#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fee h ARG 19 N 0.00 0.36 -0.32 -0.14 9.65 -2.06 -0.29 114.38 121.59 2fee h ARG 19 Ca 0.00 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2fee h ARG 19 Cb 0.00 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2fee h ARG 19 CO 0.00 0.24 0.13 0.37 2.80 0.00 0.00 179.97 183.51 2fee h GLN 20 N 0.37 0.47 -0.46 0.20 4.15 -2.05 -2.70 115.11 115.09 2fee h GLN 20 Ca 0.54 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.91 2fee h GLN 20 Cb 1.00 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 2fee h GLN 20 CO -0.53 0.48 0.21 1.25 -1.93 0.00 0.00 178.83 178.31 2fee h LEU 21 N 0.36 0.29 -0.99 -2.39 5.85 -1.52 -0.44 115.31 116.47 2fee h LEU 21 Ca 0.11 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2fee h LEU 21 Cb 0.18 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2fee h LEU 21 CO -0.01 0.21 0.64 0.40 -0.34 0.00 0.00 178.44 179.33 2fee h ILE 22 N 0.42 1.09 -0.44 4.05 2.04 -1.23 0.34 117.51 123.78 2fee h ILE 22 Ca 0.20 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2fee h ILE 22 Cb 0.14 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 2fee h ILE 22 CO -0.16 0.21 0.23 -0.09 0.00 0.00 0.00 178.15 178.34 2fee h ARG 23 N 1.16 0.63 0.25 2.37 9.65 -1.12 -2.76 114.38 124.56 2fee h ARG 23 Ca 0.42 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.21 2fee h ARG 23 Cb 0.15 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2fee h ARG 23 CO -0.17 0.51 -0.12 1.96 2.80 0.00 0.00 179.97 184.95 2fee h GLN 24 N 0.58 -0.32 -0.29 0.20 4.20 -0.08 -3.09 115.11 116.31 2fee h GLN 24 Ca 0.15 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.96 2fee h GLN 24 Cb 0.08 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.85 2fee h GLN 24 CO -0.02 -0.11 -0.26 -0.07 -0.67 0.00 0.00 178.83 177.69 2fee h LEU 25 N -0.48 -0.85 -0.39 1.46 3.38 -0.38 0.12 115.31 118.17 2fee h LEU 25 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2fee h LEU 25 Cb 0.36 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2fee h LEU 25 CO 0.06 -0.29 0.00 0.18 0.09 0.00 0.00 178.44 178.48 2fee n LEU 26 N -5.39 0.20 -0.49 1.67 4.77 -1.04 -2.25 117.00 114.47 2fee n LEU 26 Ca -0.00 0.58 0.05 0.00 -0.03 0.00 0.00 56.01 56.61 2fee n LEU 26 Cb 0.31 -0.58 0.13 0.00 -2.33 0.00 0.00 43.42 40.95 2fee n LEU 26 CO 0.12 -0.54 0.61 -0.62 -1.33 0.00 0.00 177.39 175.63 2fee n GLU 27 N -1.75 2.82 -2.44 3.23 -0.58 0.34 -5.05 120.64 117.21 2fee n GLU 27 Ca 0.01 -2.07 -0.36 0.00 -0.42 0.00 0.00 57.16 54.32 2fee n GLU 27 Cb 0.08 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 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 -1.39 3.90 -1.21 3.49 3.52 -0.68 -4.09 118.95 122.48 2fee s ARG 28 Ca 0.21 1.57 -0.02 0.00 -0.13 0.00 0.00 55.73 57.36 2fee s ARG 28 Cb 0.14 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2fee s ARG 28 CO 0.10 -0.38 0.88 -3.47 -0.81 0.00 0.00 175.30 171.62 2fee n ASP 29 N -0.48 -2.57 -3.99 -2.12 4.64 -1.26 -5.00 116.55 105.77 2fee n ASP 29 Ca 0.07 -0.72 -0.31 0.00 -1.38 0.00 0.00 54.79 52.46 2fee n ASP 29 Cb 0.50 -4.72 -0.15 0.00 -1.04 0.00 0.00 41.12 35.71 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 -5.44 1.79 -0.28 -0.67 1.02 -1.26 -5.09 119.74 109.82 2fee s LYS 30 Ca 0.09 -1.28 -0.05 0.00 0.02 0.00 0.00 55.97 54.74 2fee s LYS 30 Cb -0.02 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 2fee s LYS 30 CO 0.76 -0.66 0.04 0.99 -0.92 0.00 0.00 175.35 175.56 2fee s THR 31 N 1.21 3.67 -0.33 2.17 2.01 -1.26 -5.06 115.64 118.05 2fee s THR 31 Ca -0.04 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 2fee s THR 31 Cb -0.19 -2.87 -0.13 0.00 0.01 0.00 0.00 72.50 69.32 2fee s THR 31 CO -0.07 0.14 1.13 -2.65 -0.69 0.00 0.00 174.62 172.48 2fee n PRO 32 N 4.81 0.00 -0.25 4.92 -0.02 -1.26 -4.79 135.00 138.42 2fee n PRO 32 Ca -0.15 0.00 0.27 0.00 -2.02 0.00 0.00 63.50 61.60 2fee n PRO 32 Cb 0.48 -1.00 0.64 0.00 -0.02 0.00 0.00 33.50 33.60 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 3.81 0.18 -0.12 2.45 6.46 -2.00 0.21 115.31 126.31 2fee h LEU 33 Ca -0.25 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 2fee h LEU 33 Cb 0.92 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.80 2fee h LEU 33 CO 0.67 0.05 -0.18 0.00 -0.62 0.00 0.00 178.44 178.35 2fee h ALA 34 N 1.55 -0.13 0.03 1.25 0.00 -1.99 -0.76 119.26 119.20 2fee h ALA 34 Ca 0.50 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.48 2fee h ALA 34 Cb 1.68 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2fee h ALA 34 CO -0.11 -0.64 -0.20 0.82 0.00 0.00 0.00 179.25 179.12 2fee h ILE 35 N -0.24 0.53 -0.13 0.00 2.04 -0.92 0.56 117.51 119.36 2fee h ILE 35 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2fee h ILE 35 Cb 0.38 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2fee h ILE 35 CO -0.26 0.00 -0.45 -0.07 0.00 0.00 0.00 178.15 177.37 2fee h LEU 36 N -0.34 -1.42 -1.49 1.44 3.38 -1.35 0.77 115.31 116.30 2fee h LEU 36 Ca 0.05 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2fee h LEU 36 Cb 0.40 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2fee h LEU 36 CO -0.17 -0.45 0.41 0.15 0.09 0.00 0.00 178.44 178.48 2fee h PHE 37 N -0.52 0.62 0.00 1.13 3.57 -0.86 -0.56 116.94 120.32 2fee h PHE 37 Ca 0.06 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 2fee h PHE 37 Cb 0.65 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2fee h PHE 37 CO -0.51 0.33 -0.72 0.52 -2.23 0.00 0.00 178.31 175.71 2fee h MET 38 N 0.62 0.00 -0.07 1.11 2.86 -0.05 -2.89 114.93 116.51 2fee h MET 38 Ca 0.27 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2fee h MET 38 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2fee h MET 38 CO -0.08 0.72 0.02 0.00 1.06 0.00 0.00 176.91 178.62 2fee h ALA 39 N 1.28 0.09 -0.62 6.32 0.00 0.66 -2.09 119.26 124.90 2fee h ALA 39 Ca -0.01 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2fee h ALA 39 Cb 1.29 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 2fee h ALA 39 CO 0.09 -0.29 -0.08 0.00 0.00 0.00 0.00 179.25 178.98 2fee h ALA 40 N 0.80 0.51 -0.57 0.00 0.00 -1.24 -0.49 119.26 118.26 2fee h ALA 40 Ca 0.02 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2fee h ALA 40 Cb 0.25 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2fee h ALA 40 CO 0.00 -0.42 0.03 -0.24 0.00 0.00 0.00 179.25 178.62 2fee h VAL 41 N 0.05 1.26 0.45 0.00 3.04 -1.39 -2.46 116.25 117.20 2fee h VAL 41 Ca 0.31 -1.06 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 2fee h VAL 41 Cb 0.50 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2fee h VAL 41 CO -0.59 0.38 -0.26 0.58 -1.01 0.00 0.00 177.57 176.68 2fee h VAL 42 N 0.89 0.47 -0.47 1.51 2.07 -0.50 -1.20 116.25 119.03 2fee h VAL 42 Ca 0.17 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.78 2fee h VAL 42 Cb 0.48 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.62 2fee h VAL 42 CO 0.02 0.00 -0.27 1.23 0.02 0.00 0.00 177.57 178.57 2fee h GLY 43 N -0.66 -0.04 0.11 2.17 0.00 -1.11 0.65 103.07 104.18 2fee h GLY 43 Ca -0.05 0.35 0.13 0.00 0.00 0.00 0.00 47.33 47.75 2fee h GLY 43 CO 0.07 -0.21 0.16 -0.84 0.00 0.00 0.00 176.54 175.72 2fee h THR 44 N -0.17 0.61 -0.20 4.70 2.02 -1.22 0.63 112.91 119.27 2fee h THR 44 Ca 0.21 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 2fee h THR 44 Cb 0.51 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2fee h THR 44 CO -0.57 0.05 -0.11 -0.07 0.37 0.00 0.00 175.52 175.20 2fee h LEU 45 N 0.28 0.44 -1.07 2.58 3.38 -0.46 -2.12 115.31 118.34 2fee h LEU 45 Ca 0.35 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2fee h LEU 45 Cb 0.55 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2fee h LEU 45 CO -0.43 0.76 0.16 0.58 0.09 0.00 0.00 178.44 179.60 2fee h VAL 46 N 0.12 1.22 0.57 1.22 2.07 -0.10 0.29 116.25 121.64 2fee h VAL 46 Ca 0.04 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2fee h VAL 46 Cb 0.60 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2fee h VAL 46 CO 0.03 0.29 -0.34 1.23 0.02 0.00 0.00 177.57 178.80 2fee h GLY 47 N 0.96 -1.03 0.19 2.17 0.00 0.30 0.16 103.07 105.82 2fee h GLY 47 Ca 0.18 0.42 0.12 0.00 0.00 0.00 0.00 47.33 48.05 2fee h GLY 47 CO -0.01 -0.35 0.18 1.41 0.00 0.00 0.00 176.54 177.77 2fee h LEU 48 N -0.85 0.08 -0.27 3.11 3.38 -1.17 0.41 115.31 120.01 2fee h LEU 48 Ca -0.08 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2fee h LEU 48 Cb 0.68 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2fee h LEU 48 CO 0.08 0.04 0.04 0.00 0.09 0.00 0.00 178.44 178.69 2fee h ALA 49 N 1.49 0.27 -0.39 1.53 0.00 -0.33 0.18 119.26 122.01 2fee h ALA 49 Ca 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2fee h ALA 49 Cb 0.50 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2fee h ALA 49 CO -0.40 -0.38 0.11 0.00 0.00 0.00 0.00 179.25 178.58 2fee h ALA 50 N 1.21 0.51 0.33 0.00 0.00 0.55 0.28 119.26 122.14 2fee h ALA 50 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fee h ALA 50 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2fee h ALA 50 CO -0.18 0.16 -0.50 0.28 0.00 0.00 0.00 179.25 179.01 2fee h VAL 51 N 0.48 0.03 -0.51 0.00 2.07 0.10 0.55 116.25 118.98 2fee h VAL 51 Ca 0.12 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2fee h VAL 51 Cb 0.28 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 2fee h VAL 51 CO -0.00 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.78 2fee h ALA 52 N -0.66 0.63 -0.60 1.67 0.00 -0.41 0.72 119.26 120.61 2fee h ALA 52 Ca -0.03 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2fee h ALA 52 Cb 0.81 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2fee h ALA 52 CO -0.16 -0.20 0.30 0.35 0.00 0.00 0.00 179.25 179.54 2fee h PHE 53 N 0.37 0.55 -0.02 0.00 3.57 -0.23 0.44 116.94 121.63 2fee h PHE 53 Ca 0.25 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.78 2fee h PHE 53 Cb 0.26 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2fee h PHE 53 CO -0.16 0.24 -0.02 0.22 -2.23 0.00 0.00 178.31 176.37 2fee h ASP 54 N 0.56 -0.05 -0.60 0.41 3.58 0.75 -1.35 116.42 119.72 2fee h ASP 54 Ca 0.28 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.78 2fee h ASP 54 Cb 0.22 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 2fee h ASP 54 CO -0.20 -0.03 0.35 0.11 -2.88 0.00 0.00 179.24 176.59 2fee h LYS 55 N -0.02 0.65 0.17 0.28 1.79 -0.66 -1.36 116.57 117.42 2fee h LYS 55 Ca 0.01 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2fee h LYS 55 Cb 0.04 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 2fee h LYS 55 CO -0.03 0.43 -0.35 0.78 -1.08 0.00 0.00 179.45 179.21 2fee h GLY 56 N 0.67 -0.70 0.96 3.86 0.00 -0.48 0.12 103.07 107.51 2fee h GLY 56 Ca 0.25 0.41 0.02 0.00 0.00 0.00 0.00 47.33 48.01 2fee h GLY 56 CO -0.13 -0.26 0.48 -2.08 0.00 0.00 0.00 176.54 174.55 2fee h VAL 57 N -0.60 1.16 0.24 4.60 2.07 -1.09 -1.54 116.25 121.09 2fee h VAL 57 Ca 0.02 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.21 2fee h VAL 57 Cb 0.61 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2fee h VAL 57 CO -0.17 0.18 -0.40 0.00 0.02 0.00 0.00 177.57 177.19 2fee h ALA 58 N 1.29 -0.79 -0.79 1.67 0.00 -0.97 -1.87 119.26 117.80 2fee h ALA 58 Ca 0.28 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.27 2fee h ALA 58 Cb -0.07 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 2fee h ALA 58 CO -0.08 -1.00 0.04 2.35 0.00 0.00 0.00 179.25 180.57 2fee h TRP 59 N -0.72 0.01 -0.00 0.00 7.01 -0.06 -1.65 115.95 120.55 2fee h TRP 59 Ca -0.00 0.06 -0.22 0.00 2.11 0.00 0.00 58.89 60.83 2fee h TRP 59 Cb 0.69 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 2fee h TRP 59 CO -0.30 -0.24 -0.92 -0.07 -2.79 0.00 0.00 178.44 174.12 2fee h LEU 60 N 0.12 0.50 -1.65 0.65 3.38 -1.12 -0.48 115.31 116.71 2fee h LEU 60 Ca 0.44 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2fee h LEU 60 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2fee h LEU 