118.06 1of6 h ARG 188 Ca -0.00 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 1of6 h ARG 188 Cb 1.35 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 1of6 h ARG 188 CO 0.06 0.97 0.22 0.93 -1.07 0.00 0.00 179.97 181.08 1of6 h GLU 189 N 0.27 1.03 -0.16 0.04 5.08 -1.12 -2.30 114.58 117.41 1of6 h GLU 189 Ca 0.02 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1of6 h GLU 189 Cb 0.92 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1of6 h GLU 189 CO 0.08 0.89 -0.11 1.25 -1.00 0.00 0.00 179.01 180.12 1of6 h LEU 190 N 0.97 -0.34 -1.89 1.33 5.85 -1.04 -1.98 115.31 118.20 1of6 h LEU 190 Ca 0.22 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1of6 h LEU 190 Cb 0.28 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1of6 h LEU 190 CO -0.01 -0.14 0.14 0.00 -0.34 0.00 0.00 178.44 178.09 1of6 h ALA 191 N 1.02 2.01 0.00 1.25 0.00 -1.05 -0.75 119.26 121.74 1of6 h ALA 191 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1of6 h ALA 191 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1of6 h ALA 191 CO -0.23 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.64 1of6 h SER 192 N 0.15 0.00 -0.24 0.00 4.64 -0.80 -2.73 113.55 114.57 1of6 h SER 192 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1of6 h SER 192 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1of6 h SER 192 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1of6 n GLY 193 N -0.55 2.52 3.90 -0.77 0.00 -0.29 -1.78 105.19 108.22 1of6 n GLY 193 Ca -0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.97 4.12 -0.05 0.99 1.43 -1.03 -4.97 118.68 118.20 1of6 s LEU 194 Ca 0.17 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 1of6 s LEU 194 Cb 0.09 -3.48 0.23 0.00 0.03 0.00 0.00 46.19 43.06 1of6 s LEU 194 CO 0.12 -0.12 0.97 -1.20 0.23 0.00 0.00 176.35 176.34 1of6 n SER 195 N -0.65 2.05 -3.87 2.29 7.64 -1.26 -4.88 113.62 114.95 1of6 n SER 195 Ca -0.02 -2.19 -0.09 0.00 1.01 0.00 0.00 58.87 57.58 1of6 n SER 195 Cb 0.53 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.58 0.05 0.46 1.43 -0.12 -1.26 -5.06 117.98 111.90 1of6 s PHE 196 Ca 0.16 -0.43 -0.24 0.00 -0.05 0.00 0.00 56.93 56.37 1of6 s PHE 196 Cb 0.11 0.38 -0.07 0.00 -0.63 0.00 0.00 43.02 42.81 1of6 s PHE 196 CO 0.06 -1.02 1.34 -2.14 -0.05 0.00 0.00 175.22 173.42 1of6 s PRO 197 N -3.94 3.62 -0.11 1.99 0.02 -1.26 -4.81 135.00 130.51 1of6 s PRO 197 Ca 0.15 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.40 1of6 s PRO 197 Cb -0.02 -2.54 0.01 0.00 0.02 0.00 0.00 34.50 31.97 1of6 s PRO 197 CO 0.04 -0.79 -0.18 0.08 -0.33 0.00 0.00 177.00 175.81 1of6 s VAL 198 N -1.29 1.72 -0.19 3.83 1.01 -0.85 -0.97 120.40 123.67 1of6 s VAL 198 Ca 0.63 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1of6 s VAL 198 Cb -0.39 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1of6 s VAL 198 CO 0.49 0.49 0.12 -0.83 0.00 0.00 0.00 175.10 175.37 1of6 s GLY 199 N 0.84 2.03 -0.21 4.51 0.00 0.05 -1.39 107.32 113.15 1of6 s GLY 199 Ca -0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 1of6 s GLY 199 CO -0.00 0.10 0.03 -1.36 0.00 0.00 0.00 173.10 171.86 1of6 s PHE 200 N 0.27 3.08 0.25 1.90 0.08 -0.14 -0.00 117.98 123.42 1of6 s PHE 200 Ca 0.08 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.56 1of6 s PHE 200 Cb -0.11 -2.12 -0.09 0.00 -0.57 0.00 0.00 43.02 40.13 1of6 s PHE 200 CO -0.01 -0.20 0.77 0.15 -0.10 0.00 0.00 175.22 175.83 1of6 s LYS 201 N 1.04 4.31 1.13 0.44 1.02 -0.78 -0.94 119.74 125.96 1of6 s LYS 201 Ca 0.03 0.96 -0.12 0.00 0.02 0.00 0.00 55.97 56.85 1of6 s LYS 201 Cb -0.14 -2.84 0.26 0.00 -0.52 0.00 0.00 37.83 34.59 1of6 s LYS 201 CO 0.02 0.36 1.05 0.54 -0.92 0.00 0.00 175.35 176.40 1of6 s ASN 202 N -1.67 1.26 0.81 2.83 4.22 -0.60 -4.47 114.94 117.32 1of6 s ASN 202 Ca 0.45 1.65 -0.11 0.00 -2.14 0.00 0.00 52.86 52.71 1of6 s ASN 202 Cb -0.17 -2.36 0.08 0.00 1.28 0.00 0.00 41.25 40.08 1of6 s ASN 202 CO 0.21 -4.05 1.09 -0.83 -2.04 0.00 0.00 177.10 171.48 1of6 s GLY 203 N -2.52 1.65 0.61 0.45 0.00 -0.74 -4.40 107.32 102.37 1of6 s GLY 203 Ca 0.68 0.09 0.33 0.00 0.00 0.00 0.00 44.72 45.82 1of6 s GLY 203 CO 0.64 0.49 2.24 -0.91 0.00 0.00 0.00 173.10 175.56 1of6 h THR 204 N -1.24 0.38 0.00 0.90 1.35 -1.88 0.14 112.91 112.56 1of6 h THR 204 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1of6 h THR 204 Cb 1.25 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1of6 h THR 204 CO 0.54 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 1of6 n ASP 205 N -3.63 0.00 0.00 5.36 5.75 -1.26 -2.11 116.55 120.66 1of6 n ASP 205 Ca -0.02 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 1of6 n ASP 205 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1of6 n ASP 205 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1of6 n GLY 206 N 0.63 0.80 3.98 6.12 0.00 0.48 -2.08 105.19 115.13 1of6 n GLY 206 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.11 3.94 -0.24 2.61 -4.23 -1.26 -4.76 115.64 108.59 1of6 s THR 207 Ca 0.00 -1.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.56 1of6 s THR 207 Cb 0.00 -3.36 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 1of6 s THR 207 CO 0.00 -0.14 0.25 -0.11 -0.54 0.00 0.00 174.62 174.08 1of6 n LEU 208 N -1.64 0.23 -0.18 4.79 0.00 -1.26 -1.79 117.00 117.16 1of6 n LEU 208 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 56.01 55.63 1of6 n LEU 208 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 43.42 44.09 1of6 n LEU 208 CO 0.42 0.06 0.93 0.78 0.00 0.00 0.00 177.39 179.57 1of6 h ASN 209 N 0.00 0.05 -0.79 1.96 4.21 -1.99 -1.60 115.58 117.42 1of6 h ASN 209 Ca 0.00 0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.58 1of6 h ASN 209 Cb 0.20 0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.48 1of6 h ASN 209 CO 0.00 0.05 0.42 -0.37 -1.29 0.00 0.00 177.43 176.24 1of6 h VAL 210 N 0.28 1.24 -0.20 2.81 -1.51 -1.96 -1.33 116.25 115.58 1of6 h VAL 210 Ca 0.27 -0.63 -0.19 0.00 -1.23 0.00 0.00 66.70 64.92 1of6 h VAL 210 Cb 0.37 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1of6 