#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 3.18 -0.49 4.61 0.00 -1.26 -5.02 121.76 122.79 1of6 s ALA 19 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 1of6 s ALA 19 Cb 0.00 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.91 1of6 s ALA 19 CO 0.00 -0.37 0.37 -2.00 0.00 0.00 0.00 175.76 173.76 1of6 s GLU 20 N -2.20 2.52 0.23 0.00 2.12 -1.26 -5.05 118.70 115.06 1of6 s GLU 20 Ca 0.55 -1.81 0.02 0.00 0.36 0.00 0.00 54.97 54.09 1of6 s GLU 20 Cb -0.28 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 1of6 s GLU 20 CO 0.36 -1.20 0.03 -1.21 -0.54 0.00 0.00 175.26 172.69 1of6 s GLU 21 N 1.28 1.31 -0.45 4.30 2.02 -1.26 -4.89 118.70 121.01 1of6 s GLU 21 Ca 0.06 -1.67 -0.02 0.00 0.02 0.00 0.00 54.97 53.36 1of6 s GLU 21 Cb -0.26 -0.44 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1of6 s GLU 21 CO -0.01 -0.16 0.08 -0.25 0.02 0.00 0.00 175.26 174.93 1of6 n ASP 22 N -0.40 -1.88 0.12 -0.19 9.92 -1.26 -4.83 116.55 118.03 1of6 n ASP 22 Ca -0.04 0.25 0.11 0.00 -0.53 0.00 0.00 54.79 54.58 1of6 n ASP 22 Cb 0.64 -1.70 0.48 0.00 -0.64 0.00 0.00 41.12 39.91 1of6 n ASP 22 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1of6 n VAL 23 N -2.90 0.89 -1.15 2.53 0.24 -1.26 -2.27 118.33 114.42 1of6 n VAL 23 Ca -0.03 0.30 0.09 0.00 -2.04 0.00 0.00 64.34 62.67 1of6 n VAL 23 Cb 0.52 -1.23 0.16 0.00 -1.47 0.00 0.00 33.84 31.82 1of6 n VAL 23 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1of6 n ARG 24 N -2.16 1.40 -3.77 7.34 1.74 -1.26 -4.92 116.66 115.03 1of6 n ARG 24 Ca 0.02 -2.70 -0.37 0.00 -0.77 0.00 0.00 57.85 54.02 1of6 n ARG 24 Cb 0.19 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.93 3.59 0.20 0.55 -1.09 -0.96 -4.96 121.20 115.59 1of6 s ILE 25 Ca 0.33 -1.38 0.34 0.00 -2.23 0.00 0.00 60.65 57.72 1of6 s ILE 25 Cb 0.30 -3.13 0.38 0.00 -1.58 0.00 0.00 42.46 38.43 1of6 s ILE 25 CO 0.02 -0.29 2.03 -0.07 -1.23 0.00 0.00 174.94 175.40 1of6 h LEU 26 N 8.17 0.00 0.00 2.97 4.07 -1.91 -3.48 115.31 125.12 1of6 h LEU 26 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1of6 h LEU 26 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1of6 h LEU 26 CO 0.62 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 1of6 n GLY 27 N -0.15 2.14 3.17 0.83 0.00 -1.26 -5.09 105.19 104.83 1of6 n GLY 27 Ca -0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 3.17 -0.00 1.61 2.02 -1.26 -5.11 117.35 115.78 1of6 s TYR 28 Ca 0.00 -1.79 -0.10 0.00 -0.37 0.00 0.00 57.07 54.81 1of6 s TYR 28 Cb 0.00 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1of6 s TYR 28 CO 0.00 -0.78 0.32 -0.51 -1.57 0.00 0.00 175.55 173.01 1of6 s ASP 29 N 1.27 6.62 0.45 2.29 1.01 -1.26 -5.07 116.67 121.97 1of6 s ASP 29 Ca -0.03 0.73 -0.24 0.00 0.71 0.00 0.00 52.55 53.72 1of6 s ASP 29 Cb -0.18 -2.16 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 1of6 s ASP 29 CO -0.03 0.29 1.27 -2.16 0.21 0.00 0.00 175.17 174.75 1of6 s PRO 30 N -1.42 3.74 -0.10 8.23 0.04 -1.26 -5.03 135.00 139.20 1of6 s PRO 30 Ca 0.25 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.38 1of6 s PRO 30 Cb -0.14 -2.55 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1of6 s PRO 30 CO 0.13 -0.65 -0.19 -1.17 0.04 0.00 0.00 177.00 175.17 1of6 s LEU 31 N -2.82 1.89 0.30 -3.56 2.96 -1.26 -4.88 118.68 111.31 1of6 s LEU 31 Ca 0.62 -0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.77 1of6 s LEU 31 Cb -0.36 -1.19 -0.10 0.00 0.50 0.00 0.00 46.19 45.04 1of6 s LEU 31 CO 0.44 0.08 1.34 0.00 -1.32 0.00 0.00 176.35 176.90 1of6 s ALA 32 N 0.63 3.53 0.69 5.97 0.00 -1.26 -4.99 121.76 126.34 1of6 s ALA 32 Ca -0.13 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 1of6 s ALA 32 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1of6 s ALA 32 CO 0.04 -0.66 1.07 -1.54 0.00 0.00 0.00 175.76 174.67 1of6 s SER 33 N -0.17 5.28 0.15 0.00 1.04 -1.26 -4.85 113.70 113.89 1of6 s SER 33 Ca 0.52 1.70 -0.17 0.00 0.48 0.00 0.00 55.95 58.49 1of6 s SER 33 Cb -0.40 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.28 1of6 s SER 33 CO 0.49 -1.51 1.72 -0.65 0.98 0.00 0.00 173.24 174.27 1of6 h PRO 34 N -0.58 0.16 -0.71 4.02 0.11 -1.81 -2.09 132.00 131.09 1of6 h PRO 34 Ca -0.44 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.81 1of6 h PRO 34 Cb 1.22 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1of6 h PRO 34 CO 0.56 0.11 0.15 0.00 -0.21 0.00 0.00 178.00 178.61 1of6 h ALA 35 N 1.27 0.89 -0.10 -0.75 0.00 -0.65 -0.05 119.26 119.87 1of6 h ALA 35 Ca 0.16 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1of6 h ALA 35 Cb 0.19 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1of6 h ALA 35 CO -0.23 -0.34 -0.13 1.25 0.00 0.00 0.00 179.25 179.79 1of6 h LEU 36 N 0.25 -0.41 -0.84 0.00 5.85 -1.73 -0.77 115.31 117.65 1of6 h LEU 36 Ca 0.40 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.13 1of6 h LEU 36 Cb 0.67 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1of6 h LEU 36 CO -0.51 -0.18 0.14 0.25 -0.34 0.00 0.00 178.44 177.80 1of6 h LEU 37 N -0.18 0.94 -1.29 2.25 5.85 -1.17 0.11 115.31 121.82 1of6 h LEU 37 Ca 0.08 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1of6 h LEU 37 Cb 0.29 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1of6 h LEU 37 CO -0.20 0.92 -0.35 1.56 -0.34 0.00 0.00 178.44 180.03 1of6 h GLN 38 N 0.95 0.00 -0.04 1.25 4.20 -0.76 -0.36 115.11 120.35 1of6 h GLN 38 Ca 0.20 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 1of6 h GLN 38 Cb 0.36 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1of6 h GLN 38 CO 0.00 0.35 -0.60 0.28 -0.67 0.00 0.00 178.83 178.19 1of6 h VAL 39 N 0.00 1.39 -0.03 -0.54 2.07 -0.89 -3.23 116.25 115.02 1of6 h VAL 39 Ca -0.00 -2.00 -0.08 0.00 0.82 0.00 0.00 66.70 65.44 1of6 h VAL 39 Cb 0.65 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1of6 h VAL 39 CO 0.05 0.59 -0.38 1.56 0.02 0.00 0.00 177.57 179.41 1of6 h GLN 40 N 0.02 0.06 -2.80 1.57 4.20 -0.57 -3.33 115.11 114.26 1of6 h GLN 40 Ca -0.06 -0.02 -0.61 0.00 0.06 0.00 0.00 58.65 58.01 1of6 h GLN 40 Cb 1.28 -0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.65 1of6 h GLN 40 CO 0.12 0.43 -0.70 -0.89 -0.67 0.00 0.00 178.83 177.12 1of6 n ILE 41 N -4.08 0.78 -2.36 2.54 5.41 -0.16 -5.08 119.36 116.41 1of6 n ILE 41 Ca -0.02 -4.44 -0.36 0.00 1.00 0.00 0.00 62.75 58.92 1of6 n ILE 41 Cb 0.42 -2.02 -0.02 0.00 -0.71 0.00 0.00 39.64 37.31 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 -1.07 3.85 0.14 0.38 0.05 -1.22 -4.68 135.00 132.45 1of6 s PRO 42 Ca 0.28 1.66 -0.30 0.00 0.05 0.00 0.00 61.00 62.69 1of6 s PRO 42 Cb -0.00 -2.39 -0.07 0.00 0.05 0.00 0.00 34.50 32.09 1of6 s PRO 42 CO -0.17 -0.45 1.03 0.00 0.05 0.00 0.00 177.00 177.46 1of6 s ALA 43 N -1.63 3.31 0.79 8.56 0.00 -1.26 -5.02 121.76 126.50 1of6 s ALA 43 Ca 0.63 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1of6 s ALA 43 Cb -0.25 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.61 1of6 s ALA 43 CO 0.31 -0.12 1.09 0.95 0.00 0.00 0.00 175.76 177.99 1of6 s THR 44 N -0.08 3.21 0.52 0.00 -4.23 -1.26 -4.90 115.64 108.89 1of6 s THR 44 Ca 0.48 0.39 0.18 0.00 -1.18 0.00 0.00 61.69 61.57 1of6 s THR 44 Cb -0.26 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.73 1of6 s THR 44 CO 0.32 -0.51 2.15 -0.65 -0.54 0.00 0.00 174.62 175.39 1of6 h PRO 45 N -1.05 0.00 -0.03 3.99 0.11 -2.00 -2.71 132.00 130.31 1of6 h PRO 45 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1of6 h PRO 45 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1of6 h PRO 45 CO 0.58 0.02 -0.02 1.15 -0.21 0.00 0.00 178.00 179.52 1of6 h THR 46 N 0.00 1.37 -0.86 -1.15 2.02 -1.91 -0.59 112.91 111.79 1of6 h THR 46 Ca -0.00 -1.13 0.15 0.00 0.77 0.00 0.00 66.41 66.20 1of6 h THR 46 Cb 0.03 2.07 -0.15 0.00 -1.74 0.00 0.00 68.15 68.36 1of6 h THR 46 CO 0.00 0.30 -0.33 0.28 0.37 0.00 0.00 175.52 176.15 1of6 h SER 47 N -0.38 -1.19 -0.31 4.18 0.02 -1.60 0.32 113.55 114.60 1of6 h SER 47 Ca 0.01 0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1of6 h SER 47 Cb 0.50 0.65 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1of6 h SER 47 CO 0.01 -0.29 0.10 -0.07 -1.14 0.00 0.00 176.83 175.43 1of6 h LEU 48 N -0.04 0.44 -0.59 5.07 3.38 -1.40 -1.98 115.31 120.18 1of6 h LEU 48 Ca 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1of6 h LEU 48 Cb 0.60 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1of6 h LEU 48 CO -0.89 0.51 0.39 -0.08 0.09 0.00 0.00 178.44 178.46 1of6 h GLU 49 N 0.34 0.78 -0.25 1.13 4.57 -0.30 -2.25 114.58 118.60 1of6 h GLU 49 Ca 0.10 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1of6 h GLU 49 Cb 0.23 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1of6 h GLU 49 CO -0.00 0.53 0.04 1.15 -1.18 0.00 0.00 179.01 179.54 1of6 h THR 50 N 0.80 0.87 0.02 0.32 2.02 -0.29 -0.64 112.91 116.02 1of6 h THR 50 Ca 0.22 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1of6 h THR 50 Cb -0.08 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1of6 h THR 50 CO -0.05 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.81 1of6 h ALA 51 N 1.19 -0.08 -0.82 6.16 0.00 -0.84 -0.26 119.26 124.60 1of6 h ALA 51 Ca 0.11 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1of6 h ALA 51 Cb 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1of6 h ALA 51 CO -0.16 -0.56 0.50 0.87 0.00 0.00 0.00 179.25 179.90 1of6 h LYS 52 N -0.11 0.88 -0.18 0.00 1.57 -1.29 -2.12 116.57 115.33 1of6 h LYS 52 Ca 0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1of6 h LYS 52 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1of6 h LYS 52 CO -0.04 0.58 0.01 -0.09 -0.57 0.00 0.00 179.45 179.34 1of6 h ARG 53 N 0.90 0.31 -0.62 3.15 2.43 -0.60 -1.36 114.38 118.60 1of6 h ARG 53 Ca 0.37 -0.09 0.11 0.00 -0.81 0.00 0.00 59.98 59.56 1of6 h ARG 53 Cb 0.20 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.63 1of6 h ARG 53 CO -0.18 0.50 0.16 0.78 -1.51 0.00 0.00 179.97 179.72 1of6 h GLY 54 N 0.07 0.81 0.98 2.80 0.00 -0.77 -1.32 103.07 105.65 1of6 h GLY 54 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1of6 h GLY 54 CO 0.01 -0.10 -0.03 3.21 0.00 0.00 0.00 176.54 179.62 1of6 h ARG 55 N 0.29 -0.09 -0.53 4.80 3.08 -1.16 -1.65 114.38 119.11 1of6 h ARG 55 Ca 0.32 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.44 1of6 h ARG 55 Cb 0.47 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1of6 h ARG 55 CO -0.39 -0.05 0.25 0.00 -1.07 0.00 0.00 179.97 178.72 1of6 h ARG 56 N -0.11 0.47 -0.24 0.04 3.08 -0.86 0.38 114.38 117.13 1of6 h ARG 56 Ca -0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1of6 h ARG 56 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1of6 h ARG 56 CO 0.02 0.31 -0.10 0.93 -1.07 0.00 0.00 179.97 180.06 1of6 h GLU 57 N 0.49 0.49 -0.31 0.04 5.08 -1.16 -1.19 114.58 118.02 1of6 h GLU 57 Ca 0.24 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1of6 h GLU 57 Cb 0.