60 CO -0.67 1.20 -0.20 1.56 0.09 0.00 0.00 178.44 180.41 2fee h GLN 61 N 0.22 0.00 0.20 1.13 4.20 -0.87 -2.25 115.11 117.75 2fee h GLN 61 Ca -0.07 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.32 2fee h GLN 61 Cb 1.56 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.36 2fee h GLN 61 CO 0.16 0.20 -1.44 -0.97 -0.67 0.00 0.00 178.83 176.11 2fee h ASN 62 N 0.00 0.67 0.00 1.46 -0.00 -0.84 -2.21 115.58 114.66 2fee h ASN 62 Ca -0.00 -0.74 0.03 0.00 -0.00 0.00 0.00 56.30 55.58 2fee h ASN 62 Cb 0.41 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.47 2fee h ASN 62 CO 0.03 1.59 -0.22 1.56 -0.00 0.00 0.00 177.43 180.38 2fee h GLN 63 N 0.12 -0.34 -0.76 6.67 1.08 -0.93 -0.81 115.11 120.14 2fee h GLN 63 Ca -0.23 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 2fee h GLN 63 Cb 2.10 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 29.56 2fee h GLN 63 CO 0.24 -0.23 0.50 0.00 -0.95 0.00 0.00 178.83 178.39 2fee h ARG 64 N -0.36 0.93 -0.77 1.46 3.08 -1.47 0.11 114.38 117.36 2fee h ARG 64 Ca 0.06 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2fee h ARG 64 Cb 0.43 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2fee h ARG 64 CO -0.20 0.61 0.51 1.98 -1.07 0.00 0.00 179.97 181.80 2fee h MET 65 N 0.96 0.96 0.00 0.04 4.05 -1.02 -2.67 114.93 117.24 2fee h MET 65 Ca 0.29 -0.06 -0.17 0.00 -0.28 0.00 0.00 59.70 59.49 2fee h MET 65 Cb -0.00 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.56 2fee h MET 65 CO -0.08 0.63 -0.80 0.78 0.23 0.00 0.00 176.91 177.67 2fee h GLY 66 N 0.98 0.00 1.40 1.39 0.00 0.47 -3.05 103.07 104.27 2fee h GLY 66 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.39 2fee h GLY 66 CO -0.08 0.00 -0.98 0.00 0.00 0.00 0.00 176.54 175.48 2fee h ALA 67 N 1.20 0.27 0.00 3.60 0.00 -1.24 -2.83 119.26 120.26 2fee h ALA 67 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2fee h ALA 67 Cb 1.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2fee h ALA 67 CO 0.10 0.76 0.00 -0.07 0.00 0.00 0.00 179.25 180.04 2fee h LEU 68 N 0.31 0.00 0.10 0.00 3.38 -1.49 -1.90 115.31 115.71 2fee h LEU 68 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 2fee h LEU 68 Cb 1.62 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.39 2fee h LEU 68 CO 0.18 0.00 -0.66 0.58 0.09 0.00 0.00 178.44 178.63 2fee h VAL 69 N 0.00 1.54 0.00 1.22 2.07 -1.42 -3.00 116.25 116.66 2fee h VAL 69 Ca 0.00 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 2fee h VAL 69 Cb 0.15 3.14 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2fee h VAL 69 CO 0.00 0.68 -0.09 0.45 0.02 0.00 0.00 177.57 178.63 2fee h HIS 70 N -0.43 0.00 -0.29 1.57 3.86 -1.12 -2.79 115.15 115.95 2fee h HIS 70 Ca -0.11 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.89 2fee h HIS 70 Cb 1.49 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.80 2fee h HIS 70 CO 0.20 0.09 -0.60 0.25 0.86 0.00 0.00 177.93 178.73 2fee n THR 71 N -3.82 2.34 0.43 2.45 -2.24 -0.80 -4.85 114.28 107.79 2fee n THR 71 Ca -0.02 -3.59 0.07 0.00 -2.27 0.00 0.00 64.05 58.24 2fee n THR 71 Cb 0.19 -0.57 0.31 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.97 1.59 -1.14 6.98 0.00 -1.05 -4.12 120.51 121.80 2fee n ALA 72 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2fee n ALA 72 Cb 0.80 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.63 0.00 0.00 0.00 5.75 -1.26 -4.85 116.55 114.55 2fee n ASP 73 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2fee n ASP 73 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2fee n ASP 73 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2fee n ASN 74 N 0.00 0.00 0.04 -1.12 4.05 -1.26 -4.82 115.26 112.15 2fee n ASN 74 Ca 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.96 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 -0.63 0.00 1.20 3.20 -1.88 -1.54 116.97 117.32 2fee h TYR 75 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2fee h TYR 75 Cb 0.00 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2fee h TYR 75 CO 0.00 -0.24 -0.01 -1.35 -1.64 0.00 0.00 178.16 174.92 2fee h PRO 76 N -0.30 0.00 -0.46 1.82 0.11 -1.97 -1.75 132.00 129.45 2fee h PRO 76 Ca -0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2fee h PRO 76 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2fee h PRO 76 CO -0.12 0.01 -0.03 1.25 -0.21 0.00 0.00 178.00 178.90 2fee h LEU 77 N 0.00 0.81 -0.30 2.35 5.85 -1.78 -1.37 115.31 120.87 2fee h LEU 77 Ca -0.00 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 2fee h LEU 77 Cb 0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2fee h LEU 77 CO 0.00 0.94 -0.06 0.17 -0.34 0.00 0.00 178.44 179.15 2fee h LEU 78 N 0.67 0.57 -1.95 2.25 8.10 -0.68 -1.38 115.31 122.90 2fee h LEU 78 Ca 0.13 -0.36 0.07 0.00 0.11 0.00 0.00 57.88 57.83 2fee h LEU 78 Cb 0.54 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 2fee h LEU 78 CO 0.03 0.80 0.20 -0.07 -4.11 0.00 0.00 178.44 175.28 2fee h LEU 79 N 0.34 0.06 0.12 0.17 3.38 -1.30 -0.19 115.31 117.89 2fee h LEU 79 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2fee h LEU 79 Cb 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2fee h LEU 79 CO 0.03 0.04 -0.06 0.74 0.09 0.00 0.00 178.44 179.27 2fee h THR 80 N 0.06 0.98 -0.84 0.22 2.02 -1.08 -2.77 112.91 111.50 2fee h THR 80 Ca 0.13 -1.23 0.02 0.00 0.77 0.00 0.00 66.41 66.09 2fee h THR 80 Cb 0.43 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 2fee h THR 80 CO -0.01 0.26 0.56 -0.37 0.37 0.00 0.00 175.52 176.32 2fee h VAL 81 N -0.83 1.19 -0.11 3.16 -1.51 -0.87 0.42 116.25 117.71 2fee h VAL 81 Ca -0.02 -0.38 0.04 0.00 -1.23 0.00 0.00 66.70 65.12 2fee h VAL 81 Cb 0.55 -0.01 -0.05 0.00 -2.13 0.00 0.00 31.29 29.64 2fee h VAL 81 CO 0.03 0.20 -0.24 0.00 -1.23 0.00 0.00 177.57 176.33 2fee h ALA 82 N 1.49 -0.23 0.29 5.19 0.00 -1.14 -1.20 119.26 123.64 2fee h ALA 82 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2fee h ALA 82 Cb -0.09 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2fee h ALA 82 CO -0.08 -0.71 -0.45 0.35 0.00 0.00 0.00 179.25 178.37 2fee h PHE 83 N -0.32 -1.25 -0.09 0.00 3.04 -1.04 -3.08 116.94 114.20 2fee h PHE 83 Ca 0.09 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 2fee h PHE 83 Cb 0.45 0.51 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2fee h PHE 83 CO -0.33 -0.57 -0.29 -0.07 -2.02 0.00 0.00 178.31 175.03 2fee h LEU 84 N -0.80 0.16 -0.16 0.59 3.38 0.03 0.56 115.31 119.07 2fee h LEU 84 Ca -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2fee h LEU 84 Cb 0.75 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2fee h LEU 84 CO -0.16 0.46 -0.18 0.00 0.09 0.00 0.00 178.44 178.65 2fee h SER 86 N 0.05 -0.27 -0.25 0.00 0.02 -1.38 0.20 113.55 111.92 2fee h SER 86 Ca 0.02 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2fee h SER 86 Cb 0.72 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 2fee h SER 86 CO 0.04 -0.16 -0.23 0.00 -1.14 0.00 0.00 176.83 175.34 2fee h ALA 87 N 0.41 -0.40 -0.85 3.77 0.00 0.09 0.12 119.26 122.40 2fee h ALA 87 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2fee h ALA 87 Cb 0.27 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2fee h ALA 87 CO 0.05 -0.53 0.50 0.28 0.00 0.00 0.00 179.25 179.55 2fee h VAL 88 N -0.11 0.94 -0.25 0.00 2.07 -0.73 0.29 116.25 118.46 2fee h VAL 88 Ca 0.04 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2fee h VAL 88 Cb 0.22 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2fee h VAL 88 CO -0.30 0.16 -0.16 -0.07 0.02 0.00 0.00 177.57 177.22 2fee h LEU 89 N 0.85 0.58 0.13 2.57 3.38 -0.80 -1.68 115.31 120.34 2fee h LEU 89 Ca 0.40 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2fee h LEU 89 Cb 0.32 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2fee h LEU 89 CO -0.23 0.89 -0.43 0.00 0.09 0.00 0.00 178.44 178.76 2fee h ALA 90 N 0.71 -0.78 -0.35 1.53 0.00 -0.08 -0.86 119.26 119.42 2fee h ALA 90 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2fee h ALA 90 Cb 0.69 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 2fee h ALA 90 CO 0.05 -1.01 -0.54 0.52 0.00 0.00 0.00 179.25 178.27 2fee h MET 91 N -0.67 -0.42 -1.12 0.00 2.86 -1.01 0.15 114.93 114.72 2fee h MET 91 Ca 0.02 0.03 0.32 0.00 -2.06 0.00 0.00 59.70 58.00 2fee h MET 91 Cb 0.69 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 2fee h MET 91 CO -0.24 -0.28 0.79 0.35 1.06 0.00 0.00 176.91 178.59 2fee h PHE 92 N -0.43 0.11 0.10 -0.22 3.04 -0.76 0.92 116.94 119.70 2fee h PHE 92 Ca 0.07 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 2fee h PHE 92 Cb 0.62 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.09 2fee h PHE 92 CO -0.68 0.01 -0.05 0.78 -2.02 0.00 0.00 178.31 176.34 2fee h GLY 93 N 0.06 -0.15 0.48 2.40 0.00 0.61 -2.90 103.07 103.57 2fee h GLY 93 Ca 0.55 0.05 0.15 0.00 0.00 0.00 0.00 47.33 48.08 2fee h GLY 93 CO -0.06 -0.05 0.59 -0.97 0.00 0.00 0.00 176.54 176.05 2fee h TYR 94 N -0.99 0.86 0.00 5.60 -1.99 -0.12 -2.49 116.97 117.84 2fee h TYR 94 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2fee h TYR 94 Cb 0.39 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.85 2fee h TYR 94 CO 0.07 0.31 0.00 0.34 -0.00 0.00 0.00 178.16 178.88 2fee n PHE 95 N -4.58 0.00 -0.34 4.88 -0.00 0.24 -1.11 117.46 116.54 2fee n PHE 95 Ca 0.18 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.91 2fee n PHE 95 Cb 0.47 -0.38 0.45 0.00 -0.00 0.00 0.00 39.48 40.03 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 -1.63 0.09 0.03 -2.13 7.99 -1.10 -0.39 117.00 119.86 2fee n LEU 96 Ca 0.00 0.78 -0.04 0.00 -0.01 0.00 0.00 56.01 56.74 2fee n LEU 96 Cb 0.00 -0.39 -0.03 0.00 -0.11 0.00 0.00 43.42 42.90 2fee n LEU 96 CO 0.00 -0.83 0.12 0.58 -1.51 0.00 0.00 177.39 175.75 2fee h VAL 97 N 0.00 0.15 -0.54 4.08 2.07 -1.31 -2.88 116.25 117.81 2fee h VAL 97 Ca 0.56 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2fee h VAL 97 Cb 1.96 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2fee h VAL 97 CO -0.20 0.05 0.29 0.03 0.02 0.00 0.00 177.57 177.76 2fee h ARG 98 N -1.04 0.55 0.00 1.57 2.47 0.76 -0.39 114.38 118.29 2fee h ARG 98 Ca -0.02 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 2fee h ARG 98 Cb 0.23 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2fee h ARG 98 CO 0.03 0.36 -0.71 -0.22 0.56 0.00 0.00 179.97 179.99 2fee h LYS 99 N 0.57 0.00 0.00 0.04 1.63 -0.88 -3.41 116.57 114.51 2fee h LYS 99 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2fee h LYS 99 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2fee h LYS 99 CO -0.14 0.71 -0.08 0.66 -3.45 0.00 0.00 179.45 177.15 2fee n TYR 100 N -3.56 0.00 -2.83 1.91 4.02 -1.09 -5.01 117.16 110.61 2fee n TYR 100 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 2fee n TYR 100 Cb 0.73 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.06 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 -0.45 -3.64 0.48 -0.72 0.00 -0.23 -4.83 121.76 112.37 2fee s ALA 101 Ca 0.00 0.57 0.22 0.00 0.00 0.00 0.00 51.96 52.75 2fee s ALA 101 Cb 0.00 -2.90 1.35 0.00 0.00 0.00 0.00 23.12 21.57 2fee s ALA 101 CO 0.00 -2.41 2.10 -1.35 0.00 0.00 0.00 175.76 174.10 2fee h PRO 102 N 5.30 0.00 -0.40 0.00 0.11 -1.62 -2.34 132.00 133.05 2fee h PRO 102 Ca 0.01 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2fee h PRO 102 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2fee h PRO 102 CO -0.04 0.10 0.27 1.05 -0.21 0.00 0.00 178.00 179.17 2fee h GLU 103 N 0.00 0.29 -0.94 1.05 4.11 -1.95 -2.39 114.58 114.76 2fee h GLU 103 Ca -0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 2fee h GLU 103 Cb 0.21 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 2fee h GLU 103 CO 0.01 0.19 0.18 0.00 0.07 0.00 0.00 179.01 179.47 2fee n ALA 104 N -2.53 3.55 -2.31 1.06 0.00 -0.88 -4.77 120.51 114.63 2fee n ALA 104 Ca 0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 53.44 52.23 2fee n ALA 104 Cb 0.25 