#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f50 n GLY 6 N 0.00 -1.00 3.56 3.38 0.00 -1.26 -4.67 105.19 105.20 1f50 n GLY 6 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1f50 n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f50 s ARG 7 N -2.01 3.52 0.56 1.61 0.52 -1.26 -4.89 118.95 116.99 1f50 s ARG 7 Ca 0.47 0.04 0.26 0.00 -0.52 0.00 0.00 55.73 55.98 1f50 s ARG 7 Cb 0.22 -3.90 1.63 0.00 0.52 0.00 0.00 34.95 33.42 1f50 s ARG 7 CO 0.37 -1.06 2.20 -1.00 0.02 0.00 0.00 175.30 175.83 1f50 h PRO 8 N 8.86 0.00 0.00 3.54 0.13 -2.02 0.56 132.00 143.07 1f50 h PRO 8 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1f50 h PRO 8 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1f50 h PRO 8 CO 0.96 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.90 1f50 n GLU 9 N -3.97 0.01 -0.27 0.86 0.00 -1.26 -3.85 120.64 112.16 1f50 n GLU 9 Ca -0.03 0.22 0.07 0.00 0.00 0.00 0.00 57.16 57.42 1f50 n GLU 9 Cb 0.11 -1.52 0.21 0.00 0.00 0.00 0.00 31.44 30.24 1f50 n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1f50 h TRP 10 N 0.00 0.55 -0.93 -1.84 5.08 -0.22 -2.06 115.95 116.52 1f50 h TRP 10 Ca 0.00 0.04 0.05 0.00 1.08 0.00 0.00 58.89 60.06 1f50 h TRP 10 Cb 0.30 -0.12 -0.06 0.00 -3.00 0.00 0.00 29.16 26.27 1f50 h TRP 10 CO 0.00 0.06 0.61 0.97 -1.28 0.00 0.00 178.44 178.80 1f50 h ILE 11 N 0.45 1.12 -0.14 0.12 6.09 -1.78 0.61 117.51 123.98 1f50 h ILE 11 Ca 0.44 -0.39 -0.15 0.00 -1.37 0.00 0.00 64.86 63.40 1f50 h ILE 11 Cb 0.69 -0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.87 1f50 h ILE 11 CO -0.42 0.21 -0.55 -0.50 -3.07 0.00 0.00 178.15 173.82 1f50 h TRP 12 N 1.12 0.52 -0.25 2.19 -0.00 -1.66 0.28 115.95 118.15 1f50 h TRP 12 Ca 0.39 -0.18 -0.13 0.00 -0.00 0.00 0.00 58.89 58.96 1f50 h TRP 12 Cb 0.10 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 1f50 h TRP 12 CO -0.00 0.87 -0.38 -0.07 -0.00 0.00 0.00 178.44 178.87 1f50 h LEU 13 N 0.32 0.60 0.15 -4.49 3.38 -0.72 0.41 115.31 114.97 1f50 h LEU 13 Ca 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1f50 h LEU 13 Cb 1.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1f50 h LEU 13 CO 0.10 0.92 -0.07 0.00 0.09 0.00 0.00 178.44 179.47 1f50 h ALA 14 N 1.11 -0.20 -0.91 1.53 0.00 0.41 0.12 119.26 121.32 1f50 h ALA 14 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1f50 h ALA 14 Cb 0.87 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1f50 h ALA 14 CO 0.07 -0.50 0.57 1.25 0.00 0.00 0.00 179.25 180.64 1f50 h LEU 15 N -0.42 1.08 -0.62 0.00 6.46 -0.45 0.30 115.31 121.65 1f50 h LEU 15 Ca -0.02 -0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.58 1f50 h LEU 15 Cb 0.33 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1f50 h LEU 15 CO 0.03 0.81 -0.09 1.23 -0.62 0.00 0.00 178.44 179.80 1f50 h GLY 16 N 1.25 1.07 0.98 3.75 0.00 -0.78 0.33 103.07 109.67 1f50 h GLY 16 Ca 0.33 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1f50 h GLY 16 CO -0.07 0.77 0.01 -0.84 0.00 0.00 0.00 176.54 176.42 1f50 h THR 17 N 0.89 1.02 -0.46 4.70 2.02 -0.42 0.21 112.91 120.87 1f50 h THR 17 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1f50 h THR 17 Cb 0.64 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1f50 h THR 17 CO 0.04 0.02 0.24 0.00 0.37 0.00 0.00 175.52 176.19 1f50 h ALA 18 N 0.98 0.59 0.00 6.16 0.00 -0.61 0.97 119.26 127.36 1f50 h ALA 18 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1f50 h ALA 18 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1f50 h ALA 18 CO -0.00 0.13 -0.60 -0.07 0.00 0.00 0.00 179.25 178.71 1f50 h LEU 19 N 0.60 0.00 -0.47 0.00 3.38 -0.18 -0.44 115.31 118.20 1f50 h LEU 19 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1f50 h LEU 19 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1f50 h LEU 19 CO -0.02 0.60 -0.75 0.24 0.09 0.00 0.00 178.44 178.59 1f50 h MET 20 N 0.00 0.15 -0.11 1.13 2.86 -0.16 -0.22 114.93 118.58 1f50 h MET 20 Ca -0.01 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1f50 h MET 20 Cb 1.10 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1f50 h MET 20 CO 0.08 0.83 0.04 0.78 1.06 0.00 0.00 176.91 179.70 1f50 h GLY 21 N 1.85 0.18 1.02 8.32 0.00 -0.34 0.11 103.07 114.20 1f50 h GLY 21 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1f50 h GLY 21 CO 0.11 0.09 0.29 1.41 0.00 0.00 0.00 176.54 178.44 1f50 h LEU 22 N 0.00 0.96 -0.86 3.11 4.07 -1.11 0.62 115.31 122.10 1f50 h LEU 22 Ca 0.04 -0.17 -0.11 0.00 0.08 0.00 0.00 57.88 57.72 1f50 h LEU 22 Cb 0.19 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1f50 h LEU 22 CO -0.00 0.86 -0.32 1.23 -1.08 0.00 0.00 178.44 179.13 1f50 h GLY 23 N 0.99 0.51 0.94 0.83 0.00 -0.90 0.19 103.07 105.63 1f50 h GLY 23 Ca 0.23 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1f50 h GLY 23 CO -0.02 0.41 0.15 -0.84 0.00 0.00 0.00 176.54 176.24 1f50 h THR 24 N 0.40 1.15 -0.30 4.70 2.02 0.50 0.12 112.91 121.51 1f50 h THR 24 Ca 0.05 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 1f50 h THR 24 Cb 0.76 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1f50 h THR 24 CO 0.06 0.15 -0.37 -0.07 0.37 0.00 0.00 175.52 175.66 1f50 h LEU 25 N 0.37 0.73 -0.08 2.58 3.38 0.44 0.27 115.31 123.01 1f50 h LEU 25 Ca 0.11 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1f50 h LEU 25 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1f50 h LEU 25 CO -0.01 1.03 -0.07 0.22 0.09 0.00 0.00 178.44 179.69 1f50 h TYR 26 N 0.58 -0.18 -0.08 1.13 3.20 -0.28 0.28 116.97 121.62 1f50 h TYR 26 Ca 0.05 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 1f50 h TYR 26 Cb 0.90 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1f50 h TYR 26 CO 0.04 -0.12 -0.46 0.74 -1.64 0.00 0.00 178.16 176.72 1f50 h PHE 27 N -0.09 0.23 -0.00 -3.82 0.04 -0.48 0.35 116.94 113.15 1f50 h PHE 27 Ca 0.06 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1f50 h PHE 27 Cb 0.17 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1f50 h PHE 27 CO -0.18 0.62 0.00 -0.07 -0.60 0.00 0.00 178.31 178.08 1f50 h LEU 28 N 0.15 0.00 -0.15 1.54 3.38 0.08 0.11 115.31 120.43 1f50 h LEU 28 Ca 0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1f50 h LEU 28 Cb 0.88 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1f50 h LEU 28 CO 0.07 0.10 -0.13 0.58 0.09 0.00 0.00 178.44 179.14 1f50 h VAL 29 N -0.09 1.34 -1.01 1.22 2.07 -0.08 -2.57 116.25 117.14 1f50 h VAL 29 Ca 0.00 -1.27 0.30 0.00 0.82 0.00 0.00 66.70 66.55 1f50 h VAL 29 Cb 0.09 1.85 -0.14 0.00 -1.52 0.00 0.00 31.29 31.57 1f50 h VAL 29 CO -0.00 0.37 0.58 0.50 0.02 0.00 0.00 177.57 179.05 1f50 h LYS 30 N -0.01 0.38 0.00 1.57 3.64 -0.27 1.30 116.57 123.18 1f50 h LYS 30 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f50 h LYS 30 Cb 0.65 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1f50 h LYS 30 CO 0.03 0.25 0.00 0.41 -2.27 0.00 0.00 179.45 177.87 1f50 n GLY 31 N -1.30 -0.99 3.71 5.01 0.00 0.37 -4.69 105.19 107.30 1f50 n GLY 31 Ca 0.31 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1f50 n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f50 s MET 32 N -2.12 4.45 0.00 1.61 -1.94 0.45 -2.85 119.30 118.90 1f50 s MET 32 Ca 0.41 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 56.12 1f50 s MET 32 Cb 0.20 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.68 1f50 s MET 32 CO 0.36 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 1f50 n GLY 33 N 3.16 0.91 3.78 -0.03 0.00 -1.26 -5.05 105.19 106.70 1f50 n GLY 33 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1f50 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f50 s VAL 34 N -2.02 5.34 0.00 1.61 1.01 -1.13 -4.96 120.40 120.25 1f50 s VAL 34 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1f50 s VAL 34 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1f50 