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1of6 h GLU 57 CO -0.19 0.75 0.06 0.00 -1.00 0.00 0.00 179.01 178.63 1of6 h ALA 58 N 0.73 0.32 -0.46 3.43 0.00 -0.98 -1.06 119.26 121.24 1of6 h ALA 58 Ca 0.05 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1of6 h ALA 58 Cb 0.60 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1of6 h ALA 58 CO 0.03 -0.35 -0.36 0.82 0.00 0.00 0.00 179.25 179.39 1of6 h ILE 59 N 0.17 0.17 -0.43 0.00 2.04 -0.66 -1.11 117.51 117.69 1of6 h ILE 59 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1of6 h ILE 59 Cb 0.15 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1of6 h ILE 59 CO -0.19 0.00 0.29 0.44 0.00 0.00 0.00 178.15 178.69 1of6 h ASP 60 N -0.25 0.48 0.04 1.72 3.32 -0.61 -2.64 116.42 118.48 1of6 h ASP 60 Ca 0.18 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 1of6 h ASP 60 Cb 0.56 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1of6 h ASP 60 CO -0.59 0.34 -0.50 0.40 -1.72 0.00 0.00 179.24 177.17 1of6 h ILE 61 N 0.56 1.52 0.00 0.35 2.04 -0.89 -1.79 117.51 119.30 1of6 h ILE 61 Ca 0.16 -2.19 -0.14 0.00 1.00 0.00 0.00 64.86 63.69 1of6 h ILE 61 Cb -0.03 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1of6 h ILE 61 CO -0.04 0.62 -0.68 0.16 0.00 0.00 0.00 178.15 178.21 1of6 h ILE 62 N -0.38 1.45 -0.00 -0.67 3.07 -0.95 -2.67 117.51 117.36 1of6 h ILE 62 Ca -0.07 -2.34 0.00 0.00 1.55 0.00 0.00 64.86 63.99 1of6 h ILE 62 Cb 1.28 2.28 0.00 0.00 -0.27 0.00 0.00 36.82 40.11 1of6 h ILE 62 CO 0.10 0.66 -0.10 0.35 -1.05 0.00 0.00 178.15 178.10 1of6 n THR 63 N -3.68 0.00 -0.07 0.16 -2.24 -1.02 0.05 114.28 107.48 1of6 n THR 63 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1of6 n THR 63 Cb 0.68 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.36 0.52 0.50 3.38 0.00 -1.01 -4.97 105.19 104.97 1of6 n GLY 64 Ca 0.11 0.00 0.09 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 -2.00 1.64 -3.71 1.61 5.02 -0.71 -4.74 118.16 115.27 1of6 n LYS 65 Ca 0.00 -0.98 -0.12 0.00 -2.02 0.00 0.00 58.31 55.19 1of6 n LYS 65 Cb 0.00 -1.33 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.38 -0.30 0.00 4.39 -1.08 -0.98 -4.94 116.67 112.38 1of6 s ASP 66 Ca 0.28 0.66 0.25 0.00 -0.52 0.00 0.00 52.55 53.21 1of6 s ASP 66 Cb 0.15 0.57 0.64 0.00 -1.46 0.00 0.00 42.92 42.81 1of6 s ASP 66 CO 0.22 -0.18 1.51 -0.90 0.52 0.00 0.00 175.17 176.34 1of6 n ASP 67 N 4.35 2.27 -4.65 -0.34 5.75 -1.26 -4.54 116.55 118.14 1of6 n ASP 67 Ca -0.23 -1.76 -0.30 0.00 -0.01 0.00 0.00 54.79 52.49 1of6 n ASP 67 Cb 0.53 -0.05 0.18 0.00 -1.03 0.00 0.00 41.12 40.75 1of6 n ASP 67 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1of6 s ARG 68 N -1.90 0.72 -0.13 0.11 0.52 -1.26 -4.96 118.95 112.05 1of6 s ARG 68 Ca 0.34 1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 56.70 1of6 s ARG 68 Cb 0.20 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.91 1of6 s ARG 68 CO 0.31 -2.75 0.27 0.08 0.02 0.00 0.00 175.30 173.23 1of6 s VAL 69 N -2.66 5.31 0.00 3.52 1.01 -1.03 -4.92 120.40 121.63 1of6 s VAL 69 Ca 0.66 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1of6 s VAL 69 Cb -0.22 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1of6 s VAL 69 CO 0.59 0.46 1.35 -0.22 0.00 0.00 0.00 175.10 177.28 1of6 s LEU 70 N -0.01 4.32 -0.20 3.92 2.96 -0.32 -0.73 118.68 128.62 1of6 s LEU 70 Ca 0.17 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 56.15 1of6 s LEU 70 Cb -0.13 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1of6 s LEU 70 CO 0.05 -0.67 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.58 1of6 s VAL 71 N 2.19 1.83 -0.40 1.68 1.01 -0.63 -0.78 120.40 125.29 1of6 s VAL 71 Ca 0.62 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1of6 s VAL 71 Cb -0.30 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1of6 s VAL 71 CO 0.26 0.24 0.31 -0.63 0.00 0.00 0.00 175.10 175.28 1of6 s ILE 72 N 1.33 5.25 -0.04 2.22 -1.09 -0.06 -0.76 121.20 128.05 1of6 s ILE 72 Ca -0.01 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1of6 s ILE 72 Cb -0.16 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 1of6 s ILE 72 CO -0.09 -0.29 0.10 0.54 -1.23 0.00 0.00 174.94 173.97 1of6 s VAL 73 N 1.72 -0.00 -5.00 2.92 0.11 -0.19 -0.64 120.40 119.33 1of6 s VAL 73 Ca 0.06 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1of6 s VAL 73 Cb -0.19 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1of6 s VAL 73 CO 0.10 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 1of6 n GLY 74 N 3.12 0.27 3.72 6.54 0.00 -0.80 -1.50 105.19 116.54 1of6 n GLY 74 Ca -0.13 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1of6 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1of6 s PRO 75 N -2.00 2.16 0.13 1.61 0.02 0.72 0.18 135.00 137.81 1of6 s PRO 75 Ca 0.00 1.82 -0.22 0.00 0.02 0.00 0.00 61.00 62.62 1of6 s PRO 75 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 1of6 s PRO 75 CO 0.00 -1.84 1.68 0.00 -0.33 0.00 0.00 177.00 176.51 1of6 s SER 77 N -5.08 -0.14 -0.36 0.00 1.04 -1.26 -4.50 113.70 103.40 1of6 s SER 77 Ca -0.14 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1of6 s SER 77 Cb 0.10 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1of6 s SER 77 CO 0.67 -0.55 0.21 -0.63 0.98 0.00 0.00 173.24 173.93 1of6 s ILE 78 N -2.08 4.73 -0.38 -1.02 -1.09 -0.50 -4.84 121.20 116.02 1of6 s ILE 78 Ca -0.08 -0.67 0.14 0.00 -2.23 0.00 0.00 60.65 57.81 1of6 s ILE 78 Cb -0.03 -3.57 -0.19 0.00 -1.58 0.00 0.00 42.46 37.10 1of6 s ILE 78 CO -0.00 -0.15 0.48 0.00 -1.23 0.00 0.00 174.94 174.03 1of6 n HIS 79 N 5.02 0.00 -3.71 3.97 1.44 -1.26 -4.59 115.22 116.09 1of6 n HIS 79 Ca -0.12 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.31 1of6 n HIS 79 Cb 0.47 -0.15 -0.16 0.00 0.12 0.00 0.00 29.99 30.27 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 -2.95 3.14 0.42 4.39 -1.08 -1.26 -5.00 116.67 114.33 1of6 s ASP 80 Ca 0.01 -1.00 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 1of6 s ASP 80 Cb 0.10 -0.60 0.89 0.00 -1.46 0.00 0.00 42.92 41.85 1of6 s ASP 80 CO 0.60 -0.34 1.92 -0.07 0.52 0.00 0.00 175.17 177.80 1of6 h LEU 81 N 8.24 0.00 -0.18 -1.34 4.07 -1.98 -1.39 115.31 122.72 1of6 h LEU 81 Ca -0.16 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.68 1of6 h LEU 81 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1of6 h LEU 81 CO 0.37 0.26 -0.34 -0.33 -1.08 0.00 0.00 178.44 177.33 1of6 h GLU 82 N 0.00 0.55 -0.52 1.13 3.07 -1.99 -1.80 114.58 115.02 1of6 h GLU 82 Ca -0.00 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.40 1of6 h GLU 82 Cb 0.47 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1of6 h GLU 82 CO 0.03 0.96 -0.09 0.00 -1.40 0.00 0.00 179.01 178.51 1of6 h ALA 83 N 0.59 0.85 -0.41 3.43 0.00 -1.97 -1.21 119.26 120.55 1of6 h ALA 83 Ca 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1of6 h ALA 83 Cb 0.93 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1of6 h ALA 83 CO 0.08 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.11 1of6 h ALA 84 N 1.02 1.48 -0.03 0.00 0.00 -1.17 0.13 119.26 120.69 1of6 h ALA 84 Ca 0.14 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1of6 h ALA 84 Cb 0.63 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1of6 h ALA 84 CO 0.04 0.40 -0.53 0.37 0.00 0.00 0.00 179.25 179.52 1of6 h GLN 85 N 0.58 0.41 -0.17 0.00 5.75 -0.57 0.08 115.11 121.18 1of6 h GLN 85 Ca 0.14 -0.41 0.04 0.00 -0.15 0.00 0.00 58.65 58.27 1of6 h GLN 85 Cb 0.16 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1of6 h GLN 85 CO -0.01 1.06 -0.05 1.49 -2.65 0.00 0.00 178.83 178.67 1of6 h GLU 86 N -0.08 -0.01 -0.33 1.69 4.81 -0.89 -0.99 114.58 118.77 1of6 h GLU 86 Ca -0.06 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1of6 h GLU 86 Cb 1.23 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1of6 h GLU 86 CO 0.11 -0.01 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.33 1of6 h TYR 87 N -0.02 -0.30 -0.47 0.92 3.20 -0.72 -2.47 116.97 117.12 1of6 h TYR 87 Ca 0.09 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1of6 h TYR 87 Cb 0.15 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1of6 h TYR 87 CO -0.21 -0.20 0.15 0.00 -1.64 0.00 0.00 178.16 176.27 1of6 h ALA 88 N 1.23 1.39 -0.59 1.82 0.00 -0.55 -1.23 119.26 121.33 1of6 h ALA 88 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1of6 h ALA 88 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1of6 h ALA 88 CO -0.38 0.45 0.33 -0.07 0.00 0.00 0.00 179.25 179.58 1of6 h LEU 89 N 0.68 0.72 -0.26 0.00 4.07 -0.75 0.70 115.31 120.48 1of6 h LEU 89 Ca 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1of6 h LEU 89 Cb 0.19 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1of6 h LEU 89 CO -0.01 0.59 0.14 0.03 -1.08 0.00 0.00 178.44 178.12 1of6 h ARG 90 N 0.79 0.36 -0.10 1.13 3.08 -1.03 -2.94 114.38 115.67 1of6 h ARG 90 Ca 0.21 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1of6 h ARG 90 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1of6 h ARG 90 CO -0.04 0.31 -0.37 1.25 -1.07 0.00 0.00 179.97 180.05 1of6 h LEU 91 N 0.31 0.22 -0.98 3.04 5.85 -1.06 -1.23 115.31 121.46 1of6 h LEU 91 Ca 0.09 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1of6 h LEU 91 Cb 0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1of6 h LEU 91 CO -0.02 0.58 -0.26 0.50 -0.34 0.00 0.00 178.44 178.90 1of6 h LYS 92 N 0.18 0.43 0.25 1.25 1.63 -0.76 -1.54 116.57 118.00 1of6 h LYS 92 Ca 0.02 -0.16 -0.34 0.00 -0.85 0.00 0.00 60.65 59.32 1of6 h LYS 92 Cb 0.75 -0.03 0.04 0.00 -0.60 0.00 0.00 32.23 32.39 1of6 h LYS 92 CO 0.06 0.66 -1.48 -0.22 -3.45 0.00 0.00 179.45 175.02 1of6 h LYS 93 N 0.38 0.55 -0.70 1.90 3.64 -1.27 -2.01 116.57 119.05 1of6 h LYS 93 Ca 0.05 -0.93 0.07 0.00 -1.27 0.00 0.00 60.65 58.58 1of6 h LYS 93 Cb 0.67 0.34 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 1of6 h LYS 93 CO 0.05 1.44 0.38 1.25 -2.27 0.00 0.00 179.45 180.30 1of6 h LEU 94 N 0.15 0.54 -0.52 5.20 5.85 -1.24 -2.75 115.31 122.54 1of6 h LEU 94 Ca -0.25 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.37 1of6 h LEU 94 Cb 2.17 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.12 1of6 h LEU 94 CO 0.28 0.33 -0.24 0.77 -0.34 0.00 0.00 178.44 179.24 1of6 h SER 95 N 0.68 0.98 -0.73 1.25 4.64 -1.16 -1.51 113.55 117.70 1of6 h SER 95 Ca 0.33 -0.38 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1of6 h SER 95 Cb 0.26 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1of6 h SER 95 CO -0.22 1.16 0.35 0.44 -0.87 0.00 0.00 176.83 177.70 1of6 h ASP 96 N 0.81 0.44 -0.36 4.97 3.32 -1.20 0.29 116.42 124.69 1of6 h ASP 96 Ca 0.10 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1of6 h ASP 96 Cb 0.81 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1of6 h ASP 96 CO 0.07 0.24 0.15 -0.08 -1.72 0.00 0.00 179.24 177.90 1of6 h GLU 97 N 0.58 0.54 -0.54 3.56 4.81 -1.34 -3.28 114.58 118.92 1of6 h GLU 97 Ca 0.37 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1of6 h GLU 97 Cb 0.42 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1of6 h GLU 97 CO -0.29 0.52 0.00 1.28 -0.73 0.00 0.00 179.01 179.79 1of6 n LEU 98 N -4.69 3.02 0.26 1.64 4.77 -0.58 -4.60 117.00 116.83 1of6 n LEU 98 Ca -0.01 -1.48 0.17 0.00 -0.03 0.00 0.00 56.01 54.66 1of6 n LEU 98 Cb 0.14 -0.36 0.82 0.00 -2.33 0.00 0.00 43.42 41.68 1of6 n LEU 98 CO 0.37 0.74 1.01 0.07 -1.33 0.00 0.00 177.39 178.25 1of6 h LYS 99 N 3.39 0.00 0.00 3.23 2.10 -0.52 -1.22 116.57 123.55 1of6 h LYS 99 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1of6 h LYS 99 Cb 0.77 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1of6 h LYS 99 CO 0.00 0.00 -0.37 0.78 -2.00 0.00 0.00 179.45 177.86 1of6 h GLY 100 N 1.13 0.00 0.00 0.07 0.00 -1.86 -3.36 103.07 99.05 1of6 h GLY 100 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1of6 h GLY 100 CO 0.00 0.00 -1.79 1.22 0.00 0.00 0.00 176.54 175.97 1of6 n ASP 101 N -3.33 1.70 -4.04 0.19 8.00 -0.62 -4.81 116.55 113.65 1of6 n ASP 101 Ca 0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 1of6 n ASP 101 Cb 0.59 1.25 -0.13 0.00 -0.02 0.00 0.00 41.12 42.81 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 -4.48 2.12 -0.31 0.64 1.43 -0.56 -2.45 118.68 115.06 1of6 s LEU 102 Ca -0.06 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1of6 s LEU 102 Cb 0.07 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 46.01 1of6 s LEU 102 CO 0.58 -0.02 