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.07 1.68 0.00 0.00 0.00 -0.90 -4.52 107.32 103.50 2fee s GLY 105 Ca 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.54 2fee s GLY 105 CO 0.05 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.48 2fee n GLY 106 N -1.82 1.53 0.00 0.20 0.00 -0.45 -4.30 105.19 100.35 2fee n GLY 106 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.14 0.00 0.00 1.61 2.88 -1.26 -0.47 113.62 115.24 2fee n SER 107 Ca 0.00 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2fee n SER 107 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.24 0.56 0.16 0.46 0.00 -1.26 -4.02 105.19 101.33 2fee n GLY 108 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.29 -0.43 -0.61 2.04 -1.93 -2.54 117.51 115.33 2fee h ILE 109 Ca 0.00 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.64 2fee h ILE 109 Cb 0.00 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2fee h ILE 109 CO 0.00 0.33 -0.32 1.55 0.00 0.00 0.00 178.15 179.72 2fee h PRO 110 N 0.20 0.96 -0.95 2.37 0.13 -1.94 0.39 132.00 133.16 2fee h PRO 110 Ca 0.06 -0.47 0.22 0.00 -0.87 0.00 0.00 66.00 64.94 2fee h PRO 110 Cb 0.53 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.54 2fee h PRO 110 CO 0.02 1.13 0.52 1.49 -0.23 0.00 0.00 178.00 180.94 2fee h GLU 111 N 0.80 0.55 0.15 0.86 4.57 -1.92 0.26 114.58 119.86 2fee h GLU 111 Ca 0.08 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.94 2fee h GLU 111 Cb 0.90 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2fee h GLU 111 CO 0.08 0.36 -1.33 0.82 -1.18 0.00 0.00 179.01 177.77 2fee h ILE 112 N 0.57 1.41 -0.78 2.32 1.08 -0.72 -2.56 117.51 118.83 2fee h ILE 112 Ca 0.59 -2.96 0.06 0.00 -0.39 0.00 0.00 64.86 62.15 2fee h ILE 112 Cb 1.05 2.94 -0.06 0.00 -3.07 0.00 0.00 36.82 37.68 2fee h ILE 112 CO -0.46 0.87 0.47 -0.33 -0.69 0.00 0.00 178.15 178.01 2fee h GLU 113 N 0.09 0.85 0.36 2.37 5.08 0.66 -1.20 114.58 122.78 2fee h GLU 113 Ca -0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2fee h GLU 113 Cb 2.02 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.08 2fee h GLU 113 CO 0.21 0.56 -0.18 0.78 -1.00 0.00 0.00 179.01 179.39 2fee h GLY 114 N 0.87 -0.51 -0.04 -3.84 0.00 -0.55 -2.66 103.07 96.34 2fee h GLY 114 Ca 0.34 0.19 0.26 0.00 0.00 0.00 0.00 47.33 48.12 2fee h GLY 114 CO -0.17 -0.19 0.67 0.00 0.00 0.00 0.00 176.54 176.86 2fee h ALA 115 N 0.16 2.37 -0.31 3.60 0.00 -0.96 0.34 119.26 124.47 2fee h ALA 115 Ca -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2fee h ALA 115 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2fee h ALA 115 CO 0.08 -0.74 -0.14 -0.07 0.00 0.00 0.00 179.25 178.39 2fee h LEU 116 N 0.32 0.52 -0.28 0.00 3.38 -0.89 -1.80 115.31 116.56 2fee h LEU 116 Ca 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2fee h LEU 116 Cb 1.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2fee h LEU 116 CO -0.21 0.69 0.00 -0.62 0.09 0.00 0.00 178.44 178.38 2fee n GLU 117 N -4.19 1.19 -3.42 1.13 -0.58 0.12 -4.80 120.64 110.09 2fee n GLU 117 Ca 0.01 -0.28 -0.24 0.00 -0.42 0.00 0.00 57.16 56.23 2fee n GLU 117 Cb 0.34 -1.38 0.06 0.00 -0.57 0.00 0.00 31.44 29.89 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 -0.56 -6.21 0.00 1.62 8.00 -0.68 -4.92 116.55 113.80 2fee n ASP 118 Ca 0.17 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.21 2fee n ASP 118 Cb 0.15 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.31 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 -4.66 0.44 -3.82 -1.24 1.13 -0.92 -5.00 117.38 103.31 2fee n GLN 119 Ca -0.03 -0.85 -0.12 0.00 -1.94 0.00 0.00 57.00 54.06 2fee n GLN 119 Cb 0.58 -0.99 -0.09 0.00 0.11 0.00 0.00 30.24 29.85 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 -0.36 0.59 0.24 -1.09 1.81 -1.25 -4.86 118.95 114.03 2fee s ARG 120 Ca 0.00 -0.34 -0.10 0.00 -1.72 0.00 0.00 55.73 53.57 2fee s ARG 120 Cb 0.00 0.25 -0.07 0.00 -0.45 0.00 0.00 34.95 34.68 2fee s ARG 120 CO 0.00 -0.16 0.57 -1.25 -0.68 0.00 0.00 175.30 173.78 2fee s PRO 121 N -1.51 3.81 -1.01 3.54 0.05 -1.26 -4.35 135.00 134.27 2fee s PRO 121 Ca -0.13 0.30 -0.03 0.00 0.05 0.00 0.00 61.00 61.19 2fee s PRO 121 Cb -0.06 -2.62 0.29 0.00 0.05 0.00 0.00 34.50 32.16 2fee s PRO 121 CO 0.02 0.29 1.29 0.28 0.05 0.00 0.00 177.00 178.94 2fee n VAL 122 N -0.20 4.70 -2.31 -0.36 0.31 -1.26 -4.97 118.33 114.24 2fee n VAL 122 Ca 0.01 -5.72 -0.35 0.00 -0.01 0.00 0.00 64.34 58.27 2fee n VAL 122 Cb 0.53 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 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 -2.47 3.18 -0.01 5.55 0.52 -1.26 -4.77 118.95 119.68 2fee s ARG 123 Ca 0.32 -1.41 -0.24 0.00 -0.52 0.00 0.00 55.73 53.88 2fee s ARG 123 Cb 0.04 -5.35 -0.16 0.00 0.52 0.00 0.00 34.95 29.99 2fee s ARG 123 CO 0.05 -3.10 1.13 0.11 0.02 0.00 0.00 175.30 173.50 2fee h TRP 124 N 9.04 -0.31 -0.81 -0.53 5.08 -1.93 -0.76 115.95 125.73 2fee h TRP 124 Ca 0.29 -0.01 0.24 0.00 1.08 0.00 0.00 58.89 60.49 2fee h TRP 124 Cb 0.92 0.10 -0.03 0.00 -3.00 0.00 0.00 29.16 27.15 2fee h TRP 124 CO 1.30 0.06 0.66 -2.67 -1.28 0.00 0.00 178.44 176.51 2fee n TRP 125 N -5.05 0.00 -0.10 0.12 2.14 -1.26 -1.58 117.44 111.70 2fee n TRP 125 Ca -0.09 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.33 2fee n TRP 125 Cb 0.26 -0.20 -0.05 0.00 -0.81 0.00 0.00 31.31 30.51 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 -2.70 0.54 0.34 -2.67 1.74 -0.88 -4.67 116.66 108.36 2fee n ARG 126 Ca 0.18 0.25 -0.17 0.00 -0.77 0.00 0.00 57.85 57.35 2fee n ARG 126 Cb 0.90 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.00 0.33 0.00 1.55 2.07 -0.13 -2.02 116.25 117.05 2fee h VAL 127 Ca -0.21 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2fee h VAL 127 Cb 1.16 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2fee h VAL 127 CO -0.13 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.67 2fee n LEU 128 N -5.41 0.00 -0.01 2.57 4.77 -0.92 0.14 117.00 118.14 2fee n LEU 128 Ca -0.13 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 2fee n LEU 128 Cb 0.36 -0.19 0.54 0.00 -2.33 0.00 0.00 43.42 41.80 2fee n LEU 128 CO 0.35 -0.19 1.17 1.55 -1.33 0.00 0.00 177.39 178.94 2fee h PRO 129 N 0.00 0.30 -0.02 3.23 0.13 -1.79 -2.07 132.00 131.78 2fee h PRO 129 Ca 0.00 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2fee h PRO 129 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.07 2fee h PRO 129 CO 0.00 0.20 -0.20 0.28 -0.23 0.00 0.00 178.00 178.05 2fee h VAL 130 N 0.31 1.51 -0.07 1.56 2.07 0.14 -2.78 116.25 118.98 2fee h VAL 130 Ca 0.21 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 2fee h VAL 130 Cb 0.44 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2fee h VAL 130 CO -0.05 0.49 0.00 0.50 0.02 0.00 0.00 177.57 178.53 2fee h LYS 131 N -0.45 0.13 0.00 1.57 1.63 0.12 0.52 116.57 120.09 2fee h LYS 131 Ca -0.02 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2fee h LYS 131 Cb 0.90 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2fee h LYS 131 CO 0.04 0.38 0.00 0.34 -3.45 0.00 0.00 179.45 176.76 2fee n PHE 132 N -4.86 0.00 0.26 1.91 -0.00 -0.78 0.67 117.46 114.65 2fee n PHE 132 Ca -0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.50 2fee n PHE 132 Cb 0.18 -0.08 0.70 0.00 -0.00 0.00 0.00 39.48 40.28 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 -0.08 -5.13 0.04 -1.58 0.13 116.94 110.32 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 -0.09 0.13 -0.01 0.78 -0.60 0.00 0.00 178.31 178.52 2fee h GLY 134 N 0.89 0.15 0.67 -1.45 0.00 0.15 -2.75 103.07 100.73 2fee h GLY 134 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2fee h GLY 134 CO 0.02 0.11 -0.05 -1.33 0.00 0.00 0.00 176.54 175.29 2fee h GLY 135 N -0.17 -0.13 -1.84 4.60 0.00 1.00 -2.09 103.07 104.44 2fee h GLY 135 Ca 0.02 0.05 0.55 0.00 0.00 0.00 0.00 47.33 47.95 2fee h GLY 135 CO 0.01 -0.05 1.31 1.04 0.00 0.00 0.00 176.54 178.84 2fee n LEU 136 N -4.99 0.04 -0.06 3.11 4.32 0.37 0.32 117.00 120.11 2fee n LEU 136 Ca -0.08 1.04 -0.12 0.00 -0.02 0.00 0.00 56.01 56.83 2fee n LEU 136 Cb 0.20 -0.52 -0.11 0.00 -1.62 0.00 0.00 43.42 41.37 2fee n LEU 136 CO 0.33 -1.06 0.36 1.23 -1.22 0.00 0.00 177.39 177.02 2fee h GLY 137 N 0.00 -0.01 0.99 -0.72 0.00 -1.08 -2.73 103.07 99.53 2fee h GLY 137 Ca 0.91 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 48.07 2fee h GLY 137 CO -0.09 -0.00 -0.63 -0.91 0.00 0.00 0.00 176.54 174.91 2fee h THR 138 N -0.96 1.33 0.04 4.70 1.35 0.02 -2.86 112.91 116.53 2fee h THR 138 Ca -0.00 -1.91 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2fee h THR 138 Cb 0.83 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 2fee h THR 138 CO 0.00 0.58 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.77 2fee h LEU 139 N 0.27 -0.04 0.00 3.87 3.38 -0.33 -1.96 115.31 120.50 2fee h LEU 139 Ca -0.05 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2fee h LEU 139 Cb 1.27 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2fee h LEU 139 CO 0.13 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2fee n GLY 140 N 0.60 -0.53 0.94 0.83 0.00 -1.03 -0.05 105.19 105.95 2fee n GLY 140 Ca -0.09 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.27 0.94 1.27 -0.02 0.00 -1.08 -3.32 105.19 101.72 2fee n GLY 141 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.90 3.79 -0.02 0.00 0.93 -3.77 105.19 108.36 2fee n GLY 142 Ca 0.14 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.20 4.13 -0.60 1.61 -1.94 -0.74 -3.09 119.30 115.47 2fee s MET 143 Ca 0.00 1.37 -0.05 0.00 -1.71 0.00 0.00 55.69 55.29 2fee s MET 143 Cb 0.00 -2.37 -0.10 0.00 2.01 0.00 0.00 34.83 34.37 2fee s MET 143 CO 0.00 -0.15 2.29 0.28 -0.01 0.00 0.00 175.02 177.43 2fee n VAL 144 N -0.37 2.33 -4.20 -6.03 0.31 -1.26 -4.16 118.33 104.95 2fee n VAL 144 Ca 0.06 -1.32 -0.17 0.00 -0.01 0.00 0.00 64.34 62.91 2fee n VAL 144 Cb 0.51 -2.03 -0.11 0.00 -0.91 0.00 0.00 33.84 31.30 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 0.06 2.38 0.00 7.52 1.43 -1.26 -4.73 118.68 124.08 2fee s LEU 145 Ca 0.42 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2fee s LEU 145 Cb 0.14 -0.45 0.03 0.00 0.03 0.00 0.00 46.19 45.95 2fee s LEU 145 CO -0.02 -0.18 0.20 0.61 0.23 0.00 0.00 176.35 177.18 2fee n GLY 146 N 0.67 -0.11 0.00 -3.19 0.00 -0.55 -4.61 105.19 97.40 2fee n GLY 146 Ca -0.17 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.39 0.72 0.15 1.61 1.74 -1.26 -3.49 116.66 114.74 2fee n ARG 147 Ca 0.03 -0.09 -0.14 0.00 -0.77 0.00 0.00 57.85 56.88 2fee n ARG 147 Cb 0.10 -1.42 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 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 -0.33 0.00 5.56 3.07 -1.90 0.17 114.58 121.15 2fee h GLU 148 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2fee h GLU 148 Cb 0.66 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2fee h GLU 148 CO 0.00 -0.14 0.00 0.41 -1.40 0.00 0.00 179.01 177.88 2fee n GLY 149 N -0.92 -0.61 0.37 -3.84 0.00 -1.26 0.10 105.19 99.03 2fee n GLY 149 Ca -0.09 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2fee n GLY 149 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2fee n PRO 150 N -0.22 -0.28 0.04 1.61 -0.02 -1.21 -1.83 135.00 133.11 2fee n PRO 150 Ca 0.00 1.