h VAL 210 CO -0.34 0.28 -0.64 0.00 -1.23 0.00 0.00 177.57 175.64 1of6 h ALA 211 N 1.33 0.49 -0.14 5.19 0.00 -1.60 -1.93 119.26 122.60 1of6 h ALA 211 Ca 0.28 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1of6 h ALA 211 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1of6 h ALA 211 CO -0.04 0.69 0.07 0.28 0.00 0.00 0.00 179.25 180.25 1of6 h VAL 212 N 0.53 1.13 -0.31 0.00 2.07 -1.03 -1.45 116.25 117.19 1of6 h VAL 212 Ca -0.01 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1of6 h VAL 212 Cb 1.24 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1of6 h VAL 212 CO 0.13 0.12 0.21 0.44 0.02 0.00 0.00 177.57 178.49 1of6 h ASP 213 N 0.10 0.21 -0.00 0.57 3.32 -1.19 -1.74 116.42 117.69 1of6 h ASP 213 Ca 0.05 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1of6 h ASP 213 Cb 0.13 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1of6 h ASP 213 CO -0.01 0.14 -0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1of6 h ALA 214 N 1.83 0.00 -0.62 3.45 0.00 -1.03 -0.61 119.26 122.28 1of6 h ALA 214 Ca 0.13 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1of6 h ALA 214 Cb 0.22 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 1of6 h ALA 214 CO -0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 179.25 178.94 1of6 h GLN 216 N 0.02 0.99 -0.31 0.00 1.08 -1.23 -2.67 115.11 113.00 1of6 h GLN 216 Ca 0.30 -0.32 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 1of6 h GLN 216 Cb 0.47 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1of6 h GLN 216 CO -0.62 1.00 -0.43 0.00 -0.95 0.00 0.00 178.83 177.83 1of6 h ALA 217 N 1.04 0.67 0.00 3.87 0.00 -0.49 -3.07 119.26 121.28 1of6 h ALA 217 Ca 0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1of6 h ALA 217 Cb 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1of6 h ALA 217 CO 0.04 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.90 1of6 h ALA 218 N 0.89 1.00 0.00 0.00 0.00 -0.84 -2.51 119.26 117.82 1of6 h ALA 218 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1of6 h ALA 218 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1of6 h ALA 218 CO 0.09 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1of6 h ALA 219 N 1.95 1.00 -2.32 0.00 0.00 -1.37 0.11 119.26 118.63 1of6 h ALA 219 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1of6 h ALA 219 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1of6 h ALA 219 CO 0.01 0.00 -0.29 -1.01 0.00 0.00 0.00 179.25 177.96 1of6 s HIS 220 N -3.50 3.48 0.20 0.00 3.76 -0.95 -3.76 115.29 114.53 1of6 s HIS 220 Ca 0.02 0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.90 1of6 s HIS 220 Cb 0.09 -1.81 -0.09 0.00 1.11 0.00 0.00 32.58 31.88 1of6 s HIS 220 CO 0.42 0.28 1.31 0.45 -0.85 0.00 0.00 174.74 176.34 1of6 s SER 221 N -3.74 6.90 0.23 1.40 0.15 -1.26 -3.66 113.70 113.73 1of6 s SER 221 Ca 0.38 2.41 0.01 0.00 0.70 0.00 0.00 55.95 59.45 1of6 s SER 221 Cb -0.10 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 1of6 s SER 221 CO 0.32 -0.52 0.07 -1.00 1.20 0.00 0.00 173.24 173.30 1of6 s HIS 222 N 0.05 1.43 -0.24 3.44 3.76 -1.25 -4.94 115.29 117.53 1of6 s HIS 222 Ca 0.56 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 1of6 s HIS 222 Cb -0.36 -0.83 0.06 0.00 1.11 0.00 0.00 32.58 32.56 1of6 s HIS 222 CO 0.39 -0.30 -0.09 -1.01 -0.85 0.00 0.00 174.74 172.88 1of6 s HIS 223 N -3.73 2.84 0.23 1.40 3.76 -1.26 -0.94 115.29 117.59 1of6 s HIS 223 Ca 0.33 -2.03 0.11 0.00 -0.15 0.00 0.00 55.06 53.32 1of6 s HIS 223 Cb 0.07 -1.76 -0.05 0.00 1.11 0.00 0.00 32.58 31.95 1of6 s HIS 223 CO 0.10 -0.83 -0.20 -0.59 -0.85 0.00 0.00 174.74 172.38 1of6 s PHE 224 N 1.25 2.11 -0.76 1.40 -0.12 -0.25 -4.89 117.98 116.72 1of6 s PHE 224 Ca -0.07 -0.40 -0.23 0.00 -0.05 0.00 0.00 56.93 56.18 1of6 s PHE 224 Cb -0.19 -0.98 0.07 0.00 -0.63 0.00 0.00 43.02 41.29 1of6 s PHE 224 CO -0.06 0.54 1.10 -1.64 -0.05 0.00 0.00 175.22 175.11 1of6 s MET 225 N -3.21 3.26 0.00 1.99 -1.94 -1.26 0.05 119.30 118.19 1of6 s MET 225 Ca 0.24 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1of6 s MET 225 Cb -0.05 -4.46 0.00 0.00 2.01 0.00 0.00 34.83 32.33 1of6 s MET 225 CO 0.11 -1.91 0.00 0.41 -0.01 0.00 0.00 175.02 173.62 1of6 n GLY 226 N 5.53 3.26 3.36 -0.03 0.00 -0.86 -4.92 105.19 111.52 1of6 n GLY 226 Ca 0.06 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 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 1.19 2.08 0.97 1.61 -7.23 -1.26 -1.91 120.40 115.85 1of6 s VAL 227 Ca 0.00 -1.68 -0.16 0.00 -1.81 0.00 0.00 61.98 58.33 1of6 s VAL 227 Cb 0.00 -1.86 0.20 0.00 0.56 0.00 0.00 36.38 35.29 1of6 s VAL 227 CO 0.00 0.05 1.31 0.42 -0.31 0.00 0.00 175.10 176.57 1of6 s THR 228 N -1.08 1.99 0.24 5.32 -4.23 -0.31 -4.91 115.64 112.65 1of6 s THR 228 Ca 0.12 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.90 1of6 s THR 228 Cb -0.10 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.04 1of6 s THR 228 CO 0.05 0.00 1.94 0.11 -0.54 0.00 0.00 174.62 176.19 1of6 h LYS 229 N -1.67 0.00 -0.66 3.99 1.79 -1.96 -2.38 116.57 115.67 1of6 h LYS 229 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1of6 h LYS 229 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1of6 h LYS 229 CO 0.38 0.16 0.00 0.72 -1.08 0.00 0.00 179.45 179.63 1of6 n HIS 230 N -3.41 0.99 -0.73 -1.35 8.25 -1.26 -0.52 115.22 117.20 1of6 n HIS 230 Ca -0.01 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 1of6 n HIS 230 Cb 0.34 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.45 1.00 3.40 -1.41 0.00 -0.90 -4.89 105.19 103.85 1of6 n GLY 231 Ca 0.23 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1of6 n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of6 s VAL 232 N -2.00 2.63 0.30 1.61 0.11 -1.26 -4.88 120.40 116.92 1of6 s VAL 232 Ca 0.00 -0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 1of6 s VAL 232 Cb 0.00 -1.99 -0.12 0.00 -1.53 0.00 0.00 36.38 32.74 1of6 s VAL 232 CO 0.00 0.58 1.56 0.00 -3.33 0.00 0.00 175.10 173.91 1of6 n ALA 233 N 2.46 2.36 -3.06 1.54 0.00 -1.26 -1.16 