0.02 -0.55 0.23 0.00 0.00 176.35 176.61 1of6 s SER 103 N -0.77 4.91 -0.17 2.29 0.15 0.09 -4.15 113.70 116.05 1of6 s SER 103 Ca -0.01 -1.37 -0.14 0.00 0.70 0.00 0.00 55.95 55.13 1of6 s SER 103 Cb -0.06 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 1of6 s SER 103 CO 0.00 -0.29 0.29 -0.63 1.20 0.00 0.00 173.24 173.81 1of6 s ILE 104 N 1.23 5.31 -0.09 6.45 1.01 -1.26 -1.60 121.20 132.24 1of6 s ILE 104 Ca -0.04 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1of6 s ILE 104 Cb -0.20 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1of6 s ILE 104 CO -0.02 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.51 1of6 s ILE 105 N 0.57 1.50 -0.04 2.92 1.01 0.06 -4.42 121.20 122.80 1of6 s ILE 105 Ca 0.16 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1of6 s ILE 105 Cb -0.13 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1of6 s ILE 105 CO 0.04 0.44 0.97 -0.32 0.00 0.00 0.00 174.94 176.07 1of6 s MET 106 N 0.65 4.51 0.03 2.79 -2.45 -0.23 -1.02 119.30 123.58 1of6 s MET 106 Ca -0.14 1.38 -0.30 0.00 -1.25 0.00 0.00 55.69 55.38 1of6 s MET 106 Cb -0.16 -3.49 -0.09 0.00 1.25 0.00 0.00 34.83 32.35 1of6 s MET 106 CO 0.04 -0.13 1.91 1.03 1.05 0.00 0.00 175.02 178.92 1of6 s ARG 107 N 1.32 4.15 -0.55 4.11 0.52 -0.56 -1.55 118.95 126.39 1of6 s ARG 107 Ca 0.50 2.55 0.06 0.00 -0.52 0.00 0.00 55.73 58.32 1of6 s ARG 107 Cb -0.20 -4.08 0.24 0.00 0.52 0.00 0.00 34.95 31.43 1of6 s ARG 107 CO 0.24 -0.93 0.62 0.00 0.02 0.00 0.00 175.30 175.26 1of6 n ALA 108 N 7.30 3.37 -2.81 2.13 0.00 0.31 -4.23 120.51 126.58 1of6 n ALA 108 Ca 0.19 -4.18 -0.33 0.00 0.00 0.00 0.00 53.44 49.13 1of6 n ALA 108 Cb 0.41 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.79 3.54 -0.46 0.00 1.51 -1.26 -4.49 117.35 114.40 1of6 s TYR 109 Ca 0.37 0.45 0.17 0.00 -1.01 0.00 0.00 57.07 57.04 1of6 s TYR 109 Cb 0.13 -1.91 -0.21 0.00 -0.11 0.00 0.00 41.96 39.87 1of6 s TYR 109 CO -0.07 0.58 0.56 1.28 -1.11 0.00 0.00 175.55 176.79 1of6 n LEU 110 N 0.71 0.45 -3.58 -1.29 4.32 -1.26 -1.41 117.00 114.94 1of6 n LEU 110 Ca -0.08 -0.29 -0.13 0.00 -0.02 0.00 0.00 56.01 55.49 1of6 n LEU 110 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.27 1of6 n LEU 110 CO 0.45 0.11 0.26 -1.83 -1.22 0.00 0.00 177.39 175.16 1of6 s GLU 111 N -2.80 1.05 -0.12 3.23 -1.05 -1.26 -0.70 118.70 117.05 1of6 s GLU 111 Ca 0.01 -0.35 -0.05 0.00 -0.15 0.00 0.00 54.97 54.43 1of6 s GLU 111 Cb 0.12 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.25 1of6 s GLU 111 CO 0.68 -0.39 0.05 0.21 0.95 0.00 0.00 175.26 176.76 1of6 s LYS 112 N -2.82 3.36 -0.43 -4.83 2.20 -1.26 -4.83 119.74 111.13 1of6 s LYS 112 Ca -0.03 -0.31 -0.46 0.00 -0.36 0.00 0.00 55.97 54.81 1of6 s LYS 112 Cb -0.00 -3.01 -0.20 0.00 -1.51 0.00 0.00 37.83 33.11 1of6 s LYS 112 CO -0.05 0.61 1.56 -2.30 -0.36 0.00 0.00 175.35 174.82 1of6 n PRO 113 N 2.45 0.12 -1.78 4.03 -0.02 -1.26 -4.67 135.00 133.88 1of6 n PRO 113 Ca -0.19 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.91 1of6 n PRO 113 Cb 0.54 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 1of6 n PRO 113 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1of6 s ARG 114 N 2.74 3.34 -0.35 -0.52 3.52 -1.26 -4.92 118.95 121.50 1of6 s ARG 114 Ca 1.03 1.87 -0.06 0.00 -0.13 0.00 0.00 55.73 58.44 1of6 s ARG 114 Cb -1.43 -4.27 0.05 0.00 -1.56 0.00 0.00 34.95 27.74 1of6 s ARG 114 CO 0.78 -1.86 0.13 -0.08 -0.81 0.00 0.00 175.30 173.46 1of6 s THR 115 N 7.26 3.73 0.29 4.11 -1.32 -1.26 -5.05 115.64 123.40 1of6 s THR 115 Ca 0.91 -1.27 -0.25 0.00 -1.21 0.00 0.00 61.69 59.86 1of6 s THR 115 Cb -0.30 -3.18 -0.16 0.00 -1.51 0.00 0.00 72.50 67.35 1of6 s THR 115 CO 0.35 -0.26 0.40 1.07 -2.21 0.00 0.00 174.62 173.97 1of6 n THR 116 N 4.79 1.53 -1.59 5.08 5.66 -1.26 -4.34 114.28 124.14 1of6 n THR 116 Ca -0.11 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1of6 n THR 116 Cb 0.44 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1of6 n THR 116 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1of6 n VAL 117 N -0.39-10.04 0.00 1.08 0.31 -1.26 -5.10 118.33 102.93 1of6 n VAL 117 Ca 0.15 2.42 0.00 0.00 -0.01 0.00 0.00 64.34 66.90 1of6 n VAL 117 Cb 0.31 -4.46 0.00 0.00 -0.91 0.00 0.00 33.84 28.79 1of6 n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1of6 n GLY 118 N 1.31 4.51 3.67 2.92 0.00 -1.26 -5.08 105.19 111.25 1of6 n GLY 118 Ca 0.00 -1.20 -0.58 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.56 1.74 1.76 1.61 -0.00 -1.26 -4.90 117.44 114.83 1of6 n TRP 119 Ca 0.00 0.71 0.12 0.00 -0.00 0.00 0.00 57.50 58.33 1of6 n TRP 119 Cb 0.00 -2.36 0.69 0.00 -0.00 0.00 0.00 31.31 29.65 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 4.06 0.88 0.00 5.87 5.02 -1.26 -4.79 118.16 127.95 1of6 n LYS 120 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1of6 n LYS 120 Cb 0.11 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.69 0.00 0.19 0.72 0.00 -1.26 -4.36 105.19 101.18 1of6 n GLY 121 Ca 0.17 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.33 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 0.09 0.04 0.99 5.85 -1.16 0.10 115.31 121.22 1of6 h LEU 122 Ca 0.00 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1of6 h LEU 122 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1of6 h LEU 122 CO 0.00 0.44 -0.02 0.40 -0.34 0.00 0.00 178.44 178.93 1of6 h ILE 123 N 0.08 1.37 -0.12 4.05 2.04 -1.77 -3.20 117.51 119.96 1of6 h ILE 123 Ca 0.01 -1.57 -0.22 0.00 1.00 0.00 0.00 64.86 64.08 1of6 h ILE 123 Cb 0.67 2.37 0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1of6 h ILE 123 CO 0.05 0.38 -0.78 0.78 0.00 0.00 0.00 178.15 178.58 1of6 h ASN 124 N -0.78 0.89 -1.85 1.72 2.35 -1.72 -3.30 115.58 112.89 1of6 h ASN 124 Ca -0.01 -0.65 -0.50 0.00 -0.55 0.00 0.00 56.30 54.59 1of6 h ASN 124 Cb 0.67 -0.27 -0.38 0.00 0.05 0.00 0.00 38.32 38.40 1of6 h ASN 124 CO 0.01 1.40 -1.10 -0.67 -1.65 0.00 0.00 177.43 175.42 1of6 n ASP 125 N -3.97 0.23 0.17 5.81 2.03 0.34 -1.27 116.55 119.90 1of6 n ASP 125 Ca -0.08 -2.89 0.14 0.00 0.52 0.00 0.00 54.79 52.48 1of6 n ASP 125 Cb 0.75 -0.44 0.55 0.00 -0.72 0.00 0.00 41.12 41.26 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 3.54 0.00 -0.00 -0.67 0.13 -1.68 -2.50 132.00 130.82 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 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1of6 h PRO 126 CO 0.46 0.00 -0.25 -0.25 -0.23 0.00 0.00 178.00 177.73 1of6 n ASP 127 N -2.49 0.74 -3.67 1.44 8.00 -1.26 -4.95 116.55 114.36 1of6 n ASP 127 Ca 0.02 -0.64 -0.22 0.00 0.71 0.00 0.00 54.79 54.65 1of6 n ASP 127 Cb 0.25 0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.91 -5.02 -2.46 2.53 0.31 -0.94 -4.89 118.33 106.96 1of6 n VAL 128 Ca 0.11 -0.64 0.01 0.00 -0.01 0.00 0.00 64.34 63.81 1of6 n VAL 128 Cb 0.33 -4.05 0.01 0.00 -0.91 0.00 0.00 33.84 29.22 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 -3.01 0.54 -4.20 4.52 0.23 -1.26 -4.78 115.26 107.29 1of6 n ASN 129 Ca -0.25 -2.01 -0.34 0.00 -0.53 0.00 0.00 54.58 51.45 1of6 n ASN 129 Cb 0.66 -0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1of6 n ASN 129 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1of6 n ASN 130 N 0.13 -1.91 -4.69 0.53 5.15 -1.26 -4.98 115.26 108.22 1of6 n ASN 130 Ca -0.02 -1.07 -0.25 0.00 -0.60 0.00 0.00 54.58 52.64 1of6 n ASN 130 Cb 0.99 -2.57 -0.08 0.00 -0.53 0.00 0.00 39.78 37.58 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 -3.58 2.28 -0.17 -0.44 -4.23 -1.26 -5.14 115.64 103.10 1of6 s THR 131 Ca 0.48 -1.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.12 1of6 s THR 131 Cb -0.27 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 1of6 s THR 131 CO 0.94 -0.03 0.03 -0.36 -0.54 0.00 0.00 174.62 174.66 1of6 s PHE 132 N -2.61 3.17 -0.46 3.99 0.40 -1.26 -4.14 117.98 117.07 1of6 s PHE 132 Ca 0.39 -0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.73 1of6 s PHE 132 Cb 0.05 -2.03 0.18 0.00 0.51 0.00 0.00 43.02 41.73 1of6 s PHE 132 CO 0.21 0.11 0.53 -1.71 0.70 0.00 0.00 175.22 175.06 1of6 n ASN 133 N 3.47 -1.93 -0.25 1.36 2.85 -0.39 -5.02 115.26 115.35 1of6 n ASN 133 Ca -0.17 -2.64 -0.05 0.00 -0.11 0.00 0.00 54.58 51.61 1of6 n ASN 133 Cb 0.52 0.57 0.10 0.00 1.24 0.00 0.00 39.78 42.22 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 4.77 1.25 -0.30 -1.44 5.03 -1.74 -1.14 117.51 123.95 1of6 h ILE 134 Ca 0.16 -0.82 0.06 0.00 -0.12 0.00 0.00 64.86 64.14 1of6 h ILE 134 Cb 1.01 0.40 -0.05 0.00 -3.03 0.00 0.00 36.82 35.15 1of6 h ILE 134 CO 0.20 0.33 -0.04 0.78 -0.68 0.00 0.00 178.15 178.73 1of6 h ASN 135 N 1.07 -0.21 0.31 1.72 2.35 -1.90 0.19 115.58 119.12 1of6 h ASN 135 Ca 0.24 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1of6 h ASN 135 Cb 0.24 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1of6 h ASN 135 CO -0.02 -0.07 -0.26 0.50 -1.65 0.00 0.00 177.43 175.93 1of6 h LYS 136 N 0.04 0.00 -0.37 0.81 3.64 -1.84 -1.92 116.57 116.93 1of6 h LYS 136 Ca 0.14 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1of6 h LYS 136 Cb 0.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1of6 h LYS 136 CO -0.28 0.26 -0.28 0.78 -2.27 0.00 0.00 179.45 177.66 1of6 h GLY 137 N 0.88 0.91 1.30 5.01 0.00 -0.45 0.25 103.07 110.97 1of6 h GLY 137 Ca -0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 47.33 46.24 1of6 h GLY 137 CO 0.03 0.80 -0.69 1.41 0.00 0.00 0.00 176.54 178.10 1of6 h LEU 138 N 0.63 0.82 -0.06 3.11 3.38 -0.85 0.96 115.31 123.30 1of6 h LEU 138 Ca 0.07 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1of6 h LEU 138 Cb 0.85 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1of6 h LEU 138 CO 0.07 1.28 0.03 -0.61 0.09 0.00 0.00 178.44 179.30 1of6 h GLN 139 N 0.51 0.07 -0.74 1.13 4.15 -1.16 -0.27 115.11 118.79 1of6 h GLN 139 Ca -0.02 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1of6 h GLN 139 Cb 1.29 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 1of6 h GLN 139 CO 0.14 0.04 0.27 0.77 -1.93 0.00 0.00 178.83 178.12 1of6 h SER 140 N 0.07 1.04 -0.59 -0.69 0.02 -0.38 -0.56 113.55 112.46 1of6 h SER 140 Ca 0.02 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1of6 h SER 140 Cb -0.