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.92 2fee n PRO 150 Cb 0.00 -2.15 0.26 0.00 -0.02 0.00 0.00 33.50 31.59 2fee n PRO 150 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2fee h THR 151 N 0.00 1.24 -0.00 3.45 1.35 -0.25 0.24 112.91 118.94 2fee h THR 151 Ca 0.28 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2fee h THR 151 Cb 0.52 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2fee h THR 151 CO -0.93 0.35 -0.00 0.58 -0.25 0.00 0.00 175.52 175.26 2fee h VAL 152 N 0.37 1.38 0.72 6.82 2.07 0.15 0.12 116.25 127.88 2fee h VAL 152 Ca 0.06 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 2fee h VAL 152 Cb 0.55 2.15 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2fee h VAL 152 CO 0.04 0.29 -0.35 -0.61 0.02 0.00 0.00 177.57 176.97 2fee h GLN 153 N -0.47 -0.93 -1.22 1.57 4.15 -1.44 -0.22 115.11 116.54 2fee h GLN 153 Ca 0.00 0.06 0.39 0.00 0.77 0.00 0.00 58.65 59.88 2fee h GLN 153 Cb 0.48 0.21 -0.13 0.00 0.21 0.00 0.00 27.48 28.26 2fee h GLN 153 CO 0.00 -0.62 0.78 0.82 -1.93 0.00 0.00 178.83 177.88 2fee h ILE 154 N -1.04 0.21 -0.10 2.39 2.04 -0.56 0.20 117.51 120.66 2fee h ILE 154 Ca -0.10 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2fee h ILE 154 Cb 0.74 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2fee h ILE 154 CO 0.16 0.03 -0.05 1.23 0.00 0.00 0.00 178.15 179.52 2fee h GLY 155 N 0.16 0.22 0.92 5.37 0.00 -0.35 -1.57 103.07 107.82 2fee h GLY 155 Ca 0.77 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.91 2fee h GLY 155 CO -0.43 0.18 0.09 -1.33 0.00 0.00 0.00 176.54 175.05 2fee h GLY 156 N -0.16 0.23 0.89 4.60 0.00 0.12 -2.33 103.07 106.42 2fee h GLY 156 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2fee h GLY 156 CO 0.01 0.05 0.61 3.43 0.00 0.00 0.00 176.54 180.65 2fee h ASN 157 N 0.19 1.02 -0.97 0.19 4.21 -1.31 0.34 115.58 119.26 2fee h ASN 157 Ca 0.07 -0.01 0.08 0.00 1.21 0.00 0.00 56.30 57.65 2fee h ASN 157 Cb 0.02 -0.23 -0.07 0.00 -1.12 0.00 0.00 38.32 36.92 2fee h ASN 157 CO -0.05 0.70 0.62 0.40 -1.29 0.00 0.00 177.43 177.81 2fee h ILE 158 N 1.19 1.05 -0.11 2.81 1.08 -1.10 0.95 117.51 123.38 2fee h ILE 158 Ca 0.37 -0.37 -0.17 0.00 -0.39 0.00 0.00 64.86 64.29 2fee h ILE 158 Cb -0.01 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.61 2fee h ILE 158 CO -0.12 0.20 -0.67 1.23 -0.69 0.00 0.00 178.15 178.10 2fee h GLY 159 N 1.08 0.48 0.79 5.37 0.00 -0.58 -2.06 103.07 108.16 2fee h GLY 159 Ca 0.43 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2fee h GLY 159 CO -0.18 0.57 -0.15 -0.09 0.00 0.00 0.00 176.54 176.69 2fee h ARG 160 N 0.31 -0.40 -0.79 4.80 9.65 0.71 -2.67 114.38 126.00 2fee h ARG 160 Ca -0.02 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.00 2fee h ARG 160 Cb 1.23 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 29.82 2fee h ARG 160 CO 0.12 -0.13 0.41 1.98 2.80 0.00 0.00 179.97 185.14 2fee h MET 161 N -0.63 0.63 0.00 0.20 4.05 1.00 0.56 114.93 120.74 2fee h MET 161 Ca -0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2fee h MET 161 Cb 0.45 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2fee h MET 161 CO 0.07 0.42 -0.11 1.33 0.23 0.00 0.00 176.91 178.84 2fee n VAL 162 N -4.84 0.37 -0.04 -5.77 0.24 -0.78 -0.48 118.33 107.02 2fee n VAL 162 Ca 0.14 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 2fee n VAL 162 Cb 0.34 -0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 32.17 2fee n VAL 162 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2fee h LEU 163 N 0.00 0.24 0.00 1.34 5.85 -0.82 -2.96 115.31 118.96 2fee h LEU 163 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2fee h LEU 163 Cb 0.66 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2fee h LEU 163 CO 0.00 0.75 0.00 0.47 -0.34 0.00 0.00 178.44 179.32 2fee n ASP 164 N -4.62 0.00 -0.53 1.25 10.43 0.06 -0.89 116.55 122.24 2fee n ASP 164 Ca -0.08 0.64 0.41 0.00 2.57 0.00 0.00 54.79 58.33 2fee n ASP 164 Cb 0.37 -0.14 0.63 0.00 1.84 0.00 0.00 41.12 43.82 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 -0.92 0.00 0.38 0.53 5.41 0.37 0.18 119.36 125.31 2fee n ILE 165 Ca 0.00 1.21 0.07 0.00 1.00 0.00 0.00 62.75 65.03 2fee n ILE 165 Cb 0.00 -2.03 0.10 0.00 -0.71 0.00 0.00 39.64 37.00 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 -3.49 0.17 -4.00 1.39 3.72 -1.12 -5.00 117.46 109.13 2fee n PHE 166 Ca 0.34 -0.14 -0.31 0.00 -0.05 0.00 0.00 57.45 57.29 2fee n PHE 166 Cb 1.62 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 40.16 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 0.83 -4.70 -2.29 -1.08 1.74 0.47 -4.91 116.66 106.72 2fee n ARG 167 Ca 0.10 0.52 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 2fee n ARG 167 Cb 0.40 -5.31 -0.03 0.00 -1.02 0.00 0.00 32.46 26.50 2fee n ARG 167 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2fee s LEU 168 N -7.23 4.42 -0.05 0.55 1.43 -0.43 -5.01 118.68 112.37 2fee s LEU 168 Ca 0.61 2.30 0.02 0.00 -1.03 0.00 0.00 54.13 56.04 2fee s LEU 168 Cb -0.32 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 2fee s LEU 168 CO 0.86 -0.47 -0.09 -0.75 0.23 0.00 0.00 176.35 176.13 2fee s LYS 169 N -0.01 2.62 0.00 1.70 2.20 -1.26 -4.89 119.74 120.10 2fee s LYS 169 Ca 0.56 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2fee s LYS 169 Cb -0.34 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 2fee s LYS 169 CO 0.36 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.40 2fee n GLY 170 N 2.10 3.68 0.27 5.54 0.00 -1.26 -4.64 105.19 110.89 2fee n GLY 170 Ca -0.17 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 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 1.02 0.01 1.61 3.45 -1.97 -2.94 116.42 117.61 2fee h ASP 171 Ca 0.00 -0.43 -0.00 0.00 0.43 0.00 0.00 57.03 57.03 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 1.23 -0.02 -0.08 -1.57 0.00 0.00 179.24 178.80 2fee h GLU 172 N 0.81 -0.03 0.00 3.56 4.81 -1.91 0.11 114.58 121.93 2fee h GLU 172 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2fee h GLU 172 Cb 0.89 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2fee h GLU 172 CO 0.08 -0.02 0.42 0.00 -0.73 0.00 0.00 179.01 178.76 2fee h ALA 173 N -1.65 1.36 0.04 2.92 0.00 -1.82 0.29 119.26 120.40 2fee h ALA 173 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 2fee h ALA 173 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2fee h ALA 173 CO -0.01 -0.36 -2.22 -2.13 0.00 0.00 0.00 179.25 174.53 2fee n ARG 174 N -2.41 0.69 0.06 0.00 0.63 -1.00 -3.53 116.66 111.08 2fee n ARG 174 Ca -0.01 0.18 -0.20 0.00 -0.92 0.00 0.00 57.85 56.89 2fee n ARG 174 Cb 0.45 -1.61 -0.15 0.00 0.45 0.00 0.00 32.46 31.60 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 0.02 0.58 0.11 -0.14 3.86 0.58 -3.22 115.15 116.94 2fee h HIS 175 Ca -0.49 -0.42 -0.00 0.00 -1.16 0.00 0.00 60.37 58.30 2fee h HIS 175 Cb 2.01 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.45 2fee h HIS 175 CO 0.04 1.33 -0.16 1.15 0.86 0.00 0.00 177.93 181.14 2fee h THR 176 N -0.34 0.00 0.00 2.45 2.02 -0.69 -0.54 112.91 115.81 2fee h THR 176 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2fee h THR 176 Cb 1.68 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2fee h THR 176 CO 0.16 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.98 2fee h LEU 177 N -0.29 0.00 0.24 2.58 3.38 -1.76 0.20 115.31 119.67 2fee h LEU 177 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 2fee h LEU 177 Cb 0.26 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.05 2fee h LEU 177 CO -0.05 0.00 -1.43 0.25 0.09 0.00 0.00 178.44 177.31 2fee h LEU 178 N 0.00 0.80 -0.02 1.67 5.85 -1.54 -3.24 115.31 118.84 2fee h LEU 178 Ca 0.00 -0.92 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 2fee h LEU 178 Cb 0.06 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2fee h LEU 178 CO 0.00 1.69 -0.11 0.00 -0.34 0.00 0.00 178.44 179.67 2fee h ALA 179 N 0.14 0.04 -0.63 1.25 0.00 0.80 -2.51 119.26 118.34 2fee h ALA 179 Ca -0.25 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.32 2fee h ALA 179 Cb 2.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 2fee h ALA 179 CO 0.26 -0.04 0.37 1.79 0.00 0.00 0.00 179.25 181.64 2fee h THR 180 N -0.51 1.04 -0.96 0.00 1.35 -0.91 0.26 112.91 113.18 2fee h THR 180 Ca -0.01 -0.25 0.12 0.00 -0.55 0.00 0.00 66.41 65.73 2fee h THR 180 Cb 0.79 0.25 -0.09 0.00 -1.73 0.00 0.00 68.15 67.38 2fee h THR 180 CO 0.02 0.13 0.58 1.23 -0.25 0.00 0.00 175.52 177.24 2fee h GLY 181 N 0.72 1.57 1.81 5.82 0.00 -1.62 0.19 103.07 111.56 2fee h GLY 181 Ca 0.26 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 2fee h GLY 181 CO -0.13 0.12 -0.73 0.00 0.00 0.00 0.00 176.54 175.80 2fee h ALA 182 N 1.53 0.72 0.36 3.60 0.00 -0.36 -2.49 119.26 122.63 2fee h ALA 182 Ca 0.48 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2fee h ALA 182 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2fee h ALA 182 CO -0.28 0.83 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 2fee h ALA 183 N 1.12 -0.54 -1.83 0.00 0.00 -0.03 -2.71 119.26 115.27 2fee h ALA 183 Ca -0.02 -0.11 0.53 0.00 0.00 0.00 0.00 54.91 55.31 2fee h ALA 183 Cb 1.29 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 2fee h ALA 183 CO 0.11 -0.51 1.33 0.00 0.00 0.00 0.00 179.25 180.18 2fee n ALA 184 N -2.64 1.76 -0.00 0.00 0.00 0.63 0.44 120.51 120.70 2fee n ALA 184 Ca -0.06 0.60 -0.18 0.00 0.00 0.00 0.00 53.44 53.80 2fee n ALA 184 Cb 0.19 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 2fee n ALA 184 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2fee h GLY 185 N 0.00 0.76 0.51 0.00 0.00 -1.23 -1.14 103.07 101.98 2fee h GLY 185 Ca 0.87 -1.18 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2fee h GLY 185 CO -0.01 1.04 -0.35 -2.00 0.00 0.00 0.00 176.54 175.22 2fee h LEU 186 N 0.36 0.29 -0.27 3.11 5.85 0.30 -3.06 115.31 121.90 2fee h LEU 186 Ca -0.08 -0.80 0.04 0.00 0.84 0.00 0.00 57.88 57.88 2fee h LEU 186 Cb 1.45 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 2fee h LEU 186 CO 0.16 1.06 -0.54 0.00 -0.34 0.00 0.00 178.44 178.78 2fee h ALA 187 N 0.24 -0.80 0.00 1.25 0.00 -0.89 0.12 119.26 119.18 2fee h ALA 187 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fee h ALA 187 Cb 1.12 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2fee h ALA 187 CO 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 179.25 178.27 2fee n ALA 188 N -3.04 1.44 0.19 0.00 0.00 -0.43 -0.09 120.51 118.58 2fee n ALA 188 Ca -0.05 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2fee n ALA 188 Cb 0.36 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.70 2fee n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee h ALA 189 N 2.33 0.52 0.00 0.00 0.00 -0.67 -3.39 119.26 118.05 2fee h ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fee h ALA 189 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2fee h ALA 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2fee n PHE 190 N -2.59 0.00 -3.46 0.00 0.99 -0.78 -4.89 117.46 106.74 2fee n PHE 190 Ca 0.01 -0.02 -0.25 0.00 -0.00 0.00 0.00 57.45 57.19 2fee n PHE 190 Cb 0.53 -0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.04 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 -0.02 -5.42 -3.70 4.37 5.15 0.87 -4.93 115.26 111.57 2fee n ASN 191 Ca 0.00 -0.50 -0.28 0.00 -0.60 0.00 0.00 54.58 53.21 2fee n ASN 191 Cb 0.19 -4.35 -0.11 0.00 -0.53 0.00 0.00 39.78 34.98 2fee n ASN 191 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fee n ALA 192 N -4.20 3.55 -0.03 5.20 0.00 -0.83 -4.97 120.51 119.24 2fee n ALA 192 Ca -0.02 -4.48 -0.11 0.00 0.00 0.00 0.00 53.44 48.82 2fee n ALA 192 Cb 0.57 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 2fee n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2fee h PRO 193 N 4.99 -0.41 -0.65 0.00 0.13 -1.93 -1.68 132.00 132.45 2fee h PRO 193 Ca 0.17 0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.35 2fee h PRO 193 Cb 0.74 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2fee h PRO 193 CO 0.72 -0.27 0.42 -0.07 -0.23 0.00 0.00 178.00 178.57 2fee h LEU 194 N -0.42 0.70 -0.77 1.56 3.38 -1.94 -2.06 115.31 115.76 2fee h LEU 194 Ca 0.10 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2fee h LEU 194 Cb 0.59 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2fee h LEU 194 CO -0.42 0.50 0.47 0.00 0.09 0.00 0.00 178.44 179.08 2fee h ALA 195 N 1.26 1.03 -0.06 1.53 0.00 -1.70 0.18 119.26 121.49 2fee h ALA 195 Ca 0.25 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2fee h ALA 195 Cb -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2fee h ALA 195 CO -0.08 0.22 -0.36 0.78 