120.51 121.39 1of6 n ALA 233 Ca -0.17 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1of6 n ALA 233 Cb 0.52 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 1of6 n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1of6 s ALA 234 N -0.19 -0.78 -0.32 0.00 0.00 -0.80 -4.92 121.76 114.74 1of6 s ALA 234 Ca 0.63 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1of6 s ALA 234 Cb -0.51 0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1of6 s ALA 234 CO 0.51 -0.42 1.29 0.42 0.00 0.00 0.00 175.76 177.56 1of6 s ILE 235 N -2.48 4.15 -0.25 0.00 1.01 -1.26 -2.03 121.20 120.34 1of6 s ILE 235 Ca -0.05 1.28 -0.07 0.00 0.00 0.00 0.00 60.65 61.81 1of6 s ILE 235 Cb -0.01 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1of6 s ILE 235 CO -0.03 -0.53 0.05 -0.89 0.00 0.00 0.00 174.94 173.54 1of6 s THR 236 N 4.43 4.05 -0.18 2.92 2.01 0.11 -4.95 115.64 124.03 1of6 s THR 236 Ca 0.55 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 1of6 s THR 236 Cb -0.15 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1of6 s THR 236 CO 0.24 0.30 0.10 -0.89 -0.69 0.00 0.00 174.62 173.68 1of6 s THR 237 N 1.56 5.15 0.31 -0.82 2.01 -1.26 -1.09 115.64 121.51 1of6 s THR 237 Ca 0.06 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.23 1of6 s THR 237 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1of6 s THR 237 CO 0.02 0.47 0.11 0.42 -0.69 0.00 0.00 174.62 174.95 1of6 s THR 238 N 0.23 3.25 -0.26 -0.82 -4.23 -0.11 -4.98 115.64 108.71 1of6 s THR 238 Ca 0.07 -1.73 0.23 0.00 -1.18 0.00 0.00 61.69 59.08 1of6 s THR 238 Cb -0.12 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1of6 s THR 238 CO -0.01 -0.25 0.99 2.29 -0.54 0.00 0.00 174.62 177.10 1of6 n LYS 239 N -1.09 0.57 0.00 3.99 2.85 -1.26 -3.97 118.16 119.25 1of6 n LYS 239 Ca -0.04 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1of6 n LYS 239 Cb 0.60 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1of6 n LYS 239 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1of6 n GLY 240 N 1.22 0.92 3.13 2.58 0.00 -0.73 -4.00 105.19 108.29 1of6 n GLY 240 Ca -0.00 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.63 3.64 0.00 1.61 3.84 0.40 -4.88 114.94 118.93 1of6 s ASN 241 Ca 0.00 -0.85 0.25 0.00 0.21 0.00 0.00 52.86 52.47 1of6 s ASN 241 Cb 0.00 -1.53 0.61 0.00 -0.55 0.00 0.00 41.25 39.77 1of6 s ASN 241 CO 0.00 -0.06 1.49 -1.84 -2.79 0.00 0.00 177.10 173.90 1of6 n GLU 242 N 4.59 2.04 -1.39 0.43 0.00 -1.26 -3.64 120.64 121.40 1of6 n GLU 242 Ca -0.19 -1.53 -0.24 0.00 0.00 0.00 0.00 57.16 55.21 1of6 n GLU 242 Cb 0.48 -1.46 0.10 0.00 0.00 0.00 0.00 31.44 30.56 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 0.81 2.59 -3.78 -1.84 8.25 -1.26 -4.90 115.22 115.08 1of6 n HIS 243 Ca 0.17 -2.34 -0.36 0.00 -0.26 0.00 0.00 57.72 54.93 1of6 n HIS 243 Cb 0.47 -0.86 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.18 1.20 -0.12 0.00 -0.71 -0.48 -4.51 117.98 112.19 1of6 s PHE 245 Ca 0.23 -1.37 -0.10 0.00 -1.04 0.00 0.00 56.93 54.65 1of6 s PHE 245 Cb -0.13 -0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 41.17 1of6 s PHE 245 CO 0.12 -0.78 0.22 0.08 -1.34 0.00 0.00 175.22 173.51 1of6 s VAL 246 N -3.87 5.36 -0.16 -2.49 1.01 -1.26 -0.97 120.40 118.02 1of6 s VAL 246 Ca 0.37 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1of6 s VAL 246 Cb 0.04 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1of6 s VAL 246 CO 0.16 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 175.13 1of6 s ILE 247 N -0.54 3.77 -0.26 2.22 1.01 -0.12 -1.61 121.20 125.67 1of6 s ILE 247 Ca 0.16 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1of6 s ILE 247 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1of6 s ILE 247 CO 0.05 0.48 0.29 -0.76 0.00 0.00 0.00 174.94 175.00 1of6 s LEU 248 N 0.50 4.06 0.00 2.97 1.43 -0.16 -1.55 118.68 125.93 1of6 s LEU 248 Ca -0.04 0.20 0.13 0.00 -1.03 0.00 0.00 54.13 53.39 1of6 s LEU 248 Cb -0.14 -2.29 0.21 0.00 0.03 0.00 0.00 46.19 43.99 1of6 s LEU 248 CO 0.03 -0.09 1.06 -2.11 0.23 0.00 0.00 176.35 175.46 1of6 n ARG 249 N 5.00 0.00 0.00 1.70 -4.01 -1.26 -0.73 116.66 117.36 1of6 n ARG 249 Ca -0.11 -1.44 0.00 0.00 -1.04 0.00 0.00 57.85 55.26 1of6 n ARG 249 Cb 0.51 -0.17 0.00 0.00 -3.04 0.00 0.00 32.46 29.76 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 0.24 -1.35 0.00 2.89 0.00 -1.26 -1.36 105.19 104.35 1of6 n GLY 250 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.02 0.33 -0.02 0.00 -1.20 -3.95 105.19 100.36 1of6 n GLY 251 Ca 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.13 0.00 1.61 1.79 -1.48 -1.43 116.57 118.18 1of6 h LYS 252 Ca 0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1of6 h LYS 252 Cb 0.00 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1of6 h LYS 252 CO 0.00 0.98 0.00 1.17 -1.08 0.00 0.00 179.45 180.52 1of6 n LYS 253 N -4.24 0.16 0.00 3.15 4.81 -0.88 -4.97 118.16 116.19 1of6 n LYS 253 Ca 0.05 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1of6 n LYS 253 Cb 0.25 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1of6 n LYS 253 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1of6 n GLY 254 N -0.63 1.59 3.59 3.14 0.00 -0.54 -5.04 105.19 107.29 1of6 n GLY 254 Ca 0.00 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 1of6 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1of6 n THR 255 N -1.26 1.96 -2.72 2.61 -2.24 -1.26 -3.24 114.28 108.12 1of6 n THR 255 Ca 0.00 -0.29 0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1of6 n THR 255 Cb 0.00 -1.01 0.05 0.00 -2.10 0.00 0.00 70.33 67.27 1of6 n THR 255 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1of6 n ASN 256 N -1.96 1.11 -0.21 3.42 0.23 -1.26 -4.89 115.26 111.70 1of6 n ASN 256 Ca 0.12 -2.03 0.11 0.00 -0.53 0.00 0.00 54.58 52.25 1of6 n ASN 256 Cb 0.50 -0.32 0.06 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.41 0.00 -2.28 -2.53 0.18 -1.26 -4.44 117.16 106.42 1of6 n TYR 257 Ca 0.04 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.57 1of6 n TYR 257 Cb 0.88 -0.06 0.07 0.00 -0.38 0.00 0.00 39.34 39.85 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 -2.74 4.84 0.34 9.48 -4.77 -1.26 -4.58 116.67 117.98 1of6 s ASP 258 Ca 0.15 0.35 0.10 0.00 -3.30 0.00 0.00 52.55 49.85 1of6 s ASP 258 Cb 0.17 -1.02 0.59 0.00 -1.09 0.00 0.00 42.92 41.58 1of6 s ASP 258 CO 0.68 -1.56 1.77 0.00 0.70 0.00 0.00 175.17 176.76 1of6 h ALA 259 N -0.51 1.25 -0.46 2.11 0.00 -1.95 0.23 119.26 119.93 1of6 h ALA 259 Ca -0.44 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 1of6 h ALA 259 Cb 1.