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1of6 h SER 140 CO -0.01 0.95 0.35 0.00 -1.14 0.00 0.00 176.83 176.97 1of6 h ALA 141 N 1.20 0.76 -0.22 3.77 0.00 -0.53 -1.34 119.26 122.89 1of6 h ALA 141 Ca 0.25 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1of6 h ALA 141 Cb 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1of6 h ALA 141 CO -0.02 0.24 -0.31 -0.09 0.00 0.00 0.00 179.25 179.08 1of6 h ARG 142 N 0.80 0.60 -0.48 0.00 2.43 -0.80 -0.96 114.38 115.97 1of6 h ARG 142 Ca 0.21 -0.35 0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1of6 h ARG 142 Cb -0.00 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 1of6 h ARG 142 CO -0.04 0.96 -0.00 0.37 -1.51 0.00 0.00 179.97 179.75 1of6 h GLN 143 N 0.30 0.11 -0.02 0.20 5.75 -1.03 -0.24 115.11 120.18 1of6 h GLN 143 Ca 0.02 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1of6 h GLN 143 Cb 0.89 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.37 1of6 h GLN 143 CO 0.07 0.07 -0.27 1.25 -2.65 0.00 0.00 178.83 177.30 1of6 h LEU 144 N 0.11 -0.81 -0.86 -2.39 5.85 -1.14 0.32 115.31 116.39 1of6 h LEU 144 Ca 0.24 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.18 1of6 h LEU 144 Cb 0.36 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 1of6 h LEU 144 CO -0.40 -0.34 0.49 -0.26 -0.34 0.00 0.00 178.44 177.59 1of6 h PHE 145 N -0.40 0.89 0.15 1.25 -1.00 -0.47 -1.15 116.94 116.20 1of6 h PHE 145 Ca 0.07 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1of6 h PHE 145 Cb 0.50 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1of6 h PHE 145 CO -0.31 0.33 -0.07 0.28 -1.61 0.00 0.00 178.31 176.93 1of6 h VAL 146 N 0.79 0.97 -0.67 -0.55 2.07 -0.36 -2.21 116.25 116.30 1of6 h VAL 146 Ca 0.43 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1of6 h VAL 146 Cb 0.44 1.31 -0.12 0.00 -1.52 0.00 0.00 31.29 31.40 1of6 h VAL 146 CO -0.27 0.13 -0.12 0.78 0.02 0.00 0.00 177.57 178.10 1of6 h ASN 147 N -0.45 -0.54 0.02 0.57 2.35 0.02 0.24 115.58 117.78 1of6 h ASN 147 Ca -0.02 0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1of6 h ASN 147 Cb 0.36 0.39 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1of6 h ASN 147 CO 0.03 -0.20 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.53 1of6 h LEU 148 N 0.03 -0.02 -1.01 1.61 3.38 -1.20 -3.18 115.31 114.93 1of6 h LEU 148 Ca 0.33 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1of6 h LEU 148 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1of6 h LEU 148 CO -0.66 0.55 -0.49 0.71 0.09 0.00 0.00 178.44 178.64 1of6 h THR 149 N -0.60 1.34 -0.12 0.22 1.35 -1.19 -2.96 112.91 110.96 1of6 h THR 149 Ca -0.00 -1.70 0.03 0.00 -0.55 0.00 0.00 66.41 64.19 1of6 h THR 149 Cb 0.57 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1of6 h THR 149 CO 0.00 0.48 0.14 -1.13 -0.25 0.00 0.00 175.52 174.77 1of6 h ASN 150 N 0.00 0.00 -0.31 5.36 -1.24 -0.50 -0.51 115.58 118.38 1of6 h ASN 150 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1of6 h ASN 150 Cb 0.88 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.93 1of6 h ASN 150 CO 0.06 0.00 0.00 2.30 -1.29 0.00 0.00 177.43 178.50 1of6 n ILE 151 N -3.76 0.40 -0.28 2.57 -5.35 -1.12 -4.71 119.36 107.12 1of6 n ILE 151 Ca 0.00 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1of6 n ILE 151 Cb 0.25 0.50 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 1.25 0.86 3.49 3.28 0.00 -0.20 -5.05 105.19 108.82 1of6 n GLY 152 Ca 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 4.75 0.68 0.99 2.96 -1.22 -4.99 118.68 121.85 1of6 s LEU 153 Ca 0.00 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.18 1of6 s LEU 153 Cb 0.00 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.21 1of6 s LEU 153 CO 0.00 -0.64 1.18 -2.84 -1.32 0.00 0.00 176.35 172.73 1of6 s PRO 154 N 2.34 2.49 0.29 0.98 0.02 -1.26 -3.77 135.00 136.09 1of6 s PRO 154 Ca 0.15 1.68 0.06 0.00 0.02 0.00 0.00 61.00 62.91 1of6 s PRO 154 Cb -0.16 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1of6 s PRO 154 CO 0.15 -1.54 -0.03 0.96 -0.33 0.00 0.00 177.00 176.21 1of6 s ILE 155 N -1.99 1.53 -0.00 2.83 -4.36 -1.26 -1.06 121.20 116.88 1of6 s ILE 155 Ca 0.73 -2.09 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 1of6 s ILE 155 Cb -0.27 -2.52 -0.00 0.00 1.25 0.00 0.00 42.46 40.92 1of6 s ILE 155 CO 0.41 -0.24 0.02 -0.83 0.24 0.00 0.00 174.94 174.54 1of6 s GLY 156 N -3.45 0.02 0.16 6.27 0.00 -0.59 -0.64 107.32 109.08 1of6 s GLY 156 Ca 0.31 -0.03 -0.10 0.00 0.00 0.00 0.00 44.72 44.90 1of6 s GLY 156 CO 0.12 -0.05 0.30 -0.45 0.00 0.00 0.00 173.10 173.02 1of6 s SER 157 N -0.22 0.02 0.12 1.64 0.15 -0.62 -0.53 113.70 114.26 1of6 s SER 157 Ca -0.02 -0.81 -0.26 0.00 0.70 0.00 0.00 55.95 55.55 1of6 s SER 157 Cb -0.02 0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 64.67 1of6 s SER 157 CO -0.00 -0.89 0.79 -0.70 1.20 0.00 0.00 173.24 173.64 1of6 s GLU 158 N -3.95 4.56 -0.60 5.44 2.12 -1.26 -1.16 118.70 123.85 1of6 s GLU 158 Ca 0.15 1.16 -0.18 0.00 0.36 0.00 0.00 54.97 56.46 1of6 s GLU 158 Cb 0.03 -3.31 0.12 0.00 0.26 0.00 0.00 34.13 31.23 1of6 s GLU 158 CO -0.01 0.43 0.66 -1.64 -0.54 0.00 0.00 175.26 174.16 1of6 s MET 159 N -0.63 3.07 0.06 4.30 -1.94 0.54 -4.82 119.30 119.88 1of6 s MET 159 Ca 0.38 -1.50 -0.14 0.00 -1.71 0.00 0.00 55.69 52.72 1of6 s MET 159 Cb -0.22 -4.30 -0.27 0.00 2.01 0.00 0.00 34.83 32.04 1of6 s MET 159 CO 0.25 -1.48 1.13 -0.07 -0.01 0.00 0.00 175.02 174.84 1of6 h LEU 160 N 9.58 0.88 0.00 -0.03 3.38 -1.95 -3.46 115.31 123.72 1of6 h LEU 160 Ca -0.26 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 56.84 1of6 h LEU 160 Cb 1.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1of6 h LEU 160 CO 1.07 1.59 0.15 -0.90 0.09 0.00 0.00 178.44 180.44 1of6 n ASP 161 N -3.80 -1.77 0.00 -0.43 5.68 -1.26 -5.06 116.55 109.91 1of6 n ASP 161 Ca -0.13 -2.42 0.14 0.00 -0.50 0.00 0.00 54.79 51.88 1of6 n ASP 161 Cb 0.96 3.01 0.65 0.00 -1.14 0.00 0.00 41.12 44.60 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 -0.47 0.04 -0.08 2.12 -2.24 -1.26 -4.36 114.28 108.03 1of6 n THR 162 Ca -0.06 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1of6 n THR 162 Cb 0.51 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.44 1.46 0.07 2.28 2.08 -1.26 -4.47 119.36 118.09 1of6 n ILE 163 Ca 0.09 0.10 0.15 0.00 0.56 0.00 0.00 62.75 63.65 1of6 n ILE 163 Cb 0.30 -2.22 0.64 0.00 -0.75 0.00 0.00 39.64 37.62 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 -0.90 0.06 0.01 4.38 4.64 -2.00 -1.44 113.55 118.30 1of6 h SER 164 Ca -0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1of6 h SER 164 Cb 0.99 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1of6 h SER 164 CO -0.05 0.04 -0.01 -0.65 -0.87 0.00 0.00 176.83 175.29 1of6 h PRO 165 N 0.07 0.00 0.00 4.77 0.11 -1.82 -1.67 132.00 133.45 1of6 h PRO 165 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1of6 h PRO 165 Cb 0.60 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1of6 h PRO 165 CO -0.01 0.01 -0.06 1.96 -0.21 0.00 0.00 178.00 179.69 1of6 h GLN 166 N 0.00 0.00 0.00 1.05 1.08 -1.51 -0.64 115.11 115.09 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 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1of6 h GLN 166 CO 0.00 0.06 -0.14 1.88 -0.95 0.00 0.00 178.83 179.68 1of6 h TYR 167 N 0.00 0.00 0.00 2.96 -1.99 -1.43 -3.41 116.97 113.10 1of6 h TYR 167 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1of6 h TYR 167 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1of6 h TYR 167 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1of6 n LEU 168 N -2.65 0.10 0.25 3.88 4.77 -0.93 -4.80 117.00 117.62 1of6 n LEU 168 Ca 0.04 -0.24 0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1of6 n LEU 168 Cb 0.48 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.25 1of6 n LEU 168 CO 0.33 0.02 0.95 0.00 -1.33 0.00 0.00 177.39 177.37 1of6 h ALA 169 N 0.00 1.33 0.00 -1.18 0.00 -1.36 -2.02 119.26 116.03 1of6 h ALA 169 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1of6 h ALA 169 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1of6 h ALA 169 CO 0.00 0.17 0.00 0.38 0.00 0.00 0.00 179.25 179.80 1of6 h ASP 170 N 0.00 0.00 -0.00 0.00 2.03 -1.91 -2.84 116.42 113.70 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 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1of6 h ASP 170 CO 0.02 0.00 -0.35 0.18 -1.03 0.00 0.00 179.24 178.05 1of6 n LEU 171 N -2.60 0.95 -4.75 0.15 4.77 -0.76 -4.78 117.00 109.98 1of6 n LEU 171 Ca -0.02 -0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 54.96 1of6 n LEU 171 Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1of6 n LEU 171 CO 0.15 0.20 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.48 1of6 s VAL 172 N -1.71 4.86 -0.24 4.08 1.01 -1.07 -4.54 120.40 122.79 1of6 s VAL 172 Ca 0.07 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.12 1of6 s VAL 172 Cb 0.09 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.23 1of6 s VAL 172 CO 0.35 0.58 0.32 -1.20 0.00 0.00 0.00 175.10 175.16 1of6 n SER 173 N 2.33 1.58 -3.73 3.32 7.64 0.18 -4.87 113.62 120.07 1of6 n SER 173 Ca -0.19 -0.36 -0.13 0.00 1.01 0.00 0.00 58.87 59.20 1of6 n SER 173 Cb 0.54 1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 64.84 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 -0.27 -0.00 1.43 5.36 -1.12 -4.20 117.98 116.86 1of6 s PHE 174 Ca -0.00 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 56.66 1of6 s PHE 174 Cb 0.07 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.70 1of6 s PHE 174 CO 0.41 -0.21 0.00 0.20 -1.46 0.00 0.00 175.22 174.17 1of6 s GLY 175 N 1.28 1.88 0.04 13.12 0.00 0.04 -1.58 107.32 122.10 1of6 s GLY 175 Ca -0.09 -0.95 0.09 0.00 0.00 0.00 0.00 44.72 43.77 1of6 s GLY 175 CO -0.08 -0.82 -0.24 0.00 0.00 0.00 0.00 173.10 171.97 1of6 s ALA 176 N -1.09 2.08 -0.29 3.20 0.00 -0.31 -1.61 121.76 123.74 1of6 s ALA 176 Ca 0.20 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1of6 s ALA 176 Cb -0.12 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1of6 s ALA 176 CO 0.10 0.49 0.05 0.42 0.00 0.00 0.00 175.76 176.82 1of6 s ILE 177 N -0.78 3.66 0.87 0.00 -1.09 0.36 -0.34 121.20 123.88 1of6 s ILE 177 Ca 0.10 -0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 57.57 1of6 s ILE 177 Cb -0.10 -2.91 0.11 0.00 -1.58 0.00 0.00 42.46 37.99 1of6 s ILE 177 CO 0.02 0.07 1.09 -0.83 -1.23 0.00 0.00 174.94 174.06 1of6 s GLY 178 N 1.44 1.64 0.51 6.18 0.00 -1.26 -1.74 107.32 114.09 1of6 s GLY 178 Ca 0.01 0.07 0.30 0.00 0.00 0.00 0.00 44.72 45.11 1of6 s GLY 178 CO 0.01 0.52 1.85 0.00 0.00 0.00 0.00 173.10 175.48 1of6 h ALA 179 N -1.48 2.80 0.00 3.20 0.00 -1.80 -0.25 119.26 121.73 1of6 h ALA 179 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1of6 h ALA 179 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1of6 h ALA 179 CO 0.53 -1.10 -0.09 0.54 0.00 0.00 0.00 179.25 179.12 1of6 n ARG 180 N -4.31 0.14 0.00 0.00 1.74 -1.26 -3.86 116.66 109.11 1of6 n ARG 180 Ca 0.21 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1of6 n ARG 180 Cb 1.01 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.88 0.12 -0.34 0.55 -2.24 -0.17 -4.72 114.28 105.60 1of6 n THR 181 Ca 0.06 -0.42 0.20 0.00 -2.27 0.00 0.00 64.05 61.62 1of6 n THR 181 Cb 0.39 1.17 0.41 0.00 -2.10 0.00 0.00 70.33 70.20 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 0.38 0.46 -0.00 4.28 2.02 -1.48 -0.86 112.91 117.71 1of6 h THR 182 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1of6 h THR 182 Cb 0.23 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1of6 h THR 182 CO 0.00 0.09 -0.04 -0.62 0.37 0.00 0.00 175.52 175.32 1of6 n GLU 183 N -4.94 0.96 -2.85 6.66 1.02 -1.26 -4.73 120.64 115.49 1of6 n GLU 183 Ca 0.28 -0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1of6 n GLU 183 Cb 0.82 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.22 7.07 0.21 1.62 0.15 -0.33 -4.93 113.70 115.27 1of6 s SER 184 Ca 0.38 1.31 -0.10 0.00 0.70 0.00 0.00 55.95 58.24 1of6 s SER 184 Cb 0.21 -2.48 0.23 0.00 -1.71 0.00 0.00 66.02 62.27 1of6 s SER 184 CO 0.41 -0.34 1.79 -0.61 1.20 0.00 0.00 173.24 175.69 1of6 h GLN 185 N 7.12 0.59 -0.71 5.44 5.75 -1.89 -2.19 115.11 129.21 1of6 h GLN 185 Ca -0.33 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1of6 h GLN 185 Cb 1.16 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.53 1of6 h GLN 185 CO 0.82 0.39 0.46 1.25 -2.65 0.00 0.00 178.83 179.09 1of6 h LEU 186 N 0.61 0.76 -0.87 -2.39 6.46 -1.95 -1.09 115.31 116.84 1of6 h LEU 186 Ca 0.29 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.95 1of6 h LEU 186 Cb 0.21 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1of6 h LEU 186 CO -0.20 0.53 -0.17 0.45 -0.62 0.00 0.00 178.44 178.44 1of6 h HIS 187 N 0.90 0.72 -0.23 1.25 3.86 -1.71 -0.46 115.15 119.47 1of6 h HIS 187 Ca 0.28 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1of6 h HIS 187 Cb -0.02 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1of6 h HIS 187 CO -0.04 0.78 -0.18 0.00 0.86 0.00 0.00 177.93 179.35 1of6 h ARG 188 N 0.58 0.54 -0.19 