#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fee h ARG 18 N 0.00 0.61 -0.88 2.89 2.43 -2.06 -2.68 114.38 114.69 2fee h ARG 18 Ca 0.00 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2fee h ARG 18 Cb 0.00 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 2fee h ARG 18 CO 0.00 0.47 0.57 -0.09 -1.51 0.00 0.00 179.97 179.40 2fee h ARG 19 N 0.58 0.83 -0.07 0.20 2.43 -2.06 -0.87 114.38 115.42 2fee h ARG 19 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2fee h ARG 19 Cb 0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2fee h ARG 19 CO -0.03 0.55 0.04 0.37 -1.51 0.00 0.00 179.97 179.39 2fee h GLN 20 N 0.86 0.08 -0.62 0.20 4.15 -1.97 -2.27 115.11 115.54 2fee h GLN 20 Ca 0.41 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.90 2fee h GLN 20 Cb 0.42 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 2fee h GLN 20 CO -0.17 0.05 0.29 1.25 -1.93 0.00 0.00 178.83 178.32 2fee h LEU 21 N 0.08 0.38 -0.74 -2.39 5.85 -0.86 0.39 115.31 118.02 2fee h LEU 21 Ca 0.03 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2fee h LEU 21 Cb -0.00 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2fee h LEU 21 CO -0.02 0.24 0.44 0.40 -0.34 0.00 0.00 178.44 179.16 2fee h ILE 22 N 0.53 1.01 -0.50 4.05 2.04 -1.07 0.35 117.51 123.92 2fee h ILE 22 Ca 0.29 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2fee h ILE 22 Cb 0.28 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2fee h ILE 22 CO -0.23 0.15 0.05 -0.09 0.00 0.00 0.00 178.15 178.02 2fee h ARG 23 N 0.81 0.85 0.09 2.37 9.65 -0.69 -2.71 114.38 124.75 2fee h ARG 23 Ca 0.32 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2fee h ARG 23 Cb 0.16 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2fee h ARG 23 CO -0.17 0.86 -0.05 1.96 2.80 0.00 0.00 179.97 185.37 2fee h GLN 24 N 0.72 -0.12 -0.35 0.20 4.20 -0.19 -3.00 115.11 116.57 2fee h GLN 24 Ca 0.15 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.94 2fee h GLN 24 Cb 0.45 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.18 2fee h GLN 24 CO 0.02 0.06 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.00 2fee h LEU 25 N -0.29 -0.58 -0.61 1.46 3.38 -0.33 0.18 115.31 118.51 2fee h LEU 25 Ca -0.01 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2fee h LEU 25 Cb 0.24 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2fee h LEU 25 CO 0.02 -0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.52 2fee n LEU 26 N -5.35 0.35 -0.45 1.67 4.77 -1.02 -2.38 117.00 114.58 2fee n LEU 26 Ca 0.01 0.62 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 2fee n LEU 26 Cb 0.26 -0.62 0.18 0.00 -2.33 0.00 0.00 43.42 40.92 2fee n LEU 26 CO 0.14 -0.60 0.63 -0.62 -1.33 0.00 0.00 177.39 175.61 2fee n GLU 27 N -1.92 2.20 -2.54 3.23 -0.58 0.55 -5.05 120.64 116.52 2fee n GLU 27 Ca 0.01 -2.58 -0.33 0.00 -0.42 0.00 0.00 57.16 53.84 2fee n GLU 27 Cb 0.11 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.34 2fee n GLU 27 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2fee s ARG 28 N -2.61 3.93 -1.22 3.49 3.52 -0.76 -4.20 118.95 121.10 2fee s ARG 28 Ca 0.34 1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 57.08 2fee s ARG 28 Cb 0.28 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.53 2fee s ARG 28 CO 0.06 -0.30 0.89 -3.47 -0.81 0.00 0.00 175.30 171.67 2fee n ASP 29 N -1.13 -2.27 -3.93 -2.12 4.64 -1.26 -5.00 116.55 105.47 2fee n ASP 29 Ca 0.08 -0.70 -0.30 0.00 -1.38 0.00 0.00 54.79 52.48 2fee n ASP 29 Cb 0.53 -4.74 -0.15 0.00 -1.04 0.00 0.00 41.12 35.72 2fee n ASP 29 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2fee s LYS 30 N -5.48 1.56 -0.24 -0.67 1.02 -1.26 -5.09 119.74 109.57 2fee s LYS 30 Ca 0.06 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 54.95 2fee s LYS 30 Cb -0.01 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2fee s LYS 30 CO 0.76 -0.65 -0.04 0.99 -0.92 0.00 0.00 175.35 175.49 2fee s THR 31 N 1.37 3.17 -0.35 2.17 2.01 -1.26 -5.07 115.64 117.69 2fee s THR 31 Ca -0.04 -0.79 -0.43 0.00 0.31 0.00 0.00 61.69 60.75 2fee s THR 31 Cb -0.19 -2.55 -0.19 0.00 0.01 0.00 0.00 72.50 69.59 2fee s THR 31 CO -0.08 0.28 1.38 -2.65 -0.69 0.00 0.00 174.62 172.86 2fee n PRO 32 N 4.74 0.00 -0.38 4.92 -0.02 -1.26 -4.75 135.00 138.26 2fee n PRO 32 Ca -0.17 0.00 0.32 0.00 -2.02 0.00 0.00 63.50 61.63 2fee n PRO 32 Cb 0.49 -1.42 0.64 0.00 -0.02 0.00 0.00 33.50 33.19 2fee n PRO 32 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2fee h LEU 33 N 4.23 0.23 0.05 2.45 6.46 -2.00 0.24 115.31 126.97 2fee h LEU 33 Ca -0.43 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.41 2fee h LEU 33 Cb 1.31 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 2fee h LEU 33 CO 0.84 -0.01 -0.20 0.00 -0.62 0.00 0.00 178.44 178.45 2fee h ALA 34 N 1.51 -0.29 0.09 1.25 0.00 -1.99 -1.12 119.26 118.70 2fee h ALA 34 Ca 0.66 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.58 2fee h ALA 34 Cb 2.15 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 20.24 2fee h ALA 34 CO -0.21 -0.71 -0.34 0.82 0.00 0.00 0.00 179.25 178.81 2fee h ILE 35 N -0.35 0.29 -0.20 0.00 2.04 -0.85 -0.13 117.51 118.30 2fee h ILE 35 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2fee h ILE 35 Cb 0.40 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 2fee h ILE 35 CO -0.15 0.00 -0.47 -0.07 0.00 0.00 0.00 178.15 177.46 2fee h LEU 36 N -0.55 -1.49 -1.46 1.44 3.38 -1.40 0.37 115.31 115.61 2fee h LEU 36 Ca 0.04 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2fee h LEU 36 Cb 0.59 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2fee h LEU 36 CO -0.21 -0.43 0.43 0.15 0.09 0.00 0.00 178.44 178.46 2fee h PHE 37 N -0.48 0.67 -0.07 1.13 3.57 -0.99 -1.33 116.94 119.44 2fee h PHE 37 Ca 0.08 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 2fee h PHE 37 Cb 0.63 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2fee h PHE 37 CO -0.56 0.36 -0.61 0.52 -2.23 0.00 0.00 178.31 175.79 2fee h MET 38 N 0.67 0.24 -0.54 1.11 2.86 -0.13 -2.77 114.93 116.36 2fee h MET 38 Ca 0.28 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2fee h MET 38 Cb 0.25 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2fee h MET 38 CO -0.09 0.78 0.22 0.00 1.06 0.00 0.00 176.91 178.88 2fee h ALA 39 N 1.18 0.70 -0.30 6.32 0.00 0.14 -1.37 119.26 125.94 2fee h ALA 39 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2fee h ALA 39 Cb 1.12 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2fee h ALA 39 CO 0.09 0.31 -0.14 0.00 0.00 0.00 0.00 179.25 179.51 2fee h ALA 40 N 1.07 0.09 -0.62 0.00 0.00 -1.19 0.29 119.26 118.89 2fee h ALA 40 Ca 0.18 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2fee h ALA 40 Cb 0.19 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2fee h ALA 40 CO -0.02 -0.54 0.11 -0.24 0.00 0.00 0.00 179.25 178.57 2fee h VAL 41 N -0.10 1.26 -0.18 0.00 3.04 -1.36 -2.46 116.25 116.45 2fee h VAL 41 Ca 0.15 -1.00 0.03 0.00 -1.01 0.00 0.00 66.70 64.88 2fee h VAL 41 Cb 0.33 0.70 -0.06 0.00 -2.01 0.00 0.00 31.29 30.26 2fee h VAL 41 CO -0.36 0.37 -0.46 0.58 -1.01 0.00 0.00 177.57 176.68 2fee h VAL 42 N 0.94 0.00 -0.41 1.51 2.07 -0.43 -1.57 116.25 118.36 2fee h VAL 42 Ca 0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 2fee h VAL 42 Cb 0.42 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 2fee h VAL 42 CO 0.01 0.00 -0.11 1.23 0.02 0.00 0.00 177.57 178.72 2fee h GLY 43 N -0.45 0.27 0.42 2.17 0.00 -0.88 -0.31 103.07 104.29 2fee h GLY 43 Ca 0.04 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.61 2fee h GLY 43 CO -0.41 -0.16 0.29 -0.84 0.00 0.00 0.00 176.54 175.42 2fee h THR 44 N -0.02 0.80 -0.04 4.70 2.02 -1.20 0.23 112.91 119.41 2fee h THR 44 Ca 0.20 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2fee h THR 44 Cb 0.32 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2fee h THR 44 CO -0.43 0.09 -0.02 -0.07 0.37 0.00 0.00 175.52 175.46 2fee h LEU 45 N 0.50 0.09 -1.06 2.58 3.38 -0.66 -2.15 115.31 117.99 2fee h LEU 45 Ca 0.33 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2fee h LEU 45 Cb 0.38 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2fee h LEU 45 CO -0.29 0.46 0.63 0.58 0.09 0.00 0.00 178.44 179.91 2fee h VAL 46 N -0.28 1.08 0.91 1.22 2.07 -0.64 0.28 116.25 120.88 2fee h VAL 46 Ca 0.01 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2fee h VAL 46 Cb 0.43 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2fee h VAL 46 CO 0.01 0.21 -0.44 1.23 0.02 0.00 0.00 177.57 178.59 2fee h GLY 47 N 1.12 -1.28 0.48 2.17 0.00 -0.51 0.25 103.07 105.29 2fee h GLY 47 Ca 0.42 0.48 0.09 0.00 0.00 0.00 0.00 47.33 48.31 2fee h GLY 47 CO -0.16 -0.46 0.33 1.41 0.00 0.00 0.00 176.54 177.65 2fee h LEU 48 N -1.22 0.42 -0.02 3.11 3.38 -1.04 0.25 115.31 120.18 2fee h LEU 48 Ca -0.12 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2fee h LEU 48 Cb 0.94 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2fee h LEU 48 CO 0.20 0.25 -0.07 0.00 0.09 0.00 0.00 178.44 178.90 2fee h ALA 49 N 1.42 -0.06 -0.41 1.53 0.00 -0.22 0.19 119.26 121.71 2fee h ALA 49 Ca 0.34 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2fee h ALA 49 Cb 0.35 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2fee h ALA 49 CO -0.27 -0.56 -0.12 0.00 0.00 0.00 0.00 179.25 178.30 2fee h ALA 50 N 0.89 1.02 0.41 0.00 0.00 0.27 0.12 119.26 121.97 2fee h ALA 50 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2fee h ALA 50 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2fee h ALA 50 CO -0.09 0.59 -0.30 0.28 0.00 0.00 0.00 179.25 179.73 2fee h VAL 51 N 0.66 0.37 -0.41 0.00 2.07 -0.17 0.70 116.25 119.48 2fee h VAL 51 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2fee h VAL 51 Cb 0.59 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2fee h VAL 51 CO 0.04 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.82 2fee h ALA 52 N -0.20 0.51 -0.71 1.67 0.00 -0.32 -0.40 119.26 119.81 2fee h ALA 52 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2fee h ALA 52 Cb 0.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2fee h ALA 52 CO 0.01 -0.18 0.46 0.35 0.00 0.00 0.00 179.25 179.89 2fee h PHE 53 N 0.38 0.87 -0.38 0.00 3.57 -0.64 0.82 116.94 121.57 2fee h PHE 53 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2fee h PHE 53 Cb 0.11 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2fee h PHE 53 CO -0.12 0.54 0.16 0.22 -2.23 0.00 0.00 178.31 176.88 2fee h ASP 54 N 0.93 0.52 -0.77 0.41 3.58 -0.06 -1.47 116.42 119.57 2fee h ASP 54 Ca 0.27 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2fee h ASP 54 Cb -0.08 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 2fee h ASP 54 CO -0.07 0.54 0.43 0.11 -2.88 0.00 0.00 179.24 177.37 2fee h LYS 55 N 0.47 1.06 0.15 0.28 1.79 -0.78 -1.64 116.57 117.90 2fee h LYS 55 Ca 0.13 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2fee h LYS 55 Cb 0.17 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2fee h LYS 55 CO -0.01 0.78 -0.20 0.78 -1.08 0.00 0.00 179.45 179.71 2fee h GLY 56 N 1.06 -0.40 1.01 3.86 0.00 -0.56 0.30 103.07 108.34 2fee h GLY 56 Ca 0.27 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.84 2fee h GLY 56 CO -0.05 -0.19 0.64 -2.08 0.00 0.00 0.00 176.54 174.87 2fee h VAL 57 N -0.41 1.25 0.29 4.60 2.07 -1.15 -2.12 116.25 120.78 2fee h VAL 57 Ca 0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2fee h VAL 57 Cb 0.41 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2fee h VAL 57 CO -0.08 0.24 -0.14 0.00 0.02 0.00 0.00 177.57 177.61 2fee h ALA 58 N 1.35 -0.39 -0.79 1.67 0.00 -1.03 -2.32 119.26 117.76 2fee h ALA 58 Ca 0.36 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.32 2fee h ALA 58 Cb -0.15 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 2fee h ALA 58 CO -0.08 -0.68 0.29 2.35 0.00 0.00 0.00 179.25 181.13 2fee h TRP 59 N -0.46 0.48 -0.29 0.00 7.01 -0.50 -1.22 115.95 120.96 2fee h TRP 59 Ca -0.04 0.04 -0.14 0.00 2.11 0.00 0.00 58.89 60.86 2fee h TRP 59 Cb 0.35 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2fee h TRP 59 CO -0.04 -0.00 -0.37 -0.07 -2.79 0.00 0.00 178.44 175.17 2fee h LEU 60 N 0.39 0.83 -1.70 0.65 3.38 -1.31 0.54 115.31 118.09 2fee h LEU 60 Ca 0.45 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2fee h LEU 60 Cb 0.75 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2fee h LEU 60 CO -0.47 1.16 -0.13 1.56 0.09 0.00 0.00 178.44 180.66 2fee h GLN 61 N 0.52 0.00 0.20 1.13 4.20 -1.00 -0.99 115.11 119.17 2fee h GLN 61 Ca 0.04 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.44 2fee h GLN 61 Cb 0.96 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.77 2fee h GLN 61 CO 0.09 0.13 -1.33 -0.97 -0.67 0.00 0.00 178.83 176.07 2fee h ASN 62 N 0.00 0.83 0.02 1.46 -0.73 -0.82 -2.42 115.58 113.92 2fee h ASN 62 Ca -0.00 -0.89 0.02 0.00 1.87 0.00 0.00 56.30 57.30 2fee h ASN 62 Cb 0.45 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 2fee h ASN 62 CO 0.02 1.65 -0.19 1.56 -0.37 0.00 0.00 177.43 180.10 2fee h GLN 63 N 0.14 -0.31 -0.67 6.67 1.08 -0.39 -0.05 115.11 121.58 2fee h GLN 63 Ca -0.22 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2fee h GLN 63 Cb 2.03 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 29.49 2fee h GLN 63 CO 0.25 -0.20 0.45 0.00 -0.95 0.00 0.00 178.83 178.37 2fee h ARG 64 N -0.32 0.59 0.00 1.46 3.08 -1.29 0.27 114.38 118.17 2fee h ARG 64 Ca 0.05 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2fee h ARG 64 Cb 0.38 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2fee h ARG 64 CO -0.16 0.39 -0.30 1.98 -1.07 0.00 0.00 179.97 180.80 2fee h MET 65 N 0.60 0.00 0.01 0.04 4.05 -0.80 -2.93 114.93 115.91 2fee h MET 65 Ca 0.30 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.52 2fee h MET 65 Cb 0.40 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 2fee h MET 65 CO -0.10 0.30 -0.94 0.78 0.23 0.00 0.00 176.91 177.19 2fee h GLY 66 N 1.09 0.06 1.21 1.39 0.00 0.14 -3.18 103.07 103.77 2fee h GLY 66 Ca -0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 47.33 46.93 2fee h GLY 66 CO 0.04 0.11 -1.05 0.00 0.00 0.00 0.00 176.54 175.64 2fee h ALA 67 N 1.03 0.13 0.00 3.60 0.00 -1.30 -2.80 119.26 119.91 2fee h ALA 67 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2fee h ALA 67 Cb 1.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2fee h ALA 67 CO 0.13 0.69 0.02 -0.07 0.00 0.00 0.00 179.25 180.01 2fee h LEU 68 N 0.40 0.00 0.07 0.00 3.38 -1.59 -1.13 115.31 116.44 2fee h LEU 68 Ca -0.13 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.52 2fee h LEU 68 Cb 1.