0.00 0.00 0.00 179.25 179.81 2fee h GLY 196 N 0.88 -1.24 1.01 0.00 0.00 -0.62 0.89 103.07 103.99 2fee h GLY 196 Ca 0.32 0.67 -0.01 0.00 0.00 0.00 0.00 47.33 48.32 2fee h GLY 196 CO -0.15 -0.33 0.44 -2.22 0.00 0.00 0.00 176.54 174.29 2fee h ILE 197 N -0.41 1.22 -0.48 2.60 2.04 -1.07 -2.55 117.51 118.86 2fee h ILE 197 Ca 0.02 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 2fee h ILE 197 Cb 0.47 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2fee h ILE 197 CO -0.28 0.23 0.03 -0.07 0.00 0.00 0.00 178.15 178.05 2fee h LEU 198 N 1.03 0.73 -0.27 1.44 -0.00 -0.50 -2.58 115.31 115.15 2fee h LEU 198 Ca 0.27 -0.16 0.02 0.00 -0.00 0.00 0.00 57.88 58.00 2fee h LEU 198 Cb -0.02 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.42 2fee h LEU 198 CO -0.05 0.79 0.14 0.15 -0.00 0.00 0.00 178.44 179.46 2fee h PHE 199 N 0.73 0.25 -0.07 1.13 3.57 -0.40 -2.75 116.94 119.40 2fee h PHE 199 Ca 0.15 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2fee h PHE 199 Cb 0.41 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2fee h PHE 199 CO 0.02 0.14 -0.38 0.82 -2.23 0.00 0.00 178.31 176.68 2fee h ILE 200 N 0.29 0.00 -0.57 1.41 5.03 -1.33 -0.79 117.51 121.55 2fee h ILE 200 Ca 0.11 0.00 -0.34 0.00 -0.12 0.00 0.00 64.86 64.51 2fee h ILE 200 Cb 0.03 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 33.69 2fee h ILE 200 CO -0.08 0.00 0.34 2.30 -0.68 0.00 0.00 178.15 180.04 2fee n ILE 201 N -4.57 2.88 0.00 -0.67 -5.35 -0.99 -1.11 119.36 109.56 2fee n ILE 201 Ca -0.05 -1.92 0.00 0.00 -0.27 0.00 0.00 62.75 60.52 2fee n ILE 201 Cb 0.27 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.72 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 0.66 0.09 0.01 6.28 2.13 -1.10 -4.99 120.64 123.73 2fee n GLU 202 Ca 0.34 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2fee n GLU 202 Cb 0.58 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.28 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 -0.27 0.00 0.10 5.31 4.07 -0.41 -4.95 120.64 124.50 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 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 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 -0.25 -6.57 5.31 2.86 -0.65 -3.46 114.93 112.17 2fee h MET 204 Ca 0.00 0.02 -0.59 0.00 -2.06 0.00 0.00 59.70 57.07 2fee h MET 204 Cb 0.00 0.06 0.14 0.00 0.06 0.00 0.00 31.60 31.86 2fee h MET 204 CO 0.00 0.05 -0.05 2.89 1.06 0.00 0.00 176.91 180.86 2fee n ARG 205 N -5.07 0.99 -1.14 1.72 1.85 -0.27 -4.74 116.66 110.00 2fee n ARG 205 Ca -0.09 0.36 -0.53 0.00 -1.00 0.00 0.00 57.85 56.59 2fee n ARG 205 Cb 0.22 -1.88 -0.10 0.00 -1.05 0.00 0.00 32.46 29.65 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 0.10 0.00 0.17 2.89 -0.02 -1.26 -4.82 135.00 132.05 2fee n PRO 206 Ca 0.11 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 2fee n PRO 206 Cb 0.41 -1.31 0.30 0.00 -0.02 0.00 0.00 33.50 32.88 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 7.48 0.00 0.00 -0.52 5.75 -1.89 -3.35 115.11 122.57 2fee h GLN 207 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2fee h GLN 207 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2fee h GLN 207 CO 0.94 0.00 -0.47 1.19 -2.65 0.00 0.00 178.83 177.84 2fee n PHE 208 N -2.69 0.00 -4.29 3.99 3.01 -1.26 -5.02 117.46 111.20 2fee n PHE 208 Ca 0.05 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.30 2fee n PHE 208 Cb 0.47 -0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.82 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 -1.49 1.15 0.53 -1.08 1.70 -1.26 -5.13 118.95 113.37 2fee s ARG 209 Ca 0.00 -1.30 -0.22 0.00 -0.47 0.00 0.00 55.73 53.74 2fee s ARG 209 Cb 0.00 -1.16 -0.06 0.00 -0.57 0.00 0.00 34.95 33.17 2fee s ARG 209 CO 0.02 0.24 1.26 0.98 -1.08 0.00 0.00 175.30 176.72 2fee n TYR 210 N 0.50 1.96 -4.32 5.89 9.36 -1.26 -4.79 117.16 124.50 2fee n TYR 210 Ca -0.15 0.45 -0.20 0.00 3.32 0.00 0.00 57.90 61.33 2fee n TYR 210 Cb 0.57 -2.32 -0.08 0.00 -0.63 0.00 0.00 39.34 36.87 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 -1.31 0.12 -0.51 2.97 2.01 -1.26 -5.08 115.64 112.59 2fee s THR 211 Ca 0.70 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.74 2fee s THR 211 Cb -0.44 -2.47 0.41 0.00 0.01 0.00 0.00 72.50 70.00 2fee s THR 211 CO 0.51 0.00 1.25 0.18 -0.69 0.00 0.00 174.62 175.87 2fee n LEU 212 N -0.63 5.15 -4.57 4.42 4.32 -1.26 -4.99 117.00 119.44 2fee n LEU 212 Ca 0.04 -5.17 -0.42 0.00 -0.02 0.00 0.00 56.01 50.44 2fee n LEU 212 Cb 0.63 -0.56 -0.06 0.00 -1.62 0.00 0.00 43.42 41.82 2fee n LEU 212 CO 0.33 2.17 0.49 -0.63 -1.22 0.00 0.00 177.39 178.53 2fee s ILE 213 N -5.45 4.78 -0.38 -0.08 1.01 -1.26 -4.33 121.20 115.50 2fee s ILE 213 Ca 0.49 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 2fee s ILE 213 Cb 0.40 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2fee s ILE 213 CO -0.22 -0.45 1.28 -0.55 0.00 0.00 0.00 174.94 175.00 2fee s SER 214 N 1.88 6.58 0.15 3.58 0.15 -1.26 -4.92 113.70 119.87 2fee s SER 214 Ca 0.28 0.91 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 2fee s SER 214 Cb -0.14 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2fee s SER 214 CO 0.17 -1.21 1.72 0.40 1.20 0.00 0.00 173.24 175.53 2fee h ILE 215 N 6.15 1.19 -0.85 6.45 2.04 -1.99 -1.91 117.51 128.59 2fee h ILE 215 Ca -0.25 -0.56 0.17 0.00 1.00 0.00 0.00 64.86 65.22 2fee h ILE 215 Cb 1.09 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 2fee h ILE 215 CO 1.07 0.22 0.56 0.50 0.00 0.00 0.00 178.15 180.50 2fee h LYS 216 N 0.63 0.48 -0.21 2.37 3.64 -2.00 0.11 116.57 121.59 2fee h LYS 216 Ca 0.16 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 2fee h LYS 216 Cb 0.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2fee h LYS 216 CO -0.02 0.32 -0.55 0.00 -2.27 0.00 0.00 179.45 176.93 2fee h ALA 217 N 1.62 0.34 -0.76 5.00 0.00 -1.81 -2.82 119.26 120.84 2fee h ALA 217 Ca 0.44 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2fee h ALA 217 Cb 0.95 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2fee h ALA 217 CO -0.17 0.56 0.34 0.28 0.00 0.00 0.00 179.25 180.26 2fee h VAL 218 N 0.45 1.25 0.04 0.00 2.07 -0.40 -2.52 116.25 117.14 2fee h VAL 218 Ca -0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2fee h VAL 218 Cb 1.17 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2fee h VAL 218 CO 0.12 0.30 -0.09 -0.26 0.02 0.00 0.00 177.57 177.66 2fee h PHE 219 N 1.08 -0.25 -1.19 1.57 -1.00 -1.04 -1.64 116.94 114.46 2fee h PHE 219 Ca 0.26 0.01 0.39 0.00 2.81 0.00 0.00 57.97 61.43 2fee h PHE 219 Cb 0.15 0.11 -0.13 0.00 3.61 0.00 0.00 35.95 39.69 2fee h PHE 219 CO 0.01 -0.10 0.75 0.82 -1.61 0.00 0.00 178.31 178.17 2fee h ILE 220 N -0.14 0.20 0.89 -0.55 2.04 -1.44 0.44 117.51 118.95 2fee h ILE 220 Ca -0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2fee h ILE 220 Cb 0.13 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2fee h ILE 220 CO -0.04 0.03 -0.43 1.23 0.00 0.00 0.00 178.15 178.94 2fee h GLY 221 N 0.16 -1.25 0.62 5.37 0.00 -1.07 -2.21 103.07 104.68 2fee h GLY 221 Ca 0.78 0.46 0.06 0.00 0.00 0.00 0.00 47.33 48.63 2fee h GLY 221 CO -0.47 -0.46 0.24 -2.08 0.00 0.00 0.00 176.54 173.78 2fee h VAL 222 N -1.32 0.89 -0.44 4.60 2.07 0.64 -1.60 116.25 121.10 2fee h VAL 222 Ca -0.12 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2fee h VAL 222 Cb 0.92 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 2fee h VAL 222 CO 0.20 0.08 -0.54 0.40 0.02 0.00 0.00 177.57 177.73 2fee h ILE 223 N 0.46 0.01 -0.59 4.57 2.04 -0.50 0.59 117.51 124.09 2fee h ILE 223 Ca 0.25 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.18 2fee h ILE 223 Cb 0.21 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.24 2fee h ILE 223 CO -0.21 0.00 0.25 0.24 0.00 0.00 0.00 178.15 178.44 2fee h MET 224 N -0.37 0.45 -0.04 2.37 2.86 -0.69 -0.05 114.93 119.46 2fee h MET 224 Ca 0.09 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 2fee h MET 224 Cb 0.59 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2fee h MET 224 CO -0.61 0.30 -0.54 0.66 1.06 0.00 0.00 176.91 177.77 2fee h SER 225 N 0.47 0.13 -0.00 1.22 4.64 -0.87 0.74 113.55 119.88 2fee h SER 225 Ca 0.28 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2fee h SER 225 Cb 0.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2fee h SER 225 CO -0.25 0.65 -0.00 0.74 -0.87 0.00 0.00 176.83 177.10 2fee h THR 226 N 0.09 1.44 -0.76 2.95 2.02 -0.34 -0.93 112.91 117.38 2fee h THR 226 Ca -0.00 -1.31 0.16 0.00 0.77 0.00 0.00 66.41 66.03 2fee h THR 226 Cb 0.99 2.33 -0.10 0.00 -1.74 0.00 0.00 68.15 69.63 2fee h THR 226 CO 0.08 0.34 0.27 0.40 0.37 0.00 0.00 175.52 176.98 2fee h ILE 227 N -0.55 0.59 -0.31 3.11 2.04 -0.90 0.19 117.51 121.68 2fee h ILE 227 Ca 0.00 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2fee h ILE 227 Cb 0.56 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2fee h ILE 227 CO 0.00 0.07 0.14 0.24 0.00 0.00 0.00 178.15 178.60 2fee h MET 228 N 0.38 0.29 -0.73 2.37 2.86 -0.70 -1.73 114.93 117.67 2fee h MET 228 Ca 0.43 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.00 2fee h MET 228 Cb 0.70 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 2fee h MET 228 CO -0.45 0.19 0.27 -0.92 1.06 0.00 0.00 176.91 177.06 2fee h TYR 229 N 0.30 1.14 -0.25 -0.22 3.20 0.09 -2.99 116.97 118.25 2fee h TYR 229 Ca 0.13 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2fee h TYR 229 Cb 0.07 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 2fee h TYR 229 CO -0.11 0.89 -0.20 0.00 -1.64 0.00 0.00 178.16 177.10 2fee h ARG 230 N 1.07 0.45 -0.26 1.82 2.47 -0.40 -0.40 114.38 119.12 2fee h ARG 230 Ca 0.24 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2fee h ARG 230 Cb 0.25 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2fee h ARG 230 CO -0.01 0.64 0.02 0.82 0.56 0.00 0.00 179.97 181.99 2fee h ILE 231 N 0.41 1.15 0.00 2.04 2.04 -1.16 -0.65 117.51 121.34 2fee h ILE 231 Ca 0.07 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2fee h ILE 231 Cb 0.59 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2fee h ILE 231 CO 0.04 0.20 -1.62 0.49 0.00 0.00 0.00 178.15 177.26 2fee n PHE 232 N -4.35 0.00 -1.20 1.37 3.01 -1.13 -4.62 117.46 110.56 2fee n PHE 232 Ca 0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 2fee n PHE 232 Cb 0.20 -0.33 0.05 0.00 -0.01 0.00 0.00 39.48 39.39 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 -1.98 1.16 -4.55 4.37 3.02 -0.17 -5.08 115.26 112.03 2fee n ASN 233 Ca -0.02 -2.24 -0.34 0.00 -0.03 0.00 0.00 54.58 51.95 2fee n ASN 233 Cb 0.42 -0.22 0.11 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.60 -0.07 -3.70 3.10 1.44 -0.26 -3.71 115.22 111.43 2fee n HIS 234 Ca 0.06 0.34 -0.26 0.00 -2.01 0.00 0.00 57.72 55.85 2fee n HIS 234 Cb 0.58 -1.96 0.06 0.00 0.12 0.00 0.00 29.99 28.79 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 -2.17 -7.06 -3.15 -1.40 -0.58 -1.26 -4.97 120.64 100.04 2fee n GLU 235 Ca 0.11 0.75 0.04 0.00 -0.42 0.00 0.00 57.16 57.64 2fee n GLU 235 Cb 0.51 -5.74 -0.01 0.00 -0.57 0.00 0.00 31.44 25.63 2fee n GLU 235 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2fee s VAL 236 N -3.32 -0.89 0.39 2.62 1.01 -1.24 -5.16 120.40 113.80 2fee s VAL 236 Ca 0.58 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 2fee s VAL 236 Cb -0.27 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 2fee s VAL 236 CO 0.77 0.00 0.89 0.00 0.00 0.00 0.00 175.10 176.75 2fee s ALA 237 N 2.87 3.13 0.07 5.51 0.00 -1.26 -4.99 121.76 127.09 2fee s ALA 237 Ca 0.17 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2fee s ALA 237 Cb -0.14 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 2fee s ALA 237 CO -0.19 0.19 1.36 -0.07 0.00 0.00 0.00 175.76 177.05 2fee h LEU 238 N 2.09 0.63 -8.00 0.00 3.38 -1.91 -3.39 115.31 108.11 2fee h LEU 238 Ca -0.49 -0.51 -0.66 0.00 0.09 0.00 0.00 57.88 56.32 2fee h LEU 238 Cb 1.18 -0.18 -0.36 0.00 