s VAL 34 CO 0.00 0.48 0.00 -1.54 0.00 0.00 0.00 175.10 174.04 1f50 n SER 35 N 2.96 4.46 -4.62 3.32 3.41 -1.26 -4.95 113.62 116.95 1f50 n SER 35 Ca -0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 1f50 n SER 35 Cb 0.53 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1f50 n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1f50 s ASP 36 N -2.08 6.04 0.29 4.04 2.15 -1.26 -4.85 116.67 121.01 1f50 s ASP 36 Ca 0.00 1.74 0.01 0.00 0.43 0.00 0.00 52.55 54.73 1f50 s ASP 36 Cb 0.00 -2.53 0.71 0.00 -0.30 0.00 0.00 42.92 40.80 1f50 s ASP 36 CO 0.00 -1.51 1.47 -2.65 -0.17 0.00 0.00 175.17 172.31 1f50 n PRO 37 N 8.10 -0.08 -0.16 4.34 -0.01 -1.26 -0.36 135.00 145.58 1f50 n PRO 37 Ca 0.23 1.41 -0.09 0.00 -0.01 0.00 0.00 63.50 65.04 1f50 n PRO 37 Cb 0.45 -2.23 0.00 0.00 -0.01 0.00 0.00 33.50 31.71 1f50 n PRO 37 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 1f50 h ASP 38 N 0.00 0.67 -0.80 2.55 5.19 -1.89 -0.19 116.42 121.96 1f50 h ASP 38 Ca 0.57 -0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.73 1f50 h ASP 38 Cb 1.16 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.46 1f50 h ASP 38 CO -0.89 0.69 0.32 0.00 -3.12 0.00 0.00 179.24 176.25 1f50 h ALA 39 N 1.00 1.04 -0.78 3.45 0.00 -0.37 -2.13 119.26 121.47 1f50 h ALA 39 Ca 0.15 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1f50 h ALA 39 Cb 0.26 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1f50 h ALA 39 CO -0.01 0.66 0.42 0.87 0.00 0.00 0.00 179.25 181.19 1f50 h LYS 40 N 1.16 0.66 0.06 0.00 1.57 -0.28 0.35 116.57 120.09 1f50 h LYS 40 Ca 0.27 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1f50 h LYS 40 Cb 0.22 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1f50 h LYS 40 CO -0.02 0.44 -0.12 0.87 -0.57 0.00 0.00 179.45 180.05 1f50 h LYS 41 N 0.68 -0.22 -0.13 3.15 1.57 -0.40 0.17 116.57 121.39 1f50 h LYS 41 Ca 0.39 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 59.04 1f50 h LYS 41 Cb 0.42 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1f50 h LYS 41 CO -0.28 -0.15 -0.55 0.74 -0.57 0.00 0.00 179.45 178.64 1f50 h PHE 42 N -0.23 0.50 -0.36 -1.35 0.04 -0.84 -0.49 116.94 114.21 1f50 h PHE 42 Ca 0.02 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 1f50 h PHE 42 Cb 0.25 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1f50 h PHE 42 CO -0.15 0.86 0.19 1.88 -0.60 0.00 0.00 178.31 180.49 1f50 h TYR 43 N 0.30 0.50 -0.14 -0.55 0.05 -0.24 0.19 116.97 117.09 1f50 h TYR 43 Ca 0.00 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1f50 h TYR 43 Cb 1.06 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 1f50 h TYR 43 CO 0.03 0.41 -0.01 0.00 -1.05 0.00 0.00 178.16 177.54 1f50 h ALA 44 N 1.05 0.12 -0.38 3.88 0.00 -0.46 0.23 119.26 123.70 1f50 h ALA 44 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1f50 h ALA 44 Cb 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1f50 h ALA 44 CO -0.02 -0.46 0.13 0.82 0.00 0.00 0.00 179.25 179.72 1f50 h ILE 45 N 0.04 1.21 0.00 0.00 2.04 -0.90 -1.39 117.51 118.50 1f50 h ILE 45 Ca 0.07 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1f50 h ILE 45 Cb 0.09 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1f50 h ILE 45 CO -0.12 0.23 -0.04 0.74 0.00 0.00 0.00 178.15 178.97 1f50 h THR 46 N 0.46 0.07 0.08 -0.27 2.02 -0.35 -1.99 112.91 112.94 1f50 h THR 46 Ca 0.12 -0.92 -0.31 0.00 0.77 0.00 0.00 66.41 66.07 1f50 h THR 46 Cb 0.24 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1f50 h THR 46 CO -0.01 0.03 -1.69 0.74 0.37 0.00 0.00 175.52 174.97 1f50 h THR 47 N 0.00 0.94 -0.48 3.16 2.02 -0.83 -3.35 112.91 114.37 1f50 h THR 47 Ca -0.00 -2.67 -0.06 0.00 0.77 0.00 0.00 66.41 64.46 1f50 h THR 47 Cb 0.86 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1f50 h THR 47 CO 0.00 0.75 0.06 -0.07 0.37 0.00 0.00 175.52 176.64 1f50 h LEU 48 N 0.05 0.70 0.77 2.58 3.38 -0.88 -1.87 115.31 120.04 1f50 h LEU 48 Ca -0.30 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1f50 h LEU 48 Cb 2.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1f50 h LEU 48 CO 0.12 0.73 -0.43 0.58 0.09 0.00 0.00 178.44 179.53 1f50 h VAL 49 N 0.71 0.13 0.00 1.22 2.07 -1.50 0.18 116.25 119.06 1f50 h VAL 49 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1f50 h VAL 49 Cb 0.35 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1f50 h VAL 49 CO 0.01 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.15 1f50 h PRO 50 N -1.11 0.00 -0.30 1.57 0.13 -1.73 -0.48 132.00 130.08 1f50 h PRO 50 Ca -0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1f50 h PRO 50 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1f50 h PRO 50 CO 0.13 0.00 0.03 0.00 -0.23 0.00 0.00 178.00 177.93 1f50 h ALA 51 N 2.19 0.40 -0.30 -0.56 0.00 -0.51 0.59 119.26 121.07 1f50 h ALA 51 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1f50 h ALA 51 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1f50 h ALA 51 CO 0.00 0.11 0.07 0.82 0.00 0.00 0.00 179.25 180.25 1f50 h ILE 52 N 0.32 1.22 -0.60 0.00 2.04 -0.41 -2.11 117.51 117.97 1f50 h ILE 52 Ca 0.09 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1f50 h ILE 52 Cb 0.38 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1f50 h ILE 52 CO 0.01 0.24 0.33 0.00 0.00 0.00 0.00 178.15 178.73 1f50 h ALA 53 N 0.90 1.46 -0.17 1.87 0.00 -0.97 -0.49 119.26 121.86 1f50 h ALA 53 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1f50 h ALA 53 Cb 0.30 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1f50 h ALA 53 CO 0.00 0.45 -0.12 0.35 0.00 0.00 0.00 179.25 179.93 1f50 h PHE 54 N 0.82 -0.31 -0.56 0.00 3.57 0.46 0.35 116.94 121.28 1f50 h PHE 54 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1f50 h PHE 54 Cb 0.01 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1f50 h PHE 54 CO 0.00 -0.19 0.27 1.79 -2.23 0.00 0.00 178.31 177.95 1f50 h THR 55 N -0.13 1.19 0.12 4.41 1.35 -0.67 0.63 112.91 119.81 1f50 h THR 55 Ca 0.10 -0.53 -0.27 0.00 -0.55 0.00 0.00 66.41 65.16 1f50 h THR 55 Cb 0.28 0.48 0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1f50 h THR 55 CO -0.25 0.22 -1.22 0.24 -0.25 0.00 0.00 175.52 174.26 1f50 h MET 56 N 0.79 0.31 -0.52 4.72 2.86 -0.60 0.08 114.93 122.58 1f50 h MET 56 Ca 0.20 -0.50 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1f50 h MET 56 Cb 0.09 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1f50 h MET 56 CO -0.03 1.22 0.33 1.88 1.06 0.00 0.00 176.91 181.38 1f50 h TYR 57 N 0.10 0.62 -0.77 -0.22 -1.99 -0.20 0.11 116.97 114.61 1f50 h TYR 57 Ca -0.14 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 1f50 h TYR 57 Cb 1.93 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 40.42 1f50 h TYR 57 CO 0.07 0.37 0.32 1.25 -0.00 0.00 0.00 178.16 180.18 1f50 h LEU 58 N 0.66 1.05 -1.26 3.88 5.85 -0.76 0.48 115.31 125.21 1f50 h LEU 58 Ca 0.20 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1f50 h LEU 58 Cb -0.