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1of6 h ALA 259 CO 0.58 0.53 -0.20 -0.22 0.00 0.00 0.00 179.25 179.95 1of6 h LYS 260 N 0.09 0.92 -0.10 0.00 3.64 -1.99 -1.39 116.57 117.74 1of6 h LYS 260 Ca 0.01 -0.37 -0.22 0.00 -1.27 0.00 0.00 60.65 58.80 1of6 h LYS 260 Cb 0.74 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1of6 h LYS 260 CO 0.06 1.03 -0.81 0.77 -2.27 0.00 0.00 179.45 178.22 1of6 h SER 261 N 0.80 0.78 -0.31 4.20 0.02 -1.67 -2.26 113.55 115.12 1of6 h SER 261 Ca 0.11 -0.54 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 1of6 h SER 261 Cb 0.75 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1of6 h SER 261 CO 0.06 1.32 0.08 0.58 -1.14 0.00 0.00 176.83 177.73 1of6 h VAL 262 N 0.43 1.21 -0.77 2.27 2.07 -0.96 -0.55 116.25 119.96 1of6 h VAL 262 Ca -0.06 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1of6 h VAL 262 Cb 1.43 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1of6 h VAL 262 CO 0.16 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.36 1of6 h ALA 263 N 0.91 0.99 -0.27 1.67 0.00 -1.17 -1.05 119.26 120.33 1of6 h ALA 263 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1of6 h ALA 263 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1of6 h ALA 263 CO -0.00 0.54 -0.17 1.05 0.00 0.00 0.00 179.25 180.66 1of6 h GLU 264 N 1.07 0.48 -0.01 0.00 4.11 -1.35 -2.17 114.58 116.72 1of6 h GLU 264 Ca 0.26 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 59.56 1of6 h GLU 264 Cb 0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1of6 h GLU 264 CO -0.04 0.64 -0.10 0.00 0.07 0.00 0.00 179.01 179.59 1of6 h ALA 265 N 1.38 -0.09 -0.50 1.06 0.00 -0.71 -3.17 119.26 117.23 1of6 h ALA 265 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1of6 h ALA 265 Cb 0.56 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1of6 h ALA 265 CO 0.04 -0.58 0.28 0.87 0.00 0.00 0.00 179.25 179.85 1of6 h LYS 266 N -0.16 0.68 0.00 0.00 1.57 -1.00 -2.26 116.57 115.39 1of6 h LYS 266 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1of6 h LYS 266 Cb 0.21 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1of6 h LYS 266 CO -0.11 0.50 -0.11 0.00 -0.57 0.00 0.00 179.45 179.16 1of6 h ALA 267 N 1.62 1.01 0.00 3.86 0.00 -1.40 -2.66 119.26 121.69 1of6 h ALA 267 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1of6 h ALA 267 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1of6 h ALA 267 CO -0.03 0.13 -0.20 1.96 0.00 0.00 0.00 179.25 181.11 1of6 h GLN 268 N 0.00 0.00 -6.82 0.00 4.20 -1.38 -3.47 115.11 107.63 1of6 h GLN 268 Ca -0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1of6 h GLN 268 Cb 0.67 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.47 1of6 h GLN 268 CO 0.01 0.00 0.49 -0.51 -0.67 0.00 0.00 178.83 178.16 1of6 s LEU 269 N -5.45 4.52 0.60 1.46 1.43 -1.00 -5.04 118.68 115.20 1of6 s LEU 269 Ca 0.07 2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 55.46 1of6 s LEU 269 Cb 0.08 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1of6 s LEU 269 CO 0.67 -0.21 0.86 -2.16 0.23 0.00 0.00 176.35 175.74 1of6 s PRO 270 N -1.54 2.42 0.22 1.29 0.04 -1.26 -5.01 135.00 131.16 1of6 s PRO 270 Ca 0.46 -0.60 -0.32 0.00 0.04 0.00 0.00 61.00 60.58 1of6 s PRO 270 Cb -0.32 -2.38 -0.14 0.00 0.04 0.00 0.00 34.50 31.70 1of6 s PRO 270 CO 0.42 -0.90 1.28 0.00 0.04 0.00 0.00 177.00 177.84 1of6 n ALA 271 N -2.54 0.23 -0.01 8.56 0.00 -1.26 -2.21 120.51 123.28 1of6 n ALA 271 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1of6 n ALA 271 Cb 0.60 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.01 0.26 3.75 0.00 0.00 -1.26 -5.05 105.19 104.90 1of6 n GLY 272 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1of6 n GLY 272 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1of6 s SER 273 N -2.45 7.25 0.76 1.61 0.15 -0.94 -5.04 113.70 115.04 1of6 s SER 273 Ca 0.00 2.21 -0.08 0.00 0.70 0.00 0.00 55.95 58.79 1of6 s SER 273 Cb 0.00 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.79 1of6 s SER 273 CO 0.00 -0.19 1.08 0.20 1.20 0.00 0.00 173.24 175.53 1of6 s ASN 274 N -0.54 4.39 0.75 5.45 0.01 -1.26 -5.02 114.94 118.71 1of6 s ASN 274 Ca 0.47 0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 52.81 1of6 s ASN 274 Cb -0.31 -0.79 0.04 0.00 0.41 0.00 0.00 41.25 40.60 1of6 s ASN 274 CO 0.39 -1.88 1.10 -0.83 -1.51 0.00 0.00 177.10 174.36 1of6 s GLY 275 N -4.63 1.63 0.25 0.66 0.00 -0.41 -4.86 107.32 99.96 1of6 s GLY 275 Ca 0.64 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 44.96 1of6 s GLY 275 CO 0.46 0.13 0.63 1.08 0.00 0.00 0.00 173.10 175.41 1of6 s LEU 276 N -5.58 4.17 0.06 0.66 1.43 -0.51 -4.44 118.68 114.47 1of6 s LEU 276 Ca 0.60 1.12 0.07 0.00 -1.03 0.00 0.00 54.13 54.88 1of6 s LEU 276 Cb -0.13 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1of6 s LEU 276 CO 0.53 -0.09 -0.14 -0.32 0.23 0.00 0.00 176.35 176.56 1of6 s MET 277 N -2.68 2.12 -0.22 1.70 -2.45 -0.63 -1.30 119.30 115.84 1of6 s MET 277 Ca 0.48 -0.98 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1of6 s MET 277 Cb -0.12 -2.26 0.03 0.00 1.25 0.00 0.00 34.83 33.73 1of6 s MET 277 CO 0.19 0.53 -0.13 0.42 1.05 0.00 0.00 175.02 177.09 1of6 s ILE 278 N -1.05 2.40 -0.38 10.11 1.01 0.20 -0.98 121.20 132.51 1of6 s ILE 278 Ca 0.17 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 1of6 s ILE 278 Cb -0.11 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.19 1of6 s ILE 278 CO 0.09 0.27 1.21 -0.62 0.00 0.00 0.00 174.94 175.89 1of6 s ASP 279 N 1.26 6.67 0.55 3.58 2.15 0.09 -0.24 116.67 130.74 1of6 s ASP 279 Ca -0.00 0.86 0.32 0.00 0.43 0.00 0.00 52.55 54.16 1of6 s ASP 279 Cb -0.16 -2.54 1.59 0.00 -0.30 0.00 0.00 42.92 41.51 1of6 s ASP 279 CO -0.08 -1.14 2.10 1.88 -0.17 0.00 0.00 175.17 177.76 1of6 h TYR 280 N 9.18 0.00 -3.34 -5.34 -1.99 -1.54 -3.40 116.97 110.53 1of6 h TYR 280 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1of6 h TYR 280 Cb 1.