2.45 3.08 -1.07 -1.13 114.38 118.64 1of6 h ARG 188 Ca 0.09 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1of6 h ARG 188 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1of6 h ARG 188 CO 0.04 0.84 0.11 0.93 -1.07 0.00 0.00 179.97 180.82 1of6 h GLU 189 N 0.24 0.26 -0.40 0.04 5.08 -1.13 -2.66 114.58 116.01 1of6 h GLU 189 Ca 0.04 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1of6 h GLU 189 Cb 0.72 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 1of6 h GLU 189 CO 0.05 0.25 -0.05 1.25 -1.00 0.00 0.00 179.01 179.50 1of6 h LEU 190 N 0.21 -0.28 -2.19 1.33 5.85 -1.05 -1.91 115.31 117.28 1of6 h LEU 190 Ca 0.07 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1of6 h LEU 190 Cb 0.06 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1of6 h LEU 190 CO -0.01 -0.09 -0.06 0.00 -0.34 0.00 0.00 178.44 177.93 1of6 h ALA 191 N 1.38 1.25 0.00 1.25 0.00 -0.91 0.45 119.26 122.68 1of6 h ALA 191 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1of6 h ALA 191 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1of6 h ALA 191 CO -0.38 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 177.82 1of6 n SER 192 N -3.52 0.56 -0.66 0.00 3.41 -0.72 -3.09 113.62 109.60 1of6 n SER 192 Ca -0.02 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1of6 n SER 192 Cb 0.18 -0.72 0.15 0.00 -0.26 0.00 0.00 64.21 63.56 1of6 n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1of6 n GLY 193 N 0.83 2.61 3.88 5.00 0.00 0.15 -1.75 105.19 115.90 1of6 n GLY 193 Ca 0.05 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.00 4.36 -0.02 0.99 1.43 -1.18 -4.98 118.68 118.29 1of6 s LEU 194 Ca 0.24 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1of6 s LEU 194 Cb 0.12 -2.75 0.11 0.00 0.03 0.00 0.00 46.19 43.70 1of6 s LEU 194 CO 0.16 0.23 0.86 -1.20 0.23 0.00 0.00 176.35 176.63 1of6 n SER 195 N 1.05 1.24 -4.03 2.29 7.64 -1.26 -4.80 113.62 115.76 1of6 n SER 195 Ca -0.10 -2.08 -0.11 0.00 1.01 0.00 0.00 58.87 57.59 1of6 n SER 195 Cb 0.53 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.52 0.74 0.38 1.43 -0.12 -1.26 -5.06 117.98 112.57 1of6 s PHE 196 Ca 0.08 -1.03 -0.28 0.00 -0.05 0.00 0.00 56.93 55.65 1of6 s PHE 196 Cb 0.05 -0.14 -0.11 0.00 -0.63 0.00 0.00 43.02 42.19 1of6 s PHE 196 CO 0.04 -0.86 1.40 -2.30 -0.05 0.00 0.00 175.22 173.45 1of6 n PRO 197 N -0.35 2.41 -4.79 1.99 -0.02 -1.26 -4.85 135.00 128.13 1of6 n PRO 197 Ca 0.00 0.85 -0.27 0.00 -2.02 0.00 0.00 63.50 62.06 1of6 n PRO 197 Cb 0.64 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.12 1.45 -0.21 -1.45 1.01 -0.79 -0.78 120.40 118.51 1of6 s VAL 198 Ca 0.55 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1of6 s VAL 198 Cb -0.50 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1of6 s VAL 198 CO 0.62 0.42 0.02 -0.83 0.00 0.00 0.00 175.10 175.34 1of6 s GLY 199 N 0.56 1.75 -0.28 4.51 0.00 -0.63 -1.44 107.32 111.80 1of6 s GLY 199 Ca -0.16 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.46 1of6 s GLY 199 CO 0.05 0.28 0.18 -1.36 0.00 0.00 0.00 173.10 172.26 1of6 s PHE 200 N 1.07 3.21 0.42 1.90 0.08 -0.20 -0.49 117.98 123.97 1of6 s PHE 200 Ca 0.03 0.08 -0.23 0.00 0.12 0.00 0.00 56.93 56.93 1of6 s PHE 200 Cb -0.14 -2.36 -0.09 0.00 -0.57 0.00 0.00 43.02 39.85 1of6 s PHE 200 CO 0.02 -0.17 1.04 0.15 -0.10 0.00 0.00 175.22 176.16 1of6 s LYS 201 N 1.72 4.08 1.03 0.44 1.02 -0.71 -1.24 119.74 126.08 1of6 s LYS 201 Ca 0.07 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 57.39 1of6 s LYS 201 Cb -0.16 -2.41 0.19 0.00 -0.52 0.00 0.00 37.83 34.93 1of6 s LYS 201 CO 0.10 -0.20 1.00 0.27 -0.92 0.00 0.00 175.35 175.60 1of6 n ASN 202 N -0.32 -0.71 -4.82 2.83 6.94 -0.74 -4.56 115.26 113.89 1of6 n ASN 202 Ca 0.06 0.18 -0.31 0.00 -0.02 0.00 0.00 54.58 54.49 1of6 n ASN 202 Cb 0.51 -1.36 0.05 0.00 -2.36 0.00 0.00 39.78 36.62 1of6 n ASN 202 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1of6 s GLY 203 N -2.47 1.67 0.58 4.83 0.00 -0.50 -4.46 107.32 106.97 1of6 s GLY 203 Ca 0.66 0.09 0.31 0.00 0.00 0.00 0.00 44.72 45.79 1of6 s GLY 203 CO 0.62 0.40 2.23 -0.91 0.00 0.00 0.00 173.10 175.43 1of6 h THR 204 N -0.72 0.45 0.00 0.90 1.35 -1.88 -0.41 112.91 112.60 1of6 h THR 204 Ca -0.44 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1of6 h THR 204 Cb 1.21 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1of6 h THR 204 CO 0.57 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 1of6 n ASP 205 N -3.67 0.00 0.00 5.36 5.68 -1.26 -2.15 116.55 120.52 1of6 n ASP 205 Ca -0.03 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1of6 n ASP 205 Cb 0.12 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 0.00 0.75 3.94 6.12 0.00 -0.16 -2.17 105.19 113.66 1of6 n GLY 206 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.45 3.21 -0.01 2.61 -4.23 -1.26 -4.80 115.64 108.72 1of6 s THR 207 Ca 0.00 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1of6 s THR 207 Cb 0.00 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1of6 s THR 207 CO 0.00 -0.06 0.04 -0.11 -0.54 0.00 0.00 174.62 173.95 1of6 n LEU 208 N -1.63 0.00 -0.26 4.79 7.94 -1.26 -1.41 117.00 125.16 1of6 n LEU 208 Ca 0.03 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.00 1of6 n LEU 208 Cb 0.60 0.01 0.20 0.00 0.53 0.00 0.00 43.42 44.77 1of6 n LEU 208 CO 0.41 0.01 1.01 0.78 -1.11 0.00 0.00 177.39 178.49 1of6 h ASN 209 N 0.00 0.25 0.46 1.96 4.21 -1.98 -0.59 115.58 119.88 1of6 h ASN 209 Ca -0.02 0.12 -0.09 0.00 1.21 0.00 0.00 56.30 57.53 1of6 h ASN 209 Cb 0.38 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 1of6 h ASN 209 CO 0.00 0.07 -0.41 -0.37 -1.29 0.00 0.00 177.43 175.42 1of6 h VAL 210 N 0.41 1.25 0.22 2.81 -1.51 -1.96 0.18 116.25 117.64 1of6 h VAL 210 Ca 0.44 -1.44 -0.30 0.00 -1.23 0.00 0.00 66.70 64.16 1of6 h VAL 210 Cb 0.70 1.79 0.03 0.00 -2.13 0.00 0.00 31.29 31.69 1of6 h VAL 210 CO -0.44 0.41 -1.32 0.00 -1.23 0.00 0.00 177.57 174.99 1of6 h ALA 211 N 1.59 -0.14 -0.37 5.19 0.00 -1.42 -1.99 119.26 122.12 1of6 h ALA 211 Ca -0.00 -0.81 0.05 0.00 0.00 0.00 0.00 54.91 54.15 1of6 h ALA 211 Cb 0.75 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1of6 h ALA 211 CO 0.05 0.62 0.08 0.28 0.00 0.00 0.00 179.25 180.29 1of6 h VAL 212 N 0.05 0.82 -0.63 0.00 2.07 -1.00 -0.79 116.25 116.78 1of6 h VAL 212 Ca -0.23 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1of6 h VAL 212 Cb 2.03 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1of6 h VAL 212 CO 0.25 0.04 0.13 0.44 0.02 0.00 0.00 177.57 178.44 1of6 h ASP 213 N 0.21 0.94 -0.43 0.57 3.32 -0.64 -2.04 116.42 118.35 1of6 h ASP 213 Ca 0.18 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1of6 h ASP 213 Cb 0.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1of6 h ASP 213 CO -0.23 0.93 0.27 0.00 -1.72 0.00 0.00 179.24 178.49 1of6 h ALA 214 N 1.19 0.55 -0.51 3.45 0.00 -0.85 -1.07 119.26 122.02 1of6 h ALA 214 Ca 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1of6 h ALA 214 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1of6 h ALA 214 CO 0.00 -0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.52 1of6 h GLN 216 N 0.61 0.86 -0.59 0.00 1.08 -1.07 -2.22 115.11 113.78 1of6 h GLN 216 Ca 0.20 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1of6 h GLN 216 Cb 0.00 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1of6 h GLN 216 CO -0.08 0.75 0.19 0.00 -0.95 0.00 0.00 178.83 178.74 1of6 h ALA 217 N 1.07 0.77 0.00 3.87 0.00 -0.99 -3.15 119.26 120.83 1of6 h ALA 217 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1of6 h ALA 217 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1of6 h ALA 217 CO -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 1of6 n ALA 218 N -2.39 2.44 0.39 0.00 0.00 -0.58 -1.74 120.51 118.64 1of6 n ALA 218 Ca 0.03 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1of6 n ALA 218 Cb 0.20 -1.44 0.43 0.00 0.00 0.00 0.00 19.45 18.64 1of6 n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1of6 h ALA 219 N 2.98 1.00 -2.12 0.00 0.00 -1.35 0.31 119.26 120.08 1of6 h ALA 219 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1of6 h ALA 219 Cb 0.51 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.35 1of6 h ALA 219 CO 0.00 0.00 0.04 -1.01 0.00 0.00 0.00 179.25 178.28 1of6 s HIS 220 N -3.30 3.12 0.37 0.00 3.76 -0.71 -3.51 115.29 115.02 1of6 s HIS 220 Ca 0.06 0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 55.05 1of6 s HIS 220 Cb 0.09 -2.65 -0.09 0.00 1.11 0.00 0.00 32.58 31.04 1of6 s HIS 220 CO 0.56 -0.74 1.18 0.45 -0.85 0.00 0.00 174.74 175.34 1of6 s SER 221 N -4.32 6.66 0.26 1.40 0.15 -1.26 -3.29 113.70 113.30 1of6 s SER 221 Ca 0.53 2.39 -0.02 0.00 0.70 0.00 0.00 55.95 59.55 1of6 s SER 221 Cb -0.10 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.56 1of6 s SER 221 CO 0.41 -0.58 0.29 -1.00 1.20 0.00 0.00 173.24 173.56 1of6 s HIS 222 N -1.34 1.10 -0.19 3.44 3.76 -1.25 -4.94 115.29 115.86 1of6 s HIS 222 Ca 0.54 -1.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.17 1of6 s HIS 222 Cb -0.32 -0.35 0.04 0.00 1.11 0.00 0.00 32.58 33.05 1of6 s HIS 222 CO 0.41 -0.85 -0.12 -1.01 -0.85 0.00 0.00 174.74 172.32 1of6 s HIS 223 N -3.79 2.47 0.37 1.40 3.76 -1.26 -0.50 115.29 117.75 1of6 s HIS 223 Ca 0.34 -1.59 0.06 0.00 -0.15 0.00 0.00 55.06 53.73 1of6 s HIS 223 Cb 0.03 -1.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.97 1of6 s HIS 223 CO 0.16 -0.75 0.01 -0.59 -0.85 0.00 0.00 174.74 172.72 1of6 s PHE 224 N 1.38 2.33 -0.60 1.40 -0.12 -0.34 -4.90 117.98 117.13 1of6 s PHE 224 Ca -0.00 -0.72 -0.21 0.00 -0.05 0.00 0.00 56.93 55.95 1of6 s PHE 224 Cb -0.16 -1.57 0.08 0.00 -0.63 0.00 0.00 43.02 40.74 1of6 s PHE 224 CO -0.09 0.34 0.81 -1.64 -0.05 0.00 0.00 175.22 174.60 1of6 s MET 225 N -3.75 3.11 0.00 1.99 -1.94 -1.26 -0.27 119.30 117.19 1of6 s MET 225 Ca 0.35 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1of6 s MET 225 Cb 0.08 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.73 1of6 s MET 225 CO 0.17 -1.58 0.00 0.41 -0.01 0.00 0.00 175.02 174.01 1of6 n GLY 226 N 5.26 3.70 3.26 -0.03 0.00 -0.62 -4.91 105.19 111.84 1of6 n GLY 226 Ca -0.06 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.62 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 0.60 1.58 0.82 1.61 -7.23 -1.26 -1.65 120.40 114.86 1of6 s VAL 227 Ca 0.00 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 1of6 s VAL 227 Cb 0.00 -1.45 0.08 0.00 0.56 0.00 0.00 36.38 35.57 1of6 s VAL 227 CO 0.00 -0.09 1.11 0.42 -0.31 0.00 0.00 175.10 176.24 1of6 s THR 228 N -1.17 2.78 0.62 5.32 -4.23 -0.21 -4.91 115.64 113.84 1of6 s THR 228 Ca 0.05 0.25 0.34 0.00 -1.18 0.00 0.00 61.69 61.14 1of6 s THR 228 Cb -0.10 -3.04 0.38 0.00 1.34 0.00 0.00 72.50 71.07 1of6 s THR 228 CO 0.04 -0.33 2.18 0.11 -0.54 0.00 0.00 174.62 176.07 1of6 h LYS 229 N -1.14 0.00 -0.35 3.99 1.79 -1.96 -1.67 116.57 117.24 1of6 h LYS 229 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1of6 h LYS 229 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1of6 h LYS 229 CO 0.61 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.70 1of6 n HIS 230 N -3.48 0.45 -0.23 -1.35 8.25 -1.26 0.12 115.22 117.72 1of6 n HIS 230 Ca -0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1of6 n HIS 230 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.40 0.87 3.66 -1.41 0.00 -0.63 -4.84 105.19 104.24 1of6 n GLY 231 Ca 0.18 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1of6 n GLY 231 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1of6 s VAL 232 N -2.00 4.84 0.17 1.61 -7.23 -1.26 -4.84 120.40 111.69 1of6 s VAL 232 Ca 0.00 -0.02 -0.34 0.00 -1.81 0.00 0.00 61.98 59.81 1of6 s VAL 232 Cb 0.00 -3.16 -0.15 0.00 0.56 0.00 0.00 36.38 33.63 1of6 s VAL 232 CO 0.00 0.48 1.42 0.00 -0.31 0.00 0.00 175.10 176.69 1of6 n ALA 233 N 3.29 0.46 -2.64 1.32 0.00 -1.26 -1.04 120.51 120.64 1of6 n ALA 233 Ca -0.17 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 1of6 n ALA 233 Cb 0.53 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 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 0.38 -0.04 -0.24 0.00 0.00 -0.66 -4.89 121.76 116.31 1of6 s ALA 234 Ca 0.76 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 1of6 s ALA 234 Cb -0.76 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1of6 s ALA 234 CO 0.45 -0.59 0.67 0.42 0.00 0.00 0.00 175.76 176.71 1of6 s ILE 235 N -3.93 4.96 -0.20 0.00 1.01 -1.26 -1.59 121.20 120.18 1of6 s ILE 235 Ca 0.13 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.98 1of6 s ILE 235 Cb 0.04 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1of6 s ILE 235 CO -0.04 0.03 -0.03 -0.89 0.00 0.00 0.00 174.94 174.01 1of6 s THR 236 N 2.43 3.64 -0.21 2.92 2.01 0.63 -4.93 115.64 122.13 1of6 s THR 236 Ca 0.29 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1of6 s THR 236 Cb -0.16 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1of6 s THR 236 CO 0.09 0.43 0.05 -0.89 -0.69 0.00 0.00 174.62 173.61 1of6 s THR 237 N 1.15 4.45 0.38 -0.82 2.01 -1.26 -1.20 115.64 120.35 1of6 s THR 237 Ca 0.02 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1of6 s THR 237 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1of6 s THR 237 CO 0.00 0.41 0.24 0.42 -0.69 0.00 0.00 174.62 175.00 1of6 s THR 238 N 0.94 2.75 -0.23 -0.82 -4.23 0.34 -4.98 115.64 109.41 1of6 s THR 238 Ca 0.03 -1.56 0.21 0.00 -1.18 0.00 0.00 61.69 59.20 1of6 s THR 238 Cb -0.14 -3.01 -0.31 0.00 1.34 0.00 0.00 72.50 70.38 1of6 s THR 238 CO 0.03 -0.07 0.55 1.17 -0.54 0.00 0.00 174.62 175.76 1of6 n LYS 239 N -1.32 0.55 0.00 3.99 4.81 -1.25 -3.95 118.16 120.99 1of6 n LYS 239 Ca -0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1of6 n LYS 239 Cb 0.62 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.17 1of6 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1of6 n GLY 240 N 1.34 -1.51 2.88 3.14 0.00 -0.72 -4.28 105.19 106.03 1of6 n GLY 240 Ca -0.02 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.58 3.00 0.00 1.61 3.84 0.11 -4.87 114.94 116.04 1of6 s ASN 241 Ca 0.00 -0.76 0.27 0.00 0.21 0.00 0.00 52.86 52.58 1of6 s ASN 241 Cb 0.00 -0.93 0.83 0.00 -0.55 0.00 0.00 41.25 40.60 1of6 s ASN 241 CO 0.00 -0.20 1.61 -1.84 -2.79 0.00 0.00 177.10 173.88 1of6 n GLU 242 N 4.86 1.07 -1.58 0.43 0.00 -1.26 -3.68 120.64 120.48 1of6 n GLU 242 Ca -0.12 -0.63 -0.31 0.00 0.00 0.00 0.00 57.16 56.10 1of6 n GLU 242 Cb 0.47 -1.49 0.06 0.00 0.00 0.00 0.00 31.44 30.48 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 -0.41 3.07 -4.16 -1.84 8.25 -1.26 -4.90 115.22 113.97 1of6 n HIS 243 Ca 0.14 -2.75 -0.35 0.00 -0.26 0.00 0.00 57.72 54.51 1of6 n HIS 243 Cb 0.35 -1.06 -0.08 0.00 1.12 0.00 0.00 29.99 30.33 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 -1.03 0.30 -0.13 0.00 -0.71 -0.52 -4.51 117.98 111.38 1of6 s PHE 245 Ca 0.17 -0.65 -0.09 0.00 -1.04 0.00 0.00 56.93 55.32 1of6 s PHE 245 Cb -0.12 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1of6 s PHE 245 CO 0.07 -0.82 0.17 0.08 -1.34 0.00 0.00 175.22 173.38 1of6 s VAL 246 N -3.96 5.44 -0.16 -2.49 1.01 -1.26 -1.04 120.40 117.93 1of6 s VAL 246 Ca 0.17 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 1of6 s VAL 246 Cb 0.02 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1of6 s VAL 246 CO 0.02 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 174.98 1of6 s ILE 247 N -0.63 3.54 -0.21 2.22 1.01 -0.37 -1.43 121.20 125.34 1of6 s ILE 247 Ca 0.14 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 1of6 s ILE 247 Cb -0.12 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1of6 s ILE 247 CO 0.03 0.49 0.48 -0.76 0.00 0.00 0.00 174.94 175.18 1of6 s LEU 248 N 0.61 4.14 -0.02 2.97 1.43 0.16 -1.79 118.68 126.18 1of6 s LEU 248 Ca -0.04 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1of6 s LEU 248 Cb -0.15 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1of6 s LEU 248 CO 0.03 -0.16 1.03 -2.11 0.23 0.00 0.00 176.35 175.36 1of6 n ARG 249 N 4.76 0.16 0.00 1.70 -4.01 -1.26 -0.97 116.66 117.05 1of6 n ARG 249 Ca -0.06 -1.25 0.00 0.00 -1.04 0.00 0.00 57.85 55.50 1of6 n ARG 249 Cb 0.51 -0.60 0.00 0.00 -3.04 0.00 0.00 32.46 29.32 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 -0.15 -0.92 0.00 2.89 0.00 -1.26 -2.04 105.19 103.71 1of6 n GLY 250 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.14 0.11 -0.02 0.00 -1.17 -4.22 105.19 100.03 1of6 n GLY 251 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 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 2.73 0.04 0.00 1.61 1.57 -1.49 -2.13 116.57 118.89 1of6 h LYS 252 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1of6 h LYS 252 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1of6 h LYS 252 CO 0.00 0.80 0.00 0.36 -0.57 0.00 0.00 179.45 180.04 1of6 n LYS 253 N -3.64 0.56 0.00 3.15 0.00 -0.92 -4.96 118.16 112.35 1of6 n LYS 253 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1of6 n LYS 253 Cb 0.75 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 34.62 1of6 n LYS 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1of6 n GLY 254 N 0.08 2.04 3.76 2.58 0.00 -0.80 -4.98 105.19 107.86 1of6 n GLY 254 Ca 0.04 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.05 2.41 -0.23 2.61 -4.23 -1.26 -3.04 115.64 109.85 1of6 s THR 255 Ca 0.00 0.31 0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1of6 s THR 255 Cb 0.00 -3.15 0.48 0.00 1.34 0.00 0.00 72.50 71.17 1of6 s THR 255 CO 0.00 -0.01 1.14 -0.46 -0.54 0.00 0.00 174.62 174.76 1of6 n ASN 256 N -0.89 2.23 -0.00 3.99 0.23 -1.26 -4.83 115.26 114.72 1of6 n ASN 256 Ca 0.10 -2.49 0.10 0.00 -0.53 0.00 0.00 54.58 51.76 1of6 n ASN 256 Cb 0.46 -0.43 -0.13 0.00 -2.08 0.00 0.00 39.78 37.61 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 -0.50 0.01 -1.95 -2.53 0.18 -1.26 -4.47 117.16 106.65 1of6 n TYR 257 Ca 0.16 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.64 1of6 n TYR 257 Cb 0.88 -0.14 0.06 0.00 -0.38 0.00 0.00 39.34 39.76 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 -3.40 5.17 0.32 9.48 -4.77 -1.26 -4.73 116.67 117.48 1of6 s ASP 258 Ca 0.04 0.97 -0.00 0.00 -3.30 0.00 0.00 52.55 50.26 1of6 s ASP 258 Cb 0.15 -1.69 0.52 0.00 -1.09 0.00 0.00 42.92 40.81 1of6 s ASP 258 CO 0.88 -1.49 1.97 0.00 0.70 0.00 0.00 175.17 177.23 1of6 h ALA 259 N -0.72 1.44 -0.46 2.11 0.00 -1.95 0.65 119.26 120.33 1of6 h ALA 259 Ca -0.45 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1of6 h ALA 259 Cb 1.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1of6 h ALA 259 CO 0.64 0.49 -0.17 -0.22 0.00 0.00 0.00 179.25 179.99 1of6 h LYS 260 N 0.97 0.93 -0.53 0.00 3.64 -1.99 -1.79 116.57 117.80 1of6 h LYS 260 Ca 0.26 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1of6 h LYS 260 Cb -0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1of6 h LYS 260 CO -0.05 1.04 0.34 0.77 -2.27 0.00 0.00 179.45 179.28 1of6 h SER 261 N 0.77 0.62 -0.25 4.20 0.02 -1.60 -1.26 113.55 116.04 1of6 h SER 261 Ca 0.11 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1of6 h SER 261 Cb 0.74 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1of6 h SER 261 CO 0.06 0.47 0.15 0.58 -1.14 0.00 0.00 176.83 176.95 1of6 h VAL 262 N 0.72 1.10 -0.19 2.27 2.07 -0.84 -0.46 116.25 120.93 1of6 h VAL 262 Ca 0.19 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1of6 h VAL 262 Cb -0.05 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1of6 h VAL 262 CO -0.04 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.61 1of6 h ALA 263 N 1.04 0.13 -0.94 1.67 0.00 -1.18 -1.18 119.26 118.80 1of6 h ALA 263 Ca 0.09 0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.28 1of6 h ALA 263 Cb 0.03 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1of6 h ALA 263 CO -0.02 -0.47 0.61 0.93 0.00 0.00 0.00 179.25 180.30 1of6 h GLU 264 N 0.01 0.44 0.20 0.00 5.08 -0.87 -1.30 114.58 118.13 1of6 h GLU 264 Ca 0.09 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.17 1of6 h GLU 264 Cb 0.13 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 29.32 1of6 h GLU 264 CO -0.19 0.29 -1.13 0.00 -1.00 0.00 0.00 179.01 176.99 1of6 h ALA 265 N 1.61 -0.13 -0.35 3.43 0.00 -0.28 -3.12 119.26 120.42 1of6 h ALA 265 Ca 0.50 -0.77 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1of6 h ALA 265 Cb 1.18 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1of6 h ALA 265 CO -0.21 0.52 0.24 0.87 0.00 0.00 0.00 179.25 180.67 1of6 h LYS 266 N -0.13 0.27 0.00 0.00 1.57 -0.67 -1.84 116.57 115.78 1of6 h LYS 266 Ca -0.20 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1of6 h LYS 266 Cb 1.89 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.14 1of6 h LYS 266 CO 0.21 0.18 -0.02 0.00 -0.57 0.00 0.00 179.45 179.25 1of6 h ALA 267 N 1.81 0.99 0.00 3.86 0.00 -1.29 -2.87 119.26 121.76 1of6 h ALA 267 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1of6 h ALA 267 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1of6 h ALA 267 CO -0.03 0.02 -0.43 1.96 0.00 0.00 0.00 179.25 180.77 1of6 h GLN 268 N 0.00 0.00 -6.49 0.00 4.20 -1.28 -3.46 115.11 108.08 1of6 h GLN 268 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1of6 h GLN 268 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1of6 h GLN 268 CO 0.00 0.19 0.56 -0.51 -0.67 0.00 0.00 178.83 178.40 1of6 s LEU 269 N -6.14 4.37 0.43 1.46 1.43 -1.00 -5.02 118.68 114.21 1of6 s LEU 269 Ca 0.04 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.93 1of6 s LEU 269 Cb 0.07 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 1of6 s LEU 269 CO 0.72 -0.47 1.14 -2.16 0.23 0.00 0.00 176.35 175.82 1of6 s PRO 270 N 1.01 3.95 0.29 1.29 0.04 -1.26 -4.97 135.00 135.35 1of6 s PRO 270 Ca 0.59 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 63.11 1of6 s PRO 270 Cb -0.30 -2.53 -0.16 0.00 0.04 0.00 0.00 34.50 31.56 1of6 s PRO 270 CO 0.29 -0.38 0.52 0.00 0.04 0.00 0.00 177.00 177.47 1of6 n ALA 271 N -0.20 -2.27 -0.82 8.56 0.00 -1.26 -1.68 120.51 122.85 1of6 n ALA 271 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1of6 n ALA 271 Cb 0.48 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.91 0.67 3.78 0.00 0.00 -1.26 -5.04 105.19 105.25 1of6 n GLY 272 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1of6 n GLY 272 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1of6 s SER 273 N -2.25 5.61 0.77 1.61 0.01 -0.67 -5.05 113.70 113.73 1of6 s SER 273 Ca 0.00 1.99 -0.12 0.00 1.31 0.00 0.00 55.95 59.13 1of6 s SER 273 Cb 0.00 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.73 1of6 s SER 273 CO 0.00 -1.28 1.14 0.20 0.41 0.00 0.00 173.24 173.71 1of6 s ASN 274 N -2.34 4.81 0.88 2.44 0.01 -1.26 -4.96 114.94 114.52 1of6 s ASN 274 Ca 0.68 0.94 -0.13 0.00 -0.71 0.00 0.00 52.86 53.64 1of6 s ASN 274 Cb -0.20 -1.55 0.12 0.00 0.41 0.00 0.00 41.25 40.03 1of6 s ASN 274 CO 0.33 -1.73 1.16 -0.83 -1.51 0.00 0.00 177.10 174.53 1of6 s GLY 275 N -4.45 1.59 0.12 0.66 0.00 0.11 -4.84 107.32 100.51 1of6 s GLY 275 Ca 0.61 -0.62 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 1of6 s GLY 275 CO 0.50 -0.07 0.50 1.08 0.00 0.00 0.00 173.10 175.11 1of6 s LEU 276 N -5.86 4.34 -0.07 0.66 1.43 -0.15 -4.35 118.68 114.69 1of6 s LEU 276 Ca 0.64 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1of6 