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1f50 h LEU 58 CO -0.07 0.92 -0.03 0.77 -0.34 0.00 0.00 178.44 179.69 1f50 h SER 59 N 1.12 0.43 -0.25 1.25 4.64 -0.35 0.21 113.55 120.59 1f50 h SER 59 Ca 0.26 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1f50 h SER 59 Cb 0.19 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1f50 h SER 59 CO -0.02 0.52 -0.39 0.24 -0.87 0.00 0.00 176.83 176.31 1f50 h MET 60 N 0.44 0.71 -0.47 4.77 2.86 0.02 0.25 114.93 123.52 1f50 h MET 60 Ca 0.09 -0.43 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1f50 h MET 60 Cb 0.34 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1f50 h MET 60 CO 0.01 1.05 0.20 1.25 1.06 0.00 0.00 176.91 180.48 1f50 h LEU 61 N 0.44 0.26 -0.00 1.22 5.85 0.69 -1.61 115.31 122.16 1f50 h LEU 61 Ca 0.02 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1f50 h LEU 61 Cb 0.98 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1f50 h LEU 61 CO 0.09 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.55 1f50 n LEU 62 N -4.95 0.00 0.00 2.25 4.77 0.65 -4.88 117.00 114.84 1f50 n LEU 62 Ca 0.04 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1f50 n LEU 62 Cb 0.15 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1f50 n LEU 62 CO 0.27 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1f50 n GLY 63 N 1.29 0.42 0.20 -0.72 0.00 -0.56 -4.94 105.19 100.89 1f50 n GLY 63 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1f50 n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1f50 h TYR 64 N 0.00 0.83 -0.52 1.61 3.20 -0.80 -3.18 116.97 118.10 1f50 h TYR 64 Ca 0.00 -0.27 -0.29 0.00 3.14 0.00 0.00 58.73 61.31 1f50 h TYR 64 Cb 0.00 -0.16 -0.16 0.00 1.54 0.00 0.00 36.73 37.95 1f50 h TYR 64 CO 0.00 1.02 0.37 0.41 -1.64 0.00 0.00 178.16 178.33 1f50 n GLY 65 N 0.27 3.56 3.33 1.82 0.00 -0.33 -4.83 105.19 109.01 1f50 n GLY 65 Ca -0.05 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1f50 n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f50 s LEU 66 N -1.79 2.40 0.23 0.99 2.96 -1.20 -1.55 118.68 120.71 1f50 s LEU 66 Ca 0.31 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1f50 s LEU 66 Cb 0.25 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 1f50 s LEU 66 CO 0.04 0.23 0.06 0.28 -1.32 0.00 0.00 176.35 175.64 1f50 s THR 67 N -0.05 0.66 -0.17 3.68 -1.32 0.68 -4.91 115.64 114.19 1f50 s THR 67 Ca -0.05 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.39 1f50 s THR 67 Cb -0.14 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1f50 s THR 67 CO 0.04 -0.18 -0.01 -0.04 -2.21 0.00 0.00 174.62 172.23 1f50 s MET 68 N -3.98 3.72 -0.18 7.08 1.00 -1.26 0.23 119.30 125.91 1f50 s MET 68 Ca 0.33 -0.48 -0.00 0.00 0.00 0.00 0.00 55.69 55.53 1f50 s MET 68 Cb 0.07 -3.02 0.01 0.00 0.00 0.00 0.00 34.83 31.89 1f50 s MET 68 CO 0.10 0.19 -0.15 0.08 0.00 0.00 0.00 175.02 175.24 1f50 s VAL 69 N 0.53 2.52 -0.04 -6.03 1.01 0.54 -4.85 120.40 114.08 1f50 s VAL 69 Ca -0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1f50 s VAL 69 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1f50 s VAL 69 CO 0.02 0.50 1.35 -2.16 0.00 0.00 0.00 175.10 174.81 1f50 s PRO 70 N 1.23 4.29 -0.10 2.72 0.04 -1.24 -1.15 135.00 140.79 1f50 s PRO 70 Ca 0.03 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1f50 s PRO 70 Cb -0.14 -3.62 0.12 0.00 0.04 0.00 0.00 34.50 30.89 1f50 s PRO 70 CO -0.07 -0.58 0.95 -0.59 0.04 0.00 0.00 177.00 176.75 1f50 s PHE 71 N 2.61 -0.36 -1.47 0.56 -0.12 0.64 -4.42 117.98 115.42 1f50 s PHE 71 Ca 0.61 0.46 0.00 0.00 -0.05 0.00 0.00 56.93 57.96 1f50 s PHE 71 Cb -0.28 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1f50 s PHE 71 CO 0.24 -0.43 0.00 0.41 -0.05 0.00 0.00 175.22 175.39 1f50 n GLY 72 N 0.32 0.63 2.52 1.99 0.00 -1.26 -0.52 105.19 108.88 1f50 n GLY 72 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1f50 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f50 n GLY 73 N -0.53 1.84 3.85 -0.02 0.00 -1.26 -4.99 105.19 104.08 1f50 n GLY 73 Ca -0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1f50 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f50 s GLU 74 N 0.00 2.76 -0.82 1.61 0.41 0.32 -4.95 118.70 118.04 1f50 s GLU 74 Ca 0.00 0.62 -0.21 0.00 -0.41 0.00 0.00 54.97 54.97 1f50 s GLU 74 Cb 0.00 -2.00 0.10 0.00 -1.78 0.00 0.00 34.13 30.45 1f50 s GLU 74 CO 0.00 -1.14 1.08 -0.65 -0.49 0.00 0.00 175.26 174.06 1f50 s GLN 75 N -5.24 3.39 -0.31 1.61 -1.52 -1.26 -0.26 119.66 116.07 1f50 s GLN 75 Ca 0.58 -1.33 -0.20 0.00 -1.95 0.00 0.00 55.36 52.47 1f50 s GLN 75 Cb -0.12 -4.66 -0.01 0.00 -0.22 0.00 0.00 33.01 28.00 1f50 s GLN 75 CO 0.53 -1.82 0.62 -0.80 -0.25 0.00 0.00 175.29 173.57 1f50 s ASN 76 N 3.75 6.47 0.12 5.90 0.01 -0.30 -4.82 114.94 126.08 1f50 s ASN 76 Ca 0.29 0.36 -0.31 0.00 -0.71 0.00 0.00 52.86 52.49 1f50 s ASN 76 Cb -0.10 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.14 1f50 s ASN 76 CO -0.01 -0.49 1.74 -2.16 -1.51 0.00 0.00 177.10 174.67 1f50 s PRO 77 N 2.60 4.16 -0.15 -0.60 0.04 -1.26 -0.34 135.00 139.44 1f50 s PRO 77 Ca 0.24 2.50 -0.00 0.00 0.04 0.00 0.00 61.00 63.78 1f50 s PRO 77 Cb -0.15 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 30.95 1f50 s PRO 77 CO 0.12 -0.78 -0.06 0.42 0.04 0.00 0.00 177.00 176.75 1f50 s ILE 78 N 2.33 1.08 -0.87 0.56 -1.09 0.13 -4.87 121.20 118.48 1f50 s ILE 78 Ca 0.77 -0.53 -0.25 0.00 -2.23 0.00 0.00 60.65 58.42 1f50 s ILE 78 Cb -0.45 -1.21 0.01 0.00 -1.58 0.00 0.00 42.46 39.23 1f50 s ILE 78 CO 0.34 0.20 1.63 -0.31 -1.23 0.00 0.00 174.94 175.57 1f50 s TYR 79 N 1.66 2.14 0.08 3.97 2.02 -1.26 -0.23 117.35 125.72 1f50 s TYR 79 Ca 0.02 -0.01 0.32 0.00 -0.37 0.00 0.00 57.07 57.02 1f50 s TYR 79 Cb -0.14 -4.40 1.24 0.00 -0.40 0.00 0.00 41.96 38.26 1f50 s TYR 79 CO -0.08 -1.96 1.94 0.11 -1.57 0.00 0.00 175.55 173.99 1f50 h TRP 80 N 11.06 0.00 0.00 2.71 5.08 -1.63 -3.14 115.95 130.04 1f50 h TRP 80 Ca 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.97 1f50 h TRP 80 Cb 1.04 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.20 1f50 h TRP 80 CO 1.20 0.04 -0.07 0.00 -1.28 0.00 0.00 178.44 178.32 1f50 h ALA 81 N 1.96 1.12 0.00 0.11 0.00 -1.63 -0.30 119.26 120.53 1f50 h ALA 81 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1f50 h ALA 81 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1f50 h ALA 81 CO 0.00 0.09 -0.04 0.07 0.00 0.00 0.00 179.25 179.37 1f50 h ARG 82 N 0.00 0.00 -0.02 0.00 0.11 -1.82 -1.81 114.38 110.84 1f50 h ARG 82 Ca -0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 1f50 h ARG 82 Cb 0.35 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.41 1f50 h ARG 82 CO 0.01 0.04 -0.69 1.88 0.10 0.00 0.00 179.97 181.31 1f50 h TYR 83 N 0.00 0.17 -0.58 4.08 0.05 -1.27 0.06 116.97 119.47 1f50 h TYR 83 Ca -0.00 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1f50 h TYR 83 Cb 0.58 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1f50 h TYR 83 CO 0.00 0.77 0.12 0.00 -1.05 0.00 0.00 178.16 178.00 1f50 h ALA 84 N 1.21 1.11 0.39 3.88 0.00 -1.35 0.27 119.26 124.77 1f50 h ALA 84 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1f50 h ALA 84 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1f50 h ALA 84 CO 0.10 0.59 -0.31 0.22 0.00 0.00 0.00 179.25 179.85 1f50 h ASP 85 N 0.87 -0.83 -0.20 0.00 1.82 -1.15 -3.19 116.42 113.75 1f50 h ASP 85 Ca 0.18 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1f50 h ASP 85 Cb 0.35 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1f50 h ASP 85 CO 0.00 -0.44 0.10 -0.50 -1.61 0.00 0.00 179.24 176.79 1f50 h TRP 86 N -0.68 0.33 -0.82 0.28 6.55 -0.74 0.16 115.95 121.03 1f50 h TRP 86 Ca -0.05 -0.00 0.14 0.00 0.95 0.00 0.00 58.89 59.93 1f50 h TRP 86 Cb 0.57 -0.11 -0.06 0.00 -0.86 0.00 0.00 29.16 28.71 1f50 h TRP 86 CO -0.11 0.27 0.54 1.25 -1.05 0.00 0.00 178.44 179.33 1f50 h LEU 87 N 0.34 0.52 0.01 -4.49 5.85 -0.46 0.19 115.31 117.27 1f50 h LEU 87 Ca 0.09 0.03 -0.38 0.00 0.84 0.00 0.00 57.88 58.46 1f50 h LEU 87 Cb 0.07 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1f50 h LEU 87 CO -0.01 0.27 -2.37 0.49 -0.34 0.00 0.00 178.44 176.47 1f50 n PHE 88 N -4.51 0.14 0.06 1.25 3.72 -0.53 -4.44 117.46 113.15 1f50 n PHE 88 Ca 0.16 0.04 -0.14 0.00 -0.05 0.00 0.00 57.45 57.46 1f50 n PHE 88 Cb 0.50 -1.02 -0.14 0.00 -0.94 0.00 0.00 39.48 37.88 1f50 n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1f50 h THR 89 N 0.01 1.29 -0.34 4.37 1.35 -0.52 -2.75 112.91 116.31 1f50 h THR 89 Ca -0.54 -2.96 -0.14 0.00 -0.55 0.00 0.00 66.41 62.22 1f50 h THR 89 Cb 2.05 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 71.22 1f50 h