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.81 1of6 h TYR 280 CO 0.91 0.08 0.00 0.45 -0.00 0.00 0.00 178.16 179.60 1of6 n SER 281 N -3.40 0.18 0.00 3.88 2.88 -1.26 -3.47 113.62 112.43 1of6 n SER 281 Ca -0.01 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 1of6 n SER 281 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1of6 n SER 281 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1of6 n HIS 282 N -0.31 0.00 0.28 0.66 8.25 -1.26 -1.31 115.22 121.52 1of6 n HIS 282 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1of6 n HIS 282 Cb 0.00 0.00 0.72 0.00 1.12 0.00 0.00 29.99 31.83 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 0.33 -1.41 0.00 -1.54 -2.45 103.07 97.99 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 -0.09 0.70 0.00 0.00 0.00 176.54 177.15 1of6 n ASN 284 N -3.14 0.86 -0.04 0.19 3.02 -0.43 -3.25 115.26 112.46 1of6 n ASN 284 Ca 0.00 -1.01 0.03 0.00 -0.03 0.00 0.00 54.58 53.57 1of6 n ASN 284 Cb 0.29 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.30 1of6 n ASN 284 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1of6 n SER 285 N -0.52 0.04 -3.12 6.41 7.64 -0.93 -4.81 113.62 118.32 1of6 n SER 285 Ca 0.17 0.02 -0.15 0.00 1.01 0.00 0.00 58.87 59.92 1of6 n SER 285 Cb 0.29 1.56 0.08 0.00 -1.01 0.00 0.00 64.21 65.13 1of6 n SER 285 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1of6 n ASN 286 N -2.46 -2.39 -0.19 6.43 5.15 -1.18 -2.78 115.26 117.84 1of6 n ASN 286 Ca -0.15 -0.55 -0.02 0.00 -0.60 0.00 0.00 54.58 53.26 1of6 n ASN 286 Cb 0.79 -4.57 -0.01 0.00 -0.53 0.00 0.00 39.78 35.46 1of6 n ASN 286 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1of6 n LYS 287 N -3.68 -0.94 -3.54 1.20 4.01 -1.26 -4.96 118.16 108.99 1of6 n LYS 287 Ca -0.24 0.39 -0.20 0.00 -0.51 0.00 0.00 58.31 57.76 1of6 n LYS 287 Cb 0.65 -4.19 -0.14 0.00 -0.51 0.00 0.00 35.03 30.83 1of6 n LYS 287 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1of6 s ASP 288 N -2.21 1.53 0.55 4.39 -1.08 -1.12 -5.01 116.67 113.73 1of6 s ASP 288 Ca 0.00 -0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.01 1of6 s ASP 288 Cb 0.00 0.23 1.51 0.00 -1.46 0.00 0.00 42.92 43.20 1of6 s ASP 288 CO 0.00 -0.32 2.15 2.19 0.52 0.00 0.00 175.17 179.70 1of6 h PHE 289 N 8.34 0.00 0.00 -5.34 -0.00 -1.85 -0.95 116.94 117.15 1of6 h PHE 289 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.81 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 178.31 178.48 1of6 h ARG 290 N 0.00 0.00 0.00 6.09 3.08 -1.93 -2.23 114.38 119.40 1of6 h ARG 290 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1of6 h ARG 290 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1of6 h ARG 290 CO -0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1of6 n ASN 291 N -2.82 0.34 -0.03 7.04 3.02 -0.36 -3.87 115.26 118.58 1of6 n ASN 291 Ca -0.01 0.58 -0.12 0.00 -0.03 0.00 0.00 54.58 55.00 1of6 n ASN 291 Cb 0.14 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.59 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 0.18 -0.42 3.52 4.20 -1.59 -1.02 115.11 119.97 1of6 h GLN 292 Ca 0.00 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.78 1of6 h GLN 292 Cb 0.35 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1of6 h GLN 292 CO 0.00 0.40 0.33 -1.35 -0.67 0.00 0.00 178.83 177.53 1of6 h PRO 293 N -0.07 0.00 0.00 1.46 0.11 -1.81 -0.53 132.00 131.16 1of6 h PRO 293 Ca 0.03 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.91 1of6 h PRO 293 Cb 0.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 1of6 h PRO 293 CO 0.00 0.00 -1.17 0.87 -0.21 0.00 0.00 178.00 177.49 1of6 h LYS 294 N 0.00 0.00 -0.47 1.05 1.57 -1.44 -1.54 116.57 115.74 1of6 h LYS 294 Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1of6 h LYS 294 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1of6 h LYS 294 CO -0.00 0.86 0.16 0.28 -0.57 0.00 0.00 179.45 180.18 1of6 h VAL 295 N 0.00 1.22 -0.16 0.50 2.07 -0.63 -2.51 116.25 116.75 1of6 h VAL 295 Ca -0.08 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.76 1of6 h VAL 295 Cb 1.82 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1of6 h VAL 295 CO 0.12 0.27 -0.21 -1.13 0.02 0.00 0.00 177.57 176.63 1of6 h ASN 296 N 0.63 -0.66 -0.31 0.57 -1.24 -0.77 -0.69 115.58 113.11 1of6 h ASN 296 Ca 0.15 0.11 0.07 0.00 0.71 0.00 0.00 56.30 57.35 1of6 h ASN 296 Cb 0.25 0.30 -0.07 0.00 0.73 0.00 0.00 38.32 39.54 1of6 h ASN 296 CO -0.01 -0.26 -0.14 0.44 -1.29 0.00 0.00 177.43 176.18 1of6 h ASP 297 N -0.25 -0.46 -0.61 1.15 3.32 -1.26 0.32 116.42 118.62 1of6 h ASP 297 Ca 0.11 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1of6 h ASP 297 Cb 0.42 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1of6 h ASP 297 CO -0.30 -0.17 0.39 0.58 -1.72 0.00 0.00 179.24 178.02 1of6 h VAL 298 N -0.08 1.17 -0.03 -1.35 2.07 -1.04 -0.63 116.25 116.35 1of6 h VAL 298 Ca 0.16 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1of6 h VAL 298 Cb 0.33 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1of6 h VAL 298 CO -0.37 0.16 -0.00 0.58 0.02 0.00 0.00 177.57 177.96 1of6 h VAL 299 N 0.83 1.27 -0.65 2.57 2.07 -0.73 -2.90 116.25 118.71 1of6 h VAL 299 Ca 0.22 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 67.02 1of6 h VAL 299 Cb -0.07 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1of6 h VAL 299 CO -0.05 0.22 0.28 0.00 0.02 0.00 0.00 177.57 178.04 1of6 h GLU 301 N 0.48 0.65 -0.11 0.00 4.81 -1.03 -0.87 114.58 118.52 1of6 h GLU 301 Ca 0.32 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.32 1of6 h GLU 301 Cb 0.37 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1of6 