s LEU 276 Cb -0.13 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1of6 s LEU 276 CO 0.52 0.13 -0.14 -0.32 0.23 0.00 0.00 176.35 176.76 1of6 s MET 277 N -1.94 2.76 -0.17 1.70 -2.45 -0.52 -1.37 119.30 117.31 1of6 s MET 277 Ca 0.36 -0.70 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1of6 s MET 277 Cb -0.15 -2.45 -0.01 0.00 1.25 0.00 0.00 34.83 33.48 1of6 s MET 277 CO 0.19 0.50 -0.09 0.42 1.05 0.00 0.00 175.02 177.09 1of6 s ILE 278 N -0.40 3.22 -0.24 10.11 1.01 -0.53 0.35 121.20 134.73 1of6 s ILE 278 Ca 0.05 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 1of6 s ILE 278 Cb -0.12 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 1of6 s ILE 278 CO 0.02 0.48 0.62 -0.62 0.00 0.00 0.00 174.94 175.44 1of6 s ASP 279 N 0.85 6.60 0.41 3.58 -1.08 -0.14 -0.92 116.67 125.97 1of6 s ASP 279 Ca -0.03 0.74 0.26 0.00 -0.52 0.00 0.00 52.55 53.00 1of6 s ASP 279 Cb -0.15 -2.34 0.72 0.00 -1.46 0.00 0.00 42.92 39.69 1of6 s ASP 279 CO 0.01 -0.33 1.74 1.88 0.52 0.00 0.00 175.17 178.98 1of6 h TYR 280 N 7.77 0.00 -4.20 -5.34 -1.99 -1.65 -3.43 116.97 108.13 1of6 h TYR 280 Ca -0.28 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.40 1of6 h TYR 280 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1of6 h TYR 280 CO 0.74 0.00 -0.01 0.45 -0.00 0.00 0.00 178.16 179.34 1of6 n SER 281 N -2.87 0.42 0.00 3.88 2.88 -1.26 -3.13 113.62 113.54 1of6 n SER 281 Ca 0.03 -1.14 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 1of6 n SER 281 Cb 0.44 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.98 0.00 -0.25 0.66 8.25 -1.26 -2.52 115.22 119.13 1of6 n HIS 282 Ca 0.01 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.74 1of6 n HIS 282 Cb 0.05 0.02 0.65 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 0.38 1.55 -1.41 0.00 -1.72 -2.25 103.07 99.61 1of6 h GLY 283 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1of6 h GLY 283 CO 0.00 -0.03 -0.27 0.70 0.00 0.00 0.00 176.54 176.95 1of6 n ASN 284 N -4.36 0.44 -0.56 0.19 3.02 -1.05 -2.92 115.26 110.02 1of6 n ASN 284 Ca 0.21 0.23 0.07 0.00 -0.03 0.00 0.00 54.58 55.06 1of6 n ASN 284 Cb 0.96 -0.21 0.08 0.00 -0.61 0.00 0.00 39.78 39.99 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 2.26 -3.58 6.41 3.41 -0.86 -4.83 113.62 114.66 1of6 n SER 285 Ca 0.06 -1.62 -0.20 0.00 -0.26 0.00 0.00 58.87 56.84 1of6 n SER 285 Cb 0.38 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1of6 n SER 285 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1of6 n ASN 286 N 0.73 -2.00 -1.80 4.04 3.02 -1.14 -2.37 115.26 115.73 1of6 n ASN 286 Ca 0.09 -0.76 -0.21 0.00 -0.03 0.00 0.00 54.58 53.67 1of6 n ASN 286 Cb 0.35 -4.46 -0.07 0.00 -0.61 0.00 0.00 39.78 35.00 1of6 n ASN 286 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1of6 n LYS 287 N -4.15 -1.49 -3.54 3.52 2.85 -1.26 -4.94 118.16 109.15 1of6 n LYS 287 Ca -0.27 1.16 -0.23 0.00 -1.05 0.00 0.00 58.31 57.92 1of6 n LYS 287 Cb 0.67 -5.61 -0.15 0.00 -0.65 0.00 0.00 35.03 29.29 1of6 n LYS 287 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1of6 s ASP 288 N -2.58 2.07 0.62 -5.58 -1.08 -1.00 -5.01 116.67 104.11 1of6 s ASP 288 Ca 0.00 -0.55 0.30 0.00 -0.52 0.00 0.00 52.55 51.78 1of6 s ASP 288 Cb 0.00 0.04 1.67 0.00 -1.46 0.00 0.00 42.92 43.17 1of6 s ASP 288 CO 0.00 -0.35 2.03 2.19 0.52 0.00 0.00 175.17 179.55 1of6 h PHE 289 N 8.37 0.00 0.00 -5.34 -0.00 -1.84 -1.23 116.94 116.90 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 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.08 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 -1.92 -2.56 114.38 119.07 1of6 h ARG 290 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1of6 h ARG 290 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 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 -2.54 0.00 -0.04 7.04 3.02 -0.46 -3.93 115.26 118.34 1of6 n ASN 291 Ca 0.01 -0.24 -0.16 0.00 -0.03 0.00 0.00 54.58 54.16 1of6 n ASN 291 Cb 0.21 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.72 0.00 3.52 4.20 -1.65 -0.28 115.11 121.62 1of6 h GLN 292 Ca 0.00 -0.53 -0.07 0.00 0.06 0.00 0.00 58.65 58.11 1of6 h GLN 292 Cb 0.16 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1of6 h GLN 292 CO 0.00 1.15 -0.31 -1.35 -0.67 0.00 0.00 178.83 177.65 1of6 h PRO 293 N 0.42 0.00 -0.26 1.46 0.11 -1.81 -1.13 132.00 130.79 1of6 h PRO 293 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1of6 h PRO 293 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1of6 h PRO 293 CO 0.13 0.31 0.11 0.87 -0.21 0.00 0.00 178.00 179.21 1of6 h LYS 294 N 0.00 0.39 -0.83 1.05 6.56 -1.67 -1.85 116.57 120.22 1of6 h LYS 294 Ca -0.00 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 1of6 h LYS 294 Cb 0.58 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 32.14 1of6 h LYS 294 CO 0.04 0.41 0.40 0.28 -2.06 0.00 0.00 179.45 178.53 1of6 h VAL 295 N 0.27 1.25 -0.57 0.50 2.07 -0.97 -2.52 116.25 116.28 1of6 h VAL 295 Ca 0.09 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1of6 h VAL 295 Cb 0.17 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1of6 h VAL 295 CO -0.01 0.30 0.27 -1.13 0.02 0.00 0.00 177.57 177.03 1of6 h ASN 296 N 1.18 0.37 -0.17 0.57 -1.24 -0.91 -0.17 115.58 115.20 1of6 h ASN 296 Ca 0.29 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.33 1of6 h ASN 296 Cb 0.11 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1of6 h ASN 296 CO -0.04 0.25 0.07 0.44 -1.29 0.00 0.00 177.43 176.85 1of6 h ASP 297 N 0.52 0.24 -0.62 1.15 3.32 -0.94 0.21 116.42 120.30 1of6 h ASP 297 Ca 0.26 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1of6 h ASP 297 Cb 0.21 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1of6 h ASP 297 CO -0.20 0.34 0.39 0.58 -1.72 0.00 0.00 179.24 178.63 1of6 h VAL 298 N 0.11 1.17 0.04 -1.35 2.07 -1.36 1.00 116.25 117.93 1of6 h VAL 298 Ca 0.06 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1of6 h VAL 298 Cb 0.18 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1of6 h VAL 298 CO -0.00 0.18 -0.34 0.58 0.02 0.00 0.00 177.57 178.01 1of6 h VAL 299 N 0.86 1.61 -0.76 2.57 2.07 -0.03 -2.98 116.25 119.58 1of6 h VAL 299 Ca 0.23 -2.22 0.10 0.00 0.82 0.00 0.00 66.70 65.63 1of6 h VAL 299 Cb -0.05 3.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 1of6 h VAL 299 CO -0.04 0.61 0.40 0.00 0.02 0.00 0.00 177.57 178.55 1of6 h GLU 301 N 0.66 0.07 -0.10 0.00 4.22 -0.78 -0.13 114.58 118.51 1of6 h GLU 301 Ca 0.38 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.80 1of6 h GLU 301 Cb 0.40 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1of6 h GLU 301 CO -0.28 0.05 0.00 1.96 -2.18 0.00 0.00 179.01 178.56 1of6 h GLN 302 N 0.07 0.18 -0.87 1.92 4.20 -1.25 -1.87 115.11 117.49 1of6 h GLN 302 Ca 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1of6 h GLN 302 Cb 0.43 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1of6 h GLN 302 CO -0.50 0.43 0.46 0.82 -0.67 0.00 0.00 178.83 179.37 1of6 h ILE 303 N -0.09 1.26 0.00 2.54 2.04 -1.04 -1.71 117.51 120.51 1of6 h ILE 303 Ca 0.03 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1of6 h ILE 303 Cb 0.35 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1of6 h ILE 303 CO 0.01 0.30 -0.29 0.00 0.00 0.00 0.00 178.15 178.17 1of6 h ALA 304 N 1.25 0.90 -0.14 1.87 0.00 -0.91 -2.69 119.26 119.54 1of6 h ALA 304 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1of6 h ALA 304 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1of6 h ALA 304 CO -0.04 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1of6 n ASN 305 N -3.29 1.88 0.00 0.00 3.02 -0.71 -4.19 115.26 111.97 1of6 n ASN 305 Ca 0.01 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 1of6 n ASN 305 Cb 0.55 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.24 0.35 3.59 7.41 0.00 -1.01 -5.04 105.19 110.73 1of6 n GLY 306 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.98 3.21 0.01 1.61 2.56 -0.66 -4.85 118.70 119.60 1of6 s GLU 307 Ca 0.00 1.41 0.23 0.00 0.00 0.00 0.00 54.97 56.61 1of6 s GLU 307 Cb 0.00 -4.24 0.12 0.00 2.00 0.00 0.00 34.13 32.00 1of6 s GLU 307 CO 0.00 -2.00 1.13 0.09 -0.56 0.00 0.00 175.26 173.92 1of6 n ASN 308 N 10.81 0.73 0.09 -1.70 5.03 -1.26 -4.21 115.26 124.74 1of6 n ASN 308 Ca 0.24 -0.56 0.12 0.00 0.87 0.00 0.00 54.58 55.25 1of6 n ASN 308 Cb 0.47 0.67 0.27 0.00 -1.02 0.00 0.00 39.78 40.17 1of6 n ASN 308 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1of6 h ALA 309 N 2.93 0.79 -1.56 5.41 0.00 -1.96 -3.40 119.26 121.46 1of6 h ALA 309 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1of6 h ALA 309 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1of6 h ALA 309 CO 0.00 0.00 0.89 0.42 0.00 0.00 0.00 179.25 180.56 1of6 s ILE 310 N -3.15 4.02 -0.52 0.00 1.01 -1.26 -0.97 121.20 120.33 1of6 s ILE 310 Ca 0.08 0.50 0.08 0.00 0.00 0.00 0.00 60.65 61.31 1of6 s ILE 310 Cb 0.12 -4.75 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 1of6 s ILE 310 CO 0.67 -1.48 0.43 0.35 0.00 0.00 0.00 174.94 174.90 1of6 n THR 311 N 6.42 0.00 -3.97 2.92 -2.24 -0.47 -4.95 114.28 111.98 1of6 n THR 311 Ca 0.04 -0.37 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 1of6 n THR 311 Cb 0.48 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.47 0.27 0.05 3.38 0.00 -0.87 -1.17 107.32 107.51 1of6 s GLY 312 Ca 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 1of6 s GLY 312 CO 0.26 -0.99 0.13 -1.34 0.00 0.00 0.00 173.10 171.16 1of6 s VAL 313 N -3.58 0.14 0.01 1.40 -7.23 0.04 -1.45 120.40 109.73 1of6 s VAL 313 Ca 0.03 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.14 1of6 s VAL 313 Cb 0.05 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 1of6 s VAL 313 CO -0.09 -0.61 -0.16 -0.32 -0.31 0.00 0.00 175.10 173.61 1of6 s MET 314 N -2.97 1.16 -0.07 4.82 0.00 -0.10 -0.88 119.30 121.26 1of6 s MET 314 Ca -0.02 -0.66 -0.04 0.00 0.00 0.00 0.00 55.69 54.97 1of6 s MET 314 Cb 0.01 -1.16 0.03 0.00 0.00 0.00 0.00 34.83 33.71 1of6 s MET 314 CO -0.06 0.31 0.17 0.42 0.00 0.00 0.00 175.02 175.85 1of6 s ILE 315 N -0.57 -0.03 -0.47 10.11 1.01 0.19 -1.77 121.20 129.67 1of6 s ILE 315 Ca 0.05 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 1of6 s ILE 315 Cb -0.07 -0.26 0.05 0.00 0.01 0.00 0.00 42.46 42.19 1of6 s ILE 315 CO 0.00 0.04 0.49 -1.61 0.00 0.00 0.00 174.94 173.87 1of6 s GLU 316 N 0.80 3.06 -0.02 2.79 2.02 -1.25 -1.90 118.70 124.19 1of6 s GLU 316 Ca -0.06 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.92 1of6 s GLU 316 Cb -0.08 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.08 1of6 s GLU 316 CO -0.04 -1.05 -0.08 0.45 0.02 0.00 0.00 175.26 174.55 1of6 s SER 317 N 2.43 1.09 0.31 -0.19 0.15 0.13 -2.05 113.70 115.57 1of6 s SER 317 Ca 0.10 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.62 1of6 s SER 317 Cb -0.21 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1of6 s SER 317 CO 0.10 0.07 0.13 -3.20 1.20 0.00 0.00 173.24 171.54 1of6 n ASN 318 N 3.20 0.89 0.05 5.45 2.85 0.20 -0.20 115.26 127.70 1of6 n ASN 318 Ca -0.17 -2.70 -0.12 0.00 -0.11 0.00 0.00 54.58 51.48 1of6 n ASN 318 Cb 0.55 0.89 -0.06 0.00 1.24 0.00 0.00 39.78 42.40 1of6 n ASN 318 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1of6 h ILE 319 N 1.58 0.88 -2.88 -1.44 2.04 -1.84 -1.80 117.51 114.04 1of6 h ILE 319 Ca -0.24 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.01 1of6 h ILE 319 Cb 0.95 0.88 -0.17 0.00 -0.74 0.00 0.00 36.82 37.74 1of6 h ILE 319 CO 0.37 0.00 -0.79 0.20 0.00 0.00 0.00 178.15 177.93 1of6 s ASN 320 N -5.12 3.32 0.75 1.72 0.01 -0.79 -1.96 114.94 112.88 1of6 s ASN 320 Ca -0.14 -0.93 -0.11 0.00 -0.71 