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 2fee h LEU 68 CO 0.21 0.00 -1.76 0.58 0.09 0.00 0.00 178.44 177.56 2fee h VAL 69 N 0.00 0.85 0.00 1.22 2.07 -1.51 -3.02 116.25 115.86 2fee h VAL 69 Ca 0.00 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 64.89 2fee h VAL 69 Cb 0.03 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2fee h VAL 69 CO 0.00 0.71 -0.09 -0.74 0.02 0.00 0.00 177.57 177.47 2fee h HIS 70 N 0.04 0.00 -0.18 1.57 -0.00 -0.98 -2.97 115.15 112.63 2fee h HIS 70 Ca -0.32 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.92 2fee h HIS 70 Cb 2.02 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 29.33 2fee h HIS 70 CO 0.04 0.09 -0.56 0.25 -0.00 0.00 0.00 177.93 177.75 2fee n THR 71 N -3.43 2.29 0.45 6.26 -2.24 -0.66 -4.85 114.28 112.10 2fee n THR 71 Ca -0.01 -3.46 0.08 0.00 -2.27 0.00 0.00 64.05 58.39 2fee n THR 71 Cb 0.25 -0.45 0.35 0.00 -2.10 0.00 0.00 70.33 68.38 2fee n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fee n ALA 72 N -1.03 1.63 -1.13 6.98 0.00 -1.12 -4.14 120.51 121.69 2fee n ALA 72 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2fee n ALA 72 Cb 0.76 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2fee n ALA 72 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2fee n ASP 73 N -1.70 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 114.42 2fee n ASP 73 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 2fee n ASP 73 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2fee n ASP 73 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2fee n ASN 74 N 0.00 0.00 0.02 -1.12 4.05 -1.26 -4.80 115.26 112.15 2fee n ASN 74 Ca 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 2fee n ASN 74 Cb 0.00 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 40.97 2fee n ASN 74 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 2fee h TYR 75 N 0.00 -0.83 -0.22 1.20 3.20 -1.88 -1.73 116.97 116.71 2fee h TYR 75 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2fee h TYR 75 Cb 0.00 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2fee h TYR 75 CO 0.00 -0.39 0.01 -1.35 -1.64 0.00 0.00 178.16 174.80 2fee h PRO 76 N -0.40 0.31 -0.50 1.82 0.11 -1.97 -1.06 132.00 130.31 2fee h PRO 76 Ca 0.08 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 2fee h PRO 76 Cb 0.53 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 2fee h PRO 76 CO -0.31 0.33 -0.05 1.25 -0.21 0.00 0.00 178.00 179.01 2fee h LEU 77 N 0.31 0.86 -0.03 2.35 5.85 -1.77 -0.23 115.31 122.65 2fee h LEU 77 Ca 0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2fee h LEU 77 Cb 0.19 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2fee h LEU 77 CO 0.00 0.95 0.00 0.25 -0.34 0.00 0.00 178.44 179.31 2fee h LEU 78 N 0.80 0.05 -2.00 2.25 6.46 -0.82 -1.33 115.31 120.72 2fee h LEU 78 Ca 0.14 -0.28 0.16 0.00 -0.12 0.00 0.00 57.88 57.78 2fee h LEU 78 Cb 0.55 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 2fee h LEU 78 CO 0.03 0.32 0.39 -0.07 -0.62 0.00 0.00 178.44 178.50 2fee h LEU 79 N -0.22 0.00 0.55 2.25 3.38 -1.06 -0.33 115.31 119.88 2fee h LEU 79 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2fee h LEU 79 Cb 0.29 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2fee h LEU 79 CO 0.00 0.00 -0.26 0.74 0.09 0.00 0.00 178.44 179.01 2fee h THR 80 N 0.00 0.00 -0.39 0.22 2.02 -0.75 -2.91 112.91 111.10 2fee h THR 80 Ca 0.26 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2fee h THR 80 Cb 1.04 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2fee h THR 80 CO -0.00 0.00 0.05 -0.37 0.37 0.00 0.00 175.52 175.57 2fee h VAL 81 N -1.01 1.19 -0.15 3.16 -1.51 -0.71 0.26 116.25 117.49 2fee h VAL 81 Ca -0.08 -0.73 0.05 0.00 -1.23 0.00 0.00 66.70 64.72 2fee h VAL 81 Cb 0.56 0.84 -0.05 0.00 -2.13 0.00 0.00 31.29 30.51 2fee h VAL 81 CO 0.12 0.26 -0.19 0.00 -1.23 0.00 0.00 177.57 176.53 2fee h ALA 82 N 1.50 -0.11 0.38 5.19 0.00 -1.19 -1.40 119.26 123.63 2fee h ALA 82 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2fee h ALA 82 Cb 0.28 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2fee h ALA 82 CO 0.00 -0.63 -0.20 0.35 0.00 0.00 0.00 179.25 178.76 2fee h PHE 83 N -0.23 -0.53 -0.37 0.00 3.04 -1.14 -3.14 116.94 114.58 2fee h PHE 83 Ca 0.11 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 2fee h PHE 83 Cb 0.38 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 2fee h PHE 83 CO -0.31 -0.32 0.00 -0.07 -2.02 0.00 0.00 178.31 175.59 2fee h LEU 84 N -0.54 0.54 -0.09 0.59 3.38 -0.39 0.69 115.31 119.49 2fee h LEU 84 Ca -0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2fee h LEU 84 Cb 0.43 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2fee h LEU 84 CO 0.07 0.61 -0.08 0.00 0.09 0.00 0.00 178.44 179.13 2fee h SER 86 N -0.19 -0.11 -0.08 0.00 0.02 -1.44 -1.12 113.55 110.63 2fee h SER 86 Ca 0.02 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2fee h SER 86 Cb 0.57 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2fee h SER 86 CO 0.02 -0.07 -0.07 0.00 -1.14 0.00 0.00 176.83 175.57 2fee h ALA 87 N 0.85 -0.22 -0.75 3.77 0.00 0.42 -0.77 119.26 122.56 2fee h ALA 87 Ca 0.00 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.09 2fee h ALA 87 Cb 0.10 0.89 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2fee h ALA 87 CO -0.01 -0.27 0.12 0.28 0.00 0.00 0.00 179.25 179.37 2fee h VAL 88 N -0.03 0.43 -0.16 0.00 2.07 -0.58 -0.36 116.25 117.62 2fee h VAL 88 Ca 0.01 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 2fee h VAL 88 Cb 0.06 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2fee h VAL 88 CO -0.09 0.04 -0.39 -0.07 0.02 0.00 0.00 177.57 177.08 2fee h LEU 89 N 0.19 0.62 -0.14 2.57 3.38 -1.07 -1.70 115.31 119.15 2fee h LEU 89 Ca 0.43 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2fee h LEU 89 Cb 0.76 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2fee h LEU 89 CO -0.58 1.08 0.04 0.00 0.09 0.00 0.00 178.44 179.06 2fee h ALA 90 N 0.56 0.15 0.05 1.53 0.00 -0.44 -1.38 119.26 119.74 2fee h ALA 90 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2fee h ALA 90 Cb 0.99 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2fee h ALA 90 CO 0.08 -0.41 -0.50 0.52 0.00 0.00 0.00 179.25 178.94 2fee h MET 91 N 0.10 -0.64 -1.30 0.00 2.86 -1.12 0.14 114.93 114.96 2fee h MET 91 Ca 0.06 0.04 0.38 0.00 -2.06 0.00 0.00 59.70 58.13 2fee h MET 91 Cb 0.05 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 2fee h MET 91 CO -0.07 -0.43 0.91 0.35 1.06 0.00 0.00 176.91 178.72 2fee h PHE 92 N -0.67 0.22 0.00 -0.22 3.04 -0.96 0.23 116.94 118.58 2fee h PHE 92 Ca 0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2fee h PHE 92 Cb 0.70 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 2fee h PHE 92 CO -0.48 -0.02 -0.02 0.78 -2.02 0.00 0.00 178.31 176.55 2fee h GLY 93 N 0.09 0.00 0.31 2.40 0.00 -0.05 -2.93 103.07 102.90 2fee h GLY 93 Ca 0.67 0.00 0.14 0.00 0.00 0.00 0.00 47.33 48.14 2fee h GLY 93 CO -0.13 0.00 0.52 -0.97 0.00 0.00 0.00 176.54 175.96 2fee h TYR 94 N -1.00 0.93 0.00 5.60 -1.99 0.25 -2.55 116.97 118.21 2fee h TYR 94 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2fee h TYR 94 Cb 0.89 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.34 2fee h TYR 94 CO 0.24 0.28 0.00 0.34 -0.00 0.00 0.00 178.16 179.02 2fee n PHE 95 N -4.77 0.00 -0.18 4.88 -0.00 0.72 -1.12 117.46 116.99 2fee n PHE 95 Ca 0.18 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.80 2fee n PHE 95 Cb 0.42 -0.10 0.30 0.00 -0.00 0.00 0.00 39.48 40.10 2fee n PHE 95 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2fee n LEU 96 N -0.87 0.15 0.12 -2.13 7.99 -1.10 -0.22 117.00 120.93 2fee n LEU 96 Ca 0.00 0.76 -0.09 0.00 -0.01 0.00 0.00 56.01 56.67 2fee n LEU 96 Cb 0.00 -0.37 -0.06 0.00 -0.11 0.00 0.00 43.42 42.88 2fee n LEU 96 CO 0.00 -0.85 0.29 0.58 -1.51 0.00 0.00 177.39 175.91 2fee h VAL 97 N 0.00 0.39 -0.66 4.08 2.07 -1.25 -2.50 116.25 118.38 2fee h VAL 97 Ca 0.42 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 67.13 2fee h VAL 97 Cb 1.18 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 2fee h VAL 97 CO -0.33 0.10 0.38 0.03 0.02 0.00 0.00 177.57 177.77 2fee h ARG 98 N -1.01 0.69 0.00 1.57 2.47 0.10 -0.26 114.38 117.94 2fee h ARG 98 Ca -0.04 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.55 2fee h ARG 98 Cb 0.45 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2fee h ARG 98 CO 0.06 0.46 -0.63 -0.22 0.56 0.00 0.00 179.97 180.21 2fee h LYS 99 N 0.71 0.00 0.00 0.04 1.63 -1.06 -3.41 116.57 114.48 2fee h LYS 99 Ca 0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2fee h LYS 99 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2fee h LYS 99 CO -0.15 0.35 -0.20 0.66 -3.45 0.00 0.00 179.45 176.66 2fee n TYR 100 N -3.11 0.00 -2.76 1.91 4.02 -0.94 -5.00 117.16 111.27 2fee n TYR 100 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.86 2fee n TYR 100 Cb 0.71 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.05 2fee n TYR 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fee s ALA 101 N -0.70 -3.26 0.47 -0.72 0.00 -0.15 -4.84 121.76 112.56 2fee s ALA 101 Ca 0.00 0.16 0.16 0.00 0.00 0.00 0.00 51.96 52.29 2fee s ALA 101 Cb 0.00 -2.85 1.14 0.00 0.00 0.00 0.00 23.12 21.41 2fee s ALA 101 CO 0.00 -2.37 2.02 -1.35 0.00 0.00 0.00 175.76 174.05 2fee h PRO 102 N 4.88 0.25 -0.04 0.00 0.11 -1.70 -1.53 132.00 133.96 2fee h PRO 102 Ca 0.03 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.13 2fee h PRO 102 Cb 1.15 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2fee h PRO 102 CO -0.04 0.17 0.03 1.05 -0.21 0.00 0.00 178.00 179.00 2fee h GLU 103 N 0.26 0.00 -0.87 1.05 4.11 -1.95 -2.78 114.58 114.40 2fee h GLU 103 Ca 0.22 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.49 2fee h GLU 103 Cb 0.53 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2fee h GLU 103 CO -0.04 0.00 0.20 0.00 0.07 0.00 0.00 179.01 179.24 2fee n ALA 104 N -2.49 3.87 -1.99 1.06 0.00 -0.58 -4.76 120.51 115.62 2fee n ALA 104 Ca -0.02 -1.47 -0.19 0.00 0.00 0.00 0.00 53.44 51.76 2fee n ALA 104 Cb 0.13 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.43 2fee n ALA 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fee s GLY 105 N -0.44 1.89 0.00 0.00 0.00 -1.05 -4.54 107.32 103.18 2fee s GLY 105 Ca 0.34 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2fee s GLY 105 CO 0.08 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.51 2fee n GLY 106 N -2.09 2.01 0.00 0.20 0.00 -0.59 -4.20 105.19 100.52 2fee n GLY 106 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2fee n GLY 106 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fee n SER 107 N -0.63 0.00 0.00 1.61 2.88 -1.26 -0.91 113.62 115.31 2fee n SER 107 Ca 0.00 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2fee n SER 107 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2fee n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fee n GLY 108 N 0.68 0.79 0.19 0.46 0.00 -1.26 -4.06 105.19 101.99 2fee n GLY 108 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2fee n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2fee h ILE 109 N 0.00 1.32 -0.20 -0.61 2.04 -1.93 -2.69 117.51 115.45 2fee h ILE 109 Ca 0.00 -2.16 -0.19 0.00 1.00 0.00 0.00 64.86 63.51 2fee h ILE 109 Cb 0.00 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2fee h ILE 109 CO 0.00 0.66 -0.64 -0.65 0.00 0.00 0.00 178.15 177.53 2fee h PRO 110 N 0.39 0.70 -0.90 2.37 0.11 -1.94 0.34 132.00 133.08 2fee h PRO 110 Ca -0.07 -0.49 0.22 0.00 0.11 0.00 0.00 66.00 65.77 2fee h PRO 110 Cb 1.48 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.54 2fee h PRO 110 CO 0.16 1.11 0.39 1.49 -0.21 0.00 0.00 178.00 180.94 2fee h GLU 111 N 0.52 0.37 0.13 1.05 4.57 -1.92 0.34 114.58 119.64 2fee h GLU 111 Ca -0.01 -0.02 -0.30 0.00 -1.18 0.00 0.00 59.36 57.85 2fee h GLU 111 Cb 1.23 -0.08 0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2fee h GLU 111 CO 0.13 0.25 -1.26 0.82 -1.18 0.00 0.00 179.01 177.76 2fee h ILE 112 N 0.38 1.32 -0.62 2.32 1.08 -1.06 -2.22 117.51 118.71 2fee h ILE 112 Ca 0.56 -2.57 0.09 0.00 -0.39 0.00 0.00 64.86 62.55 2fee h ILE 112 Cb 1.08 2.76 -0.07 0.00 -3.07 0.00 0.00 36.82 37.52 2fee h ILE 112 CO -0.54 0.78 0.26 -0.08 -0.69 0.00 0.00 178.15 177.88 2fee h GLU 113 N 0.23 0.45 0.39 2.37 4.81 0.35 -1.82 114.58 121.36 2fee h GLU 113 Ca -0.18 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2fee h GLU 113 Cb 1.94 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.22 2fee h GLU 113 CO 0.24 0.30 -0.19 0.78 -0.73 0.00 0.00 179.01 179.41 2fee h GLY 114 N 0.47 -0.55 -0.66 1.92 0.00 -0.35 -2.80 103.07 101.11 2fee h GLY 114 Ca 0.31 0.20 0.36 0.00 0.00 0.00 0.00 47.33 48.20 2fee h GLY 114 CO -0.28 -0.20 0.75 0.00 0.00 0.00 0.00 176.54 176.81 2fee h ALA 115 N 0.07 2.46 -0.05 3.60 0.00 -1.13 0.23 119.26 124.43 2fee h ALA 115 Ca -0.05 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2fee h ALA 115 Cb 0.41 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2fee h ALA 115 CO 0.09 -1.00 -0.53 -0.07 0.00 0.00 0.00 179.25 177.74 2fee h LEU 116 N 0.23 0.15 -0.27 0.00 3.38 -1.07 -2.19 115.31 115.55 2fee h LEU 116 Ca 0.72 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2fee h LEU 116 Cb 2.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2fee h LEU 116 CO -0.39 0.65 0.00 -0.62 0.09 0.00 0.00 178.44 178.18 2fee n GLU 117 N -3.92 1.18 -3.45 1.13 -0.58 0.73 -4.78 120.64 110.95 2fee n GLU 117 Ca -0.02 -0.26 -0.24 0.00 -0.42 0.00 0.00 57.16 56.22 2fee n GLU 117 Cb 0.55 -1.37 0.06 0.00 -0.57 0.00 0.00 31.44 30.11 2fee n GLU 117 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2fee n ASP 118 N -0.57 -6.06 -0.17 1.62 8.00 -0.82 -4.92 116.55 113.62 2fee n ASP 118 Ca 0.17 -0.48 0.02 0.00 0.71 0.00 0.00 54.79 55.21 2fee n ASP 118 Cb 0.14 -4.82 0.03 0.00 -0.02 0.00 0.00 41.12 36.45 2fee n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fee n GLN 119 N -4.63 0.63 -3.81 -1.24 1.13 -0.78 -4.99 117.38 103.68 2fee n GLN 119 Ca -0.03 -1.03 -0.12 0.00 -1.94 0.00 0.00 57.00 53.88 2fee n GLN 119 Cb 0.57 -1.08 -0.09 0.00 0.11 0.00 0.00 30.24 29.75 2fee n GLN 119 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2fee s ARG 120 N -0.53 0.56 0.23 -1.09 1.81 -1.25 -4.85 118.95 113.82 2fee s ARG 120 Ca 0.05 -0.24 -0.20 0.00 -1.72 0.00 0.00 55.73 53.63 2fee s ARG 120 Cb 0.03 0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 34.69 2fee s ARG 120 CO 0.05 -0.14 0.73 -1.25 -0.68 0.00 0.00 175.30 174.01 2fee s PRO 121 N -1.24 4.25 -1.05 3.54 0.04 -1.26 -4.30 135.00 134.97 2fee s PRO 121 Ca -0.13 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 61.75 2fee s PRO 121 Cb -0.06 -2.85 0.31 0.00 0.04 0.00 0.00 34.50 31.95 2fee s PRO 121 CO 0.03 0.37 1.55 0.28 0.04 0.00 0.00 177.00 179.27 2fee n VAL 122 N 0.64 5.46 -2.17 -0.36 0.31 -1.26 -4.96 118.33 115.99 2fee n VAL 122 Ca -0.02 -5.94 -0.31 0.00 -0.01 0.00 0.00 64.34 58.07 2fee n VAL 122 Cb 0.51 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 2fee n VAL 122 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2fee s ARG 123 N -3.19 2.78 -0.03 5.55 0.52 -1.26 -4.74 118.95 118.58 2fee s ARG 123 Ca 0.33 -1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 2fee s ARG 123 Cb 0.09 -5.27 -0.18 0.00 0.52 0.00 0.00 34.95 30.11 2fee s ARG 123 CO 0.05 -3.56 1.05 0.11 0.02 0.00 0.00 175.30 172.97 2fee h TRP 124 N 9.61 -0.17 -1.06 -0.53 5.08 -1.93 -0.83 115.95 126.11 2fee h TRP 124 Ca 0.24 -0.00 0.31 0.00 1.08 0.00 0.00 58.89 60.51 2fee h TRP 124 Cb 0.94 0.06 -0.04 0.00 -3.00 0.00 0.00 29.16 27.11 2fee h TRP 124 CO 1.25 0.28 0.96 -2.67 -1.28 0.00 0.00 178.44 176.97 2fee n TRP 125 N -4.93 0.00 -0.06 0.12 2.14 -1.26 -1.73 117.44 111.72 2fee n TRP 125 Ca -0.08 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.43 2fee n TRP 125 Cb 0.27 -0.27 -0.02 0.00 -0.81 0.00 0.00 31.31 30.48 2fee n TRP 125 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 2fee n ARG 126 N -3.01 0.39 0.32 -2.67 1.74 -0.97 -4.62 116.66 107.84 2fee n ARG 126 Ca 0.24 0.32 -0.17 0.00 -0.77 0.00 0.00 57.85 57.47 2fee n ARG 126 Cb 1.28 -1.37 -0.09 0.00 -1.02 0.00 0.00 32.46 31.26 2fee n ARG 126 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2fee h VAL 127 N -0.79 0.30 -0.34 1.55 2.07 -0.29 -2.00 116.25 116.75 2fee h VAL 127 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2fee h VAL 127 Cb 0.59 