0.09 0.00 0.00 40.66 41.39 2fee h LEU 238 CO 0.62 1.01 -0.85 -0.63 0.09 0.00 0.00 178.44 178.69 2fee s ILE 239 N -4.21 1.99 -0.13 1.22 1.01 -1.26 -4.91 121.20 114.89 2fee s ILE 239 Ca -0.13 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 2fee s ILE 239 Cb 0.07 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2fee s ILE 239 CO 0.81 0.43 0.09 -0.62 0.00 0.00 0.00 174.94 175.65 2fee s ASP 240 N 1.30 5.94 0.00 3.58 -1.08 -1.26 -4.71 116.67 120.43 2fee s ASP 240 Ca 0.03 0.28 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 2fee s ASP 240 Cb -0.14 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 2fee s ASP 240 CO -0.11 0.33 0.00 0.52 0.52 0.00 0.00 175.17 176.42 2fee n VAL 241 N 2.53 0.00 -1.02 1.11 0.31 -1.26 -4.49 118.33 115.51 2fee n VAL 241 Ca -0.18 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.28 2fee n VAL 241 Cb 0.54 0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 33.98 2fee n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fee n GLY 242 N 0.00 -2.02 3.60 2.92 0.00 -1.26 -4.66 105.19 103.77 2fee n GLY 242 Ca 0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.30 3.62 1.09 1.61 2.47 -1.26 -4.92 119.74 120.06 2fee s LYS 243 Ca 0.00 0.88 -0.17 0.00 -1.56 0.00 0.00 55.97 55.12 2fee s LYS 243 Cb 0.00 -3.99 0.24 0.00 -1.46 0.00 0.00 37.83 32.61 2fee s LYS 243 CO 0.00 -1.51 1.15 -0.51 0.16 0.00 0.00 175.35 174.64 2fee s LEU 244 N 5.19 1.34 0.00 5.43 2.01 -1.26 -5.07 118.68 126.32 2fee s LEU 244 Ca 0.58 0.69 -0.02 0.00 0.01 0.00 0.00 54.13 55.40 2fee s LEU 244 Cb -0.12 -2.62 0.02 0.00 0.01 0.00 0.00 46.19 43.47 2fee s LEU 244 CO 0.32 -3.54 0.10 -1.54 1.01 0.00 0.00 176.35 172.71 2fee n SER 245 N -4.38 -0.56 -4.91 2.29 3.41 -1.26 -5.09 113.62 103.13 2fee n SER 245 Ca 0.11 -0.79 -0.23 0.00 -0.26 0.00 0.00 58.87 57.70 2fee n SER 245 Cb 0.59 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.59 4.88 -0.21 4.04 1.11 -1.26 -4.86 116.67 118.77 2fee s ASP 246 Ca 0.06 -0.97 0.02 0.00 0.18 0.00 0.00 52.55 51.84 2fee s ASP 246 Cb -0.00 -0.04 0.04 0.00 1.07 0.00 0.00 42.92 43.98 2fee s ASP 246 CO 0.05 -0.94 -0.13 0.00 1.18 0.00 0.00 175.17 175.33 2fee s ALA 247 N -2.62 2.25 0.63 5.23 0.00 -1.26 -4.97 121.76 121.01 2fee s ALA 247 Ca 0.44 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2fee s ALA 247 Cb -0.03 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 2fee s ALA 247 CO 0.27 -0.81 1.15 -2.14 0.00 0.00 0.00 175.76 174.23 2fee s PRO 248 N 1.28 2.86 0.37 0.00 0.02 -1.26 -4.95 135.00 133.32 2fee s PRO 248 Ca -0.02 1.59 0.07 0.00 0.02 0.00 0.00 61.00 62.66 2fee s PRO 248 Cb -0.16 -1.94 0.78 0.00 0.02 0.00 0.00 34.50 33.19 2fee s PRO 248 CO -0.08 -1.24 1.96 -0.07 -0.33 0.00 0.00 177.00 177.23 2fee h LEU 249 N 0.42 0.63 -0.35 -5.54 3.38 -2.02 -1.27 115.31 110.56 2fee h LEU 249 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2fee h LEU 249 Cb 1.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2fee h LEU 249 CO 0.54 0.40 0.00 -0.46 0.09 0.00 0.00 178.44 179.01 2fee n ASN 250 N -4.48 0.27 -0.00 -0.43 6.94 -1.26 -2.22 115.26 114.08 2fee n ASN 250 Ca 0.11 -1.54 0.02 0.00 -0.02 0.00 0.00 54.58 53.14 2fee n ASN 250 Cb 0.26 -0.14 -0.02 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.28 0.00 -0.14 5.53 -1.04 -0.48 -4.74 114.28 113.12 2fee n THR 251 Ca 0.00 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 61.56 2fee n THR 251 Cb 0.07 0.92 0.00 0.00 -1.82 0.00 0.00 70.33 69.50 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 0.56 -1.55 -4.42 3.38 -1.51 -2.29 115.31 109.47 2fee h LEU 252 Ca 0.00 -0.12 0.36 0.00 0.09 0.00 0.00 57.88 58.21 2fee h LEU 252 Cb 0.11 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 2fee h LEU 252 CO 0.00 0.52 0.82 4.11 0.09 0.00 0.00 178.44 183.98 2fee h TRP 253 N 0.55 0.43 -0.56 1.13 5.08 -1.85 0.15 115.95 120.88 2fee h TRP 253 Ca 0.15 0.02 -0.03 0.00 1.08 0.00 0.00 58.89 60.10 2fee h TRP 253 Cb 0.10 -0.12 -0.03 0.00 -3.00 0.00 0.00 29.16 26.12 2fee h TRP 253 CO -0.01 -0.05 0.21 -0.07 -1.28 0.00 0.00 178.44 177.24 2fee h LEU 254 N 0.18 0.74 -1.11 0.11 3.38 -1.76 -1.56 115.31 115.29 2fee h LEU 254 Ca 0.69 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.50 2fee h LEU 254 Cb 2.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2fee h LEU 254 CO -0.26 0.68 -0.33 1.88 0.09 0.00 0.00 178.44 180.50 2fee h TYR 255 N 0.80 0.00 -0.17 1.13 -1.99 -0.83 -1.78 116.97 114.14 2fee h TYR 255 Ca 0.19 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.76 2fee h TYR 255 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 2fee h TYR 255 CO 0.01 0.33 -0.53 1.25 -0.00 0.00 0.00 178.16 179.22 2fee h LEU 256 N 0.00 0.76 -0.43 3.88 5.85 -1.21 -1.16 115.31 123.00 2fee h LEU 256 Ca -0.00 -0.59 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 2fee h LEU 256 Cb 0.79 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2fee h LEU 256 CO 0.04 1.22 0.26 0.40 -0.34 0.00 0.00 178.44 180.02 2fee h ILE 257 N 0.34 1.14 -0.73 4.05 2.04 -1.16 -0.95 117.51 122.24 2fee h ILE 257 Ca -0.02 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.56 2fee h ILE 257 Cb 1.15 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2fee h ILE 257 CO 0.11 0.14 0.45 0.25 0.00 0.00 0.00 178.15 179.10 2fee h LEU 258 N 0.57 0.71 -0.82 1.44 5.85 -1.33 -1.50 115.31 120.23 2fee h LEU 258 Ca 0.15 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2fee h LEU 258 Cb 0.01 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2fee h LEU 258 CO -0.03 0.48 0.50 1.23 -0.34 0.00 0.00 178.44 180.27 2fee h GLY 259 N 0.85 1.19 0.97 3.75 0.00 -0.81 -1.09 103.07 107.93 2fee h GLY 259 Ca 0.31 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2fee h GLY 259 CO -0.14 0.48 0.23 -2.22 0.00 0.00 0.00 176.54 174.89 2fee h ILE 260 N 1.13 1.07 -0.68 2.60 2.04 -0.92 0.29 117.51 123.04 2fee h ILE 260 Ca 0.29 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 66.03 2fee h ILE 260 Cb -0.05 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2fee h ILE 260 CO -0.06 0.09 0.41 0.40 0.00 0.00 0.00 178.15 178.99 2fee h ILE 261 N 0.47 1.04 -0.24 -0.67 2.04 -0.66 -0.05 117.51 119.45 2fee h ILE 261 Ca 0.14 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2fee h ILE 261 Cb -0.04 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2fee h ILE 261 CO -0.04 0.14 -0.16 -0.26 0.00 0.00 0.00 178.15 177.83 2fee h PHE 262 N 0.78 0.44 -0.68 1.37 -1.00 -1.00 -2.64 116.94 114.20 2fee h PHE 262 Ca 0.29 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 2fee h PHE 262 Cb 0.09 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 2fee h PHE 262 CO -0.06 0.55 0.29 0.78 -1.61 0.00 0.00 178.31 178.27 2fee h GLY 263 N 0.92 1.06 0.68 -1.45 0.00 0.13 0.26 103.07 104.67 2fee h GLY 263 Ca 0.07 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 2fee h GLY 263 CO 0.03 0.51 -0.43 0.16 0.00 0.00 0.00 176.54 176.81 2fee h ILE 264 N 0.97 1.45 0.00 2.60 3.07 -0.99 -2.56 117.51 122.05 2fee h ILE 264 Ca 0.23 -1.93 -0.09 0.00 1.55 0.00 0.00 64.86 64.62 2fee h ILE 264 Cb 0.15 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 2fee h ILE 264 CO -0.02 0.55 -0.45 0.15 -1.05 0.00 0.00 178.15 177.33 2fee h PHE 265 N -0.20 0.00 -0.47 0.16 3.57 -1.40 -3.31 116.94 115.29 2fee h PHE 265 Ca -0.05 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.55 2fee h PHE 265 Cb 1.13 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.77 2fee h PHE 265 CO 0.15 0.45 -0.30 0.78 -2.23 0.00 0.00 178.31 177.15 2fee h GLY 266 N 2.49 -0.11 0.83 2.40 0.00 -0.60 0.09 103.07 108.17 2fee h GLY 266 Ca -0.00 0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.60 2fee h GLY 266 CO 0.06 -0.21 -0.31 -2.55 0.00 0.00 0.00 176.54 173.53 2fee h PRO 267 N -0.19 0.49 -1.07 4.80 0.11 -1.67 -2.82 132.00 131.65 2fee h PRO 267 Ca 0.20 -0.32 0.29 0.00 0.11 0.00 0.00 66.00 66.29 2fee h PRO 267 Cb 0.53 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 31.56 2fee h PRO 267 CO -0.58 0.92 0.67 0.82 -0.21 0.00 0.00 178.00 179.62 2fee h ILE 268 N 0.12 0.44 -0.30 4.15 2.04 -1.59 0.47 117.51 122.85 2fee h ILE 268 Ca 0.01 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 2fee h ILE 268 Cb 0.91 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2fee h ILE 268 CO 0.07 0.07 -0.23 0.15 0.00 0.00 0.00 178.15 178.20 2fee h PHE 269 N 0.38 0.80 -0.73 1.37 3.57 -0.93 -3.03 116.94 118.37 2fee h PHE 269 Ca 0.65 -0.23 0.06 0.00 3.53 0.00 0.00 57.97 61.98 2fee h PHE 269 Cb 1.62 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 40.13 2fee h PHE 269 CO -0.00 0.95 0.43 -0.91 -2.23 0.00 0.00 178.31 176.55 2fee h ASN 270 N 0.43 0.66 -0.09 0.41 -0.26 0.05 0.14 115.58 116.91 2fee h ASN 270 Ca 0.05 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2fee h ASN 270 Cb 0.79 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 2fee h ASN 270 CO 0.06 0.43 -0.35 0.11 -1.06 0.00 0.00 177.43 176.62 2fee h LYS 271 N 0.80 -0.36 -0.42 0.81 1.57 -0.74 -1.04 116.57 117.19 2fee h LYS 271 Ca 0.32 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2fee h LYS 271 Cb 0.16 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2fee h LYS 271 CO -0.17 -0.24 0.08 -1.49 -0.57 0.00 0.00 179.45 177.06 2fee h TRP 272 N -0.37 0.66 -0.65 -1.35 6.55 -1.33 0.65 115.95 120.11 2fee h TRP 272 Ca 0.02 -0.05 -0.05 0.00 0.95 0.00 0.00 58.89 59.75 2fee h TRP 272 Cb 0.44 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.52 2fee h TRP 272 CO -0.54 0.58 0.19 -0.24 -1.05 0.00 0.00 178.44 177.38 2fee h VAL 273 N 0.62 1.25 0.36 1.49 3.04 -0.78 0.12 116.25 122.35 2fee h VAL 273 Ca 0.14 -0.87 -0.02 0.00 -1.01 0.00 0.00 66.70 64.94 2fee h VAL 273 Cb 0.28 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2fee h VAL 273 CO 0.00 0.33 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.65 2fee h LEU 274 N 0.94 -0.40 -1.20 3.16 3.38 -0.41 -2.81 115.31 117.98 2fee h LEU 274 Ca 0.21 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.58 2fee h LEU 274 Cb 0.31 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.02 2fee h LEU 274 CO -0.00 -0.05 0.69 1.23 0.09 0.00 0.00 178.44 180.39 2fee h GLY 275 N -0.95 1.74 2.00 0.83 0.00 0.26 0.33 103.07 107.29 2fee h GLY 275 Ca -0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 2fee h GLY 275 CO 0.08 -0.51 -0.57 1.98 0.00 0.00 0.00 176.54 177.51 2fee h MET 276 N 0.14 0.00 -0.26 4.80 4.05 -0.81 -0.35 114.93 122.50 2fee h MET 276 Ca 0.79 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.20 2fee h MET 276 Cb 2.20 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.99 2fee h MET 276 CO -0.55 0.57 0.12 1.96 0.23 0.00 0.00 176.91 179.24 2fee h GLN 277 N 0.00 0.36 0.00 0.39 4.20 -0.05 -2.30 115.11 117.71 2fee h GLN 277 Ca -0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2fee h GLN 277 Cb 1.33 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2fee h GLN 277 CO 0.07 0.29 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.76 2fee h ASP 278 N 0.36 0.00 -0.09 1.46 3.32 -1.28 -2.93 116.42 117.25 2fee h ASP 278 Ca 0.09 -0.39 0.03 0.00 0.02 0.00 0.00 57.03 56.78 2fee h ASP 278 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2fee h ASP 278 CO -0.01 0.88 0.26 0.25 -1.72 0.00 0.00 179.24 178.89 2fee h LEU 279 N -1.00 0.00 0.00 1.55 6.46 -1.11 0.21 115.31 121.41 2fee h LEU 279 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2fee h LEU 279 Cb 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 2fee h LEU 279 CO -0.04 0.00 -1.02 0.18 -0.62 0.00 0.00 178.44 176.95 2fee n LEU 280 N -3.22 0.80 -0.13 2.25 4.77 -0.86 -4.00 117.00 116.61 2fee n LEU 280 Ca -0.00 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2fee n LEU 280 Cb 0.34 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2fee n LEU 280 CO 0.19 -0.16 0.63 -0.74 -1.33 0.00 0.00 177.39 175.98 2fee h HIS 281 N 0.00 0.98 -0.36 -1.77 2.76 -0.39 -3.16 115.15 113.20 2fee h HIS 281 Ca 