0.00 0.00 52.86 50.98 1of6 s ASN 320 Cb 0.07 -0.25 0.05 0.00 0.41 0.00 0.00 41.25 41.53 1of6 s ASN 320 CO 0.66 0.06 1.12 -1.83 -1.51 0.00 0.00 177.10 175.60 1of6 s GLU 321 N -3.01 2.37 1.57 -0.60 -1.05 -1.26 -4.32 118.70 112.40 1of6 s GLU 321 Ca 0.23 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 1of6 s GLU 321 Cb -0.06 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 1of6 s GLU 321 CO 0.11 -1.30 0.00 0.41 0.95 0.00 0.00 175.26 175.43 1of6 n GLY 322 N -3.12 -1.66 3.47 -3.83 0.00 -0.05 -4.85 105.19 95.14 1of6 n GLY 322 Ca 0.07 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 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 1.11 0.02 1.61 4.22 -1.26 -2.66 114.94 113.98 1of6 s ASN 323 Ca 0.00 -1.56 -0.14 0.00 -2.14 0.00 0.00 52.86 49.01 1of6 s ASN 323 Cb 0.00 0.67 0.02 0.00 1.28 0.00 0.00 41.25 43.22 1of6 s ASN 323 CO 0.00 -1.30 0.31 0.00 -2.04 0.00 0.00 177.10 174.07 1of6 s GLN 324 N -2.99 0.76 0.75 3.55 -2.07 -0.64 -4.93 119.66 114.09 1of6 s GLN 324 Ca 0.32 -0.38 -0.09 0.00 -1.82 0.00 0.00 55.36 53.39 1of6 s GLN 324 Cb -0.00 0.33 0.07 0.00 -1.09 0.00 0.00 33.01 32.32 1of6 s GLN 324 CO 0.22 -0.23 1.09 0.20 -1.32 0.00 0.00 175.29 175.25 1of6 s GLY 325 N -1.78 1.65 -0.18 2.60 0.00 -1.26 -4.41 107.32 103.93 1of6 s GLY 325 Ca -0.08 -0.82 -0.26 0.00 0.00 0.00 0.00 44.72 43.56 1of6 s GLY 325 CO -0.00 -0.37 0.86 -0.42 0.00 0.00 0.00 173.10 173.16 1of6 s ILE 326 N -3.39 4.85 0.00 0.90 1.01 -1.26 -4.93 121.20 118.38 1of6 s ILE 326 Ca 0.61 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.94 1of6 s ILE 326 Cb -0.11 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1of6 s ILE 326 CO 0.47 -0.00 0.00 -2.65 0.00 0.00 0.00 174.94 172.75 1of6 n PRO 327 N 5.41 0.87 -2.24 2.79 -0.02 -1.26 -5.12 135.00 135.42 1of6 n PRO 327 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 1of6 n PRO 327 Cb 0.48 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.01 1of6 n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1of6 n ALA 328 N -3.00 2.82 -0.28 3.55 0.00 -1.26 -5.03 120.51 117.31 1of6 n ALA 328 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1of6 n ALA 328 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1of6 n ALA 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1of6 n ALA 332 N -0.56 0.00 1.93 0.00 0.00 -1.26 -5.07 120.51 115.54 1of6 n ALA 332 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1of6 n ALA 332 Cb 0.88 -0.07 0.24 0.00 0.00 0.00 0.00 19.45 20.50 1of6 n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1of6 n GLY 333 N 0.00 -0.88 3.74 0.00 0.00 -1.26 -4.95 105.19 101.84 1of6 n GLY 333 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.25 4.36 0.34 0.99 1.02 -1.26 -4.93 118.68 117.95 1of6 s LEU 334 Ca 0.13 2.81 -0.28 0.00 0.02 0.00 0.00 54.13 56.81 1of6 s LEU 334 Cb 0.06 -3.62 -0.10 0.00 0.02 0.00 0.00 46.19 42.55 1of6 s LEU 334 CO 0.10 -0.85 1.23 -1.59 0.02 0.00 0.00 176.35 175.27 1of6 s LYS 335 N -0.03 4.35 0.29 1.70 -2.85 -1.26 -4.99 119.74 116.94 1of6 s LYS 335 Ca 0.64 2.05 -0.29 0.00 -1.00 0.00 0.00 55.97 57.37 1of6 s LYS 335 Cb -0.46 -3.01 -0.10 0.00 -2.06 0.00 0.00 37.83 32.20 1of6 s LYS 335 CO 0.42 -0.14 1.18 -0.47 0.10 0.00 0.00 175.35 176.44 1of6 s TYR 336 N -1.20 3.39 -0.68 1.78 5.04 -1.26 -3.58 117.35 120.84 1of6 s TYR 336 Ca 0.50 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.71 1of6 s TYR 336 Cb -0.36 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1of6 s TYR 336 CO 0.47 -1.04 0.00 0.41 -1.34 0.00 0.00 175.55 174.05 1of6 n GLY 337 N 1.13 0.49 3.03 8.97 0.00 -1.26 -4.81 105.19 112.73 1of6 n GLY 337 Ca -0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.31 1.05 0.40 1.61 1.01 -1.23 -1.88 120.40 119.05 1of6 s VAL 338 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1of6 s VAL 338 Cb 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 1of6 s VAL 338 CO 0.00 0.33 1.40 -0.55 0.00 0.00 0.00 175.10 176.28 1of6 s SER 339 N 0.43 6.22 0.00 3.32 0.15 -1.25 -4.75 113.70 117.82 1of6 s SER 339 Ca -0.09 2.87 0.21 0.00 0.70 0.00 0.00 55.95 59.63 1of6 s SER 339 Cb -0.13 -2.65 0.53 0.00 -1.71 0.00 0.00 66.02 62.06 1of6 s SER 339 CO 0.02 -0.93 1.45 2.30 1.20 0.00 0.00 173.24 177.28 1of6 n ILE 340 N 0.19 0.65 0.00 6.45 -5.35 -1.26 -1.62 119.36 118.41 1of6 n ILE 340 Ca 0.03 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 1of6 n ILE 340 Cb 0.41 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.30 0.00 -2.24 7.28 -2.24 -1.26 -4.81 114.28 112.31 1of6 n THR 341 Ca 0.20 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.62 1of6 n THR 341 Cb 0.54 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 5.95 0.31 3.42 1.01 -1.26 -4.76 116.67 122.34 1of6 s ASP 342 Ca 0.00 2.27 -0.29 0.00 0.71 0.00 0.00 52.55 55.24 1of6 s ASP 342 Cb 0.00 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 1of6 s ASP 342 CO 0.00 -1.06 1.32 0.00 0.21 0.00 0.00 175.17 175.64 1of6 s ALA 343 N -1.63 3.51 0.24 5.23 0.00 -1.26 -4.63 121.76 123.22 1of6 s ALA 343 Ca 0.68 1.26 0.11 0.00 0.00 0.00 0.00 51.96 54.01 1of6 s ALA 343 Cb -0.27 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1of6 s ALA 343 CO 0.32 -0.64 -0.21 0.00 0.00 0.00 0.00 175.76 175.22 1of6 s ILE 345 N -2.21 4.03 0.97 0.00 -4.36 -0.87 -0.87 121.20 117.88 1of6 s ILE 345 Ca 0.26 1.59 -0.12 0.00 -0.26 0.00 0.00 60.65 62.11 1of6 s ILE 345 Cb -0.06 -3.84 0.17 0.00 1.25 0.00 0.00 42.46 39.99 1of6 s ILE 345 CO 0.12 0.04 1.09 -0.83 0.24 0.00 0.00 174.94 175.60 1of6 s GLY 346 N -1.64 1.59 0.11 6.27 0.00 -1.26 -0.63 107.32 111.76 1of6 s GLY 346 Ca 0.54 -0.18 -0.21 0.00 0.00 0.00 0.00 44.72 44.87 1of6 s GLY 346 CO 0.24 0.38 1.73 -0.25 0.00 0.00 0.00 173.10 175.21 1of6 h TRP 347 N -1.82 -0.00 -0.70 1.90 2.91 -0.65 -1.86 115.95 115.73 1of6 h TRP 347 Ca -0.53 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.47 1of6 h TRP 347 Cb 1.31 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.94 1of6 h TRP 347 CO 0.35 -0.01 0.33 0.93 -1.03 0.00 0.00 178.44 179.01 1of6 h GLU 348 N 0.04 1.01 -0.82 2.65 3.07 -1.89 0.66 114.58 119.30 1of6 h GLU 348 Ca 0.05 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1of6 h GLU 348 Cb 0.05 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 1of6 h GLU 348 CO -0.08 0.80 0.54 1.15 -1.40 0.00 0.00 179.01 180.02 1of6 h THR 349 N 0.97 1.21 -0.53 1.13 2.02 -1.91 -2.59 112.91 113.21 1of6 h THR 349 Ca 0.24 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1of6 h THR 349 Cb 0.13 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1of6 h THR 349 CO -0.03 0.21 0.23 0.74 0.37 0.00 0.00 175.52 177.03 1of6 h THR 350 N 1.11 1.21 -0.53 3.16 2.02 -0.08 0.60 112.91 120.40 1of6 h THR 350 Ca 0.30 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 1of6 h THR 350 Cb -0.12 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1of6 h THR 350 CO -0.06 0.25 -0.11 -0.08 0.37 0.00 0.00 175.52 175.89 1of6 h GLU 351 N 0.72 1.01 0.52 6.66 4.81 -0.95 -1.15 114.58 126.20 1of6 h GLU 351 Ca 0.18 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1of6 h GLU 351 Cb 0.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1of6 h GLU 351 CO -0.02 1.06 -0.37 0.22 -0.73 0.00 0.00 179.01 179.17 1of6 h ASP 352 N 0.88 -0.97 -0.90 1.04 1.82 -1.24 -1.91 116.42 115.14 1of6 h ASP 352 Ca 0.14 0.07 0.10 0.00 -0.39 0.00 0.00 57.03 56.94 1of6 h ASP 352 Cb 0.68 0.30 -0.08 0.00 0.68 0.00 0.00 39.33 40.91 1of6 h ASP 352 CO 0.05 -0.56 0.54 0.58 -1.61 0.00 0.00 179.24 178.24 1of6 h VAL 353 N -0.87 0.93 0.06 2.25 2.07 -0.61 -1.55 116.25 118.53 1of6 h VAL 353 Ca -0.06 -0.31 -0.24 0.00 0.82 0.00 0.00 66.70 66.92 1of6 h VAL 353 Cb 0.73 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1of6 h VAL 353 CO 0.02 0.16 -1.09 -0.07 0.02 0.00 0.00 177.57 176.62 1of6 h LEU 354 N 0.89 0.29 -0.25 2.57 3.38 -1.15 -1.70 115.31 119.34 1of6 h LEU 354 Ca 0.43 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1of6 h LEU 354 Cb 0.39 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1of6 h LEU 354 CO -0.25 1.19 -0.24 0.03 0.09 0.00 0.00 178.44 179.26 1of6 h ARG 355 N 0.07 0.60 -0.54 1.13 3.08 -1.07 -0.81 114.38 116.84 1of6 h ARG 355 Ca -0.08 -0.31 0.10 0.00 0.07 0.00 0.00 59.98 59.75 1of6 h ARG 355 Cb 1.81 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.78 1of6 h ARG 355 CO 0.17 0.91 0.08 0.87 -1.07 0.00 0.00 179.97 180.93 1of6 h LYS 356 N 0.31 0.20 -0.12 0.04 1.57 -1.32 -1.09 116.57 116.17 1of6 h LYS 356 Ca 0.04 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1of6 h LYS 356 Cb 0.80 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1of6 h LYS 356 CO 0.06 0.13 -0.50 1.25 -0.57 0.00 0.00 179.45 179.83 1of6 h LEU 357 N 0.21 0.34 -0.91 2.94 5.85 -1.18 -1.40 115.31 121.16 1of6 h LEU 357 Ca 0.28 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1of6 h LEU 357 Cb 0.41 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1of6 h LEU 357 CO -0.39 0.78 0.41 0.00 -0.34 0.00 0.00 178.44 178.91 1of6 h ALA 358 N 1.23 1.15 -0.24 1.25 0.00 -0.81 -1.30 119.26 120.53 1of6 h ALA 358 Ca 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1of6 h ALA 358 Cb 0.97 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1of6 h ALA 358 CO 0.08 0.65 -0.47 0.00 0.00 0.00 0.00 179.25 179.51 1of6 h ALA 359 N 1.27 0.72 -0.76 0.00 0.00 -0.83 -1.60 119.26 118.05 1of6 h ALA 359 Ca 0.29 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1of6 h ALA 359 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1of6 h ALA 359 CO -0.04 0.67 0.47 0.00 0.00 0.00 0.00 179.25 180.35 1of6 h ALA 360 N 0.96 1.02 0.00 0.00 0.00 -1.12 -1.45 119.26 118.68 1of6 h ALA 360 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1of6 h ALA 360 Cb 1.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1of6 h ALA 360 CO 0.09 0.22 -0.41 0.28 0.00 0.00 0.00 179.25 179.44 1of6 h VAL 361 N 0.89 1.22 -0.08 0.00 2.07 -0.88 -1.47 116.25 118.00 1of6 h VAL 361 Ca 0.32 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1of6 h VAL 361 Cb 0.10 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1of6 h VAL 361 CO -0.14 0.40 -0.09 0.03 0.02 0.00 0.00 177.57 177.79 1of6 h ARG 362 N 0.00 0.20 0.00 1.57 3.08 -0.91 -2.74 114.38 115.57 1of6 h ARG 362 Ca -0.00 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1of6 h ARG 362 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1of6 h ARG 362 CO 0.05 0.64 -0.16 0.37 -1.07 0.00 0.00 179.97 179.80 1of6 h GLN 363 N -0.24 0.00 -0.14 0.04 5.75 -1.04 -2.49 115.11 116.99 1of6 h GLN 363 Ca 0.01 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 1of6 h GLN 363 Cb 0.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1of6 h GLN 363 CO 0.02 0.16 -0.29 -0.09 -2.65 0.00 0.00 178.83 175.98 1of6 h ARG 364 N 0.00 0.45 -0.92 1.69 2.43 -1.31 -2.49 114.38 114.23 1of6 h ARG 364 Ca -0.00 -0.29 0.26 0.00 -0.81 0.00 0.00 59.98 59.13 1of6 h ARG 364 Cb 0.29 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1of6 h ARG 364 CO 0.02 0.90 0.65 -0.09 -1.51 0.00 0.00 179.97 179.94 1of6 h ARG 365 N 0.05 0.08 0.06 0.20 2.43 -1.13 -1.25 114.38 114.83 1of6 h ARG 365 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1of6 h ARG 365 Cb 0.89 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1of6 h ARG 365 CO 0.07 0.05 -0.03 0.93 -1.51 0.00 0.00 179.97 179.48 1of6 h GLU 366 N 0.08 -0.08 0.00 0.20 4.39 -1.44 -3.52 114.58 114.22 1of6 h GLU 366 Ca 0.45 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1of6 h GLU 366 Cb 1.65 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1of6 h GLU 366 CO -0.05 0.46 0.00 0.28 -1.16 0.00 0.00 179.01 178.54