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2fee h VAL 127 CO 0.00 0.00 -0.20 0.18 0.02 0.00 0.00 177.57 177.57 2fee n LEU 128 N -5.48 -0.36 0.05 2.57 4.77 -0.88 0.12 117.00 117.78 2fee n LEU 128 Ca -0.12 1.07 -0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2fee n LEU 128 Cb 0.37 -0.31 0.30 0.00 -2.33 0.00 0.00 43.42 41.45 2fee n LEU 128 CO 0.35 -0.73 0.85 1.55 -1.33 0.00 0.00 177.39 178.08 2fee h PRO 129 N 0.00 0.40 0.16 3.23 0.13 -1.78 -2.10 132.00 132.04 2fee h PRO 129 Ca 0.05 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2fee h PRO 129 Cb 0.14 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2fee h PRO 129 CO -0.32 0.53 -0.08 0.28 -0.23 0.00 0.00 178.00 178.19 2fee h VAL 130 N 0.37 0.86 -0.48 1.56 2.07 0.09 -2.63 116.25 118.09 2fee h VAL 130 Ca 0.07 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2fee h VAL 130 Cb 0.46 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2fee h VAL 130 CO 0.03 0.22 0.25 0.50 0.02 0.00 0.00 177.57 178.59 2fee h LYS 131 N -0.85 0.68 0.00 1.57 1.63 0.85 0.82 116.57 121.27 2fee h LYS 131 Ca -0.02 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2fee h LYS 131 Cb 0.53 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2fee h LYS 131 CO 0.04 0.55 0.00 0.34 -3.45 0.00 0.00 179.45 176.92 2fee n PHE 132 N -4.65 0.00 0.24 1.91 -0.00 -0.79 0.16 117.46 114.33 2fee n PHE 132 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.57 2fee n PHE 132 Cb 0.09 -0.37 0.62 0.00 -0.00 0.00 0.00 39.48 39.83 2fee n PHE 132 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2fee h PHE 133 N 0.00 0.00 -0.04 -5.13 0.04 -1.50 0.13 116.94 110.44 2fee h PHE 133 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2fee h PHE 133 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2fee h PHE 133 CO -0.12 0.17 -0.01 0.78 -0.60 0.00 0.00 178.31 178.54 2fee h GLY 134 N 1.11 0.08 0.62 -1.45 0.00 0.74 -2.45 103.07 101.72 2fee h GLY 134 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2fee h GLY 134 CO 0.02 0.06 -0.00 -1.33 0.00 0.00 0.00 176.54 175.29 2fee h GLY 135 N -0.25 0.01 -1.37 4.60 0.00 0.18 -2.12 103.07 104.12 2fee h GLY 135 Ca 0.01 -0.01 0.45 0.00 0.00 0.00 0.00 47.33 47.79 2fee h GLY 135 CO 0.00 0.01 0.91 -0.10 0.00 0.00 0.00 176.54 177.36 2fee n LEU 136 N -4.90 0.15 -0.03 3.11 7.94 0.42 0.28 117.00 123.97 2fee n LEU 136 Ca -0.08 1.19 -0.11 0.00 -1.11 0.00 0.00 56.01 55.89 2fee n LEU 136 Cb 0.21 -0.58 -0.09 0.00 0.53 0.00 0.00 43.42 43.48 2fee n LEU 136 CO 0.34 -1.27 0.38 1.23 -1.11 0.00 0.00 177.39 176.95 2fee h GLY 137 N 0.00 -0.06 1.20 -3.96 0.00 -0.90 -2.71 103.07 96.65 2fee h GLY 137 Ca 0.81 0.02 -0.25 0.00 0.00 0.00 0.00 47.33 47.92 2fee h GLY 137 CO -0.34 -0.02 -0.94 -0.91 0.00 0.00 0.00 176.54 174.33 2fee h THR 138 N -0.89 1.28 -0.02 4.70 1.35 -0.07 -2.68 112.91 116.57 2fee h THR 138 Ca -0.01 -2.13 -0.11 0.00 -0.55 0.00 0.00 66.41 63.61 2fee h THR 138 Cb 0.67 2.21 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 2fee h THR 138 CO 0.01 0.67 -0.41 -0.07 -0.25 0.00 0.00 175.52 175.47 2fee h LEU 139 N 0.46 0.40 -0.61 3.87 -0.00 -0.37 -2.19 115.31 116.86 2fee h LEU 139 Ca -0.10 -0.73 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 2fee h LEU 139 Cb 1.58 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.12 2fee h LEU 139 CO 0.19 1.07 0.00 0.61 -0.00 0.00 0.00 178.44 180.31 2fee n GLY 140 N 0.94 -0.79 0.79 0.83 0.00 -1.02 -0.22 105.19 105.72 2fee n GLY 140 Ca -0.09 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2fee n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 141 N -1.05 0.65 1.46 -0.02 0.00 -1.01 -3.36 105.19 101.86 2fee n GLY 141 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2fee n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 142 N 1.33 0.71 3.79 -0.02 0.00 0.69 -3.93 105.19 107.75 2fee n GLY 142 Ca 0.14 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2fee n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fee s MET 143 N -2.52 2.76 -0.93 1.61 -1.94 -0.83 -2.71 119.30 114.73 2fee s MET 143 Ca 0.00 1.18 -0.08 0.00 -1.71 0.00 0.00 55.69 55.08 2fee s MET 143 Cb 0.00 -1.96 -0.15 0.00 2.01 0.00 0.00 34.83 34.73 2fee s MET 143 CO 0.00 -1.26 3.12 0.28 -0.01 0.00 0.00 175.02 177.15 2fee n VAL 144 N -2.86 3.62 -4.25 -6.03 0.31 -1.26 -4.20 118.33 103.65 2fee n VAL 144 Ca 0.09 -2.04 -0.18 0.00 -0.01 0.00 0.00 64.34 62.20 2fee n VAL 144 Cb 0.53 -2.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.02 2fee n VAL 144 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2fee s LEU 145 N 0.10 2.42 0.00 7.52 1.43 -1.26 -4.73 118.68 124.16 2fee s LEU 145 Ca 0.66 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2fee s LEU 145 Cb 0.22 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.89 2fee s LEU 145 CO -0.03 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2fee n GLY 146 N 0.41 -0.17 0.00 -3.19 0.00 -0.28 -4.62 105.19 97.34 2fee n GLY 146 Ca -0.14 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.14 2fee n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fee n ARG 147 N -0.88 1.91 0.05 1.61 1.74 -1.26 -3.66 116.66 116.18 2fee n ARG 147 Ca 0.00 -0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 2fee n ARG 147 Cb 0.00 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 2fee n ARG 147 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2fee h GLU 148 N 0.00 -0.11 0.00 5.56 3.07 -1.90 0.18 114.58 121.38 2fee h GLU 148 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2fee h GLU 148 Cb 0.41 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2fee h GLU 148 CO 0.00 -0.07 0.00 0.41 -1.40 0.00 0.00 179.01 177.95 2fee n GLY 149 N -1.18 -3.01 0.25 -3.84 0.00 -1.26 0.66 105.19 96.81 2fee n GLY 149 Ca -0.06 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.59 2fee n GLY 149 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fee h PRO 150 N 0.00 -0.02 0.00 1.61 0.11 -1.67 -2.47 132.00 129.57 2fee h PRO 150 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2fee h PRO 150 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2fee h PRO 150 CO 0.00 -0.01 -0.50 1.79 -0.21 0.00 0.00 178.00 179.07 2fee h THR 151 N -0.02 1.07 0.11 -1.15 1.35 -0.16 0.25 112.91 114.36 2fee h THR 151 Ca 0.29 -1.92 -0.01 0.00 -0.55 0.00 0.00 66.41 64.23 2fee h THR 151 Cb 0.46 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2fee h THR 151 CO -0.64 0.49 -0.05 0.58 -0.25 0.00 0.00 175.52 175.65 2fee h VAL 152 N 0.00 1.10 0.93 6.82 2.07 0.68 0.25 116.25 128.10 2fee h VAL 152 Ca -0.00 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2fee h VAL 152 Cb 1.09 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2fee h VAL 152 CO 0.06 0.22 -0.45 -0.61 0.02 0.00 0.00 177.57 176.82 2fee h GLN 153 N -0.61 -1.21 -1.00 1.57 4.15 -1.51 0.20 115.11 116.72 2fee h GLN 153 Ca -0.02 0.08 0.36 0.00 0.77 0.00 0.00 58.65 59.85 2fee h GLN 153 Cb 0.48 0.27 -0.16 0.00 0.21 0.00 0.00 27.48 28.28 2fee h GLN 153 CO 0.02 -0.80 0.54 0.82 -1.93 0.00 0.00 178.83 177.49 2fee h ILE 154 N -1.31 0.18 -0.26 2.39 2.04 -0.56 0.19 117.51 120.18 2fee h ILE 154 Ca -0.13 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2fee h ILE 154 Cb 0.96 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2fee h ILE 154 CO 0.21 0.03 0.07 1.23 0.00 0.00 0.00 178.15 179.69 2fee h GLY 155 N 0.19 0.44 1.00 5.37 0.00 0.05 -1.79 103.07 108.33 2fee h GLY 155 Ca 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2fee h GLY 155 CO -0.68 0.26 0.25 -1.33 0.00 0.00 0.00 176.54 175.04 2fee h GLY 156 N 0.25 0.53 1.07 4.60 0.00 0.14 -2.12 103.07 107.54 2fee h GLY 156 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2fee h GLY 156 CO 0.00 0.19 0.45 3.43 0.00 0.00 0.00 176.54 180.61 2fee h ASN 157 N 0.51 1.09 -0.70 0.19 4.21 -1.23 0.60 115.58 120.25 2fee h ASN 157 Ca 0.14 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2fee h ASN 157 Cb -0.06 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 36.83 2fee h ASN 157 CO -0.03 0.89 0.45 0.40 -1.29 0.00 0.00 177.43 177.84 2fee h ILE 158 N 1.21 1.19 -0.26 2.81 1.08 -1.11 0.83 117.51 123.25 2fee h ILE 158 Ca 0.30 -0.36 -0.13 0.00 -0.39 0.00 0.00 64.86 64.28 2fee h ILE 158 Cb 0.06 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 2fee h ILE 158 CO -0.05 0.18 -0.37 1.23 -0.69 0.00 0.00 178.15 178.46 2fee h GLY 159 N 0.97 0.63 0.57 5.37 0.00 -0.65 -2.05 103.07 107.90 2fee h GLY 159 Ca 0.26 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2fee h GLY 159 CO -0.05 0.55 -0.02 -0.09 0.00 0.00 0.00 176.54 176.93 2fee h ARG 160 N 0.49 0.06 -0.69 4.80 9.65 0.16 -2.73 114.38 126.12 2fee h ARG 160 Ca 0.05 -0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.02 2fee h ARG 160 Cb 0.86 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.35 2fee h ARG 160 CO 0.07 0.51 0.24 1.98 2.80 0.00 0.00 179.97 185.57 2fee h MET 161 N -0.40 0.38 0.00 0.20 4.05 0.73 0.89 114.93 120.79 2fee h MET 161 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2fee h MET 161 Cb 0.50 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2fee h MET 161 CO 0.01 0.25 0.00 -0.39 0.23 0.00 0.00 176.91 177.01 2fee h VAL 162 N 0.39 0.00 -0.03 -5.77 -1.51 -1.44 0.17 116.25 108.06 2fee h VAL 162 Ca 0.37 -0.56 -0.20 0.00 -1.23 0.00 0.00 66.70 65.08 2fee h VAL 162 Cb 0.53 1.54 0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2fee h VAL 162 CO -0.38 0.00 -0.76 0.25 -1.23 0.00 0.00 177.57 175.45 2fee h LEU 163 N 0.00 0.71 0.00 4.19 5.85 -0.83 -2.88 115.31 122.35 2fee h LEU 163 Ca 0.00 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.00 2fee h LEU 163 Cb 0.75 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2fee h LEU 163 CO 0.00 1.34 0.00 0.47 -0.34 0.00 0.00 178.44 179.91 2fee n ASP 164 N -4.07 0.00 -0.47 1.25 10.43 0.16 -0.86 116.55 122.99 2fee n ASP 164 Ca -0.10 0.72 0.37 0.00 2.57 0.00 0.00 54.79 58.35 2fee n ASP 164 Cb 0.74 -0.38 0.59 0.00 1.84 0.00 0.00 41.12 43.91 2fee n ASP 164 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2fee n ILE 165 N -1.63 -0.08 0.68 0.53 5.41 0.57 0.18 119.36 125.02 2fee n ILE 165 Ca 0.00 1.25 0.09 0.00 1.00 0.00 0.00 62.75 65.09 2fee n ILE 165 Cb 0.00 -2.06 0.08 0.00 -0.71 0.00 0.00 39.64 36.95 2fee n ILE 165 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2fee n PHE 166 N -3.79 0.05 -3.16 1.39 3.72 -1.09 -4.99 117.46 109.59 2fee n PHE 166 Ca 0.33 -0.03 -0.23 0.00 -0.05 0.00 0.00 57.45 57.47 2fee n PHE 166 Cb 1.42 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.97 2fee n PHE 166 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2fee n ARG 167 N 1.01 -4.27 -2.38 -1.08 5.12 0.49 -4.91 116.66 110.64 2fee n ARG 167 Ca 0.11 0.73 -0.41 0.00 -1.93 0.00 0.00 57.85 56.34 2fee n ARG 167 Cb 0.45 -5.52 -0.04 0.00 -1.16 0.00 0.00 32.46 26.19 2fee n ARG 167 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2fee s LEU 168 N -6.60 4.46 0.04 0.55 1.43 -0.41 -5.01 118.68 113.15 2fee s LEU 168 Ca 0.34 2.25 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 2fee s LEU 168 Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2fee s LEU 168 CO 0.42 -0.34 -0.08 -0.75 0.23 0.00 0.00 176.35 175.83 2fee s LYS 169 N -0.45 2.39 0.00 1.70 2.20 -1.26 -4.89 119.74 119.42 2fee s LYS 169 Ca 0.51 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 2fee s LYS 169 Cb -0.33 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2fee s LYS 169 CO 0.38 0.56 0.00 0.41 -0.36 0.00 0.00 175.35 176.34 2fee n GLY 170 N 1.23 3.33 0.28 5.54 0.00 -1.26 -4.62 105.19 109.70 2fee n GLY 170 Ca -0.14 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 2fee n GLY 170 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2fee h ASP 171 N 0.00 1.01 0.00 1.61 3.45 -1.97 -3.05 116.42 117.47 2fee h ASP 171 Ca 0.00 -0.39 0.00 0.00 0.43 0.00 0.00 57.03 57.07 2fee h ASP 171 Cb 0.00 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.49 2fee h ASP 171 CO 0.00 1.18 0.00 1.21 -1.57 0.00 0.00 179.24 180.06 2fee n GLU 172 N -4.13 0.00 0.16 3.56 2.13 -1.26 -1.01 120.64 120.09 2fee n GLU 172 Ca 0.00 0.64 0.07 0.00 0.66 0.00 0.00 57.16 58.53 2fee n GLU 172 Cb 0.45 -1.46 0.40 0.00 0.27 0.00 0.00 31.44 31.10 2fee n GLU 172 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fee n ALA 173 N -2.22 0.70 -0.08 4.31 0.00 -1.24 0.06 120.51 122.03 2fee n ALA 173 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 2fee n ALA 173 Cb 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 2fee n ALA 173 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fee n ARG 174 N -2.08 0.68 0.00 0.00 0.63 -1.03 -3.39 116.66 111.47 2fee n ARG 174 Ca -0.01 0.15 -0.18 0.00 -0.92 0.00 0.00 57.85 56.89 2fee n ARG 174 Cb 0.27 -1.60 -0.13 0.00 0.45 0.00 0.00 32.46 31.45 2fee n ARG 174 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2fee h HIS 175 N 0.01 0.38 0.55 -0.14 3.86 0.54 -3.26 115.15 117.09 2fee h HIS 175 Ca -0.49 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 58.43 2fee h HIS 175 Cb 2.05 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 30.50 2fee h HIS 175 CO 0.02 1.16 -0.26 1.15 0.86 0.00 0.00 177.93 180.86 2fee h THR 176 N -0.50 0.00 0.00 2.45 2.02 -0.58 0.34 112.91 116.64 2fee h THR 176 Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2fee h THR 176 Cb 1.