THR 89 CO -0.02 0.82 -0.34 0.71 -0.25 0.00 0.00 175.52 176.45 1f50 h THR 90 N 0.05 1.28 -0.18 6.82 1.35 -0.83 -0.39 112.91 121.01 1f50 h THR 90 Ca -0.18 -1.49 -0.08 0.00 -0.55 0.00 0.00 66.41 64.11 1f50 h THR 90 Cb 1.96 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 1f50 h THR 90 CO 0.15 0.49 -0.23 1.55 -0.25 0.00 0.00 175.52 177.23 1f50 h PRO 91 N 0.63 0.32 -0.86 4.72 0.13 -1.72 -0.83 132.00 134.39 1f50 h PRO 91 Ca 0.07 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1f50 h PRO 91 Cb 0.87 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 1f50 h PRO 91 CO 0.08 0.54 0.44 -0.07 -0.23 0.00 0.00 178.00 178.76 1f50 h LEU 92 N 0.29 1.10 -0.40 1.56 3.38 -1.22 0.73 115.31 120.75 1f50 h LEU 92 Ca 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1f50 h LEU 92 Cb 0.57 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1f50 h LEU 92 CO 0.04 0.91 0.11 -0.07 0.09 0.00 0.00 178.44 179.52 1f50 h LEU 93 N 1.21 0.59 -1.43 1.67 3.38 -0.56 0.69 115.31 120.87 1f50 h LEU 93 Ca 0.30 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1f50 h LEU 93 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1f50 h LEU 93 CO -0.04 0.65 -0.10 -0.07 0.09 0.00 0.00 178.44 178.97 1f50 h LEU 94 N 0.50 0.24 -0.68 1.67 3.38 -0.71 -1.31 115.31 118.40 1f50 h LEU 94 Ca 0.13 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1f50 h LEU 94 Cb 0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1f50 h LEU 94 CO -0.00 0.37 0.06 0.25 0.09 0.00 0.00 178.44 179.21 1f50 h LEU 95 N 0.24 1.05 -0.46 1.67 6.46 0.13 0.43 115.31 124.83 1f50 h LEU 95 Ca 0.05 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.60 1f50 h LEU 95 Cb 0.34 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 1f50 h LEU 95 CO 0.02 1.06 0.16 0.44 -0.62 0.00 0.00 178.44 179.50 1f50 h ASP 96 N 1.01 0.16 -0.06 1.25 3.32 0.20 0.18 116.42 122.47 1f50 h ASP 96 Ca 0.19 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1f50 h ASP 96 Cb 0.49 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1f50 h ASP 96 CO 0.02 0.12 0.02 -0.07 -1.72 0.00 0.00 179.24 177.61 1f50 h LEU 97 N 0.33 0.09 -0.56 1.55 3.38 -0.77 -2.17 115.31 117.17 1f50 h LEU 97 Ca 0.22 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1f50 h LEU 97 Cb 0.22 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1f50 h LEU 97 CO -0.22 0.26 0.32 0.00 0.09 0.00 0.00 178.44 178.89 1f50 h ALA 98 N 0.83 0.72 -0.46 1.53 0.00 0.24 -2.63 119.26 119.49 1f50 h ALA 98 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1f50 h ALA 98 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1f50 h ALA 98 CO -0.00 0.01 -0.07 -0.07 0.00 0.00 0.00 179.25 179.12 1f50 h LEU 99 N 0.62 0.87 -0.72 0.00 3.38 -0.64 0.45 115.31 119.27 1f50 h LEU 99 Ca 0.23 -0.34 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1f50 h LEU 99 Cb 0.08 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 40.46 1f50 h LEU 99 CO -0.13 1.00 -0.32 0.25 0.09 0.00 0.00 178.44 179.34 1f50 h LEU 100 N 0.71 -1.15 -2.26 1.67 5.85 -1.14 -0.01 115.31 118.98 1f50 h LEU 100 Ca 0.12 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1f50 h LEU 100 Cb 0.60 0.60 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1f50 h LEU 100 CO 0.04 -0.29 0.00 1.33 -0.34 0.00 0.00 178.44 179.17 1f50 n VAL 101 N -5.46 1.14 -3.74 1.05 0.24 -1.01 -4.92 118.33 105.64 1f50 n VAL 101 Ca 0.07 -0.81 -0.29 0.00 -2.04 0.00 0.00 64.34 61.27 1f50 n VAL 101 Cb 0.37 0.12 0.03 0.00 -1.47 0.00 0.00 33.84 32.89 1f50 n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1f50 n ASP 102 N 0.86 -3.68 -4.72 -1.34 2.03 -0.02 -4.89 116.55 104.79 1f50 n ASP 102 Ca 0.19 -0.99 -0.33 0.00 0.52 0.00 0.00 54.79 54.18 1f50 n ASP 102 Cb 0.61 -3.42 0.10 0.00 -0.72 0.00 0.00 41.12 37.70 1f50 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f50 s ALA 103 N -3.60 2.03 0.65 -1.67 0.00 0.15 -4.96 121.76 114.35 1f50 s ALA 103 Ca 0.31 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 1f50 s ALA 103 Cb -0.11 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1f50 s ALA 103 CO 0.86 -2.00 1.24 -0.51 0.00 0.00 0.00 175.76 175.35 1f50 s ASP 104 N -2.33 4.69 0.27 0.00 1.01 -1.26 -4.83 116.67 114.21 1f50 s ASP 104 Ca 0.71 2.48 -0.05 0.00 0.71 0.00 0.00 52.55 56.40 1f50 s ASP 104 Cb -0.26 -2.60 0.33 0.00 1.01 0.00 0.00 42.92 41.39 1f50 s ASP 104 CO 0.48 -1.94 1.94 1.56 0.21 0.00 0.00 175.17 177.43 1f50 h GLN 105 N 0.43 1.23 -0.72 8.23 4.20 -1.99 -1.04 115.11 125.45 1f50 h GLN 105 Ca -0.50 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.19 1f50 h GLN 105 Cb 1.31 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.76 1f50 h GLN 105 CO 0.53 0.82 0.43 0.78 -0.67 0.00 0.00 178.83 180.72 1f50 h GLY 106 N 1.27 1.06 1.05 3.46 0.00 -1.99 0.35 103.07 108.27 1f50 h GLY 106 Ca 0.34 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1f50 h GLY 106 CO -0.07 0.21 -0.31 -0.84 0.00 0.00 0.00 176.54 175.52 1f50 h THR 107 N 0.79 1.28 -0.74 4.70 2.02 -1.73 0.13 112.91 119.37 1f50 h THR 107 Ca 0.31 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1f50 h THR 107 Cb 0.15 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1f50 h THR 107 CO -0.16 0.49 0.44 0.40 0.37 0.00 0.00 175.52 177.05 1f50 h ILE 108 N 0.63 1.22 -0.45 3.11 2.04 -0.80 0.15 117.51 123.41 1f50 h ILE 108 Ca 0.06 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1f50 h ILE 108 Cb 0.89 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1f50 h ILE 108 CO 0.08 0.23 0.18 0.25 0.00 0.00 0.00 178.15 178.88 1f50 h LEU 109 N 1.02 0.62 -0.51 1.44 5.85 -0.71 0.14 115.31 123.16 1f50 h LEU 109 Ca 0.27 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1f50 h LEU 109 Cb -0.01 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1f50 h LEU 109 CO -0.05 0.62 0.14 0.00 -0.34 0.00 0.00 178.44 178.82 1f50 h ALA 110 N 1.02 0.61 -0.01 1.25 0.00 -0.32 0.17 119.26 121.99 1f50 h ALA 110 Ca 0.15 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1f50 h ALA 110 Cb 0.20 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1f50 h ALA 110 CO -0.01 -0.26 0.00 -0.07 0.00 0.00 0.00 179.25 178.91 1f50 h LEU 111 N 0.30 0.01 -0.41 0.00 3.38 -0.57 0.95 115.31 118.97 1f50 h LEU 111 Ca 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1f50 h LEU 111 Cb 0.32 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1f50 h LEU 111 CO -0.30 0.25 0.16 0.58 0.09 0.00 0.00 178.44 179.23 1f50 h VAL 112 N -0.23 1.20 0.00 1.22 2.07 -0.55 0.43 116.25 120.38 1f50 h VAL 112 Ca 0.00 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1f50 h VAL 112 Cb 0.25 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1f50 h VAL 112 CO 0.00 0.22 -0.00 1.23 0.02 0.00 0.00 177.57 179.04 1f50 h GLY 113 N 0.52 -0.00 1.31 2.17 0.00 -0.70 0.47 103.07 106.84 1f50 h GLY 113 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1f50 h GLY 113 CO -0.01 -0.00 0.42 0.00 0.00 0.00 0.00 176.54 176.95 1f50 h ALA 114 N 0.94 1.62 -0.41 3.60 0.00 -0.59 -0.50 119.26 123.92 1f50 h ALA 114 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1f50 h ALA 114 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1f50 h ALA 114 CO 0.00 0.33 0.06 0.22 0.00 0.00 0.00 179.25 179.86 1f50 h ASP 115 N 0.79 0.65 -0.44 0.00 1.82 0.54 0.54 116.42 120.33 1f50 h ASP 115 Ca 0.24 -0.27 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1f50 h ASP 115 Cb 0.01 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 1f50 h ASP 115 CO -0.06 0.75 0.16 1.23 -1.61 0.00 0.00 179.24 179.71 1f50 h GLY 116 N 0.53 0.77 1.40 -0.78 0.00 0.60 0.11 103.07 105.71 1f50 h GLY 116 Ca 0.12 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1f50 h GLY 116 CO 0.01 0.38 -0.32 -2.22 0.00 0.00 0.00 176.54 174.39 1f50 h ILE 117 N 0.71 1.28 0.01 2.60 2.04 -0.64 0.31 117.51 123.82 1f50 h ILE 117 Ca 0.17 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1f50 h ILE 117 Cb 0.20 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1f50 h ILE 117 CO -0.01 0.47 -0.01 -0.03 0.00 0.00 0.00 178.15 178.57 1f50 h MET 118 N 0.57 -0.02 -0.17 2.37 4.05 0.40 0.47 114.93 122.61 1f50 h MET 118 Ca 0.06 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 1f50 h MET 118 Cb 0.82 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1f50 h MET 118 CO 0.07 0.11 -0.20 0.82 0.23 0.00 0.00 176.91 177.95 1f50 h ILE 119 N -0.14 1.34 -0.78 1.77 1.08 -0.78 -0.21 117.51 119.79 1f50 h ILE 119 Ca -0.00 -1.38 0.01 0.00 -0.39 0.00 0.00 64.86 63.10 1f50 h ILE 119 Cb 0.14 1.