0.00 -0.26 0.08 0.00 -2.20 0.00 0.00 60.37 57.99 2fee h HIS 281 Cb 0.97 -0.22 -0.08 0.00 1.55 0.00 0.00 27.41 29.63 2fee h HIS 281 CO 0.00 1.03 -0.18 0.00 -1.30 0.00 0.00 177.93 177.48 2fee h ARG 282 N 0.64 -0.11 -1.15 5.26 3.08 -1.66 2.14 114.38 122.57 2fee h ARG 282 Ca 0.08 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.46 2fee h ARG 282 Cb 0.80 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.79 2fee h ARG 282 CO 0.07 -0.08 0.76 0.28 -1.07 0.00 0.00 179.97 179.93 2fee h VAL 283 N -0.12 0.40 0.00 2.04 2.07 -1.68 -2.77 116.25 116.19 2fee h VAL 283 Ca 0.18 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2fee h VAL 283 Cb 0.40 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2fee h VAL 283 CO -0.44 0.04 -1.34 0.00 0.02 0.00 0.00 177.57 175.86 2fee n HIS 284 N -4.54 0.00 -0.97 1.57 1.44 -0.70 -4.88 115.22 107.14 2fee n HIS 284 Ca 0.28 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 2fee n HIS 284 Cb 1.10 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 31.03 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 2.03 0.01 0.05 -1.39 0.00 0.71 -0.62 105.19 105.98 2fee n GLY 285 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.72 0.63 3.62 -0.02 0.00 -1.26 -5.02 105.19 103.86 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 -2.76 6.78 0.62 1.61 2.47 0.21 -4.93 114.94 118.94 2fee s ASN 287 Ca 0.00 0.76 0.18 0.00 0.42 0.00 0.00 52.86 54.22 2fee s ASN 287 Cb 0.00 -2.52 0.98 0.00 -1.45 0.00 0.00 41.25 38.26 2fee s ASN 287 CO 0.00 -0.97 1.53 -0.29 -3.72 0.00 0.00 177.10 173.65 2fee h ILE 288 N 5.89 0.00 0.03 -5.21 2.10 -1.97 -1.16 117.51 117.19 2fee h ILE 288 Ca -0.22 0.00 -0.38 0.00 1.08 0.00 0.00 64.86 65.34 2fee h ILE 288 Cb 1.07 0.40 -0.05 0.00 -1.09 0.00 0.00 36.82 37.14 2fee h ILE 288 CO 1.04 0.00 -2.21 0.41 -1.08 0.00 0.00 178.15 176.31 2fee n THR 289 N -2.65 1.57 0.27 2.19 -1.04 -1.26 -2.89 114.28 110.47 2fee n THR 289 Ca -0.01 -0.45 0.11 0.00 -2.04 0.00 0.00 64.05 61.66 2fee n THR 289 Cb 0.58 -1.71 0.73 0.00 -1.82 0.00 0.00 70.33 68.10 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 -0.43 0.00 0.00 -2.82 1.57 -1.70 -1.65 116.57 111.53 2fee h LYS 290 Ca -0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2fee h LYS 290 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.06 2fee h LYS 290 CO -0.17 0.08 0.00 1.87 -0.57 0.00 0.00 179.45 180.66 2fee n TRP 291 N -4.00 0.00 -0.34 -1.35 -0.00 -0.49 -2.07 117.44 109.19 2fee n TRP 291 Ca -0.03 0.00 0.29 0.00 -0.00 0.00 0.00 57.50 57.77 2fee n TRP 291 Cb 0.17 -0.16 0.55 0.00 -0.00 0.00 0.00 31.31 31.86 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 0.13 -0.08 5.87 2.07 -1.56 1.47 116.25 124.15 2fee h VAL 292 Ca 0.00 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 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 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 177.44 2fee h LEU 293 N 0.14 0.23 -1.23 2.57 3.38 -1.44 -0.16 115.31 118.80 2fee h LEU 293 Ca 0.80 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2fee h LEU 293 Cb 2.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 2fee h LEU 293 CO -0.67 0.71 -0.06 -0.03 0.09 0.00 0.00 178.44 178.47 2fee h MET 294 N -0.24 0.46 -0.16 1.13 4.05 -0.36 -2.25 114.93 117.56 2fee h MET 294 Ca 0.01 -0.11 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2fee h MET 294 Cb 0.65 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.33 2fee h MET 294 CO 0.03 0.53 -0.54 0.78 0.23 0.00 0.00 176.91 177.94 2fee h GLY 295 N 0.84 -1.09 1.62 1.39 0.00 0.21 -1.75 103.07 104.29 2fee h GLY 295 Ca 0.09 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.11 2fee h GLY 295 CO 0.02 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 176.97 2fee n GLY 296 N -1.42 -0.89 0.12 4.60 0.00 -0.09 -1.86 105.19 105.65 2fee n GLY 296 Ca -0.06 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 2.80 0.04 -0.05 4.61 0.00 -0.72 -1.00 119.26 124.94 2fee h ALA 297 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 2fee h ALA 297 Cb 0.18 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2fee h ALA 297 CO 0.00 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.66 2fee h ILE 298 N -0.35 1.27 -0.75 0.00 2.04 -1.38 -2.08 117.51 116.26 2fee h ILE 298 Ca -0.22 -0.85 0.17 0.00 1.00 0.00 0.00 64.86 64.96 2fee h ILE 298 Cb 1.70 1.74 -0.12 0.00 -0.74 0.00 0.00 36.82 39.39 2fee h ILE 298 CO 0.10 0.23 0.08 1.23 0.00 0.00 0.00 178.15 179.79 2fee h GLY 299 N -0.22 0.93 0.96 5.37 0.00 -1.47 0.10 103.07 108.75 2fee h GLY 299 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2fee h GLY 299 CO 0.00 -0.27 0.16 -1.33 0.00 0.00 0.00 176.54 175.11 2fee h GLY 300 N 0.16 0.78 2.00 4.60 0.00 -1.15 -2.37 103.07 107.08 2fee h GLY 300 Ca 0.42 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2fee h GLY 300 CO -0.61 0.42 -0.02 -2.00 0.00 0.00 0.00 176.54 174.33 2fee h LEU 301 N 0.63 0.00 0.17 3.11 5.85 -0.34 -1.29 115.31 123.44 2fee h LEU 301 Ca 0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2fee h LEU 301 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2fee h LEU 301 CO -0.01 0.02 -0.08 0.00 -0.34 0.00 0.00 178.44 178.03 2fee h GLY 303 N -0.35 0.64 0.90 0.00 0.00 -1.45 0.39 103.07 103.21 2fee h GLY 303 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2fee h GLY 303 CO 0.04 -0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.49 2fee h LEU 304 N 0.30 -0.19 -0.89 3.11 5.85 -1.31 -3.17 115.31 119.01 2fee h LEU 304 Ca 0.45 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.98 2fee h LEU 304 Cb 1.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2fee h LEU 304 CO -0.13 -0.05 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.35 2fee h LEU 305 N -0.33 0.16 -1.04 2.25 3.38 -0.28 -2.25 115.31 117.20 2fee h LEU 305 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2fee h LEU 305 Cb 0.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2fee h LEU 305 CO 0.04 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2fee n GLY 306 N -0.03 0.57 1.81 0.83 0.00 0.12 -0.52 105.19 107.97 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 0.33 0.00 1.25 1.61 7.35 -0.96 -4.65 117.46 122.39 2fee n PHE 307 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 2fee n PHE 307 Cb 0.10 0.42 0.51 0.00 0.35 0.00 0.00 39.48 40.85 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 -2.54 0.00 -2.68 -2.13 0.24 -0.88 -4.53 118.33 105.81 2fee n VAL 308 Ca 0.00 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.34 62.20 2fee n VAL 308 Cb 0.07 0.01 0.08 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.06 -3.17 0.16 2.33 0.00 0.32 -5.05 120.51 114.04 2fee n ALA 309 Ca 0.12 -0.49 0.19 0.00 0.00 0.00 0.00 53.44 53.26 2fee n ALA 309 Cb 0.31 -2.93 0.77 0.00 0.00 0.00 0.00 19.45 17.59 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 3.10 0.00 -0.10 0.00 0.11 -1.73 0.17 132.00 133.55 2fee h PRO 310 Ca -0.23 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 2fee h PRO 310 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2fee h PRO 310 CO -0.09 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.48 2fee h ALA 311 N 1.48 1.45 0.00 -0.75 0.00 -1.96 -2.06 119.26 117.41 2fee h ALA 311 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2fee h ALA 311 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2fee h ALA 311 CO -0.00 0.39 0.00 1.79 0.00 0.00 0.00 179.25 181.43 2fee h THR 312 N 0.16 0.00 -2.96 0.00 1.35 -0.96 -3.46 112.91 107.04 2fee h THR 312 Ca 0.03 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2fee h THR 312 Cb 0.48 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2fee h THR 312 CO 0.03 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.06 2fee n SER 313 N -3.06 0.61 -1.29 5.36 2.88 -0.77 -4.61 113.62 112.74 2fee n SER 313 Ca 0.02 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.73 2fee n SER 313 Cb 0.41 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 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 -2.30 0.27 0.46 0.00 -1.18 -4.46 105.19 102.98 2fee n GLY 314 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.22 0.27 0.00 -0.02 0.00 -1.82 -3.37 103.07 96.91 2fee h GLY 315 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2fee h GLY 315 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.29 2fee n GLY 316 N -1.33 2.63 0.40 4.60 0.00 -1.26 -3.88 105.19 106.35 2fee n GLY 316 Ca -0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 0.10 -0.47 1.61 0.05 -1.92 -2.40 116.94 113.91 2fee h PHE 317 Ca 0.00 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 2fee h PHE 317 Cb 0.00 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 37.90 2fee h PHE 317 CO 0.00 0.04 0.05 -0.91 -0.18 0.00 0.00 178.31 177.31 2fee h ASN 318 N 0.09 0.69 0.49 2.17 4.21 -1.92 -3.02 115.58 118.28 2fee h ASN 318 Ca 0.31 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2fee h ASN 318 Cb 1.12 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 2fee h ASN 318 CO -0.03 0.72 -0.58 0.00 -1.29 0.00 0.00 177.43 176.25 2fee n LEU 319 N -4.26 0.56 0.27 1.61 -0.00 -0.91 -4.16 117.00 110.12 2fee n LEU 319 Ca 0.03 -0.02 -0.12 0.00 -0.00 0.00 0.00 56.01 55.90 2fee n LEU 319 Cb 0.25 -0.22 -0.06 0.00 -0.00 0.00 0.00 43.42 43.40 2fee n LEU 319 CO 0.40 0.12 0.52 0.40 -0.00 0.00 0.00 177.39 178.83 2fee h ILE 320 N 0.00 0.00 -0.50 1.47 2.04 -1.48 0.14 117.51 119.18 2fee h ILE 320 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2fee h ILE 320 Cb 0.53 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 2fee h ILE 320 CO 0.00 0.00 -0.32 -0.65 0.00 0.00 0.00 178.15 177.18 2fee h PRO 321 N -0.73 -0.19 -0.92 2.37 0.11 -1.75 0.04 132.00 130.93 2fee h PRO 321 Ca -0.07 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.17 2fee h PRO 321 Cb 0.58 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.65 2fee h PRO 321 CO 0.08 -0.13 0.55 0.82 -0.21 0.00 0.00 178.00 179.12 2fee h ILE 322 N -0.20 0.90 -0.19 4.15 2.04 -1.70 -1.53 117.51 120.99 2fee h ILE 322 Ca 0.21 -0.30 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 2fee h ILE 322 Cb 0.54 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2fee h ILE 322 CO -0.61 0.16 -0.64 0.00 0.00 0.00 0.00 178.15 177.06 2fee h ALA 323 N 1.51 0.33 -0.85 1.87 0.00 0.29 -2.61 119.26 119.80 2fee h ALA 323 Ca 0.46 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2fee h ALA 323 Cb 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2fee h ALA 323 CO -0.27 0.61 0.49 1.15 0.00 0.00 0.00 179.25 181.23 2fee h THR 324 N 0.49 1.24 0.00 0.00 2.02 -0.47 0.49 112.91 116.68 2fee h THR 324 Ca -0.03 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2fee h THR 324 Cb 1.27 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2fee h THR 324 CO 0.14 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.29 2fee n ALA 325 N -2.38 1.76 -2.86 6.16 0.00 -0.63 -3.56 120.51 119.00 2fee n ALA 325 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2fee n ALA 325 Cb 0.07 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.12 0.32 0.07 0.00 0.00 0.16 -4.96 105.19 100.66 2fee n GLY 326 Ca 0.06 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.25 0.70 -4.83 1.61 5.03 -0.99 -4.87 115.26 111.66 2fee n ASN 327 Ca -0.01 0.10 -0.34 0.00 0.87 0.00 0.00 54.58 55.21 2fee n ASN 327 Cb 0.53 0.53 -0.06 0.00 -1.02 0.00 0.00 39.78 39.76 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 -3.27 3.46 1.06 3.10 0.08 -1.26 -5.06 117.98 116.10 2fee s PHE 328 Ca 0.02 1.41 -0.18 0.00 0.12 0.00 0.00 56.93 58.31 2fee s PHE 328 Cb 0.12 -2.67 0.24 0.00 -0.57 0.00 0.00 43.02 40.14 2fee s PHE 328 CO 0.78 0.12 1.25 -1.54 -0.10 0.00 0.00 175.22 175.73 2fee s SER 329 N -2.03 2.22 -0.00 1.36 1.04 -1.26 -4.89 113.70 110.13 2fee s SER 329 Ca 0.53 0.