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2fee h THR 176 CO 0.10 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.17 2fee n LEU 177 N -4.02 0.42 0.10 2.58 4.77 -1.22 -0.49 117.00 119.14 2fee n LEU 177 Ca -0.09 0.66 -0.23 0.00 -0.03 0.00 0.00 56.01 56.32 2fee n LEU 177 Cb 0.29 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 2fee n LEU 177 CO 0.22 -0.68 -0.22 0.25 -1.33 0.00 0.00 177.39 175.63 2fee h LEU 178 N 0.00 0.67 -0.18 2.23 5.85 -1.57 -3.08 115.31 119.22 2fee h LEU 178 Ca 0.00 -0.93 -0.15 0.00 0.84 0.00 0.00 57.88 57.64 2fee h LEU 178 Cb 0.13 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2fee h LEU 178 CO 0.00 1.63 -0.47 0.00 -0.34 0.00 0.00 178.44 179.26 2fee h ALA 179 N 0.11 0.30 -0.57 1.25 0.00 0.14 -2.50 119.26 117.99 2fee h ALA 179 Ca -0.24 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 2fee h ALA 179 Cb 1.98 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2fee h ALA 179 CO 0.21 0.46 0.13 1.79 0.00 0.00 0.00 179.25 181.84 2fee h THR 180 N 0.32 1.23 -0.81 0.00 1.35 -0.96 -0.16 112.91 113.89 2fee h THR 180 Ca -0.01 -0.86 0.03 0.00 -0.55 0.00 0.00 66.41 65.02 2fee h THR 180 Cb 1.09 0.66 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 2fee h THR 180 CO 0.10 0.32 0.52 1.23 -0.25 0.00 0.00 175.52 177.44 2fee h GLY 181 N 0.99 1.17 0.94 5.82 0.00 -1.58 -0.49 103.07 109.92 2fee h GLY 181 Ca 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2fee h GLY 181 CO 0.00 0.35 0.15 0.00 0.00 0.00 0.00 176.54 177.05 2fee h ALA 182 N 1.33 0.47 0.67 3.60 0.00 -0.87 -2.01 119.26 122.46 2fee h ALA 182 Ca 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2fee h ALA 182 Cb -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2fee h ALA 182 CO -0.10 0.06 -0.32 0.00 0.00 0.00 0.00 179.25 178.89 2fee h ALA 183 N 1.00 -0.91 -1.45 0.00 0.00 -0.91 -2.50 119.26 114.49 2fee h ALA 183 Ca 0.12 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 55.26 2fee h ALA 183 Cb 0.17 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2fee h ALA 183 CO -0.01 -0.85 1.15 0.00 0.00 0.00 0.00 179.25 179.54 2fee h ALA 184 N -1.26 3.36 -0.28 0.00 0.00 -1.13 0.48 119.26 120.43 2fee h ALA 184 Ca -0.09 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2fee h ALA 184 Cb 0.69 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2fee h ALA 184 CO 0.15 -1.90 -0.51 0.78 0.00 0.00 0.00 179.25 177.78 2fee h GLY 185 N 0.00 0.91 0.43 0.00 0.00 -0.95 -0.10 103.07 103.36 2fee h GLY 185 Ca 0.69 -1.06 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2fee h GLY 185 CO -0.01 0.95 -0.22 -2.00 0.00 0.00 0.00 176.54 175.27 2fee h LEU 186 N 0.60 0.20 -0.37 3.11 5.85 0.23 -3.06 115.31 121.87 2fee h LEU 186 Ca 0.02 -0.77 0.08 0.00 0.84 0.00 0.00 57.88 58.04 2fee h LEU 186 Cb 1.11 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2fee h LEU 186 CO 0.11 0.94 -0.26 0.00 -0.34 0.00 0.00 178.44 178.89 2fee h ALA 187 N 0.26 -0.06 0.00 1.25 0.00 -0.80 -0.58 119.26 119.32 2fee h ALA 187 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fee h ALA 187 Cb 0.97 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2fee h ALA 187 CO 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.64 2fee n ALA 188 N -2.92 1.58 0.27 0.00 0.00 -0.05 0.27 120.51 119.66 2fee n ALA 188 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.61 2fee n ALA 188 Cb 0.31 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.47 2fee n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee n ALA 189 N -1.67 2.79 -0.35 0.00 0.00 -0.28 -4.31 120.51 116.68 2fee n ALA 189 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2fee n ALA 189 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2fee n ALA 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2fee n PHE 190 N -2.40 0.00 -3.24 0.00 0.99 -0.86 -4.90 117.46 107.04 2fee n PHE 190 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 2fee n PHE 190 Cb 0.51 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 39.02 2fee n PHE 190 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2fee n ASN 191 N -0.09 -5.62 -3.64 4.37 2.85 0.14 -4.94 115.26 108.33 2fee n ASN 191 Ca 0.00 -0.38 -0.27 0.00 -0.11 0.00 0.00 54.58 53.81 2fee n ASN 191 Cb 0.09 -4.53 -0.10 0.00 1.24 0.00 0.00 39.78 36.48 2fee n ASN 191 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2fee n ALA 192 N -3.86 3.60 -0.27 5.20 0.00 -0.83 -4.98 120.51 119.37 2fee n ALA 192 Ca -0.06 -4.49 -0.12 0.00 0.00 0.00 0.00 53.44 48.77 2fee n ALA 192 Cb 0.59 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 2fee n ALA 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2fee h PRO 193 N 4.84 -0.20 -0.59 0.00 0.11 -1.93 -1.29 132.00 132.95 2fee h PRO 193 Ca 0.17 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2fee h PRO 193 Cb 0.73 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 2fee h PRO 193 CO 0.73 -0.13 0.28 -0.07 -0.21 0.00 0.00 178.00 178.60 2fee h LEU 194 N -0.21 0.75 -0.67 2.35 3.38 -1.93 -1.52 115.31 117.45 2fee h LEU 194 Ca 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2fee h LEU 194 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2fee h LEU 194 CO -0.76 0.64 0.40 0.00 0.09 0.00 0.00 178.44 178.81 2fee h ALA 195 N 1.48 0.86 0.07 1.53 0.00 -1.55 0.98 119.26 122.63 2fee h ALA 195 Ca 0.21 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2fee h ALA 195 Cb 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2fee h ALA 195 CO -0.03 0.34 -0.41 0.78 0.00 0.00 0.00 179.25 179.93 2fee h GLY 196 N 0.91 -0.81 0.86 0.00 0.00 -0.24 -0.73 103.07 103.07 2fee h GLY 196 Ca 0.24 0.50 0.02 0.00 0.00 0.00 0.00 47.33 48.08 2fee h GLY 196 CO -0.04 -0.26 0.03 -2.22 0.00 0.00 0.00 176.54 174.05 2fee h ILE 197 N -0.62 0.95 -0.15 2.60 2.04 -1.12 -2.81 117.51 118.40 2fee h ILE 197 Ca 0.03 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2fee h ILE 197 Cb 0.66 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2fee h ILE 197 CO -0.27 0.02 -0.04 -0.07 0.00 0.00 0.00 178.15 177.79 2fee h LEU 198 N 0.09 0.20 0.23 1.44 -0.00 -0.72 -2.62 115.31 113.93 2fee h LEU 198 Ca 0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2fee h LEU 198 Cb 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2fee h LEU 198 CO -0.07 0.28 -0.11 0.15 -0.00 0.00 0.00 178.44 178.69 2fee h PHE 199 N 0.22 -0.28 0.02 1.13 3.57 -0.87 -2.79 116.94 117.94 2fee h PHE 199 Ca 0.05 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2fee h PHE 199 Cb 0.21 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2fee h PHE 199 CO 0.00 -0.11 -0.40 0.82 -2.23 0.00 0.00 178.31 176.39 2fee h ILE 200 N -0.39 0.00 -0.28 1.41 5.03 -1.33 -0.11 117.51 121.83 2fee h ILE 200 Ca -0.03 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.52 2fee h ILE 200 Cb 0.30 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.01 2fee h ILE 200 CO 0.05 0.00 0.22 2.30 -0.68 0.00 0.00 178.15 180.04 2fee n ILE 201 N -4.71 2.48 0.00 -0.67 -5.35 -1.01 -1.00 119.36 109.10 2fee n ILE 201 Ca -0.06 -1.22 0.00 0.00 -0.27 0.00 0.00 62.75 61.21 2fee n ILE 201 Cb 0.30 -1.44 0.00 0.00 -1.74 0.00 0.00 39.64 36.76 2fee n ILE 201 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2fee n GLU 202 N 0.91 0.20 0.00 6.28 2.13 -1.06 -4.97 120.64 124.14 2fee n GLU 202 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2fee n GLU 202 Cb 0.56 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.25 2fee n GLU 202 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2fee n GLU 203 N -0.06 0.00 0.06 5.31 4.07 -0.12 -4.95 120.64 124.96 2fee n GLU 203 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 2fee n GLU 203 Cb 0.00 -0.14 -0.09 0.00 -0.06 0.00 0.00 31.44 31.16 2fee n GLU 203 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 2fee h MET 204 N 0.00 -0.19 -6.72 5.31 2.86 -0.53 -3.46 114.93 112.20 2fee h MET 204 Ca 0.00 0.01 -0.57 0.00 -2.06 0.00 0.00 59.70 57.08 2fee h MET 204 Cb 0.00 0.04 0.13 0.00 0.06 0.00 0.00 31.60 31.84 2fee h MET 204 CO 0.00 0.20 0.24 2.89 1.06 0.00 0.00 176.91 181.31 2fee n ARG 205 N -4.98 1.43 -1.07 1.72 1.85 -0.18 -4.75 116.66 110.68 2fee n ARG 205 Ca -0.09 0.51 -0.47 0.00 -1.00 0.00 0.00 57.85 56.81 2fee n ARG 205 Cb 0.25 -2.15 -0.08 0.00 -1.05 0.00 0.00 32.46 29.42 2fee n ARG 205 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2fee n PRO 206 N -0.08 0.00 0.12 2.89 -0.02 -1.26 -4.82 135.00 131.83 2fee n PRO 206 Ca 0.09 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2fee n PRO 206 Cb 0.41 -1.10 0.27 0.00 -0.02 0.00 0.00 33.50 33.05 2fee n PRO 206 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2fee h GLN 207 N 5.42 0.00 0.00 -0.52 5.75 -1.90 -3.37 115.11 120.49 2fee h GLN 207 Ca -0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2fee h GLN 207 Cb 1.03 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.58 2fee h GLN 207 CO 0.77 0.00 -1.03 1.19 -2.65 0.00 0.00 178.83 177.11 2fee n PHE 208 N -2.45 0.00 -4.26 3.99 3.01 -1.26 -5.02 117.46 111.47 2fee n PHE 208 Ca 0.04 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 2fee n PHE 208 Cb 0.46 -0.05 -0.11 0.00 -0.01 0.00 0.00 39.48 39.77 2fee n PHE 208 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 2fee s ARG 209 N -2.08 1.08 0.58 -1.08 1.70 -1.26 -5.13 118.95 112.76 2fee s ARG 209 Ca -0.01 -1.25 -0.19 0.00 -0.47 0.00 0.00 55.73 53.82 2fee s ARG 209 Cb 0.01 -1.06 -0.06 0.00 -0.57 0.00 0.00 34.95 33.27 2fee s ARG 209 CO 0.09 0.22 0.85 0.98 -1.08 0.00 0.00 175.30 176.36 2fee n TYR 210 N 0.61 0.44 -4.17 5.89 9.36 -1.26 -4.81 117.16 123.21 2fee n TYR 210 Ca -0.16 0.44 -0.12 0.00 3.32 0.00 0.00 57.90 61.39 2fee n TYR 210 Cb 0.56 -2.09 -0.09 0.00 -0.63 0.00 0.00 39.34 37.09 2fee n TYR 210 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2fee s THR 211 N -1.56 0.00 -0.59 2.97 2.01 -1.26 -5.07 115.64 112.14 2fee s THR 211 Ca 0.73 -1.92 0.02 0.00 0.31 0.00 0.00 61.69 60.83 2fee s THR 211 Cb -0.43 -2.46 0.41 0.00 0.01 0.00 0.00 72.50 70.02 2fee s THR 211 CO 0.49 0.00 1.58 0.18 -0.69 0.00 0.00 174.62 176.18 2fee n LEU 212 N -0.29 6.17 -4.57 4.42 4.32 -1.26 -4.98 117.00 120.80 2fee n LEU 212 Ca 0.02 -4.87 -0.43 0.00 -0.02 0.00 0.00 56.01 50.71 2fee n LEU 212 Cb 0.65 -0.73 -0.05 0.00 -1.62 0.00 0.00 43.42 41.68 2fee n LEU 212 CO 0.32 1.94 0.67 -0.63 -1.22 0.00 0.00 177.39 178.46 2fee s ILE 213 N -5.13 4.60 -0.33 -0.08 1.01 -1.26 -4.39 121.20 115.62 2fee s ILE 213 Ca 0.52 0.82 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 2fee s ILE 213 Cb 0.43 -4.33 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 2fee s ILE 213 CO -0.20 -0.64 1.41 -0.55 0.00 0.00 0.00 174.94 174.96 2fee s SER 214 N 2.05 6.47 0.15 3.58 0.15 -1.26 -4.91 113.70 119.93 2fee s SER 214 Ca 0.34 1.15 -0.12 0.00 0.70 0.00 0.00 55.95 58.02 2fee s SER 214 Cb -0.12 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2fee s SER 214 CO 0.21 -1.26 1.61 0.40 1.20 0.00 0.00 173.24 175.41 2fee h ILE 215 N 6.20 1.26 -0.70 6.45 2.04 -1.99 -2.17 117.51 128.60 2fee h ILE 215 Ca -0.28 -1.03 0.14 0.00 1.00 0.00 0.00 64.86 64.69 2fee h ILE 215 Cb 1.11 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2fee h ILE 215 CO 1.05 0.36 0.47 0.50 0.00 0.00 0.00 178.15 180.53 2fee h LYS 216 N 0.72 0.34 -0.01 2.37 3.64 -2.00 -1.53 116.57 120.09 2fee h LYS 216 Ca 0.14 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.24 2fee h LYS 216 Cb 0.48 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2fee h LYS 216 CO 0.02 0.22 -1.01 0.00 -2.27 0.00 0.00 179.45 176.41 2fee h ALA 217 N 1.67 0.18 -0.31 5.00 0.00 -1.84 -2.92 119.26 121.04 2fee h ALA 217 Ca 0.34 -0.70 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2fee h ALA 217 Cb 0.83 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2fee h ALA 217 CO -0.09 0.71 -0.14 0.28 0.00 0.00 0.00 179.25 180.00 2fee h VAL 218 N 0.37 0.55 0.00 0.00 2.07 -0.77 -2.27 116.25 116.21 2fee h VAL 218 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2fee h VAL 218 Cb 1.66 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2fee h VAL 218 CO 0.20 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.28 2fee n PHE 219 N -5.32 0.00 -0.32 1.57 3.01 -0.64 -1.59 117.46 114.17 2fee n PHE 219 Ca 0.00 0.00 0.30 0.00 1.01 0.00 0.00 57.45 58.76 2fee n PHE 219 Cb 0.23 -0.31 0.56 0.00 -0.01 0.00 0.00 39.48 39.95 2fee n PHE 219 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2fee h ILE 220 N 0.00 0.04 0.64 4.37 2.04 -1.44 0.37 117.51 123.53 2fee h ILE 220 Ca 0.00 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2fee h ILE 220 Cb 0.00 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2fee h ILE 220 CO 0.00 0.01 -0.43 1.23 0.00 0.00 0.00 178.15 178.96 2fee h GLY 221 N 0.04 -1.21 0.47 5.37 0.00 -0.81 -1.82 103.07 105.11 2fee h GLY 221 Ca 0.82 0.51 0.10 0.00 0.00 0.00 0.00 47.33 48.75 2fee h GLY 221 CO -0.76 -0.40 0.37 -2.08 0.00 0.00 0.00 176.54 173.67 2fee h VAL 222 N -1.02 0.85 0.02 4.60 2.07 0.57 -2.00 116.25 121.34 2fee h VAL 222 Ca -0.09 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2fee h VAL 222 Cb 0.83 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2fee h VAL 222 CO 0.06 0.11 -0.28 0.40 0.02 0.00 0.00 177.57 177.89 2fee h ILE 223 N 0.63 0.38 -0.28 4.57 2.04 -0.45 0.41 117.51 124.81 2fee h ILE 223 Ca 0.36 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.29 2fee h ILE 223 Cb 0.38 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2fee h ILE 223 CO -0.27 0.00 -0.18 0.24 0.00 0.00 0.00 178.15 177.94 2fee h MET 224 N -0.44 -0.15 0.00 2.37 2.86 -0.64 -0.10 114.93 118.83 2fee h MET 224 Ca 0.06 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2fee h MET 224 Cb 0.51 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2fee h MET 224 CO -0.23 -0.10 -0.38 0.66 1.06 0.00 0.00 176.91 177.92 2fee h SER 225 N -0.16 0.00 -0.07 1.22 4.64 -1.02 0.20 113.55 118.37 2fee h SER 225 Ca 0.15 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2fee h SER 225 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2fee h SER 225 CO -0.38 0.38 -0.14 0.74 -0.87 0.00 0.00 176.83 176.56 2fee h THR 226 N 0.00 1.42 -0.67 2.95 2.02 -0.36 -1.15 112.91 117.12 2fee h THR 226 Ca -0.00 -1.45 0.12 0.00 0.77 0.00 0.00 66.41 65.84 2fee h THR 226 Cb 0.80 2.21 -0.08 0.00 -1.74 0.00 0.00 68.15 69.33 2fee h THR 226 CO 0.05 0.41 0.24 0.40 0.37 0.00 0.00 175.52 176.99 2fee h ILE 227 N -0.28 0.70 -0.37 3.11 2.04 -0.55 0.27 117.51 122.44 2fee h ILE 227 Ca 0.00 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2fee h ILE 227 Cb 0.73 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2fee h ILE 227 CO 0.03 0.07 0.18 0.24 0.00 0.00 0.00 178.15 178.67 2fee h MET 228 N 0.40 0.36 -0.75 2.37 2.86 -0.56 -1.16 114.93 118.46 2fee h MET 228 Ca 0.35 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.94 2fee h MET 228 Cb 0.49 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 2fee h MET 228 CO -0.36 0.24 0.35 -0.92 1.06 0.00 0.00 176.91 177.27 2fee h TYR 229 N 0.37 1.09 0.00 -0.22 3.20 -0.08 -2.74 116.97 118.59 2fee h TYR 229 Ca 0.16 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2fee h TYR 229 Cb 0.07 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2fee h TYR 229 CO -0.10 0.81 -0.38 0.00 -1.64 0.00 0.00 178.16 176.85 2fee h ARG 230 N 1.05 0.00 -0.97 1.82 2.47 -0.15 -1.12 114.38 117.48 2fee h ARG 230 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2fee h ARG 230 Cb 0.14 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 2fee h ARG 230 CO -0.03 0.38 0.62 0.82 0.56 0.00 0.00 179.97 182.32 2fee h ILE 231 N 0.00 1.26 0.00 2.04 1.08 -0.90 -1.35 117.51 119.63 2fee h ILE 231 Ca -0.00 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2fee h ILE 231 Cb 0.69 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2fee h ILE 231 CO 0.05 0.26 -0.82 0.49 -0.69 0.00 0.00 178.15 177.44 2fee n PHE 232 N -4.37 0.00 -0.57 1.37 3.01 -1.14 -4.53 117.46 111.23 2fee n PHE 232 Ca 0.11 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.58 2fee n PHE 232 Cb 0.03 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 2fee n PHE 232 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2fee n ASN 233 N -1.42 1.31 -3.39 4.37 3.02 -0.44 -5.08 115.26 113.63 2fee n ASN 233 Ca 0.02 -1.84 -0.34 0.00 -0.03 0.00 0.00 54.58 52.40 2fee n ASN 233 Cb 0.26 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 2fee n ASN 233 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fee n HIS 234 N -0.43 -1.33 -3.17 3.10 1.44 -0.51 -3.54 115.22 110.78 2fee n HIS 234 Ca 0.02 0.56 -0.23 0.00 -2.01 0.00 0.00 57.72 56.06 2fee n HIS 234 Cb 0.40 -1.43 0.04 0.00 0.12 0.00 0.00 29.99 29.12 2fee n HIS 234 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2fee n GLU 235 N 0.98 -5.19 -3.65 -1.40 1.02 -1.26 -4.97 120.64 106.17 2fee n GLU 235 Ca 0.10 0.84 -0.02 0.00 -0.02 0.00 0.00 57.16 58.06 2fee n GLU 235 Cb 0.28 -5.72 -0.05 0.00 -0.02 0.00 0.00 31.44 25.93 2fee n GLU 235 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2fee s VAL 236 N -3.18 -0.90 0.47 2.62 1.01 -1.23 -5.16 120.40 114.03 2fee s VAL 236 Ca 0.37 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 2fee s VAL 236 Cb -0.17 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.16 2fee s VAL 236 CO 0.45 0.01 0.95 0.00 0.00 0.00 0.00 175.10 176.51 2fee s ALA 237 N 2.79 3.08 0.08 5.51 0.00 -1.26 -4.99 121.76 126.98 2fee s ALA 237 Ca -0.06 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2fee s ALA 237 Cb -0.12 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2fee s ALA 237 CO -0.18 -0.08 1.43 -0.07 0.00 0.00 0.00 175.76 176.86 2fee h LEU 238 N 1.33 0.61 -7.86 0.00 3.38 -1.92 -3.40 115.31 107.45 2fee h LEU 238 Ca -0.48 -0.44 -0.63 0.00 0.09 0.00 0.00 57.88 56.43 2fee h LEU 238 Cb 1.18 -0.17 -0.36 0.00 0.09 0.00 0.00 40.66 41.40 2fee h LEU 238 CO 0.62 0.91 -0.82 -0.63 0.09 0.00 0.00 178.44 178.61 2fee s ILE 239 N -4.49 1.78 -0.15 1.22 1.01 -1.26 -4.91 121.20 114.39 2fee s ILE 239 Ca -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.43 2fee s ILE 239 Cb 0.08 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2fee s ILE 239 CO 0.79 0.24 -0.00 -0.62 0.00 0.00 0.00 174.94 175.35 2fee s ASP 240 N 1.35 5.11 0.00 3.58 -1.08 -1.26 -4.68 116.67 119.69 2fee s ASP 240 Ca -0.01 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2fee s ASP 240 Cb -0.16 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 2fee s ASP 240 CO -0.09 0.20 0.00 0.55 0.52 0.00 0.00 175.17 176.35 2fee n VAL 241 N 3.33 0.00 -1.02 1.11 3.14 -1.26 -4.62 118.33 119.01 2fee n VAL 241 Ca -0.17 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.34 2fee n VAL 241 Cb 0.53 0.79 -0.05 0.00 -1.06 0.00 0.00 33.84 34.05 2fee n VAL 241 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fee n GLY 242 N 0.00 -2.49 3.62 7.55 0.00 -1.26 -4.63 105.19 107.97 2fee n GLY 242 Ca 0.00 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2fee n GLY 242 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fee s LYS 243 N -2.96 3.69 1.05 1.61 2.47 -1.26 -4.94 119.74 119.40 2fee s LYS 243 Ca 0.00 1.31 -0.17 0.00 -1.56 0.00 0.00 55.97 55.56 2fee s LYS 243 Cb 0.00 -4.02 0.22 0.00 -1.46 0.00 0.00 37.83 32.58 2fee s LYS 243 CO 0.00 -1.41 1.20 -0.51 0.16 0.00 0.00 175.35 174.79 2fee s LEU 244 N 5.32 1.77 0.00 5.43 2.01 -1.26 -5.07 118.68 126.87 2fee s LEU 244 Ca 0.66 0.54 -0.14 0.00 0.01 0.00 0.00 54.13 55.19 2fee s LEU 244 Cb -0.19 -2.50 0.21 0.00 0.01 0.00 0.00 46.19 43.72 2fee s LEU 244 CO 0.29 -3.27 0.80 -1.54 1.01 0.00 0.00 176.35 173.64 2fee n SER 245 N -4.17 -1.61 -4.97 2.29 3.41 -1.26 -5.08 113.62 102.23 2fee n SER 245 Ca 0.13 -1.01 -0.19 0.00 -0.26 0.00 0.00 58.87 57.53 2fee n SER 245 Cb 0.59 -0.72 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 2fee n SER 245 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2fee s ASP 246 N -3.69 5.21 -0.17 4.04 1.11 -1.26 -4.87 116.67 117.04 2fee s ASP 246 Ca 0.51 -0.54 0.01 0.00 0.18 0.00 0.00 52.55 52.70 2fee s ASP 246 Cb -0.05 -0.20 0.02 0.00 1.07 0.00 0.00 42.92 43.76 2fee s ASP 246 CO 0.39 -1.19 -0.17 0.00 1.18 0.00 0.00 175.17 175.38 2fee s ALA 247 N -2.63 2.09 0.58 5.23 0.00 -1.26 -4.97 121.76 120.79 2fee s ALA 247 Ca 0.60 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 2fee s ALA 247 Cb -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2fee s ALA 247 CO 0.38 -0.38 1.17 -2.14 0.00 0.00 0.00 175.76 174.79 2fee s PRO 248 N 1.39 3.10 0.41 0.00 0.02 -1.26 -4.95 135.00 133.71 2fee s PRO 248 Ca 0.05 1.72 0.16 0.00 0.02 0.00 0.00 61.00 62.95 2fee s PRO 248 Cb -0.13 -1.96 1.03 0.00 0.02 0.00 0.00 34.50 33.46 2fee s PRO 248 CO -0.12 -1.08 1.87 -0.07 -0.33 0.00 0.00 177.00 177.28 2fee h LEU 249 N 0.95 0.45 0.00 -5.54 3.38 -2.02 0.50 115.31 113.02 2fee h LEU 249 Ca -0.50 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2fee h LEU 249 Cb 1.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2fee h LEU 249 CO 0.56 0.20 0.00 -0.46 0.09 0.00 0.00 178.44 178.82 2fee n ASN 250 N -4.52 0.00 -0.00 -0.43 6.94 -1.26 -2.53 115.26 113.46 2fee n ASN 250 Ca 0.18 -1.46 0.08 0.00 -0.02 0.00 0.00 54.58 53.36 2fee n ASN 250 Cb 0.62 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.93 2fee n ASN 250 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2fee n THR 251 N -0.66 0.00 0.07 5.53 -1.04 0.16 -4.68 114.28 113.67 2fee n THR 251 Ca 0.07 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.66 2fee n THR 251 Cb 0.03 0.43 -0.07 0.00 -1.82 0.00 0.00 70.33 68.90 2fee n THR 251 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2fee h LEU 252 N 0.00 -0.07 -1.90 -4.42 3.38 -1.53 -2.15 115.31 108.62 2fee h LEU 252 Ca 0.00 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.36 2fee h LEU 252 Cb 0.63 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2fee h LEU 252 CO 0.00 -0.05 0.95 4.11 0.09 0.00 0.00 178.44 183.54 2fee h TRP 253 N -0.08 0.10 -0.12 1.13 5.08 -1.83 0.36 115.95 120.59 2fee h TRP 253 Ca -0.01 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 2fee h TRP 253 Cb 0.06 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.19 2fee h TRP 253 CO -0.08 -0.01 -0.24 -0.07 -1.28 0.00 0.00 178.44 176.76 2fee h LEU 254 N 0.04 0.20 -0.48 0.11 3.38 -1.72 -1.80 115.31 115.04 2fee h LEU 254 Ca 0.66 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.41 2fee h LEU 254 Cb 2.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 43.20 2fee h LEU 254 CO -0.06 0.45 -0.75 1.88 0.09 0.00 0.00 178.44 180.05 2fee h TYR 255 N 0.19 0.17 -0.17 1.13 -1.99 -0.39 -2.45 116.97 113.45 2fee h TYR 255 Ca 0.03 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 2fee h TYR 255 Cb 0.53 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 2fee h TYR 255 CO 0.01 0.82 0.07 1.25 -0.00 0.00 0.00 178.16 180.31 2fee h LEU 256 N 0.08 0.24 -1.04 3.88 5.85 -1.30 0.18 115.31 123.19 2fee h LEU 256 Ca -0.02 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2fee h LEU 256 Cb 1.32 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2fee h LEU 256 CO 0.11 0.33 0.63 0.40 -0.34 0.00 0.00 178.44 179.57 2fee h ILE 257 N 0.13 1.01 -0.53 4.05 2.04 -1.35 -0.50 117.51 122.36 2fee h ILE 257 Ca 0.06 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2fee h ILE 257 Cb 0.17 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 2fee h ILE 257 CO -0.01 0.20 0.10 0.25 0.00 0.00 0.00 178.15 178.69 2fee h LEU 258 N 1.07 0.83 -0.64 1.44 5.85 -1.05 -2.01 115.31 120.79 2fee h LEU 258 Ca 0.46 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2fee h LEU 258 Cb 0.33 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2fee h LEU 258 CO -0.21 0.87 0.34 1.23 -0.34 0.00 0.00 178.44 180.33 2fee h GLY 259 N 0.75 0.94 0.68 3.75 0.00 0.12 -1.34 103.07 107.97 2fee h GLY 259 Ca 0.16 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2fee h GLY 259 CO 0.01 0.12 -0.04 -2.22 0.00 0.00 0.00 176.54 174.42 2fee h ILE 260 N 0.63 0.84 -0.61 2.60 2.04 -0.90 0.46 117.51 122.57 2fee h ILE 260 Ca 0.29 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.21 2fee h ILE 260 Cb 0.22 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 2fee h ILE 260 CO -0.20 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.68 2fee h ILE 261 N 0.01 0.96 -0.69 -0.67 2.04 -0.81 -0.15 117.51 118.20 2fee h ILE 261 Ca 0.08 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2fee h ILE 261 Cb 0.12 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2fee h ILE 261 CO -0.16 0.11 0.16 -0.26 0.00 0.00 0.00 178.15 178.00 2fee h PHE 262 N 0.62 1.14 -0.91 1.37 -1.00 -0.98 -2.09 116.94 115.09 2fee h PHE 262 Ca 0.27 -0.13 0.10 0.00 2.81 0.00 0.00 57.97 61.02 2fee h PHE 262 Cb 0.17 -0.32 -0.08 0.00 3.61 0.00 0.00 35.95 39.33 2fee h PHE 262 CO -0.09 0.93 0.55 0.78 -1.61 0.00 0.00 178.31 178.87 2fee h GLY 263 N 1.07 1.44 1.13 -1.45 0.00 0.16 0.84 103.07 106.26 2fee h GLY 263 Ca 0.22 -0.37 -0.27 0.00 0.00 0.00 0.00 47.33 46.91 2fee h GLY 263 CO 0.00 0.15 -1.10 0.16 0.00 0.00 0.00 176.54 175.76 2fee h ILE 264 N 0.90 1.31 0.00 2.60 3.07 -1.01 -2.57 117.51 121.81 2fee h ILE 264 Ca 0.44 -2.37 -0.09 0.00 1.55 0.00 0.00 64.86 64.39 2fee h ILE 264 Cb 0.40 2.65 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 2fee h ILE 264 CO -0.25 0.72 -0.44 0.15 -1.05 0.00 0.00 178.15 177.27 2fee h PHE 265 N 0.21 0.00 -0.19 0.16 3.57 -1.00 -3.30 116.94 116.39 2fee h PHE 265 Ca -0.16 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.37 2fee h PHE 265 Cb 1.78 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.46 2fee h PHE 265 CO 0.12 0.44 -0.47 0.78 -2.23 0.00 0.00 178.31 176.96 2fee h GLY 266 N 2.25 -1.16 1.22 2.40 0.00 0.58 -0.13 103.07 108.23 2fee h GLY 266 Ca -0.00 0.70 -0.10 0.00 0.00 0.00 0.00 47.33 47.93 2fee h GLY 266 CO 0.06 -0.24 -0.06 -2.55 0.00 0.00 0.00 176.54 173.74 2fee h PRO 267 N -0.44 0.93 -0.99 4.80 0.11 -1.68 -2.75 132.00 131.97 2fee h PRO 267 Ca 0.04 -0.30 0.20 0.00 0.11 0.00 0.00 66.00 66.05 2fee h PRO 267 Cb 0.55 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.48 2fee h PRO 267 CO -0.41 0.96 0.62 0.82 -0.21 0.00 0.00 178.00 179.77 2fee h ILE 268 N 0.84 0.68 -0.35 4.15 2.04 -1.56 0.29 117.51 123.59 2fee h ILE 268 Ca 0.14 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2fee h ILE 268 Cb 0.59 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2fee h ILE 268 CO 0.04 0.12 -0.02 0.15 0.00 0.00 0.00 178.15 178.43 2fee h PHE 269 N 0.66 0.70 -0.60 1.37 3.57 -0.81 -2.97 116.94 118.87 2fee h PHE 269 Ca 0.57 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.98 2fee h PHE 269 Cb 1.02 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2fee h PHE 269 CO -0.00 0.76 0.34 -0.91 -2.23 0.00 0.00 178.31 176.26 2fee h ASN 270 N 0.44 0.51 -0.38 0.41 -0.26 -0.29 0.51 115.58 116.53 2fee h ASN 270 Ca 0.10 0.02 0.05 0.00 -0.56 0.00 0.00 56.30 55.91 2fee h ASN 270 Cb 0.49 -0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 37.59 2fee h ASN 270 CO 0.02 0.35 -0.54 0.11 -1.06 0.00 0.00 177.43 176.31 2fee h LYS 271 N 0.64 -0.40 -0.86 0.81 1.57 -0.80 -1.12 116.57 116.41 2fee h LYS 271 Ca 0.26 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2fee h LYS 271 Cb 0.12 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2fee h LYS 271 CO -0.15 -0.26 0.45 -1.49 -0.57 0.00 0.00 179.45 177.42 2fee h TRP 272 N -0.41 1.21 -0.59 -1.35 6.55 -1.24 0.94 115.95 121.07 2fee h TRP 272 Ca 0.08 -0.04 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 2fee h TRP 272 Cb 0.61 -0.38 -0.03 0.00 -0.86 0.00 0.00 29.16 28.50 2fee h TRP 272 CO -0.70 0.85 0.24 -0.24 -1.05 0.00 0.00 178.44 177.54 2fee h VAL 273 N 1.22 1.23 0.27 1.49 3.04 -0.71 0.34 116.25 123.12 2fee h VAL 273 Ca 0.30 -0.70 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 2fee h VAL 273 Cb 0.07 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2fee h VAL 273 CO -0.04 0.27 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.59 2fee h LEU 274 N 0.82 -0.30 -0.97 3.16 3.38 -0.69 -2.96 115.31 117.75 2fee h LEU 274 Ca 0.20 0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.53 2fee h LEU 274 Cb 0.20 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 40.85 2fee h LEU 274 CO -0.02 -0.05 0.33 0.61 0.09 0.00 0.00 178.44 179.41 2fee n GLY 275 N 0.44 -0.95 0.16 0.83 0.00 0.32 0.19 105.19 106.19 2fee n GLY 275 Ca -0.04 0.84 0.02 0.00 0.00 0.00 0.00 46.02 46.84 2fee n GLY 275 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2fee h MET 276 N 0.00 0.00 -0.89 1.61 -1.53 -1.00 -0.57 114.93 112.55 2fee h MET 276 Ca 0.73 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.98 2fee h MET 276 Cb 1.81 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.82 2fee h MET 276 CO -0.81 0.51 0.52 0.37 0.14 0.00 0.00 176.91 177.64 2fee h GLN 277 N 0.00 1.23 0.29 0.39 4.15 -0.08 -1.81 115.11 119.28 2fee h GLN 277 Ca -0.01 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2fee h GLN 277 Cb 1.00 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2fee h GLN 277 CO 0.07 0.87 -0.14 -0.44 -1.93 0.00 0.00 178.83 177.26 2fee h ASP 278 N 1.24 -0.33 -0.29 -0.69 3.32 -1.14 -2.69 116.42 115.83 2fee h ASP 278 Ca 0.32 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.47 2fee h ASP 278 Cb -0.02 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2fee h ASP 278 CO -0.06 0.11 0.49 0.25 -1.72 0.00 0.00 179.24 178.31 2fee h LEU 279 N -1.08 0.00 0.00 1.55 6.46 -1.14 0.51 115.31 121.61 2fee h LEU 279 Ca -0.04 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.62 2fee h LEU 279 Cb 0.30 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 2fee h LEU 279 CO 0.07 0.00 -1.33 0.18 -0.62 0.00 0.00 178.44 176.73 2fee n LEU 280 N -3.34 0.78 -0.13 2.25 4.77 -0.68 -3.99 117.00 116.65 2fee n LEU 280 Ca 0.05 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 2fee n LEU 280 Cb 0.62 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.74 2fee n LEU 280 CO 0.21 0.03 0.93 -0.74 -1.33 0.00 0.00 177.39 176.49 2fee h HIS 281 N 0.00 0.59 -0.26 -1.77 2.76 0.39 -3.03 115.15 113.83 2fee h HIS 281 Ca -0.11 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.09 2fee h HIS 281 Cb 1.36 -0.18 -0.07 0.00 1.55 0.00 0.00 27.41 30.07 2fee h HIS 281 CO 0.00 0.51 -0.17 0.00 -1.30 0.00 0.00 177.93 176.98 2fee h ARG 282 N 0.50 -0.14 -1.32 5.26 3.08 -1.65 2.04 114.38 122.15 2fee h ARG 282 Ca 0.13 0.01 0.39 0.00 0.07 0.00 0.00 59.98 60.58 2fee h ARG 282 Cb 0.16 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 2fee h ARG 282 CO -0.01 -0.10 0.92 0.28 -1.07 0.00 0.00 179.97 179.99 2fee h VAL 283 N -0.15 0.31 0.00 2.04 2.07 -1.66 -2.60 116.25 116.26 2fee h VAL 283 Ca 0.14 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2fee h VAL 283 Cb 0.37 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2fee h VAL 283 CO -0.35 0.02 -0.62 0.00 0.02 0.00 0.00 177.57 176.63 2fee n HIS 284 N -4.31 0.00 -0.88 1.57 1.44 -0.81 -4.89 115.22 107.33 2fee n HIS 284 Ca 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 2fee n HIS 284 Cb 1.35 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.45 2fee n HIS 284 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fee n GLY 285 N 1.92 0.04 0.00 -1.39 0.00 0.69 -0.28 105.19 106.17 2fee n GLY 285 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fee n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 286 N 0.08 0.69 3.63 -0.02 0.00 -1.25 -5.00 105.19 103.32 2fee n GLY 286 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2fee n GLY 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fee s ASN 287 N -2.55 6.83 0.58 1.61 2.47 0.62 -4.94 114.94 119.56 2fee s ASN 287 Ca 0.00 1.07 0.34 0.00 0.42 0.00 0.00 52.86 54.69 2fee s ASN 287 Cb 0.00 -2.54 1.37 0.00 -1.45 0.00 0.00 41.25 38.63 2fee s ASN 287 CO 0.00 -0.96 1.63 -0.29 -3.72 0.00 0.00 177.10 173.75 2fee h ILE 288 N 5.83 0.19 0.07 -5.21 2.10 -1.97 -0.73 117.51 117.79 2fee h ILE 288 Ca -0.22 0.00 -0.36 0.00 1.08 0.00 0.00 64.86 65.36 2fee h ILE 288 Cb 1.07 0.26 -0.03 0.00 -1.09 0.00 0.00 36.82 37.03 2fee h ILE 288 CO 1.04 0.00 -2.02 0.41 -1.08 0.00 0.00 178.15 176.50 2fee n THR 289 N -3.72 1.67 0.11 2.19 -1.04 -1.26 -2.56 114.28 109.67 2fee n THR 289 Ca 0.24 -0.52 0.05 0.00 -2.04 0.00 0.00 64.05 61.78 2fee n THR 289 Cb 1.33 -1.73 0.48 0.00 -1.82 0.00 0.00 70.33 68.60 2fee n THR 289 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2fee h LYS 290 N -0.19 0.29 0.00 -2.82 1.57 -1.74 -0.72 116.57 112.95 2fee h LYS 290 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2fee h LYS 290 Cb 1.86 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.11 2fee h LYS 290 CO -0.03 0.25 0.00 1.87 -0.57 0.00 0.00 179.45 180.97 2fee n TRP 291 N -4.44 0.00 -0.34 -1.35 -0.00 -0.32 -1.81 117.44 109.17 2fee n TRP 291 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 57.50 57.78 2fee n TRP 291 Cb 0.12 -0.29 0.53 0.00 -0.00 0.00 0.00 31.31 31.68 2fee n TRP 291 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2fee h VAL 292 N 0.00 0.19 0.22 5.87 2.07 -1.50 1.50 116.25 124.60 2fee h VAL 292 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2fee h VAL 292 Cb 0.