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 1f50 h ILE 119 CO 0.00 0.41 0.51 1.23 -0.69 0.00 0.00 178.15 179.62 1f50 h GLY 120 N 0.08 1.10 1.55 5.37 0.00 -0.36 0.12 103.07 110.93 1f50 h GLY 120 Ca 0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1f50 h GLY 120 CO 0.05 0.39 -0.44 -0.91 0.00 0.00 0.00 176.54 175.62 1f50 h THR 121 N 1.04 1.31 -0.73 4.70 1.35 -0.91 0.03 112.91 119.70 1f50 h THR 121 Ca 0.29 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1f50 h THR 121 Cb -0.10 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 67.93 1f50 h THR 121 CO -0.07 0.51 0.47 1.23 -0.25 0.00 0.00 175.52 177.40 1f50 h GLY 122 N 1.11 1.04 0.98 5.82 0.00 -0.41 0.41 103.07 112.02 1f50 h GLY 122 Ca 0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1f50 h GLY 122 CO 0.08 0.39 -0.38 -2.00 0.00 0.00 0.00 176.54 174.64 1f50 h LEU 123 N 1.00 0.76 -0.41 3.11 5.85 -0.53 0.22 115.31 125.31 1f50 h LEU 123 Ca 0.27 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1f50 h LEU 123 Cb -0.09 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1f50 h LEU 123 CO -0.05 1.13 0.27 0.58 -0.34 0.00 0.00 178.44 180.02 1f50 h VAL 124 N 0.41 1.11 -0.90 1.05 2.07 -0.65 -0.94 116.25 118.39 1f50 h VAL 124 Ca 0.02 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1f50 h VAL 124 Cb 0.97 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1f50 h VAL 124 CO 0.09 0.10 0.58 1.23 0.02 0.00 0.00 177.57 179.59 1f50 h GLY 125 N 0.55 1.29 1.70 2.17 0.00 -0.02 -0.57 103.07 108.20 1f50 h GLY 125 Ca 0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1f50 h GLY 125 CO -0.03 0.49 0.13 0.00 0.00 0.00 0.00 176.54 177.13 1f50 h ALA 126 N 1.32 1.70 -0.24 3.60 0.00 0.13 -2.62 119.26 123.15 1f50 h ALA 126 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1f50 h ALA 126 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1f50 h ALA 126 CO -0.07 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1f50 n LEU 127 N -4.44 3.23 -4.72 0.00 4.77 -0.42 -4.95 117.00 110.48 1f50 n LEU 127 Ca 0.01 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.27 1f50 n LEU 127 Cb 0.11 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1f50 n LEU 127 CO 0.36 0.64 0.75 -0.89 -1.33 0.00 0.00 177.39 176.92 1f50 s THR 128 N -1.65 4.47 -0.90 -5.08 2.01 -0.27 -4.94 115.64 109.28 1f50 s THR 128 Ca 0.33 1.83 0.23 0.00 0.31 0.00 0.00 61.69 64.40 1f50 s THR 128 Cb 0.21 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1f50 s THR 128 CO 0.30 0.17 1.18 0.29 -0.69 0.00 0.00 174.62 175.88 1f50 n LYS 129 N 3.65 0.07 -2.96 4.92 5.02 -1.26 -4.63 118.16 122.98 1f50 n LYS 129 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1f50 n LYS 129 Cb 0.49 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1f50 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1f50 s VAL 130 N -3.05 4.57 0.18 -0.18 1.01 -1.26 -4.43 120.40 117.23 1f50 s VAL 130 Ca 0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 1f50 s VAL 130 Cb 0.16 -4.45 0.11 0.00 0.00 0.00 0.00 36.38 32.20 1f50 s VAL 130 CO 0.77 -1.01 1.62 0.22 0.00 0.00 0.00 175.10 176.71 1f50 h TYR 131 N 9.20 -0.58 -0.80 5.22 3.20 -1.92 -0.77 116.97 130.52 1f50 h TYR 131 Ca -0.27 0.05 0.13 0.00 3.14 0.00 0.00 58.73 61.78 1f50 h TYR 131 Cb 1.08 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 39.59 1f50 h TYR 131 CO 0.85 -0.31 0.39 0.77 -1.64 0.00 0.00 178.16 178.23 1f50 h SER 132 N -0.14 0.47 0.25 -2.11 0.02 -1.97 -1.63 113.55 108.45 1f50 h SER 132 Ca 0.21 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1f50 h SER 132 Cb 0.46 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1f50 h SER 132 CO -0.52 0.22 -0.11 1.88 -1.14 0.00 0.00 176.83 177.15 1f50 h TYR 133 N 0.59 0.00 -0.99 3.45 0.05 -1.56 -2.39 116.97 116.13 1f50 h TYR 133 Ca 0.42 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.40 1f50 h TYR 133 Cb 0.56 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.19 1f50 h TYR 133 CO -0.11 0.11 0.58 0.00 -1.05 0.00 0.00 178.16 177.70 1f50 h ARG 134 N 0.00 0.67 0.00 4.88 3.08 -0.89 -0.28 114.38 121.85 1f50 h ARG 134 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1f50 h ARG 134 Cb 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1f50 h ARG 134 CO 0.01 0.45 -0.23 0.74 -1.07 0.00 0.00 179.97 179.87 1f50 h PHE 135 N 0.69 0.00 -0.27 3.04 0.04 -1.54 -0.00 116.94 118.90 1f50 h PHE 135 Ca 0.58 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.31 1f50 h PHE 135 Cb 0.96 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1f50 h PHE 135 CO -0.02 0.00 -0.01 0.28 -0.60 0.00 0.00 178.31 177.96 1f50 h VAL 136 N 0.00 1.26 -0.72 -0.55 2.07 -1.07 -0.05 116.25 117.19 1f50 h VAL 136 Ca 0.00 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1f50 h VAL 136 Cb 0.95 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1f50 h VAL 136 CO 0.00 0.30 0.21 -0.50 0.02 0.00 0.00 177.57 177.60 1f50 h TRP 137 N 0.26 1.16 -0.41 1.57 4.06 -0.91 -1.45 115.95 120.23 1f50 h TRP 137 Ca 0.08 -0.12 0.07 0.00 2.06 0.00 0.00 58.89 60.98 1f50 h TRP 137 Cb 0.44 -0.33 -0.06 0.00 -1.00 0.00 0.00 29.16 28.20 1f50 h TRP 137 CO 0.04 0.92 0.04 2.35 -3.56 0.00 0.00 178.44 178.23 1f50 h TRP 138 N 1.07 0.05 -0.51 0.49 7.01 -0.91 -0.26 115.95 122.89 1f50 h TRP 138 Ca 0.23 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 1f50 h TRP 138 Cb 0.32 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 1f50 h TRP 138 CO 0.03 -0.04 0.22 0.00 -2.79 0.00 0.00 178.44 175.86 1f50 h ALA 139 N 1.34 0.66 -0.65 2.65 0.00 -0.44 0.35 119.26 123.17 1f50 h ALA 139 Ca 0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1f50 h ALA 139 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1f50 h ALA 139 CO -0.31 0.25 0.08 0.82 0.00 0.00 0.00 179.25 180.09 1f50 h ILE 140 N 0.68 1.26 -0.75 0.00 2.04 -1.00 0.14 117.51 119.88 1f50 h ILE 140 Ca 0.17 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 1f50 h ILE 140 Cb 0.16 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1f50 h ILE 140 CO -0.02 0.39 0.25 -1.28 0.00 0.00 0.00 178.15 177.50 1f50 h SER 141 N 1.01 1.07 -0.22 1.72 0.87 -0.71 -0.55 113.55 116.75 1f50 h SER 141 Ca 0.19 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 1f50 h SER 141 Cb 0.47 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1f50 h SER 141 CO 0.02 0.98 -0.26 0.74 -0.53 0.00 0.00 176.83 177.78 1f50 h THR 142 N 1.11 1.27 -0.31 2.23 2.02 0.19 0.15 112.91 119.57 1f50 h THR 142 Ca 0.24 -1.37 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 1f50 h THR 142 Cb 0.28 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1f50 h THR 142 CO -0.01 0.45 -0.18 0.00 0.37 0.00 0.00 175.52 176.15 1f50 h ALA 143 N 1.10 1.12 -0.71 6.16 0.00 0.06 0.18 119.26 127.16 1f50 h ALA 143 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1f50 h ALA 143 Cb 0.76 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1f50 h ALA 143 CO 0.06 0.55 0.34 0.00 0.00 0.00 0.00 179.25 180.20 1f50 h ALA 144 N 1.31 0.92 -0.27 0.00 0.00 -0.45 0.47 119.26 121.24 1f50 h ALA 144 