h GLU 301 CO -0.29 0.43 -0.75 1.96 -0.73 0.00 0.00 179.01 179.64 1of6 h GLN 302 N 0.67 0.54 -0.13 1.92 4.20 -0.92 -2.73 115.11 118.67 1of6 h GLN 302 Ca 0.44 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1of6 h GLN 302 Cb 0.56 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1of6 h GLN 302 CO -0.33 1.07 0.08 0.82 -0.67 0.00 0.00 178.83 179.80 1of6 h ILE 303 N 0.37 1.06 0.00 2.54 2.04 -1.14 0.20 117.51 122.59 1of6 h ILE 303 Ca -0.04 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1of6 h ILE 303 Cb 1.34 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1of6 h ILE 303 CO 0.14 0.06 -0.17 0.00 0.00 0.00 0.00 178.15 178.17 1of6 h ALA 304 N 1.01 1.16 -0.48 1.87 0.00 -1.16 -2.66 119.26 119.01 1of6 h ALA 304 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1of6 h ALA 304 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1of6 h ALA 304 CO -0.01 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.54 1of6 n ASN 305 N -3.53 4.09 0.00 0.00 3.02 -1.03 -4.14 115.26 113.67 1of6 n ASN 305 Ca -0.01 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 1of6 n ASN 305 Cb 0.32 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.79 1.13 3.56 7.41 0.00 -1.00 -5.05 105.19 112.02 1of6 n GLY 306 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 2.88 0.00 1.61 2.56 0.71 -4.84 118.70 120.90 1of6 s GLU 307 Ca 0.00 0.44 0.29 0.00 0.00 0.00 0.00 54.97 55.70 1of6 s GLU 307 Cb 0.00 -4.30 1.26 0.00 2.00 0.00 0.00 34.13 33.09 1of6 s GLU 307 CO 0.00 -2.45 1.88 0.09 -0.56 0.00 0.00 175.26 174.22 1of6 n ASN 308 N 11.45 0.45 0.13 -1.70 3.02 -1.26 -3.86 115.26 123.49 1of6 n ASN 308 Ca 0.15 -0.58 0.12 0.00 -0.03 0.00 0.00 54.58 54.25 1of6 n ASN 308 Cb 0.51 -0.08 0.28 0.00 -0.61 0.00 0.00 39.78 39.87 1of6 n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1of6 h ALA 309 N 3.63 0.91 -1.86 5.41 0.00 -1.96 -3.41 119.26 121.98 1of6 h ALA 309 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1of6 h ALA 309 Cb 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.96 1of6 h ALA 309 CO 0.00 0.00 0.24 0.42 0.00 0.00 0.00 179.25 179.91 1of6 s ILE 310 N -3.16 4.68 -0.99 0.00 1.01 -1.25 -1.42 121.20 120.06 1of6 s ILE 310 Ca 0.08 -0.70 0.20 0.00 0.00 0.00 0.00 60.65 60.23 1of6 s ILE 310 Cb 0.10 -4.52 -0.20 0.00 0.01 0.00 0.00 42.46 37.85 1of6 s ILE 310 CO 0.65 -1.17 0.85 0.35 0.00 0.00 0.00 174.94 175.62 1of6 n THR 311 N 5.68 0.00 -3.76 2.92 -2.24 -0.42 -4.97 114.28 111.50 1of6 n THR 311 Ca -0.07 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1of6 n THR 311 Cb 0.44 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 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 -2.83 -0.10 0.06 3.38 0.00 -0.91 -0.20 107.32 106.72 1of6 s GLY 312 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.71 1of6 s GLY 312 CO 0.79 -0.33 -0.08 -1.34 0.00 0.00 0.00 173.10 172.14 1of6 s VAL 313 N -2.97 0.64 0.02 1.40 -7.23 -0.49 -0.62 120.40 111.15 1of6 s VAL 313 Ca -0.02 -1.38 0.09 0.00 -1.81 0.00 0.00 61.98 58.86 1of6 s VAL 313 Cb 0.01 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1of6 s VAL 313 CO -0.06 -0.53 -0.26 -0.32 -0.31 0.00 0.00 175.10 173.62 1of6 s MET 314 N -2.33 1.88 -0.03 4.82 -2.45 0.67 -0.83 119.30 121.03 1of6 s MET 314 Ca -0.02 -1.04 0.00 0.00 -1.25 0.00 0.00 55.69 53.38 1of6 s MET 314 Cb -0.05 -1.97 0.02 0.00 1.25 0.00 0.00 34.83 34.08 1of6 s MET 314 CO -0.01 0.52 0.00 0.42 1.05 0.00 0.00 175.02 177.00 1of6 s ILE 315 N -0.73 0.16 -0.33 10.11 1.01 -0.43 -1.45 121.20 129.54 1of6 s ILE 315 Ca 0.11 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1of6 s ILE 315 Cb -0.10 -0.25 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 1of6 s ILE 315 CO 0.01 0.13 0.69 -1.61 0.00 0.00 0.00 174.94 174.16 1of6 s GLU 316 N 0.91 3.83 -0.04 2.79 2.02 -1.26 -1.94 118.70 125.01 1of6 s GLU 316 Ca -0.09 0.30 -0.14 0.00 0.02 0.00 0.00 54.97 55.06 1of6 s GLU 316 Cb -0.12 -3.76 0.03 0.00 0.10 0.00 0.00 34.13 30.37 1of6 s GLU 316 CO -0.02 -0.69 0.32 0.45 0.02 0.00 0.00 175.26 175.35 1of6 s SER 317 N 1.71 -0.24 0.32 -0.19 0.15 0.16 -1.91 113.70 113.69 1of6 s SER 317 Ca 0.28 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 1of6 s SER 317 Cb -0.14 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1of6 s SER 317 CO 0.14 -0.36 0.45 0.21 1.20 0.00 0.00 173.24 174.87 1of6 s ASN 318 N -0.94 0.69 0.12 5.45 3.84 -0.61 -0.45 114.94 123.04 1of6 s ASN 318 Ca -0.10 -1.39 -0.25 0.00 0.21 0.00 0.00 52.86 51.33 1of6 s ASN 318 Cb -0.04 0.63 -0.06 0.00 -0.55 0.00 0.00 41.25 41.22 1of6 s ASN 318 CO 0.03 -1.23 1.66 0.40 -2.79 0.00 0.00 177.10 175.17 1of6 h ILE 319 N 2.17 0.54 -2.70 -5.21 2.04 -1.87 -1.22 117.51 111.27 1of6 h ILE 319 Ca -0.28 0.00 -0.60 0.00 1.00 0.00 0.00 64.86 64.97 1of6 h ILE 319 Cb 1.24 0.54 -0.13 0.00 -0.74 0.00 0.00 36.82 37.73 1of6 h ILE 319 CO 0.39 0.00 -0.70 0.20 0.00 0.00 0.00 178.15 178.04 1of6 s ASN 320 N -4.94 4.30 0.68 1.72 0.01 -0.56 -2.16 114.94 114.00 1of6 s ASN 320 Ca -0.15 -0.63 -0.07 0.00 -0.71 0.00 0.00 52.86 51.30 1of6 s ASN 320 Cb 0.09 -0.73 0.05 0.00 0.41 0.00 0.00 41.25 41.06 1of6 s ASN 320 CO 0.66 0.07 1.00 -1.83 -1.51 0.00 0.00 177.10 175.49 1of6 s GLU 321 N -3.14 2.37 1.49 -0.60 -1.05 -1.26 -4.41 118.70 112.09 1of6 s GLU 321 Ca 0.27 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 1of6 s GLU 321 Cb -0.08 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 1of6 s GLU 321 CO 0.17 -1.12 0.00 0.41 0.95 0.00 0.00 175.26 175.66 1of6 n GLY 322 N -2.86 -1.74 0.00 -3.83 0.00 0.20 -4.87 105.19 92.09 1of6 n GLY 322 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1of6 n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1of6 n ASN 323 N 0.34 0.00 -3.59 1.61 0.23 -1.26 -2.09 115.26 110.50 1of6 n ASN 323 Ca 0.00 -0.83 -0.14 0.00 -0.53 0.00 0.00 54.58 53.07 1of6 n ASN 323 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1of6 n ASN 323 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1of6 s GLN 324 N -1.50 0.85 0.72 -3.83 -2.07 -0.89 -4.93 119.66 108.01 1of6 s GLN 324 Ca 0.00 0.67 -0.12 0.00 -1.82 0.00 0.00 55.36 54.09 1of6 s GLN 324 Cb 0.00 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.36 1of6 s GLN 324 CO 0.00 -0.17 1.09 0.20 -1.32 0.00 0.00 175.29 175.09 1of6 s GLY 325 N -0.22 1.80 -0.29 2.60 0.00 -1.26 -4.39 107.32 105.56 1of6 s GLY 325 Ca -0.03 0.29 -0.25 0.00 0.00 0.00 0.00 44.72 44.74 1of6 s GLY 325 CO 0.03 0.63 0.85 -0.42 0.00 0.00 0.00 173.10 174.19 1of6 s ILE 326 N -2.79 4.75 0.65 0.90 1.01 -1.26 -5.01 121.20 119.44 1of6 s ILE 326 Ca 0.62 1.37 -0.11 0.00 0.00 0.00 0.00 60.65 62.53 1of6 s ILE 326 Cb -0.17 -4.19 0.15 0.00 0.01 0.00 0.00 42.46 38.26 1of6 s ILE 326 CO 0.52 -0.25 0.88 -0.81 0.00 0.00 0.00 174.94 175.28 1of6 n PRO 327 N 6.28 -0.84 -0.03 2.79 -0.04 -1.26 -4.92 135.00 136.98 1of6 n PRO 327 Ca 0.06 -1.38 -0.16 0.00 -0.04 0.00 0.00 63.50 61.97 1of6 n PRO 327 Cb 0.48 -0.90 -0.08 0.00 -0.04 0.00 0.00 33.50 32.96 1of6 n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1of6 h ALA 328 N -1.82 0.23 -0.67 0.55 0.00 -1.99 -2.47 119.26 113.08 1of6 h ALA 328 Ca -0.28 -0.51 0.19 0.00 0.00 0.00 0.00 54.91 54.31 1of6 h ALA 328 Cb 0.79 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1of6 h ALA 328 CO 0.20 0.42 0.91 -1.91 0.00 0.00 0.00 179.25 178.88 1of6 n GLU 329 N -4.20 0.01 0.00 0.00 2.13 -1.26 -4.94 120.64 112.38 1of6 n GLU 329 Ca -0.08 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1of6 n GLU 329 Cb 0.61 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1of6 n GLU 329 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1of6 n GLY 330 N -1.46 -1.23 0.32 8.31 0.00 -0.93 -4.07 105.19 106.13 1of6 n GLY 330 Ca 0.15 -1.25 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.09 -0.08 0.33 1.61 0.00 -1.24 -1.24 118.16 117.45 1of6 n LYS 331 Ca 0.00 1.37 0.21 0.00 0.00 0.00 0.00 58.31 59.89 1of6 n LYS 331 Cb 0.00 -2.10 1.12 0.00 0.00 0.00 0.00 35.03 34.05 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 1.79 1.14 -0.64 3.14 0.00 -1.93 -2.18 119.26 120.58 1of6 h ALA 332 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1of6 h ALA 332 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1of6 h ALA 332 CO -0.89 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 178.71 1of6 n GLY 333 N -1.14 2.75 3.77 0.00 0.00 -0.37 -4.99 105.19 105.21 1of6 n GLY 333 Ca -0.03 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.66 4.49 0.58 0.99 1.02 -0.82 -4.90 118.68 118.37 1of6 s LEU 334 Ca 0.49 1.38 -0.20 0.00 0.02 0.00 0.00 54.13 55.82 1of6 s LEU 334 Cb 0.31 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.38 1of6 s LEU 334 CO 0.26 0.14 1.32 -0.54 0.02 0.00 0.00 176.35 177.54 1of6 s LYS 335 N -0.57 2.96 0.21 1.70 1.02 -1.26 -4.98 119.74 118.82 1of6 s LYS 335 Ca 0.34 2.13 -0.30 0.00 0.02 0.00 0.00 55.97 58.16 1of6 s LYS 335 Cb -0.20 -2.10 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 1of6 s LYS 335 CO 0.21 -1.30 0.97 -0.47 -0.92 0.00 0.00 175.35 173.84 1of6 s TYR 336 N -1.36 3.89 -1.59 3.18 5.04 -1.26 -3.94 117.35 121.31 1of6 s TYR 336 Ca 0.75 1.86 -0.01 0.00 -2.44 0.00 0.00 57.07 57.23 1of6 s TYR 336 Cb -0.38 -3.04 0.00 0.00 0.35 0.00 0.00 41.96 38.89 1of6 s TYR 336 CO 0.43 0.26 0.15 0.41 -1.34 0.00 0.00 175.55 175.46 1of6 n GLY 337 N 1.65 -0.42 3.12 8.97 0.00 -1.26 -4.71 105.19 112.53 1of6 n GLY 337 Ca -0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.01 1.88 0.26 1.61 1.01 -1.25 -1.49 120.40 119.41 1of6 s VAL 338 Ca 0.08 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1of6 s VAL 338 Cb -0.03 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.52 1of6 s VAL 338 CO 0.09 0.51 1.20 -0.24 0.00 0.00 0.00 175.10 176.67 1of6 n SER 339 N 4.25 1.94 -1.50 3.32 2.88 -1.26 -4.81 113.62 118.43 1of6 n SER 339 Ca -0.20 1.17 0.08 0.00 -1.33 0.00 0.00 58.87 58.59 1of6 n SER 339 Cb 0.51 -1.34 0.33 0.00 -0.75 0.00 0.00 64.21 62.96 1of6 n SER 339 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1of6 n ILE 340 N 0.97 1.73 0.00 2.46 -5.35 -1.26 -2.10 119.36 115.82 1of6 n ILE 340 Ca 0.10 -1.08 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1of6 n ILE 340 Cb 0.31 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 0.96 0.00 -1.43 7.28 -2.24 -1.26 -4.82 114.28 112.77 1of6 n THR 341 Ca 0.24 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.71 1of6 n THR 341 Cb 0.85 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.15 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 4.96 0.01 3.42 1.01 -1.26 -4.73 116.67 121.09 1of6 s ASP 342 Ca 0.00 1.70 -0.30 0.00 0.71 0.00 0.00 52.55 54.66 1of6 s ASP 342 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1of6 s ASP 342 CO 0.00 -1.73 0.97 0.00 0.21 0.00 0.00 175.17 174.62 1of6 s ALA 343 N -2.98 3.18 0.14 5.23 0.00 -1.26 -4.68 121.76 121.38 1of6 s ALA 343 Ca 0.59 0.53 0.06 0.00 0.00 0.00 0.00 51.96 53.15 1of6 s ALA 343 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1of6 s ALA 343 CO 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 175.76 176.12 1of6 s ILE 345 N -1.56 3.10 0.94 0.00 -4.36 -0.81 -0.63 121.20 117.89 1of6 s ILE 345 Ca 0.27 0.72 -0.15 0.00 -0.26 0.00 0.00 60.65 61.22 1of6 s ILE 345 Cb -0.10 -3.31 0.18 0.00 1.25 0.00 0.00 42.46 40.47 1of6 s ILE 345 CO 0.18 -0.11 1.28 -0.83 0.24 0.00 0.00 174.94 175.70 1of6 s GLY 346 N -1.64 1.73 0.06 6.27 0.00 -1.26 -1.58 107.32 110.90 1of6 s GLY 346 Ca 0.71 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 44.10 1of6 s GLY 346 CO 0.30 -0.34 1.58 -0.25 0.00 0.00 0.00 173.10 174.39 1of6 h TRP 347 N -1.55 -0.40 -0.67 1.90 2.91 -0.70 -2.09 115.95 115.35 1of6 h TRP 347 Ca -0.45 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 59.65 1of6 h TRP 347 Cb 1.26 0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 29.97 1of6 h TRP 347 CO -0.84 -0.20 0.31 1.05 -1.03 0.00 0.00 178.44 177.74 1of6 h GLU 348 N -0.52 0.52 -0.07 2.65 9.09 -1.89 0.80 114.58 125.16 1of6 h GLU 348 Ca -0.04 -0.03 0.02 0.00 0.05 0.00 0.00 59.36 59.35 1of6 h GLU 348 Cb 0.39 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1of6 h GLU 348 CO 0.07 0.34 0.06 1.15 0.05 0.00 0.00 179.01 180.68 1of6 h THR 349 N 0.53 0.76 0.16 -1.06 2.02 -1.91 -2.79 112.91 110.62 1of6 h THR 349 Ca 0.33 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.22 1of6 h THR 349 Cb 0.37 0.96 0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1of6 h THR 349 CO -0.28 0.00 -1.30 0.74 0.37 0.00 0.00 175.52 175.05 1of6 h THR 350 N 0.00 1.40 -0.34 3.16 2.02 -0.17 -1.30 112.91 117.68 1of6 h THR 350 Ca 0.03 -2.84 0.03 0.00 0.77 0.00 0.00 66.41 64.40 1of6 h THR 350 Cb 0.14 2.