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2fee h VAL 292 CO 0.00 0.04 -0.11 -0.07 0.02 0.00 0.00 177.57 177.45 2fee h LEU 293 N 0.19 -0.25 -1.08 2.57 3.38 -1.25 -0.38 115.31 118.49 2fee h LEU 293 Ca 0.78 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.62 2fee h LEU 293 Cb 1.97 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.71 2fee h LEU 293 CO -0.63 0.10 0.62 -0.03 0.09 0.00 0.00 178.44 178.59 2fee h MET 294 N -0.63 1.01 -0.08 1.13 4.05 -0.05 -1.30 114.93 119.06 2fee h MET 294 Ca -0.03 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2fee h MET 294 Cb 0.45 -0.23 -0.06 0.00 -0.80 0.00 0.00 31.60 30.96 2fee h MET 294 CO 0.05 0.67 -0.43 0.78 0.23 0.00 0.00 176.91 178.21 2fee h GLY 295 N 1.04 -0.75 2.00 1.39 0.00 0.22 -1.75 103.07 105.22 2fee h GLY 295 Ca 0.43 0.52 0.00 0.00 0.00 0.00 0.00 47.33 48.29 2fee h GLY 295 CO -0.19 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.73 2fee n GLY 296 N -1.44 -1.19 0.12 4.60 0.00 -0.17 -1.83 105.19 105.28 2fee n GLY 296 Ca -0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2fee n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee h ALA 297 N 2.48 -0.02 -0.32 4.61 0.00 -0.46 -0.42 119.26 125.13 2fee h ALA 297 Ca 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 2fee h ALA 297 Cb 0.35 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2fee h ALA 297 CO 0.00 0.54 0.05 0.82 0.00 0.00 0.00 179.25 180.66 2fee h ILE 298 N -0.30 1.24 -0.55 0.00 2.04 -1.33 -2.01 117.51 116.59 2fee h ILE 298 Ca -0.20 -0.82 0.10 0.00 1.00 0.00 0.00 64.86 64.94 2fee h ILE 298 Cb 1.73 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 38.89 2fee h ILE 298 CO 0.14 0.27 0.06 1.23 0.00 0.00 0.00 178.15 179.85 2fee h GLY 299 N 0.36 0.64 0.99 5.37 0.00 -1.43 -0.65 103.07 108.34 2fee h GLY 299 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2fee h GLY 299 CO 0.01 -0.13 0.29 -1.33 0.00 0.00 0.00 176.54 175.38 2fee h GLY 300 N 0.19 0.94 1.79 4.60 0.00 -0.98 -2.01 103.07 107.59 2fee h GLY 300 Ca 0.28 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.17 2fee h GLY 300 CO -0.41 0.44 0.08 -2.00 0.00 0.00 0.00 176.54 174.66 2fee h LEU 301 N 0.83 0.00 0.32 3.11 5.85 -0.55 -0.55 115.31 124.32 2fee h LEU 301 Ca 0.21 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2fee h LEU 301 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2fee h LEU 301 CO -0.03 0.00 -0.15 0.00 -0.34 0.00 0.00 178.44 177.92 2fee h GLY 303 N -1.07 1.35 0.76 0.00 0.00 -1.32 0.53 103.07 103.31 2fee h GLY 303 Ca -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2fee h GLY 303 CO 0.07 0.10 -0.24 -2.00 0.00 0.00 0.00 176.54 174.47 2fee h LEU 304 N 0.78 -0.63 -1.15 3.11 5.85 -1.16 -3.15 115.31 118.95 2fee h LEU 304 Ca 0.47 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 59.15 2fee h LEU 304 Cb 0.66 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2fee h LEU 304 CO -0.23 -0.36 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.05 2fee h LEU 305 N -0.53 0.06 -1.04 2.25 3.38 -0.19 -2.12 115.31 117.12 2fee h LEU 305 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2fee h LEU 305 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2fee h LEU 305 CO -0.03 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2fee n GLY 306 N -0.36 0.82 1.30 0.83 0.00 0.17 -0.49 105.19 107.46 2fee n GLY 306 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2fee n GLY 306 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2fee n PHE 307 N 0.25 0.00 1.25 1.61 7.35 -0.86 -4.64 117.46 122.42 2fee n PHE 307 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 2fee n PHE 307 Cb 0.14 0.30 0.46 0.00 0.35 0.00 0.00 39.48 40.73 2fee n PHE 307 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2fee n VAL 308 N -2.29 0.00 -2.67 -2.13 0.24 -0.86 -4.52 118.33 106.10 2fee n VAL 308 Ca 0.00 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 2fee n VAL 308 Cb 0.07 0.13 0.11 0.00 -1.47 0.00 0.00 33.84 32.68 2fee n VAL 308 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fee n ALA 309 N -0.96 -2.70 0.26 2.33 0.00 0.35 -5.04 120.51 114.76 2fee n ALA 309 Ca 0.12 -0.59 0.18 0.00 0.00 0.00 0.00 53.44 53.15 2fee n ALA 309 Cb 0.32 -2.74 0.91 0.00 0.00 0.00 0.00 19.45 17.94 2fee n ALA 309 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2fee h PRO 310 N 2.27 0.00 -0.30 0.00 0.11 -1.69 0.16 132.00 132.54 2fee h PRO 310 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2fee h PRO 310 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2fee h PRO 310 CO 0.01 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 177.95 2fee h ALA 311 N 1.70 1.69 0.00 -0.75 0.00 -1.96 -1.75 119.26 118.19 2fee h ALA 311 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2fee h ALA 311 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2fee h ALA 311 CO -0.00 0.26 -0.24 1.79 0.00 0.00 0.00 179.25 181.06 2fee h THR 312 N 0.42 0.60 -2.49 0.00 1.35 -0.99 -3.46 112.91 108.34 2fee h THR 312 Ca 0.11 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2fee h THR 312 Cb 0.05 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2fee h THR 312 CO -0.02 0.23 0.00 -0.24 -0.25 0.00 0.00 175.52 175.25 2fee n SER 313 N -3.42 0.37 -1.28 5.36 2.88 -0.66 -4.59 113.62 112.29 2fee n SER 313 Ca -0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2fee n SER 313 Cb 0.43 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 2fee n SER 313 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fee n GLY 314 N 5.00 -1.85 0.31 0.46 0.00 -1.10 -4.46 105.19 103.55 2fee n GLY 314 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.07 2fee n GLY 314 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2fee h GLY 315 N -1.23 0.76 0.00 -0.02 0.00 -1.82 -3.38 103.07 97.38 2fee h GLY 315 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2fee h GLY 315 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.51 2fee n GLY 316 N -1.17 2.53 0.42 4.60 0.00 -1.26 -3.87 105.19 106.44 2fee n GLY 316 Ca 0.04 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.32 2fee n GLY 316 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2fee h PHE 317 N 0.00 0.58 -0.26 1.61 0.05 -1.91 -2.52 116.94 114.49 2fee h PHE 317 Ca 0.00 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.73 2fee h PHE 317 Cb 0.00 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 2fee h PHE 317 CO 0.00 0.02 -0.19 -0.91 -0.18 0.00 0.00 178.31 177.05 2fee h ASN 318 N 0.32 0.46 0.01 2.17 4.21 -1.92 -2.80 115.58 118.04 2fee h ASN 318 Ca 0.62 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.99 2fee h ASN 318 Cb 1.71 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.78 2fee h ASN 318 CO -0.29 0.67 -0.05 0.00 -1.29 0.00 0.00 177.43 176.47 2fee n LEU 319 N -4.16 1.80 0.21 1.61 -0.00 -0.95 -4.20 117.00 111.32 2fee n LEU 319 Ca 0.00 -0.59 -0.14 0.00 -0.00 0.00 0.00 56.01 55.27 2fee n LEU 319 Cb 0.36 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.69 2fee n LEU 319 CO 0.41 0.30 0.60 0.40 -0.00 0.00 0.00 177.39 179.10 2fee h ILE 320 N 2.75 0.59 -0.32 1.47 2.04 -1.47 -0.99 117.51 121.59 2fee h ILE 320 Ca 0.00 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.52 2fee h ILE 320 Cb 0.62 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2fee h ILE 320 CO 0.00 0.07 0.16 -0.65 0.00 0.00 0.00 178.15 177.73 2fee h PRO 321 N -0.75 0.33 -0.64 2.37 0.11 -1.73 -1.13 132.00 130.56 2fee h PRO 321 Ca -0.05 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.13 2fee h PRO 321 Cb 0.52 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.48 2fee h PRO 321 CO 0.09 0.22 0.27 0.82 -0.21 0.00 0.00 178.00 179.19 2fee h ILE 322 N 0.34 0.79 -0.29 4.15 2.04 -1.72 -1.55 117.51 121.27 2fee h ILE 322 Ca 0.13 -0.16 -0.19 0.00 1.00 0.00 0.00 64.86 65.64 2fee h ILE 322 Cb 0.04 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2fee h ILE 322 CO -0.09 0.09 -0.55 0.00 0.00 0.00 0.00 178.15 177.60 2fee h ALA 323 N 1.42 0.46 -0.73 1.87 0.00 -0.84 -2.71 119.26 118.74 2fee h ALA 323 Ca 0.32 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2fee h ALA 323 Cb 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2fee h ALA 323 CO -0.30 0.68 0.47 1.15 0.00 0.00 0.00 179.25 181.26 2fee h THR 324 N 0.68 1.14 0.00 0.00 2.02 -0.81 0.46 112.91 116.40 2fee h THR 324 Ca 0.02 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2fee h THR 324 Cb 1.16 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2fee h THR 324 CO 0.12 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.18 2fee n ALA 325 N -2.31 1.75 -3.09 6.16 0.00 -0.62 -3.68 120.51 118.71 2fee n ALA 325 Ca 0.07 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2fee n ALA 325 Cb 0.05 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.35 2fee n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fee n GLY 326 N -0.22 0.07 0.09 0.00 0.00 0.15 -4.94 105.19 100.34 2fee n GLY 326 Ca 0.06 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2fee n GLY 326 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fee n ASN 327 N -1.29 1.02 -4.87 1.61 5.03 -1.03 -4.90 115.26 110.84 2fee n ASN 327 Ca -0.02 -0.87 -0.34 0.00 0.87 0.00 0.00 54.58 54.22 2fee n ASN 327 Cb 0.54 0.67 -0.05 0.00 -1.02 0.00 0.00 39.78 39.92 2fee n ASN 327 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2fee s PHE 328 N -2.89 3.53 1.07 3.10 0.08 -1.26 -5.04 117.98 116.57 2fee s PHE 328 Ca 0.11 0.85 -0.15 0.00 0.12 0.00 0.00 56.93 57.86 2fee s PHE 328 Cb 0.17 -2.22 0.22 0.00 -0.57 0.00 0.00 43.02 40.62 2fee s PHE 328 CO 0.76 0.42 1.12 -1.54 -0.10 0.00 0.00 175.22 175.88 2fee s SER 329 N -2.00 2.08 0.05 1.36 1.04 -1.26 -4.87 113.70 110.10 2fee s SER 329 Ca 0.39 0.87 -0.19 0.00 0.48 0.00 0.00 55.95 57.50 2fee s SER 329 Cb -0.13 -1.32 -0.13 0.00 0.10 0.00 0.00 66.02 64.54 2fee s SER 329 CO 0.20 -3.43 1.35 -0.03 0.98 0.00 0.00 173.24 172.30 2fee h MET 330 N -2.11 0.44 -0.01 4.02 4.05 -1.99 -2.06 114.93 117.27 2fee h MET 330 Ca -0.50 -0.24 0.01 0.00 -0.28 0.00 0.00 59.70 58.69 2fee h MET 330 Cb 1.31 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.10 2fee h MET 330 CO 0.48 0.82 -0.21 0.78 0.23 0.00 0.00 176.91 179.01 2fee h GLY 331 N 0.09 -1.32 -0.27 1.39 0.00 -2.00 -1.82 103.07 99.15 2fee h GLY 331 Ca 0.02 0.64 0.28 0.00 0.00 0.00 0.00 47.33 48.27 2fee h GLY 331 CO 0.05 -0.42 0.63 1.98 0.00 0.00 0.00 176.54 178.78 2fee h MET 332 N -0.25 0.44 0.86 4.80 -1.53 -1.94 -1.58 114.93 115.74 2fee h MET 332 Ca 0.01 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.20 2fee h MET 332 Cb 0.27 -0.10 0.01 0.00 -0.55 0.00 0.00 31.60 31.23 2fee h MET 332 CO -0.15 0.29 -0.42 -0.07 0.14 0.00 0.00 176.91 176.71 2fee h LEU 333 N 0.45 -0.98 -0.86 3.39 3.38 -0.88 -1.10 115.31 118.71 2fee h LEU 333 Ca 0.66 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.84 2fee h LEU 333 Cb 1.47 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 42.37 2fee h LEU 333 CO -0.44 -0.68 0.41 0.58 0.09 0.00 0.00 178.44 178.40 2fee h VAL 334 N -1.21 0.62 0.31 1.22 2.07 -0.50 0.62 116.25 119.37 2fee h VAL 334 Ca -0.12 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2fee h VAL 334 Cb 0.89 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2fee h VAL 334 CO 0.20 0.10 -0.32 0.15 0.02 0.00 0.00 177.57 177.71 2fee h PHE 335 N 0.52 -0.87 -1.07 1.57 3.04 -1.32 -1.90 116.94 116.91 2fee h PHE 335 Ca 0.50 0.01 0.33 0.00 3.98 0.00 0.00 57.97 62.79 2fee h PHE 335 Cb 0.82 0.34 -0.13 0.00 2.56 0.00 0.00 35.95 39.54 2fee h PHE 335 CO -0.11 -0.42 0.64 0.82 -2.02 0.00 0.00 178.31 177.22 2fee h ILE 336 N -0.63 0.32 0.51 1.41 2.04 0.01 0.13 117.51 121.31 2fee h ILE 336 Ca -0.04 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2fee h ILE 336 Cb 0.54 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2fee h ILE 336 CO -0.04 0.06 -0.25 0.15 0.00 0.00 0.00 178.15 178.07 2fee h PHE 337 N 0.31 -0.64 0.27 1.37 3.57 -0.74 -1.17 116.94 119.91 2fee h PHE 337 Ca 0.72 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.21 2fee h PHE 337 Cb 1.78 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.70 2fee h PHE 337 CO -0.01 -0.32 -0.48 0.28 -2.23 0.00 0.00 178.31 175.56 2fee h VAL 338 N -1.05 0.07 -0.90 1.41 2.07 -0.72 0.16 116.25 117.29 2fee h VAL 338 Ca -0.07 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.67 2fee h VAL 338 Cb 0.60 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2fee h VAL 338 CO 0.12 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.32 2fee h ALA 339 N -0.52 2.42 0.09 1.67 0.00 -0.84 -1.75 119.26 120.33 2fee h ALA 339 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2fee h ALA 339 Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2fee h ALA 339 CO -0.18 -0.70 -1.50 0.00 0.00 0.00 0.00 179.25 176.86 2fee h ARG 340 N 0.26 0.18 0.33 0.00 3.08 -0.70 -1.99 114.38 115.54 2fee h ARG 340 Ca 0.46 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2fee h ARG 340 Cb 1.36 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 2fee h ARG 340 CO -0.13 1.01 -0.32 0.28 -1.07 0.00 0.00 179.97 179.75 2fee h VAL 341 N 0.05 0.34 -0.45 2.04 2.07 -0.01 0.10 116.25 120.39 2fee h VAL 341 Ca -0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2fee h VAL 341 Cb 1.98 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 2fee h VAL 341 CO 0.14 0.00 -0.54 0.40 0.02 0.00 0.00 177.57 177.59 2fee h ILE 342 N -0.68 0.00 0.00 4.57 2.04 -1.41 -1.29 117.51 120.74 2fee h ILE 342 Ca -0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2fee h ILE 342 Cb 0.61 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2fee h ILE 342 CO -0.05 0.00 -0.33 0.71 0.00 0.00 0.00 178.15 178.47 2fee h THR 343 N -0.35 0.80 0.33 -0.27 1.35 -1.30 -0.85 112.91 112.62 2fee h THR 343 Ca 0.08 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.52 2fee h THR 343 Cb 0.56 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2fee h THR 343 CO -0.61 0.33 -0.16 0.74 -0.25 0.00 0.00 175.52 175.57 2fee h THR 344 N 0.00 0.66 -0.05 6.82 2.02 -0.41 -2.89 112.91 119.07 2fee h THR 344 Ca -0.00 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.63 2fee h THR 344 Cb 0.85 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 2fee h THR 344 CO 0.04 0.11 -0.35 -0.07 0.37 0.00 0.00 175.52 175.62 2fee h LEU 345 N -0.77 -1.10 -1.88 2.58 3.38 -1.06 -2.14 115.31 114.32 2fee h LEU 345 Ca -0.04 0.13 0.45 0.00 0.09 0.00 0.00 57.88 58.50 2fee h LEU 345 Cb 0.51 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 2fee h LEU 345 CO 0.07 -0.33 1.08 -0.07 0.09 0.00 0.00 178.44 179.29 2fee h LEU 346 N -0.41 0.06 0.05 1.67 4.07 -1.23 -0.15 115.31 119.36 2fee h LEU 346 Ca 0.01 0.02 -0.33 0.00 0.08 0.00 0.00 57.88 57.67 2fee h LEU 346 Cb 0.45 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.18 2fee h LEU 346 CO -0.26 -0.02 -1.83 0.00 -1.08 0.00 0.00 178.44 175.25 2fee h PHE 348 N -0.50 -0.32 -0.98 0.00 3.57 -1.11 -3.19 116.94 114.41 2fee h PHE 348 Ca -0.45 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.38 2fee h PHE 348 Cb 1.68 0.10 -0.16 0.00 2.79 0.00 0.00 35.95 40.36 2fee h PHE 348 CO 0.06 -0.20 0.47 0.77 -2.23 0.00 0.00 178.31 177.18 2fee h SER 349 N -0.85 0.30 0.00 0.41 0.02 -1.23 0.41 113.55 112.61 2fee h SER 349 Ca -0.03 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2fee h SER 349 Cb 0.26 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2fee h SER 349 CO 0.06 -0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 173.96 2fee n SER 350 N -5.18 0.07 -0.81 3.07 3.41 -1.24 -4.21 113.62 108.75 2fee n SER 350 Ca 0.32 -1.14 -0.11 0.00 -0.26 0.00 0.00 58.87 57.68 2fee n SER 350 Cb 1.02 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.89 2fee n SER 350 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fee n GLY 351 N 0.09 1.14 3.77 5.00 0.00 0.14 -4.96 105.19 110.38 2fee n GLY 351 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2fee n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee s ALA 352 N -2.23 2.98 -0.15 4.61 0.00 -1.21 -1.55 121.76 124.20 2fee s ALA 352 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 2fee s ALA 352 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2fee s ALA 352 CO 0.00 -0.81 1.65 -1.25 0.00 0.00 0.00 175.76 175.35 2fee s PRO 353 N -2.68 3.92 0.00 0.00 0.04 -1.26 -1.97 135.00 133.06 2fee s PRO 353 Ca 0.64 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2fee s PRO 353 Cb -0.32 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2fee s PRO 353 CO 0.39 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2fee n GLY 354 N 4.48 4.00 3.55 0.56 0.00 -0.09 -4.57 105.19 113.12 2fee n GLY 354 Ca 0.19 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2fee n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 355 N -0.58 -1.24 0.47 -0.02 0.00 -1.24 -4.06 105.19 98.52 2fee n GLY 355 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.17 2fee n GLY 355 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2fee n ILE 356 N -4.51 0.38 0.24 -0.61 3.06 -1.26 -1.12 119.36 115.54 2fee n ILE 356 Ca 0.08 -0.69 -0.15 0.00 -2.50 0.00 0.00 62.75 59.49 2fee n ILE 356 Cb 0.53 0.94 -0.08 0.00 0.54 0.00 0.00 39.64 41.57 2fee n ILE 356 CO 0.00 0.00 0.00 0.15 -2.50 0.00 0.00 176.55 174.20 2fee h PHE 357 N 1.92 -0.55 1.02 9.51 3.57 -1.97 -2.51 116.94 127.93 2fee h PHE 357 Ca 0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2fee h PHE 357 Cb 0.53 0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.46 2fee h PHE 357 CO 0.08 -0.25 -0.49 0.00 -2.23 0.00 0.00 178.31 175.42 2fee h ALA 358 N -0.35 -1.37 0.00 2.41 0.00 -1.91 -2.44 119.26 115.60 2fee h ALA 358 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2fee h ALA 358 Cb 0.55 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2fee h ALA 358 CO 0.10 -1.27 0.08 -2.30 0.00 0.00 0.00 179.25 175.87 2fee n PRO 359 N -5.68 0.11 0.07 0.00 -0.02 -1.25 -0.55 135.00 127.69 2fee n PRO 359 Ca -0.17 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2fee n PRO 359 Cb 0.54 -1.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 2fee n PRO 359 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2fee h MET 360 N 0.00 0.29 0.19 -0.52 2.86 -0.97 -2.34 114.93 114.44 2fee h MET 360 Ca 0.00 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2fee h MET 360 Cb 0.17 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2fee h MET 360 CO 0.00 0.96 -0.09 -0.07 1.06 0.00 0.00 176.91 178.77 2fee h LEU 361 N 0.18 -0.22 -0.98 1.22 3.38 -0.61 -2.14 115.31 116.15 2fee h LEU 361 Ca -0.04 -0.17 0.20 0.00 0.09 0.00 0.00 57.88 57.96 2fee h LEU 361 Cb 1.41 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 42.11 2fee h LEU 361 CO 0.13 0.05 0.58 0.00 0.09 0.00 0.00 178.44 179.29 2fee h ALA 362 N 0.27 1.64 -0.20 1.53 0.00 -1.52 0.51 119.26 121.48 2fee h ALA 362 Ca -0.03 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2fee h ALA 362 Cb 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2fee h ALA 362 CO 0.04 -0.12 -0.58 -0.07 0.00 0.00 0.00 179.25 178.52 2fee h LEU 363 N 0.69 0.73 -0.43 0.00 3.38 -1.36 -2.44 115.31 115.87 2fee h LEU 363 Ca 0.58 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2fee h LEU 363 Cb 0.96 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2fee h LEU 363 CO -0.41 1.15 -0.44 1.23 0.09 0.00 0.00 178.44 180.05 2fee h GLY 364 N 0.95 0.91 0.15 0.83 0.00 -0.62 -0.37 103.07 104.92 2fee h GLY 364 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 2fee h GLY 364 CO 0.11 0.87 -0.21 -0.84 0.00 0.00 0.00 176.54 176.48 2fee h THR 365 N 0.67 0.00 -0.80 4.70 2.02 -0.98 0.60 112.91 119.12 2fee h THR 365 Ca 0.04 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.37 2fee h THR 365 Cb 1.02 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.33 2fee h THR 365 CO 0.10 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.93 2fee h VAL 366 N -0.37 0.67 -0.15 3.16 2.07 -1.36 0.35 116.25 120.62 2fee h VAL 366 Ca -0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2fee h VAL 366 Cb 0.34 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2fee h VAL 366 CO -0.06 0.09 -0.03 0.25 0.02 0.00 0.00 177.57 177.84 2fee h LEU 367 N 0.51 0.29 -0.92 2.57 5.85 -1.07 -2.04 115.31 120.50 2fee h LEU 367 Ca 0.45 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2fee h LEU 367 Cb 0.67 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2fee h LEU 367 CO -0.40 0.58 0.61 1.23 -0.34 0.00 0.00 178.44 180.13 2fee h GLY 368 N -0.01 1.31 0.79 3.75 0.00 0.59 -1.48 103.07 108.01 2fee h GLY 368 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2fee h GLY 368 CO 0.01 0.46 -0.18 -0.84 0.00 0.00 0.00 176.54 175.99 2fee h THR 369 N 1.23 0.60 -0.98 4.70 2.02 -0.35 -0.68 112.91 119.45 2fee h THR 369 Ca 0.34 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.68 2fee h THR 369 Cb -0.12 0.60 -0.10 0.00 -1.74 0.00 0.00 68.15 66.80 2fee h THR 369 CO -0.08 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.40 2fee h ALA 370 N 0.36 1.55 -0.46 6.16 0.00 -0.71 0.19 119.26 126.36 2fee h ALA 370 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2fee h ALA 370 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2fee h ALA 370 CO -0.04 0.05 -0.00 0.35 0.00 0.00 0.00 179.25 179.61 2fee h PHE 371 N 0.83 0.89 -0.74 0.00 3.57 -0.96 -2.88 116.94 117.65 2fee h PHE 371 Ca 0.53 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 2fee h PHE 371 Cb 0.71 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2fee h PHE 371 CO -0.02 0.86 0.43 0.78 -2.23 0.00 0.00 178.31 178.13 2fee h GLY 372 N 0.66 1.09 0.13 2.40 0.00 0.74 0.26 103.07 108.35 2fee h GLY 372 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.00 2fee h GLY 372 CO 0.02 0.46 -0.50 -0.33 0.00 0.00 0.00 176.54 176.19 2fee h MET 373 N 1.02 -0.68 -0.89 4.80 2.86 -0.64 0.35 114.93 121.75 2fee h MET 373 Ca 0.26 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.99 2fee h MET 373 Cb 0.00 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 2fee h MET 373 CO -0.05 -0.45 0.57 0.28 1.06 0.00 0.00 176.91 178.32 2fee h VAL 374 N -0.70 1.13 -0.47 -2.22 2.07 -1.27 -1.88 116.25 112.91 2fee h VAL 374 Ca 0.01 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2fee h VAL 374 Cb 0.73 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2fee h VAL 374 CO -0.30 0.20 0.29 0.00 0.02 0.00 0.00 177.57 177.78 2fee h ALA 375 N 1.37 0.59 0.04 1.67 0.00 0.23 -2.58 119.26 120.60 2fee h ALA 375 Ca 0.36 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2fee h ALA 375 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2fee h ALA 375 CO -0.13 -0.01 -0.13 -0.24 0.00 0.00 0.00 179.25 178.74 2fee h VAL 376 N 0.58 0.68 -0.73 0.00 3.04 0.50 -1.96 116.25 118.35 2fee h VAL 376 Ca 0.18 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.82 2fee h VAL 376 Cb -0.01 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 29.92 2fee h VAL 376 CO -0.07 0.00 0.25 1.05 -1.01 0.00 0.00 177.57 177.79 2fee h GLU 377 N -0.25 1.12 0.00 4.17 4.11 -1.46 -3.12 114.58 119.15 2fee h GLU 377 Ca 0.03 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2fee h GLU 377 Cb 0.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2fee h GLU 377 CO -0.10 0.94 0.00 -0.07 0.07 0.00 0.00 179.01 179.85 2fee h LEU 378 N 1.08 0.00 -6.07 3.06 3.38 -1.28 -3.38 115.31 112.10 2fee h LEU 378 Ca 0.24 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 2fee h LEU 378 Cb 0.27 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.62 2fee h LEU 378 CO -0.01 0.00 -1.01 0.49 0.09 0.00 0.00 178.44 178.00 2fee n PHE 379 N -3.00 0.29 0.50 1.13 3.01 -0.75 -4.93 117.46 113.70 2fee n PHE 379 Ca 0.03 -3.65 0.12 0.00 1.01 0.00 0.00 57.45 54.96 2fee n PHE 379 Cb 0.47 -0.35 0.46 0.00 -0.01 0.00 0.00 39.48 40.05 2fee n PHE 379 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2fee n PRO 380 N 1.42 0.19 0.03 -1.08 -0.04 -1.24 -2.17 135.00 132.11 2fee n PRO 380 Ca 0.23 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2fee n PRO 380 Cb 0.50 -1.81 0.47 0.00 -0.04 0.00 0.00 33.50 32.62 2fee n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fee n GLN 381 N -2.17 0.05 0.07 0.54 0.00 -1.26 -2.95 117.38 111.66 2fee n GLN 381 Ca 0.03 0.16 0.09 0.00 0.00 0.00 0.00 57.00 57.28 2fee n GLN 381 Cb 0.29 -1.57 -0.05 0.00 0.00 0.00 0.00 30.24 28.91 2fee n GLN 381 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2fee n TYR 382 N -1.67 0.79 -3.41 2.61 0.53 -0.92 -4.99 117.16 110.11 2fee n TYR 382 Ca 0.05 0.24 -0.19 0.00 -1.02 0.00 0.00 57.90 56.98 2fee n TYR 382 Cb 0.28 -0.91 0.07 0.00 -1.03 0.00 0.00 39.34 37.75 2fee n TYR 382 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2fee n HIS 383 N -2.65 -2.37 -1.18 -0.72 8.25 -1.15 -4.93 115.22 110.47 2fee n HIS 383 Ca -0.03 0.88 -0.31 0.00 -0.26 0.00 0.00 57.72 58.00 2fee n HIS 383 Cb 0.62 -4.65 0.11 0.00 1.12 0.00 0.00 29.99 27.18 2fee n HIS 383 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fee s LEU 384 N -6.37 2.89 -0.17 2.41 1.43 -1.26 -5.05 118.68 112.56 2fee s LEU 384 Ca 0.35 1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 55.24 2fee s LEU 384 Cb -0.15 -4.44 0.05 0.00 0.03 0.00 0.00 46.19 41.69 2fee s LEU 384 CO 0.65 -2.26 0.03 -0.70 0.23 0.00 0.00 176.35 174.30 2fee s GLU 385 N -4.88 0.65 0.33 1.70 2.12 -1.26 -4.94 118.70 112.42 2fee s GLU 385 Ca 0.62 -0.33 0.12 0.00 0.36 0.00 0.00 54.97 55.74 2fee s GLU 385 Cb -0.18 -1.93 1.05 0.00 0.26 0.00 0.00 34.13 33.33 2fee s GLU 385 CO 0.56 -0.59 1.51 0.00 -0.54 0.00 0.00 175.26 176.21 2fee n ALA 386 N 5.07 0.78 0.25 6.30 0.00 -1.26 -0.76 120.51 130.89 2fee n ALA 386 Ca -0.09 1.00 0.14 0.00 0.00 0.00 0.00 53.44 54.49 2fee n ALA 386 Cb 0.48 -0.88 0.74 0.00 0.00 0.00 0.00 19.45 19.79 2fee n ALA 386 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2fee h GLY 387 N 0.00 0.00 1.97 0.00 0.00 -1.88 0.79 103.07 103.95 2fee h GLY 387 Ca 0.71 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.87 2fee h GLY 387 CO -0.81 0.00 -0.84 -0.91 0.00 0.00 0.00 176.54 173.98 2fee h THR 388 N 0.00 1.59 0.01 4.70 1.35 -1.26 -2.77 112.91 116.52 2fee h THR 388 Ca 0.00 -2.84 -0.19 0.00 -0.55 0.00 0.00 66.41 62.82 2fee h THR 388 Cb 0.35 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2fee h THR 388 CO 0.00 0.81 -0.88 -0.26 -0.25 0.00 0.00 175.52 174.95 2fee h PHE 389 N 0.01 0.24 -0.45 4.73 -1.00 -1.02 -2.00 116.94 117.45 2fee h PHE 389 Ca -0.01 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.65 2fee h PHE 389 Cb 1.49 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 41.00 2fee h PHE 389 CO 0.00 0.95 0.28 0.00 -1.61 0.00 0.00 178.31 177.93 2fee h ALA 390 N 1.00 0.57 -0.04 2.45 0.00 -1.39 0.22 119.26 122.07 2fee h ALA 390 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2fee h ALA 390 Cb 1.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2fee h ALA 390 CO 0.13 -0.03 -0.74 0.82 0.00 0.00 0.00 179.25 179.43 2fee h ILE 391 N 0.56 1.42 -0.34 0.00 2.04 -1.42 -0.16 117.51 119.61 2fee h ILE 391 Ca 0.17 -2.26 -0.03 0.00 1.00 0.00 0.00 64.86 63.75 2fee h ILE 391 Cb -0.01 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2fee h ILE 391 CO -0.07 0.67 0.10 0.00 0.00 0.00 0.00 178.15 178.85 2fee h ALA 392 N 1.04 0.44 0.00 1.87 0.00 -1.23 -3.10 119.26 118.28 2fee h ALA 392 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2fee h ALA 392 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2fee h ALA 392 CO 0.12 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2fee n GLY 393 N -0.63 -1.49 0.15 0.00 0.00 0.05 -3.85 105.19 99.42 2fee n GLY 393 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2fee n GLY 393 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2fee h MET 394 N 0.00 -0.23 -0.62 1.61 -1.53 -0.94 -2.83 114.93 110.39 2fee h MET 394 Ca 0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 2fee h MET 394 Cb 0.55 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 2fee h MET 394 CO 0.00 -0.15 0.00 0.41 0.14 0.00 0.00 176.91 177.31 2fee n GLY 395 N -1.23 2.04 0.09 1.39 0.00 -1.25 -4.16 105.19 102.07 2fee n GLY 395 Ca -0.07 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 2fee n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee n ALA 396 N 0.72 1.37 -0.20 4.61 0.00 -1.07 -2.80 120.51 123.14 2fee n ALA 396 Ca 0.19 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.79 2fee n ALA 396 Cb 0.70 -0.76 0.03 0.00 0.00 0.00 0.00 19.45 19.42 2fee n ALA 396 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2fee h LEU 397 N 0.01 0.65 -1.37 0.00 7.12 -1.79 -0.47 115.31 119.46 2fee h LEU 397 Ca -0.34 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.66 2fee h LEU 397 Cb 2.03 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 42.00 2fee h LEU 397 CO 0.07 0.47 0.12 -0.07 -0.13 0.00 0.00 178.44 178.90 2fee h LEU 398 N 0.76 0.00 -0.53 2.25 3.38 -1.81 0.02 115.31 119.38 2fee h LEU 398 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2fee h LEU 398 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2fee h LEU 398 CO -0.05 0.00 -0.56 0.00 0.09 0.00 0.00 178.44 177.92 2fee n ALA 399 N -1.73 3.70 -0.18 1.53 0.00 -0.24 -2.58 120.51 121.01 2fee n ALA 399 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2fee n ALA 399 Cb 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2fee n ALA 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee n ALA 400 N -0.64 1.54 -0.04 0.00 0.00 -0.85 -3.41 120.51 117.11 2fee n ALA 400 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2fee n ALA 400 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2fee n ALA 400 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fee n SER 401 N -0.31 1.97 0.06 0.00 7.64 -0.06 -3.43 113.62 119.49 2fee n SER 401 Ca 0.00 0.03 0.05 0.00 1.01 0.00 0.00 58.87 59.96 2fee n SER 401 Cb 0.04 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.03 2fee n SER 401 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2fee n ILE 402 N -3.02 0.90 -3.09 0.44 5.41 -1.23 -0.05 119.36 118.72 2fee n ILE 402 Ca -0.13 -0.62 -0.22 0.00 1.00 0.00 0.00 62.75 62.77 2fee n ILE 402 Cb 0.62 -0.53 0.04 0.00 -0.71 0.00 0.00 39.64 39.06 2fee n ILE 402 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2fee n ARG 403 N -2.77 -5.29 -3.46 0.38 5.12 -1.07 -4.39 116.66 105.18 2fee n ARG 403 Ca -0.06 0.86 -0.27 0.00 -1.93 0.00 0.00 57.85 56.46 2fee n ARG 403 Cb 0.71 -5.68 -0.08 0.00 -1.16 0.00 0.00 32.46 26.24 2fee n ARG 403 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2fee n ALA 404 N -3.76 4.00 0.31 7.54 0.00 -1.18 -4.98 120.51 122.44 2fee n ALA 404 Ca -0.09 -4.74 -0.17 0.00 0.00 0.00 0.00 53.44 48.44 2fee n ALA 404 Cb 0.61 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 2fee n ALA 404 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2fee h PRO 405 N 4.28 -0.88 -1.05 0.00 0.13 -1.83 -0.70 132.00 131.96 2fee h PRO 405 Ca 0.19 0.06 0.30 0.00 -0.87 0.00 0.00 66.00 65.68 2fee h PRO 405 Cb 0.67 0.20 -0.13 0.00 0.13 0.00 0.00 31.00 31.87 2fee h PRO 405 CO 0.82 -0.59 0.63 