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1f50 h ALA 144 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1f50 h ALA 144 CO 0.04 0.49 0.18 1.98 0.00 0.00 0.00 179.25 181.94 1f50 h MET 145 N 1.00 0.35 -0.30 0.00 -1.53 -0.37 0.18 114.93 114.27 1f50 h MET 145 Ca 0.25 -0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.40 1f50 h MET 145 Cb 0.12 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.08 1f50 h MET 145 CO -0.03 0.23 -0.16 -0.07 0.14 0.00 0.00 176.91 177.02 1f50 h LEU 146 N 0.36 0.52 -0.31 3.39 3.38 -0.46 0.40 115.31 122.59 1f50 h LEU 146 Ca 0.10 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1f50 h LEU 146 Cb -0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1f50 h LEU 146 CO -0.03 0.71 0.08 0.22 0.09 0.00 0.00 178.44 179.51 1f50 h TYR 147 N 0.48 0.14 -0.49 1.13 3.20 -0.47 0.23 116.97 121.19 1f50 h TYR 147 Ca 0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1f50 h TYR 147 Cb 0.56 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1f50 h TYR 147 CO 0.02 0.05 0.26 0.82 -1.64 0.00 0.00 178.16 177.67 1f50 h ILE 148 N 0.20 1.17 -0.73 1.81 2.04 -0.01 0.69 117.51 122.69 1f50 h ILE 148 Ca 0.14 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1f50 h ILE 148 Cb 0.14 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1f50 h ILE 148 CO -0.17 0.19 0.26 -0.07 0.00 0.00 0.00 178.15 178.36 1f50 h LEU 149 N 0.65 1.02 -0.19 1.44 3.38 0.02 0.53 115.31 122.17 1f50 h LEU 149 Ca 0.17 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1f50 h LEU 149 Cb 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1f50 h LEU 149 CO -0.03 0.93 -0.14 0.22 0.09 0.00 0.00 178.44 179.51 1f50 h TYR 150 N 1.07 -0.35 -0.81 1.13 3.20 0.04 -2.22 116.97 119.03 1f50 h TYR 150 Ca 0.24 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1f50 h TYR 150 Cb 0.25 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1f50 h TYR 150 CO 0.02 -0.21 0.36 0.28 -1.64 0.00 0.00 178.16 176.97 1f50 h VAL 151 N -0.15 1.26 0.00 1.81 2.07 -0.20 0.15 116.25 121.20 1f50 h VAL 151 Ca 0.11 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1f50 h VAL 151 Cb 0.31 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1f50 h VAL 151 CO -0.27 0.32 -0.01 -0.07 0.02 0.00 0.00 177.57 177.55 1f50 h LEU 152 N 1.16 0.00 0.00 2.57 3.38 -0.35 -2.46 115.31 119.61 1f50 h LEU 152 Ca 0.27 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.00 1f50 h LEU 152 Cb 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1f50 h LEU 152 CO -0.03 0.01 -1.94 0.49 0.09 0.00 0.00 178.44 177.07 1f50 n PHE 153 N -3.19 0.00 -0.45 1.13 3.72 -0.63 -4.63 117.46 113.41 1f50 n PHE 153 Ca -0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 1f50 n PHE 153 Cb 0.15 -0.65 0.07 0.00 -0.94 0.00 0.00 39.48 38.10 1f50 n PHE 153 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1f50 n PHE 154 N -2.76 0.05 -0.18 1.38 3.72 0.45 -4.56 117.46 115.56 1f50 n PHE 154 Ca -0.26 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 1f50 n PHE 154 Cb 0.87 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 1f50 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1f50 n GLY 155 N -0.82 0.25 3.66 1.37 0.00 -0.93 -4.98 105.19 103.74 1f50 n GLY 155 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1f50 n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f50 s PHE 156 N -0.33 2.96 -0.18 1.61 0.08 -1.24 -5.03 117.98 115.86 1f50 s PHE 156 Ca 0.00 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 1f50 s PHE 156 Cb 0.00 -1.56 -0.18 0.00 -0.57 0.00 0.00 43.02 40.71 1f50 s PHE 156 CO 0.00 0.46 3.39 0.43 -0.10 0.00 0.00 175.22 179.40 1f50 n SER 162 N 0.85 5.69 -4.52 1.36 7.64 -1.26 -5.14 113.62 118.24 1f50 n SER 162 Ca -0.12 -2.66 -0.36 0.00 1.01 0.00 0.00 58.87 56.74 1f50 n SER 162 Cb 0.52 -1.38 0.07 0.00 -1.01 0.00 0.00 64.21 62.42 1f50 n SER 162 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1f50 n MET 163 N 2.15 0.38 -1.70 1.43 3.85 -1.26 -4.88 117.12 117.09 1f50 n MET 163 Ca 0.46 0.17 -0.40 0.00 -1.00 0.00 0.00 57.70 56.93 1f50 n MET 163 Cb 0.80 -1.97 0.02 0.00 -1.05 0.00 0.00 33.22 31.02 1f50 n MET 163 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1f50 n ARG 164 N -1.13 1.80 0.12 3.17 1.85 -1.26 -4.76 116.66 116.45 1f50 n ARG 164 Ca 0.11 0.65 0.19 0.00 -1.00 0.00 0.00 57.85 57.80 1f50 n ARG 164 Cb 0.50 -2.38 0.77 0.00 -1.05 0.00 0.00 32.46 30.29 1f50 n ARG 164 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1f50 h PRO 165 N 1.86 0.00 -0.06 2.89 0.13 -2.00 0.27 132.00 135.09 1f50 h PRO 165 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1f50 h PRO 165 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1f50 h PRO 165 CO 0.59 0.00 -0.68 1.05 -0.23 0.00 0.00 178.00 178.73 1f50 h GLU 166 N 0.00 0.27 0.76 0.86 4.11 -1.99 -2.11 114.58 116.49 1f50 h GLU 166 Ca 0.16 -0.21 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1f50 h GLU 166 Cb 0.85 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1f50 h GLU 166 CO -0.00 0.85 -0.36 0.28 0.07 0.00 0.00 179.01 179.84 1f50 h VAL 167 N 0.19 0.05 -0.57 -1.06 2.07 -0.81 -2.89 116.25 113.23 1f50 h VAL 167 Ca -0.02 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1f50 h VAL 167 Cb 1.22 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1f50 h VAL 167 CO 0.11 0.01 -0.34 0.00 0.02 0.00 0.00 177.57 177.37 1f50 n ALA 168 N -2.68 -0.36 -0.24 1.67 0.00 -0.96 0.67 120.51 118.61 1f50 n ALA 168 Ca -0.13 0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.82 1f50 n ALA 168 Cb 0.41 0.07 0.15 0.00 0.00 0.00 0.00 19.45 20.08 1f50 n ALA 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f50 h SER 169 N 0.00 0.28 0.16 0.00 0.87 -1.47 1.49 113.55 114.89 1f50 h SER 169 Ca 0.09 0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 60.45 1f50 h SER 169 Cb 0.23 0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1f50 h SER 169 CO -0.53 0.14 -1.21 0.74 -0.53 0.00 0.00 176.83 175.44 1f50 h THR 170 N 0.45 1.30 -0.38 2.23 2.02 -1.00 -1.76 112.91 115.78 1f50 h THR 170 Ca 0.36 -2.47 0.04 0.00 0.77 0.00 0.00 66.41 65.11 1f50 h THR 170 Cb 0.49 2.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.52 1f50 h THR 170 CO -0.35 0.75 0.15 0.15 0.37 0.00 0.00 175.52 176.59 1f50 h PHE 171 N 0.27 0.27 -0.10 3.16 3.57 0.15 0.85 116.94 125.11 1f50 h PHE 171 Ca -0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.28 1f50 h PHE 171 Cb 1.87 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 1f50 h PHE 171 CO 0.11 0.12 -0.25 0.87 -2.23 0.00 0.00 178.31 176.93 1f50 h LYS 172 N 0.32 0.17 -0.10 1.11 1.57 0.22 0.69 116.57 120.55 1f50 h LYS 172 Ca 0.17 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1f50 h LYS 172 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1f50 h LYS 172 CO -0.16 0.42 -0.07 0.28 -0.57 0.00 0.00 179.45 179.35 1f50 h VAL 173 N 0.16 1.34 -0.54 0.50 2.07 -0.94 -1.82 116.25 117.01 1f50 h VAL 173 Ca 0.03 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.29 1f50 h VAL 173 Cb 0.54 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1f50 h VAL 173 CO 0.04 0.33 -0.07 -0.07 0.02 0.00 0.00 177.57 177.81 1f50 h LEU 174 N -0.16 0.98 -1.02 2.57 3.38 -0.14 0.82 115.31 121.75 1f50 h LEU 174 Ca 0.02 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1f50 h LEU 174 Cb 0.55 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1f50 h LEU 174 CO 0.02 1.07 0.66 -0.09 0.09 0.00 0.00 178.44 180.19 1f50 h ARG 175 N 0.89 1.24 -0.22 1.13 2.43 0.35 0.75 114.38 120.96 1f50 h ARG 175 Ca 0.15 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 1f50 h ARG 175 Cb 0.62 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1f50 h ARG 175 CO 0.04 0.82 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.83 1f50 h ASN 176 N 1.28 0.78 -0.52 -3.80 2.35 -0.84 -0.60 115.58 114.23 1f50 h ASN 176 Ca 0.40 -0.43 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1f50 h ASN 176 Cb -0.01 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1f50 h ASN 176 CO -0.12 1.19 0.28 0.58 -1.65 0.00 0.00 177.43 177.71 1f50 h VAL 177 N 0.53 1.00 0.09 2.81 2.07 0.05 -1.50 116.25 121.30 1f50 h VAL 177 Ca 0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1f50 h VAL 177 Cb 1.16 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1f50 h VAL 177 CO 0.12 0.10 -0.04 0.74 0.02 0.00 0.00 177.57 178.50 1f50 h THR 178 N 0.55 0.95 -0.58 2.57 2.02 0.76 0.11 112.91 119.30 1f50 h THR 178 Ca 0.22 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1f50 h THR 178 Cb 0.09 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1f50 h THR 178 CO -0.13 0.04 0.19 0.58 0.37 0.00 0.00 175.52 176.56 1f50 h VAL 179 N -0.20 1.24 -0.16 3.16 2.07 -0.91 0.46 116.25 121.90 1f50 h VAL 179 Ca -0.01 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1f50 h VAL 179 Cb 0.16 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1f50 h VAL 179 CO 0.02 0.31 -0.06 0.58 0.02 0.00 0.00 177.57 178.44 1f50 h VAL 180 N 0.82 1.30 -0.01 2.57 2.07 -1.19 -1.18 116.25 120.63 1f50 h VAL 180 Ca 0.19 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1f50 h VAL 180 Cb 0.28 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1f50 h VAL 180 CO -0.01 0.31 -0.01 -0.07 0.02 0.00 0.00 177.57 177.82 1f50 h LEU 181 N 0.02 0.02 -1.39 2.57 3.38 -0.52 -3.17 115.31 116.23 1f50 h LEU 181 Ca 0.04 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1f50 h LEU 181 Cb 0.51 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1f50 h LEU 181 CO 0.02 0.57 0.40 -0.50 0.09 0.00 0.00 178.44 179.01 1f50 h TRP 182 N -0.53 0.77 0.00 1.13 4.06 -0.18 -1.17 115.95 120.03 1f50 h TRP 182 Ca 0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1f50 h TRP 182 Cb 0.56 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1f50 h TRP 182 CO 0.12 0.49 -0.02 0.77 -3.56 0.00 0.00 178.44 176.24 1f50 h SER 183 N 0.83 0.00 0.76 -3.49 0.02 -1.22 -1.94 113.55 108.51 1f50 h SER 183 Ca 0.22 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 1f50 h SER 183 Cb -0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1f50 h SER 183 CO -0.05 0.02 -0.66 0.00 -1.14 0.00 0.00 176.83 175.01 1f50 h ALA 184 N 1.98 0.84 -0.21 3.77 0.00 -1.18 -3.32 119.26 121.14 1f50 h ALA 184 Ca -0.00 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1f50 h ALA 184 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1f50 h ALA 184 CO 0.00 0.82 0.12 1.88 0.00 0.00 0.00 179.25 182.08 1f50 h TYR 185 N 0.00 0.22 0.00 0.00 -1.99 -1.33 0.14 116.97 114.01 1f50 h TYR 185 Ca -0.01 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1f50 h TYR 185 Cb 1.22 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.88 1f50 h TYR 185 CO 0.00 0.13 -0.04 -1.00 -0.00 0.00 0.00 178.16 177.25 1f50 h PRO 186 N 0.25 0.00 -0.20 4.88 0.13 -1.71 -0.51 132.00 134.83 1f50 h PRO 186 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 1f50 h PRO 186 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1f50 h PRO 186 CO -0.04 0.04 -0.43 0.28 -0.23 0.00 0.00 178.00 177.62 1f50 h VAL 187 N 0.00 1.32 -0.38 1.56 2.07 -1.34 0.16 116.25 119.64 1f50 h VAL 187 Ca -0.00 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 65.86 1f50 h VAL 187 Cb 0.09 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1f50 h VAL 187 CO 0.01 0.52 0.25 0.58 0.02 0.00 0.00 177.57 178.94 1f50 h VAL 188 N 0.32 1.09 -0.54 2.57 2.07 -0.29 0.97 116.25 122.44 1f50 h VAL 188 Ca 0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1f50 h VAL 188 Cb 1.04 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1f50 h VAL 188 CO 0.09 0.09 0.30 -0.25 0.02 0.00 0.00 177.57 177.83 1f50 h TRP 189 N 0.50 0.56 -0.29 1.57 7.01 -1.10 0.40 115.95 124.59 1f50 h TRP 189 Ca 0.14 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1f50 h TRP 189 Cb -0.05 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1f50 h TRP 189 CO -0.05 0.29 0.08 1.25 -2.79 0.00 0.00 178.44 177.22 1f50 h LEU 190 N 0.58 0.43 0.00 0.65 5.85 -0.06 -1.69 115.31 121.07 1f50 h LEU 190 Ca 0.23 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1f50 h LEU 190 Cb 0.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1f50 h LEU 190 CO -0.14 0.53 -0.47 0.16 -0.34 0.00 0.00 178.44 178.18 1f50 h ILE 191 N 0.31 0.00 -3.42 4.05 3.07 -0.62 0.22 117.51 121.13 1f50 h ILE 191 Ca 0.09 -0.67 -0.19 0.00 1.55 0.00 0.00 64.86 65.64 1f50 h ILE 191 Cb 0.26 1.39 0.06 0.00 -0.27 0.00 0.00 36.82 38.26 1f50 h ILE 191 CO -0.00 0.00 0.12 0.61 -1.05 0.00 0.00 178.15 177.83 1f50 n GLY 192 N 1.26 -0.43 0.26 0.16 0.00 0.14 0.11 105.19 106.68 1f50 n GLY 192 Ca 0.03 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.41 1f50 n GLY 192 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1f50 h SER 193 N -0.54 0.00 0.44 1.61 4.64 -1.76 -0.10 113.55 117.84 1f50 h SER 193 Ca -0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1f50 h SER 193 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1f50 h SER 193 CO 0.14 0.00 -0.50 -0.08 -0.87 0.00 0.00 176.83 175.52 1f50 h GLU 194 N 0.00 0.07 0.00 4.77 4.57 -1.89 -3.44 114.58 118.67 1f50 h GLU 194 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1f50 h GLU 194 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1f50 h GLU 194 CO 0.00 0.55 0.00 0.41 -1.18 0.00 0.00 179.01 178.79 1f50 n GLY 195 N -0.06 1.22 0.08 1.92 0.00 -0.39 -4.87 105.19 103.09 1f50 n GLY 195 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1f50 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f50 n ALA 196 N -3.00 2.49 -1.71 4.61 0.00 0.79 -4.94 120.51 118.75 1f50 n ALA 196 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1f50 n ALA 196 Cb 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1f50 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f50 n GLY 197 N 1.34 0.37 0.16 0.00 0.00 -0.19 -4.92 105.19 101.94 1f50 n GLY 197 Ca 0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1f50 n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1f50 h ILE 198 N 0.00 1.42 -4.03 -0.61 2.04 -0.52 -3.44 117.51 112.36 1f50 h ILE 198 Ca -0.04 -2.39 -0.69 0.00 1.00 0.00 0.00 64.86 62.75 1f50 h ILE 198 Cb 0.72 2.33 -0.29 0.00 -0.74 0.00 0.00 36.82 38.85 1f50 h ILE 198 CO 0.04 0.71 -0.84 -0.69 0.00 0.00 0.00 178.15 177.37 1f50 s VAL 199 N -3.36 2.43 0.91 1.67 1.01 -0.04 -5.02 120.40 118.00 1f50 s VAL 199 Ca -0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1f50 s VAL 199 Cb 0.10 -1.92 0.14 0.00 0.00 0.00 0.00 36.38 34.70 1f50 s VAL 199 CO 0.85 0.57 1.10 -2.84 0.00 0.00 0.00 175.10 174.78 1f50 s PRO 200 N -0.31 1.09 0.28 2.72 0.02 -1.26 -2.82 135.00 134.71 1f50 s PRO 200 Ca 0.01 1.20 -0.00 0.00 0.02 0.00 0.00 61.00 62.24 1f50 s PRO 200 Cb -0.13 -1.76 0.51 0.00 0.02 0.00 0.00 34.50 33.14 1f50 s PRO 200 CO 0.02 -2.47 1.84 1.25 -0.33 0.00 0.00 177.00 177.32 1f50 h LEU 201 N -1.73 0.94 -1.10 -5.54 5.85 -1.96 0.90 115.31 112.67 1f50 h LEU 201 Ca -0.47 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 1f50 h LEU 201 Cb 1.