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 1of6 h THR 350 CO -0.00 0.84 0.13 -0.33 0.37 0.00 0.00 175.52 176.53 1of6 h GLU 351 N 0.13 0.28 0.09 6.66 5.08 -1.04 0.42 114.58 126.20 1of6 h GLU 351 Ca -0.18 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1of6 h GLU 351 Cb 2.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 1of6 h GLU 351 CO 0.23 0.18 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.92 1of6 h ASP 352 N 0.28 -0.15 -0.47 1.42 3.32 -1.44 0.23 116.42 119.62 1of6 h ASP 352 Ca 0.15 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1of6 h ASP 352 Cb 0.11 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1of6 h ASP 352 CO -0.14 -0.10 0.24 0.58 -1.72 0.00 0.00 179.24 178.10 1of6 h VAL 353 N -0.15 1.18 -0.17 -1.35 2.07 -0.90 -2.06 116.25 114.87 1of6 h VAL 353 Ca -0.01 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1of6 h VAL 353 Cb 0.13 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1of6 h VAL 353 CO 0.01 0.19 -0.07 -0.07 0.02 0.00 0.00 177.57 177.64 1of6 h LEU 354 N 0.62 0.35 -0.91 2.57 3.38 0.57 -2.12 115.31 119.76 1of6 h LEU 354 Ca 0.16 -0.40 0.15 0.00 0.09 0.00 0.00 57.88 57.88 1of6 h LEU 354 Cb 0.08 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1of6 h LEU 354 CO -0.02 0.67 0.51 0.03 0.09 0.00 0.00 178.44 179.72 1of6 h ARG 355 N 0.03 0.70 -0.14 1.13 3.08 -0.55 0.46 114.38 119.09 1of6 h ARG 355 Ca 0.04 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1of6 h ARG 355 Cb 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1of6 h ARG 355 CO 0.02 0.46 -0.70 -0.22 -1.07 0.00 0.00 179.97 178.47 1of6 h LYS 356 N 0.72 0.60 -0.54 0.04 3.64 -1.30 -2.47 116.57 117.26 1of6 h LYS 356 Ca 0.49 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1of6 h LYS 356 Cb 0.67 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1of6 h LYS 356 CO -0.35 1.08 0.07 1.25 -2.27 0.00 0.00 179.45 179.23 1of6 h LEU 357 N 0.42 0.83 -0.97 5.20 5.85 -0.62 -2.00 115.31 124.03 1of6 h LEU 357 Ca -0.03 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1of6 h LEU 357 Cb 1.29 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1of6 h LEU 357 CO 0.13 0.85 0.64 0.00 -0.34 0.00 0.00 178.44 179.72 1of6 h ALA 358 N 1.25 1.23 -0.43 1.25 0.00 -0.81 -1.38 119.26 120.37 1of6 h ALA 358 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1of6 h ALA 358 Cb 0.39 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1of6 h ALA 358 CO 0.01 0.60 0.22 0.00 0.00 0.00 0.00 179.25 180.08 1of6 h ALA 359 N 1.36 0.55 -0.79 0.00 0.00 -1.06 -2.09 119.26 117.23 1of6 h ALA 359 Ca 0.36 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1of6 h ALA 359 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1of6 h ALA 359 CO -0.09 0.09 0.52 0.00 0.00 0.00 0.00 179.25 179.77 1of6 h ALA 360 N 1.07 1.02 -0.20 0.00 0.00 -0.74 -1.12 119.26 119.29 1of6 h ALA 360 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1of6 h ALA 360 Cb 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1of6 h ALA 360 CO -0.02 0.38 0.02 0.28 0.00 0.00 0.00 179.25 179.91 1of6 h VAL 361 N 1.04 0.89 -0.85 0.00 2.07 -1.00 -0.81 116.25 117.59 1of6 h VAL 361 Ca 0.30 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.95 1of6 h VAL 361 Cb -0.08 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 1of6 h VAL 361 CO -0.08 0.02 0.41 0.03 0.02 0.00 0.00 177.57 177.97 1of6 h ARG 362 N 0.09 0.53 -0.14 1.57 3.08 -0.91 -1.88 114.38 116.73 1of6 h ARG 362 Ca 0.09 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 1of6 h ARG 362 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1of6 h ARG 362 CO -0.14 0.35 -0.71 0.37 -1.07 0.00 0.00 179.97 178.77 1of6 h GLN 363 N 0.55 0.61 -0.30 0.04 5.75 -0.77 -2.65 115.11 118.34 1of6 h GLN 363 Ca 0.49 -0.48 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1of6 h GLN 363 Cb 0.77 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 1of6 h GLN 363 CO -0.41 1.10 0.04 -0.09 -2.65 0.00 0.00 178.83 176.82 1of6 h ARG 364 N 0.43 0.44 -0.28 1.69 2.43 -0.91 -0.31 114.38 117.87 1of6 h ARG 364 Ca -0.03 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1of6 h ARG 364 Cb 1.31 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 1of6 h ARG 364 CO 0.14 0.44 -0.03 0.00 -1.51 0.00 0.00 179.97 179.01 1of6 h ARG 365 N 0.43 0.05 -0.36 0.20 3.08 -1.01 -1.65 114.38 115.13 1of6 h ARG 365 Ca 0.10 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1of6 h ARG 365 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1of6 h ARG 365 CO 0.00 0.03 0.17 0.93 -1.07 0.00 0.00 179.97 180.03 1of6 h GLU 366 N 0.05 0.52 -0.72 0.04 4.39 -0.96 -2.30 114.58 115.60 1of6 h GLU 366 Ca 0.13 -0.08 0.13 0.00 0.34 0.00 0.00 59.36 59.89 1of6 h GLU 366 Cb 0.19 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1of6 h GLU 366 CO -0.25 0.47 0.48 0.28 -1.16 0.00 0.00 179.01 178.83 1of6 h VAL 367 N 0.44 0.83 0.00 3.13 2.07 -1.03 -3.03 116.25 118.65 1of6 h VAL 367 Ca 0.12 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 1of6 h VAL 367 Cb 0.13 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1of6 h VAL 367 CO -0.01 0.08 -0.63 0.78 0.02 0.00 0.00 177.57 177.80 1of6 h ASN 368 N 0.43 0.00 0.00 0.57 2.35 -0.72 -3.50 115.58 114.70 1of6 h ASN 368 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1of6 h ASN 368 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1of6 h ASN 368 CO -0.11 0.63 0.00 2.29 -1.65 0.00 0.00 177.43 178.60