1.25 -0.23 0.00 0.00 178.00 179.89 2fee h LEU 406 N -0.91 0.52 -0.16 1.56 5.85 -1.97 0.51 115.31 120.70 2fee h LEU 406 Ca -0.06 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2fee h LEU 406 Cb 0.77 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2fee h LEU 406 CO 0.01 -0.02 -0.08 0.74 -0.34 0.00 0.00 178.44 178.75 2fee h THR 407 N 0.39 1.32 0.44 1.05 2.02 -1.71 -2.74 112.91 113.67 2fee h THR 407 Ca 0.69 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2fee h THR 407 Cb 1.61 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2fee h THR 407 CO -0.48 0.33 -0.22 1.23 0.37 0.00 0.00 175.52 176.76 2fee h GLY 408 N 0.00 -0.63 -0.03 2.16 0.00 0.14 0.74 103.07 105.45 2fee h GLY 408 Ca 0.03 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.61 2fee h GLY 408 CO 0.02 -0.23 -0.09 -2.22 0.00 0.00 0.00 176.54 174.03 2fee h ILE 409 N -0.60 0.00 -0.05 2.60 2.04 -0.88 0.13 117.51 120.74 2fee h ILE 409 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2fee h ILE 409 Cb 0.47 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2fee h ILE 409 CO 0.09 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.73 2fee h ILE 410 N -0.09 0.34 0.42 -0.67 2.04 -1.47 0.26 117.51 118.33 2fee h ILE 410 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2fee h ILE 410 Cb 0.11 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2fee h ILE 410 CO -0.07 0.00 -0.20 0.25 0.00 0.00 0.00 178.15 178.13 2fee h LEU 411 N 0.00 -0.47 -0.26 1.44 5.85 -0.38 -1.94 115.31 119.55 2fee h LEU 411 Ca 0.03 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2fee h LEU 411 Cb 0.20 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 2fee h LEU 411 CO -0.00 -0.06 -0.24 0.58 -0.34 0.00 0.00 178.44 178.37 2fee h VAL 412 N -0.98 0.39 -0.50 1.05 2.07 0.09 -1.91 116.25 116.45 2fee h VAL 412 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2fee h VAL 412 Cb 0.55 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 2fee h VAL 412 CO 0.09 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.95 2fee h LEU 413 N -0.24 -0.18 -2.41 2.57 5.85 -1.08 0.36 115.31 120.18 2fee h LEU 413 Ca 0.14 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2fee h LEU 413 Cb 0.46 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2fee h LEU 413 CO -0.40 -0.06 0.00 -0.33 -0.34 0.00 0.00 178.44 177.32 2fee h GLU 414 N 0.13 0.00 0.00 1.25 5.08 -0.69 -1.35 114.58 119.00 2fee h GLU 414 Ca 0.25 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.31 2fee h GLU 414 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2fee h GLU 414 CO -0.40 0.00 -2.13 -1.33 -1.00 0.00 0.00 179.01 174.15 2fee n MET 415 N -3.06 0.74 -0.01 2.33 2.81 0.03 -4.57 117.12 115.38 2fee n MET 415 Ca -0.02 0.09 0.10 0.00 -1.81 0.00 0.00 57.70 56.06 2fee n MET 415 Cb 0.16 -1.40 -0.15 0.00 -0.71 0.00 0.00 33.22 31.11 2fee n MET 415 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2fee n THR 416 N -2.96 0.00 -3.91 2.03 -2.24 0.10 -4.63 114.28 102.67 2fee n THR 416 Ca -0.33 -0.33 -0.28 0.00 -2.27 0.00 0.00 64.05 60.84 2fee n THR 416 Cb 0.91 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 2fee n THR 416 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fee n ASP 417 N -2.00 -1.46 -3.08 3.42 4.64 -0.51 -4.73 116.55 112.83 2fee n ASP 417 Ca -0.01 -1.03 -0.30 0.00 -1.38 0.00 0.00 54.79 52.06 2fee n ASP 417 Cb 0.48 -3.02 -0.02 0.00 -1.04 0.00 0.00 41.12 37.52 2fee n ASP 417 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2fee n ASN 418 N -2.88 5.18 0.16 1.67 3.02 -1.26 -4.88 115.26 116.26 2fee n ASN 418 Ca -0.26 -3.69 0.18 0.00 -0.03 0.00 0.00 54.58 50.78 2fee n ASN 418 Cb 0.66 -0.70 0.79 0.00 -0.61 0.00 0.00 39.78 39.93 2fee n ASN 418 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2fee h TYR 419 N 3.24 0.00 0.00 3.10 3.20 -1.92 0.96 116.97 125.55 2fee h TYR 419 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2fee h TYR 419 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2fee h TYR 419 CO 0.95 0.00 0.01 0.00 -1.64 0.00 0.00 178.16 177.49 2fee n GLN 420 N -3.79 0.14 -0.46 1.82 -0.00 -1.26 -0.60 117.38 113.22 2fee n GLN 420 Ca 0.04 0.64 0.07 0.00 -0.00 0.00 0.00 57.00 57.74 2fee n GLN 420 Cb 0.43 -1.97 0.27 0.00 -0.00 0.00 0.00 30.24 28.96 2fee n GLN 420 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2fee n LEU 421 N -2.26 3.67 0.02 2.61 4.77 0.33 -4.59 117.00 121.55 2fee n LEU 421 Ca -0.01 -1.85 -0.10 0.00 -0.03 0.00 0.00 56.01 54.01 2fee n LEU 421 Cb 0.05 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2fee n LEU 421 CO 0.10 0.62 0.70 -0.29 -1.33 0.00 0.00 177.39 177.19 2fee h ILE 422 N 3.04 0.42 0.36 -0.08 6.09 -1.01 -0.86 117.51 125.47 2fee h ILE 422 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 2fee h ILE 422 Cb 1.15 0.42 -0.03 0.00 0.47 0.00 0.00 36.82 38.83 2fee h ILE 422 CO 0.18 0.00 -0.47 -0.07 -3.07 0.00 0.00 178.15 174.72 2fee h LEU 423 N -0.34 -1.31 -1.64 2.19 4.07 -1.84 -0.88 115.31 115.56 2fee h LEU 423 Ca 0.09 0.11 0.20 0.00 0.08 0.00 0.00 57.88 58.36 2fee h LEU 423 Cb 0.46 0.45 -0.06 0.00 1.08 0.00 0.00 40.66 42.59 2fee h LEU 423 CO -0.27 -0.58 0.57 -0.65 -1.08 0.00 0.00 178.44 176.43 2fee h PRO 424 N -0.85 0.30 -0.16 1.13 0.11 -1.86 0.12 132.00 130.78 2fee h PRO 424 Ca -0.04 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 2fee h PRO 424 Cb 0.77 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 2fee h PRO 424 CO -0.11 0.20 -0.09 0.52 -0.21 0.00 0.00 178.00 178.30 2fee h MET 425 N 0.31 0.35 0.92 1.05 2.86 -0.60 0.30 114.93 120.11 2fee h MET 425 Ca 0.43 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 2fee h MET 425 Cb 1.20 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.86 2fee h MET 425 CO -0.13 0.68 -0.44 0.82 1.06 0.00 0.00 176.91 178.90 2fee h ILE 426 N 0.02 0.00 -0.89 -1.22 2.04 -0.42 -1.19 117.51 115.84 2fee h ILE 426 Ca 0.03 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 65.98 2fee h ILE 426 Cb 0.58 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.57 2fee h ILE 426 CO 0.03 0.00 0.50 0.40 0.00 0.00 0.00 178.15 179.07 2fee h ILE 427 N -1.29 0.77 -0.14 -0.67 2.04 -0.80 0.75 117.51 118.16 2fee h ILE 427 Ca -0.13 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2fee h ILE 427 Cb 0.94 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2fee h ILE 427 CO 0.21 0.13 0.04 0.74 0.00 0.00 0.00 178.15 179.27 2fee h THR 428 N 0.72 1.18 -0.12 -0.27 2.02 -0.97 -1.88 112.91 113.60 2fee h THR 428 Ca 0.48 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 67.10 2fee h THR 428 Cb 0.64 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2fee h THR 428 CO -0.34 0.17 0.05 1.23 0.37 0.00 0.00 175.52 177.01 2fee h GLY 429 N 0.05 0.15 0.87 2.16 0.00 0.76 -1.31 103.07 105.74 2fee h GLY 429 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2fee h GLY 429 CO -0.00 0.03 -0.00 -2.00 0.00 0.00 0.00 176.54 174.57 2fee h LEU 430 N 0.12 -0.00 -2.01 3.11 5.85 0.28 -1.80 115.31 120.85 2fee h LEU 430 Ca 0.05 -0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.78 2fee h LEU 430 Cb 0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2fee h LEU 430 CO -0.03 0.13 0.42 1.23 -0.34 0.00 0.00 178.44 179.85 2fee h GLY 431 N -0.14 0.00 0.73 3.75 0.00 -1.12 -0.35 103.07 105.94 2fee h GLY 431 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2fee h GLY 431 CO 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 175.98 2fee h ALA 432 N 1.63 0.06 -0.22 3.60 0.00 -0.42 -2.63 119.26 121.28 2fee h ALA 432 Ca 0.24 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2fee h ALA 432 Cb 1.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2fee h ALA 432 CO -0.00 0.31 -0.18 1.15 0.00 0.00 0.00 179.25 180.53 2fee h THR 433 N -0.17 1.23 -0.23 0.00 2.02 -0.67 -0.35 112.91 114.74 2fee h THR 433 Ca -0.07 -1.04 -0.18 0.00 0.77 0.00 0.00 66.41 65.88 2fee h THR 433 Cb 1.28 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2fee h THR 433 CO 0.11 0.33 -0.57 -0.07 0.37 0.00 0.00 175.52 175.69 2fee h LEU 434 N 0.34 0.91 0.00 2.58 3.38 -1.14 -2.28 115.31 119.09 2fee h LEU 434 Ca 0.06 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 2fee h LEU 434 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2fee h LEU 434 CO 0.03 1.31 -0.59 -0.07 0.09 0.00 0.00 178.44 179.21 2fee h LEU 435 N 0.55 0.00 -0.76 1.67 -0.00 -1.38 -2.08 115.31 113.30 2fee h LEU 435 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2fee h LEU 435 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2fee h LEU 435 CO 0.12 0.41 0.00 0.00 -0.00 0.00 0.00 178.44 178.97 2fee h ALA 436 N 1.59 1.00 0.00 1.53 0.00 -0.62 -2.27 119.26 120.49 2fee h ALA 436 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2fee h ALA 436 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2fee h ALA 436 CO 0.05 0.00 -0.80 0.37 0.00 0.00 0.00 179.25 178.87 2fee h GLN 437 N 0.00 0.00 0.00 0.00 4.15 -1.25 -1.91 115.11 116.10 2fee h GLN 437 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2fee h GLN 437 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2fee h GLN 437 CO 0.00 0.70 0.00 1.19 -1.93 0.00 0.00 178.83 178.79 2fee n PHE 438 N -4.53 0.00 -0.67 3.99 3.72 -0.80 -1.26 117.46 117.92 2fee n PHE 438 Ca -0.21 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.26 2fee n PHE 438 Cb 0.50 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.15 2fee n PHE 438 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2fee n THR 439 N -0.95 1.60 -3.15 4.37 -2.24 -0.86 -5.02 114.28 108.04 2fee n THR 439 Ca 0.12 -1.75 -0.16 0.00 -2.27 0.00 0.00 64.05 59.99 2fee n THR 439 Cb 0.06 0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.37 2fee n THR 439 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fee n GLY 440 N -0.92 -0.10 3.96 3.38 0.00 -0.39 -5.01 105.19 106.11 2fee n GLY 440 Ca 0.11 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2fee n GLY 440 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fee s GLY 441 N -3.12 1.77 -0.01 -0.02 0.00 -0.72 -5.05 107.32 100.16 2fee s GLY 441 Ca 0.36 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 2fee s GLY 441 CO 0.45 -0.84 0.02 0.54 0.00 0.00 0.00 173.10 173.27 2fee s LYS 442 N -5.02 0.01 -0.91 2.90 1.02 -1.26 -4.75 119.74 111.74 2fee s LYS 442 Ca 0.60 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 56.36 2fee s LYS 442 Cb -0.10 -0.04 -0.20 0.00 -0.52 0.00 0.00 37.83 36.97 2fee s LYS 442 CO 0.42 -0.03 2.62 -2.30 -0.92 0.00 0.00 175.35 175.13 2fee n PRO 443 N 3.29 0.18 -0.11 -1.68 -0.02 -1.26 -4.72 135.00 130.68 2fee n PRO 443 Ca -0.15 -0.01 0.27 0.00 -2.02 0.00 0.00 63.50 61.58 2fee n PRO 443 Cb 0.58 -1.83 0.66 0.00 -0.02 0.00 0.00 33.50 32.89 2fee n PRO 443 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2fee h LEU 444 N 13.38 0.00 -0.04 2.45 7.12 -0.67 0.68 115.31 138.22 2fee h LEU 444 Ca -0.08 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.68 2fee h LEU 444 Cb 1.29 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.44 2fee h LEU 444 CO 1.36 0.00 -1.00 1.88 -0.13 0.00 0.00 178.44 180.55 2fee h TYR 445 N 0.00 1.01 0.33 1.25 0.99 -1.84 -2.97 116.97 115.75 2fee h TYR 445 Ca 0.38 -0.53 -0.02 0.00 2.00 0.00 0.00 58.73 60.56 2fee h TYR 445 Cb 1.97 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 39.58 2fee h TYR 445 CO 0.00 1.37 -0.16 0.77 -0.00 0.00 0.00 178.16 180.14 2fee h SER 446 N 0.40 -0.38 -0.16 3.88 0.02 -0.06 -2.92 113.55 114.33 2fee h SER 446 Ca -0.12 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2fee h SER 446 Cb 1.65 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 2fee h SER 446 CO 0.20 -0.17 0.13 0.00 -1.14 0.00 0.00 176.83 175.84 2fee h ALA 447 N 0.06 2.02 -0.01 3.77 0.00 -1.23 0.16 119.26 124.04 2fee h ALA 447 Ca -0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2fee h ALA 447 Cb 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2fee h ALA 447 CO 0.08 -0.21 -0.89 0.82 0.00 0.00 0.00 179.25 179.04 2fee h ILE 448 N 0.00 1.42 -0.27 0.00 2.04 -1.49 -1.59 117.51 117.62 2fee h ILE 448 Ca 0.08 -2.44 -0.12 0.00 1.00 0.00 0.00 64.86 63.37 2fee h ILE 448 Cb 0.33 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2fee h ILE 448 CO -0.00 0.72 -0.30 0.25 0.00 0.00 0.00 178.15 178.82 2fee h LEU 449 N 0.21 0.74 -0.70 1.44 5.85 -0.82 -1.27 115.31 120.76 2fee h LEU 449 Ca -0.06 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.18 2fee h LEU 449 Cb 1.52 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 2fee h LEU 449 CO 0.15 1.07 0.46 0.00 -0.34 0.00 0.00 178.44 179.78 2fee h ALA 450 N 0.69 0.89 -0.38 1.25 0.00 -0.80 0.55 119.26 121.46 2fee h ALA 450 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2fee h ALA 450 Cb 0.87 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2fee h ALA 450 CO 0.07 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.78 2fee h ARG 451 N 0.95 0.57 -0.44 0.00 2.47 -1.29 -1.25 114.38 115.39 2fee h ARG 451 Ca 0.26 -0.11 -0.14 0.00 -1.26 0.00 0.00 59.98 58.74 2fee h ARG 451 Cb -0.11 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 2fee h ARG 451 CO -0.05 0.55 -0.26 1.15 0.56 0.00 0.00 179.97 181.92 2fee h THR 452 N 0.46 1.27 -0.21 2.04 2.02 -0.75 0.82 112.91 118.56 2fee h THR 452 Ca 0.12 -1.42 -0.20 0.00 0.77 0.00 0.00 66.41 65.69 2fee h THR 452 Cb 0.20 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2fee h THR 452 CO -0.01 0.48 -0.65 0.25 0.37 0.00 0.00 175.52 175.96 2fee h LEU 453 N 0.79 0.89 -0.26 2.58 5.85 0.03 -2.85 115.31 122.33 2fee h LEU 453 Ca 0.09 -0.52 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 2fee h LEU 453 Cb 0.84 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2fee h LEU 453 CO 0.07 1.31 -0.43 0.00 -0.34 0.00 0.00 178.44 179.05 2fee h ALA 454 N 0.69 0.41 -0.00 1.25 0.00 -1.17 -2.89 119.26 117.54 2fee h ALA 454 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2fee h ALA 454 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2fee h ALA 454 CO 0.14 0.54 0.00 0.87 0.00 0.00 0.00 179.25 180.80 2fee h LYS 455 N 0.50 0.00 0.22 0.00 1.57 -0.87 0.04 116.57 118.03 2fee h LYS 455 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 2fee h LYS 455 Cb 1.03 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.37 2fee h LYS 455 CO 0.10 0.00 -1.48 0.37 -0.57 0.00 0.00 179.45 177.87 2fee h GLN 456 N 0.00 0.46 0.06 3.15 4.15 -1.31 -3.29 115.11 118.33 2fee h GLN 456 Ca 0.00 -0.79 -0.00 0.00 0.77 0.00 0.00 58.65 58.63 2fee h GLN 456 Cb 0.01 0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2fee h GLN 456 CO -0.00 1.37 -0.03 0.93 -1.93 0.00 0.00 178.83 179.17 2fee h GLU 457 N 0.13 -0.08 -0.55 1.69 5.08 -1.21 -3.30 114.58 116.34 2fee h GLU 457 Ca -0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2fee h GLU 457 Cb 2.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.39 2fee h GLU 457 CO 0.25 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 2fee n ALA 458 N -2.35 2.41 -3.35 3.43 0.00 -0.06 -2.83 120.51 117.77 2fee n ALA 458 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 2fee n ALA 458 Cb 0.23 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 2fee n ALA 458 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2fee n GLU 459 N -0.18 2.14 0.00 0.00 0.28 -1.24 -5.02 120.64 116.62 2fee n GLU 459 Ca 0.00 -4.35 0.00 0.00 -0.16 0.00 0.00 57.16 52.65 2fee n GLU 459 Cb 0.14 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 30.99 2fee n GLU 459 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01