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1f50 h LEU 201 CO 0.48 0.53 -0.32 -0.55 -0.34 0.00 0.00 178.44 178.24 1f50 h ASN 202 N 1.03 0.23 0.62 1.25 7.08 -1.94 0.21 115.58 124.05 1f50 h ASN 202 Ca 0.48 -0.08 -0.25 0.00 -3.08 0.00 0.00 56.30 53.36 1f50 h ASN 202 Cb 0.40 -0.06 -0.00 0.00 -2.08 0.00 0.00 38.32 36.58 1f50 h ASN 202 CO -0.24 0.54 -1.14 0.40 -2.08 0.00 0.00 177.43 174.91 1f50 h ILE 203 N 0.20 1.50 -0.57 6.14 1.08 -1.65 -0.07 117.51 124.15 1f50 h ILE 203 Ca 0.03 -2.96 -0.04 0.00 -0.39 0.00 0.00 64.86 61.50 1f50 h ILE 203 Cb 0.67 2.81 -0.03 0.00 -3.07 0.00 0.00 36.82 37.20 1f50 h ILE 203 CO 0.05 0.86 0.20 -0.61 -0.69 0.00 0.00 178.15 177.97 1f50 h GLN 204 N 0.09 0.83 -0.41 2.37 4.15 -0.48 0.17 115.11 121.83 1f50 h GLN 204 Ca -0.11 -0.14 -0.14 0.00 0.77 0.00 0.00 58.65 59.04 1f50 h GLN 204 Cb 1.85 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.39 1f50 h GLN 204 CO 0.18 0.70 -0.29 1.15 -1.93 0.00 0.00 178.83 178.64 1f50 h THR 205 N 0.82 1.27 -0.15 2.39 2.02 -0.47 0.44 112.91 119.24 1f50 h THR 205 Ca 0.19 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 65.95 1f50 h THR 205 Cb 0.20 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1f50 h THR 205 CO -0.01 0.49 -0.08 0.25 0.37 0.00 0.00 175.52 176.53 1f50 h LEU 206 N 0.74 -0.28 -0.27 2.58 5.85 -0.61 0.02 115.31 123.35 1f50 h LEU 206 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1f50 h LEU 206 Cb 0.88 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1f50 h LEU 206 CO 0.08 -0.11 0.17 -0.07 -0.34 0.00 0.00 178.44 178.17 1f50 h LEU 207 N -0.08 0.32 -1.46 2.25 3.38 -0.35 -0.69 115.31 118.68 1f50 h LEU 207 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1f50 h LEU 207 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1f50 h LEU 207 CO -0.20 0.25 -0.05 -0.26 0.09 0.00 0.00 178.44 178.27 1f50 h PHE 208 N 0.36 0.29 -0.46 1.13 0.04 -0.82 -0.62 116.94 116.86 1f50 h PHE 208 Ca 0.10 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 1f50 h PHE 208 Cb -0.02 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1f50 h PHE 208 CO -0.05 0.35 -0.11 1.98 -0.60 0.00 0.00 178.31 179.88 1f50 h MET 209 N 0.28 0.89 -0.43 1.51 4.05 -0.08 0.30 114.93 121.45 1f50 h MET 209 Ca 0.06 -0.34 -0.03 0.00 -0.28 0.00 0.00 59.70 59.11 1f50 h MET 209 Cb 0.28 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1f50 h MET 209 CO 0.01 0.98 0.15 0.28 0.23 0.00 0.00 176.91 178.57 1f50 h VAL 210 N 0.73 1.21 -0.29 -5.77 2.07 -0.93 0.10 116.25 113.37 1f50 h VAL 210 Ca 0.12 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1f50 h VAL 210 Cb 0.66 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1f50 h VAL 210 CO 0.05 0.24 0.16 -0.07 0.02 0.00 0.00 177.57 177.97 1f50 h LEU 211 N 0.55 0.36 -0.24 2.57 3.38 -1.05 -0.81 115.31 120.07 1f50 h LEU 211 Ca 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1f50 h LEU 211 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1f50 h LEU 211 CO -0.01 0.34 0.08 0.44 0.09 0.00 0.00 178.44 179.38 1f50 h ASP 212 N 0.35 0.35 -0.47 -0.43 3.32 -0.09 0.96 116.42 120.39 1f50 h ASP 212 Ca 0.10 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1f50 h ASP 212 Cb 0.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1f50 h ASP 212 CO -0.02 0.45 0.27 0.58 -1.72 0.00 0.00 179.24 178.81 1f50 h VAL 213 N 0.22 1.15 -0.62 -1.35 2.07 -0.81 0.28 116.25 117.20 1f50 h VAL 213 Ca 0.08 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1f50 h VAL 213 Cb 0.23 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1f50 h VAL 213 CO -0.00 0.16 0.10 0.28 0.02 0.00 0.00 177.57 178.13 1f50 h SER 214 N 0.63 0.95 1.70 0.57 0.02 -0.67 0.27 113.55 117.01 1f50 h SER 214 Ca 0.17 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1f50 h SER 214 Cb 0.02 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1f50 h SER 214 CO -0.03 0.95 0.00 0.00 -1.14 0.00 0.00 176.83 176.62 1f50 h ALA 215 N 1.16 1.00 0.00 3.77 0.00 0.13 0.13 119.26 125.45 1f50 h ALA 215 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1f50 h ALA 215 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1f50 h ALA 215 CO 0.01 0.00 -0.89 1.63 0.00 0.00 0.00 179.25 180.00 1f50 n LYS 216 N -2.95 0.40 0.05 0.00 5.02 0.94 -4.27 118.16 117.35 1f50 n LYS 216 Ca 0.04 0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 56.28 1f50 n LYS 216 Cb 0.46 -1.20 -0.14 0.00 -0.02 0.00 0.00 35.03 34.14 1f50 n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f50 h VAL 217 N -0.74 1.45 -0.03 -0.18 2.07 -0.73 -0.80 116.25 117.27 1f50 h VAL 217 Ca -0.06 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.01 1f50 h VAL 217 Cb 0.82 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1f50 h VAL 217 CO -0.03 0.71 0.00 1.23 0.02 0.00 0.00 177.57 179.49 1f50 h GLY 218 N -0.19 0.06 -0.42 2.17 0.00 -0.55 0.22 103.07 104.35 1f50 h GLY 218 Ca -0.14 -0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.34 1f50 h GLY 218 CO 0.17 0.04 0.07 -2.75 0.00 0.00 0.00 176.54 174.07 1f50 h PHE 219 N -0.23 0.06 -0.01 5.60 3.04 -0.88 -0.97 116.94 123.56 1f50 h PHE 219 Ca 0.01 0.06 -0.16 0.00 3.98 0.00 0.00 57.97 61.85 1f50 h PHE 219 Cb 0.30 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 1f50 h PHE 219 CO 0.03 -0.24 -0.75 0.78 -2.02 0.00 0.00 178.31 176.10 1f50 h GLY 220 N 0.13 0.09 0.88 2.40 0.00 -0.26 -0.27 103.07 106.05 1f50 h GLY 220 Ca 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1f50 h GLY 220 CO -0.68 0.12 0.02 1.41 0.00 0.00 0.00 176.54 177.42 1f50 h LEU 221 N 0.05 0.07 -0.38 3.11 3.38 -0.10 0.82 115.31 122.26 1f50 h LEU 221 Ca -0.02 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1f50 h LEU 221 Cb 1.33 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1f50 h LEU 221 CO 0.10 0.17 0.09 0.40 0.09 0.00 0.00 178.44 179.30 1f50 h ILE 222 N -0.05 0.83 -0.17 1.22 2.04 -0.97 -2.18 117.51 118.23 1f50 h ILE 222 Ca 0.02 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1f50 h ILE 222 Cb 0.13 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1f50 h ILE 222 CO -0.00 0.04 -0.03 0.25 0.00 0.00 0.00 178.15 178.41 1f50 h LEU 223 N 0.22 0.33 0.00 1.44 5.85 -0.73 -3.01 115.31 119.41 1f50 h LEU 223 Ca 0.18 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1f50 h LEU 223 Cb 0.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1f50 h LEU 223 CO -0.22 0.60 0.00 0.18 -0.34 0.00 0.00 178.44 178.66 1f50 n LEU 224 N -4.68 0.00 -0.01 2.25 4.77 0.28 -2.37 117.00 117.24 1f50 n LEU 224 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 1f50 n LEU 224 Cb 0.25 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1f50 n LEU 224 CO 0.37 0.00 -0.71 0.54 -1.33 0.00 0.00 177.39 176.26 1f50 n ARG 225 N -0.94 0.71 -2.28 3.23 3.00 -0.83 -4.98 116.66 114.57 1f50 n ARG 225 Ca 0.19 0.27 -0.35 0.00 -0.01 0.00 0.00 57.85 57.95 1f50 n ARG 225 Cb 0.09 -1.74 -0.00 0.00 0.00 0.00 0.00 32.46 30.81 1f50 n ARG 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1f50 s SER 226 N -6.64 5.85 0.00 0.55 0.15 -1.00 -4.93 113.70 107.67 1f50 s SER 226 Ca -0.15 2.19 0.26 0.00 0.70 0.00 0.00 55.95 58.95 1f50 s SER 226 Cb 0.07 -2.58 1.40 0.00 -1.71 0.00 0.00 66.02 63.19 1f50 s SER 226 CO 0.79 -1.13 1.92 -1.14 1.20 0.00 0.00 173.24 174.88 1f50 n ARG 227 N -1.12 1.21 0.23 5.44 3.00 -1.26 -3.71 116.66 120.44 1f50 n ARG 227 Ca 0.11 -0.30 0.12 0.00 -0.00 0.00 0.00 57.85 57.78 1f50 n ARG 227 Cb 0.50 -1.43 0.74 0.00 0.00 0.00 0.00 32.46 32.28 1f50 n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1f50 h ALA 228 N 3.96 1.92 0.00 5.13 0.00 -1.88 -2.14 119.26 126.24 1f50 h ALA 228 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f50 h ALA 228 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f50 h ALA 228 CO 0.00 -0.12 -0.08 0.44 0.00 0.00 0.00 179.25 179.50 1f50 n ILE 229 N -4.26 0.03 -3.47 0.00 -5.35 -1.24 -4.75 119.36 100.32 1f50 n ILE 229 Ca -0.01 -0.02 -0.38 0.00 -0.27 0.00 0.00 62.75 62.08 1f50 n ILE 229 Cb 0.18 -0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 37.62 1f50 n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1f50 s PHE 230 N -3.01 3.66 -2.00 4.28 0.08 -0.81 -2.21 117.98 117.98 1f50 s PHE 230 Ca 0.13 0.92 0.17 0.00 0.12 0.00 0.00 56.93 58.27 1f50 s PHE 230 Cb 0.18 -2.34 0.99 0.00 -0.57 0.00 0.00 43.02 41.28 1f50 s PHE 230 CO 0.56 0.51 1.40 0.41 -0.10 0.00 0.00 175.22 177.99