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.08 2fee s SER 329 Cb -0.12 -0.44 -0.19 0.00 0.10 0.00 0.00 66.02 65.37 2fee s SER 329 CO 0.18 -3.30 1.25 -0.03 0.98 0.00 0.00 173.24 172.33 2fee h MET 330 N -2.03 0.16 -0.02 4.02 4.05 -1.99 -2.24 114.93 116.88 2fee h MET 330 Ca -0.44 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 2fee h MET 330 Cb 1.25 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 2fee h MET 330 CO 0.35 0.65 -0.04 0.78 0.23 0.00 0.00 176.91 178.88 2fee h GLY 331 N -0.32 -1.77 -0.94 1.39 0.00 -2.00 -1.93 103.07 97.49 2fee h GLY 331 Ca 0.01 0.78 0.40 0.00 0.00 0.00 0.00 47.33 48.52 2fee h GLY 331 CO 0.02 -0.66 0.67 1.98 0.00 0.00 0.00 176.54 178.55 2fee h MET 332 N -0.03 0.10 0.57 4.80 -1.53 -1.94 -0.98 114.93 115.91 2fee h MET 332 Ca 0.00 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 2fee h MET 332 Cb 0.04 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 31.07 2fee h MET 332 CO -0.04 0.07 -0.27 -0.07 0.14 0.00 0.00 176.91 176.74 2fee h LEU 333 N 0.11 -0.64 -0.72 3.39 3.38 -0.90 -1.46 115.31 118.45 2fee h LEU 333 Ca 0.82 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.92 2fee h LEU 333 Cb 2.25 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 43.06 2fee h LEU 333 CO -0.60 -0.25 0.17 0.58 0.09 0.00 0.00 178.44 178.43 2fee h VAL 334 N -1.14 0.52 0.14 1.22 2.07 -0.45 0.21 116.25 118.81 2fee h VAL 334 Ca -0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2fee h VAL 334 Cb 0.62 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2fee h VAL 334 CO 0.13 0.05 -0.36 0.15 0.02 0.00 0.00 177.57 177.56 2fee h PHE 335 N 0.27 -1.04 -0.84 1.57 3.04 -1.38 -1.75 116.94 116.81 2fee h PHE 335 Ca 0.41 0.02 0.23 0.00 3.98 0.00 0.00 57.97 62.61 2fee h PHE 335 Cb 0.68 0.44 -0.04 0.00 2.56 0.00 0.00 35.95 39.59 2fee h PHE 335 CO -0.26 -0.42 0.59 0.82 -2.02 0.00 0.00 178.31 177.02 2fee h ILE 336 N -0.56 0.61 0.48 1.41 2.04 0.14 0.25 117.51 121.87 2fee h ILE 336 Ca -0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2fee h ILE 336 Cb 0.54 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2fee h ILE 336 CO -0.17 0.02 -0.23 0.15 0.00 0.00 0.00 178.15 177.92 2fee h PHE 337 N 0.10 -0.59 -0.04 1.37 3.57 -0.32 -1.80 116.94 119.23 2fee h PHE 337 Ca 0.41 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.91 2fee h PHE 337 Cb 1.47 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.36 2fee h PHE 337 CO -0.00 -0.37 -0.37 0.28 -2.23 0.00 0.00 178.31 175.63 2fee h VAL 338 N -0.99 0.00 -1.03 1.41 2.07 -0.74 0.38 116.25 117.35 2fee h VAL 338 Ca -0.07 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.83 2fee h VAL 338 Cb 0.49 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.10 2fee h VAL 338 CO 0.11 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.28 2fee h ALA 339 N -0.73 2.12 0.03 1.67 0.00 -1.09 -0.22 119.26 121.04 2fee h ALA 339 Ca 0.01 0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 2fee h ALA 339 Cb 0.48 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2fee h ALA 339 CO -0.27 -0.81 -1.27 0.00 0.00 0.00 0.00 179.25 176.91 2fee h ARG 340 N 0.17 0.07 0.56 0.00 3.08 -0.28 -1.40 114.38 116.57 2fee h ARG 340 Ca 0.79 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.71 2fee h ARG 340 Cb 1.99 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.08 2fee h ARG 340 CO -0.65 0.92 -0.37 0.28 -1.07 0.00 0.00 179.97 179.08 2fee h VAL 341 N 0.02 0.25 -0.12 2.04 2.07 0.15 -0.42 116.25 120.23 2fee h VAL 341 Ca -0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2fee h VAL 341 Cb 1.88 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 2fee h VAL 341 CO 0.13 0.00 -0.34 0.40 0.02 0.00 0.00 177.57 177.78 2fee h ILE 342 N -0.88 0.00 -0.22 4.57 2.04 -1.38 -1.27 117.51 120.37 2fee h ILE 342 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2fee h ILE 342 Cb 0.73 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2fee h ILE 342 CO 0.05 0.00 0.15 0.71 0.00 0.00 0.00 178.15 179.05 2fee h THR 343 N -0.34 1.05 0.21 -0.27 1.35 -1.29 -1.76 112.91 111.87 2fee h THR 343 Ca 0.03 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2fee h THR 343 Cb 0.41 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2fee h THR 343 CO -0.30 0.05 -0.10 0.74 -0.25 0.00 0.00 175.52 175.67 2fee h THR 344 N 0.29 0.88 0.31 6.82 2.02 -0.68 -2.85 112.91 119.70 2fee h THR 344 Ca 0.08 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2fee h THR 344 Cb -0.03 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2fee h THR 344 CO -0.02 0.13 -0.25 -0.07 0.37 0.00 0.00 175.52 175.68 2fee h LEU 345 N -0.59 -0.68 -1.71 2.58 3.38 -0.95 -2.24 115.31 115.09 2fee h LEU 345 Ca -0.03 0.05 0.46 0.00 0.09 0.00 0.00 57.88 58.45 2fee h LEU 345 Cb 0.43 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2fee h LEU 345 CO 0.05 -0.36 1.29 -0.07 0.09 0.00 0.00 178.44 179.44 2fee h LEU 346 N -0.55 0.00 0.05 1.67 4.07 -1.41 0.24 115.31 119.37 2fee h LEU 346 Ca -0.04 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.58 2fee h LEU 346 Cb 0.46 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.17 2fee h LEU 346 CO 0.00 0.00 -1.87 0.00 -1.08 0.00 0.00 178.44 175.49 2fee h PHE 348 N -0.49 -0.12 -0.98 0.00 3.57 -0.79 -3.21 116.94 114.91 2fee h PHE 348 Ca -0.46 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.33 2fee h PHE 348 Cb 1.69 0.04 -0.14 0.00 2.79 0.00 0.00 35.95 40.33 2fee h PHE 348 CO 0.05 0.27 0.51 0.77 -2.23 0.00 0.00 178.31 177.68 2fee h SER 349 N -0.97 0.44 0.00 0.41 0.02 -0.76 0.38 113.55 113.07 2fee h SER 349 Ca -0.01 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2fee h SER 349 Cb 0.45 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2fee h SER 349 CO 0.02 -0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.07 2fee n SER 350 N -5.06 0.18 -1.31 3.07 3.41 -1.23 -4.10 113.62 108.58 2fee n SER 350 Ca 0.29 -1.13 -0.17 0.00 -0.26 0.00 0.00 58.87 57.59 2fee n SER 350 Cb 0.89 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.12 1.64 3.76 5.00 0.00 0.13 -4.94 105.19 110.90 2fee n GLY 351 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.47 3.53 -0.03 4.61 0.00 -1.21 -1.34 121.76 124.84 2fee s ALA 352 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 2fee s ALA 352 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 2fee s ALA 352 CO 0.00 -0.67 1.71 -1.25 0.00 0.00 0.00 175.76 175.56 2fee s PRO 353 N -1.41 4.17 0.00 0.00 0.04 -1.26 -2.45 135.00 134.10 2fee s PRO 353 Ca 0.52 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2fee s PRO 353 Cb -0.40 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2fee s PRO 353 CO 0.50 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2fee n GLY 354 N 4.20 3.93 3.40 0.56 0.00 0.38 -4.60 105.19 113.06 2fee n GLY 354 Ca 0.18 -0.37 -0.32 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 -0.46 -2.04 0.36 -0.02 0.00 -1.23 -4.01 105.19 97.79 2fee n GLY 355 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.22 0.00 0.40 -0.61 3.06 -1.26 -1.48 119.36 115.24 2fee n ILE 356 Ca 0.04 -0.50 -0.19 0.00 -2.50 0.00 0.00 62.75 59.61 2fee n ILE 356 Cb 0.57 1.19 -0.09 0.00 0.54 0.00 0.00 39.64 41.84 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 1.75 -1.28 0.15 9.51 3.57 -1.97 -2.00 116.94 126.67 2fee h PHE 357 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2fee h PHE 357 Cb 0.37 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2fee h PHE 357 CO 0.00 -0.70 -0.30 0.00 -2.23 0.00 0.00 178.31 175.08 2fee h ALA 358 N -1.17 -0.87 0.00 2.41 0.00 -1.91 -1.34 119.26 116.38 2fee h ALA 358 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2fee h ALA 358 Cb 0.92 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2fee h ALA 358 CO 0.08 -0.93 0.33 -1.35 0.00 0.00 0.00 179.25 177.38 2fee h PRO 359 N -0.49 0.00 -0.01 0.00 0.11 -1.67 0.94 132.00 130.89 2fee h PRO 359 Ca -0.02 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.86 2fee h PRO 359 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.58 2fee h PRO 359 CO -0.12 0.00 -0.95 0.52 -0.21 0.00 0.00 178.00 177.24 2fee h MET 360 N 0.00 0.50 0.71 1.05 2.86 -0.46 -2.22 114.93 117.38 2fee h MET 360 Ca 0.00 -0.53 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 2fee h MET 360 Cb 0.66 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2fee h MET 360 CO 0.00 1.17 -0.43 -0.07 1.06 0.00 0.00 176.91 178.63 2fee h LEU 361 N 0.29 -1.08 -1.76 1.22 3.38 -0.47 -1.43 115.31 115.46 2fee h LEU 361 Ca -0.09 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.15 2fee h LEU 361 Cb 1.59 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 42.61 2fee h LEU 361 CO 0.17 -0.67 0.56 0.00 0.09 0.00 0.00 178.44 178.59 2fee h ALA 362 N -0.88 2.45 -0.14 1.53 0.00 -1.54 0.35 119.26 121.02 2fee h ALA 362 Ca -0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2fee h ALA 362 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2fee h ALA 362 CO 0.10 -0.69 -0.72 -0.07 0.00 0.00 0.00 179.25 177.86 2fee h LEU 363 N 0.21 0.74 -0.31 0.00 3.38 -1.23 -2.78 115.31 115.33 2fee h LEU 363 Ca 0.41 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2fee h LEU 363 Cb 1.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2fee h LEU 363 CO -0.09 1.24 -0.23 1.23 0.09 0.00 0.00 178.44 180.68 2fee h GLY 364 N 0.89 0.77 0.33 0.83 0.00 0.66 -0.35 103.07 106.20 2fee h GLY 364 Ca -0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2fee h GLY 364 CO 0.14 0.67 -0.34 -0.84 0.00 0.00 0.00 176.54 176.17 2fee h THR 365 N 0.46 0.00 -0.95 4.70 2.02 -0.82 0.82 112.91 119.13 2fee h THR 365 Ca 0.06 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.42 2fee h THR 365 Cb 0.79 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.09 2fee h THR 365 CO 0.06 0.00 0.54 0.58 0.37 0.00 0.00 175.52 177.07 2fee h VAL 366 N -0.67 0.69 -0.07 3.16 2.07 -1.41 0.34 116.25 120.36 2fee h VAL 366 Ca -0.04 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2fee h VAL 366 Cb 0.58 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2fee h VAL 366 CO -0.04 0.13 -0.02 0.25 0.02 0.00 0.00 177.57 177.90 2fee h LEU 367 N 0.69 0.14 -0.10 2.57 5.85 -0.94 -2.20 115.31 121.31 2fee h LEU 367 Ca 0.55 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2fee h LEU 367 Cb 0.86 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2fee h LEU 367 CO -0.39 0.48 0.02 1.23 -0.34 0.00 0.00 178.44 179.44 2fee h GLY 368 N -0.21 0.11 0.06 3.75 0.00 0.11 -1.17 103.07 105.73 2fee h GLY 368 Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2fee h GLY 368 CO 0.01 0.00 -0.32 -0.84 0.00 0.00 0.00 176.54 175.39 2fee h THR 369 N 0.07 0.27 -0.98 4.70 2.02 -0.47 0.73 112.91 119.25 2fee h THR 369 Ca 0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.38 2fee h THR 369 Cb 0.04 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 66.62 2fee h THR 369 CO -0.06 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.42 2fee h ALA 370 N 0.52 1.55 -0.56 6.16 0.00 -0.81 0.16 119.26 126.29 2fee h ALA 370 Ca 0.12 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2fee h ALA 370 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2fee h ALA 370 CO -0.41 0.04 0.13 0.35 0.00 0.00 0.00 179.25 179.37 2fee h PHE 371 N 0.82 0.94 -0.64 0.00 3.57 -0.10 -2.84 116.94 118.70 2fee h PHE 371 Ca 0.53 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.93 2fee h PHE 371 Cb 0.71 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2fee h PHE 371 CO -0.02 0.81 0.42 0.78 -2.23 0.00 0.00 178.31 178.07 2fee h GLY 372 N 0.79 0.89 0.29 2.40 0.00 0.15 0.53 103.07 108.12 2fee h GLY 372 Ca 0.17 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.20 2fee h GLY 372 CO 0.00 0.32 -0.33 -0.33 0.00 0.00 0.00 176.54 176.20 2fee h MET 373 N 0.86 -0.47 -0.31 4.80 2.86 -0.68 0.18 114.93 122.16 2fee h MET 373 Ca 0.23 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.97 2fee h MET 373 Cb -0.10 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 2fee h MET 373 CO -0.05 -0.32 -0.10 0.28 1.06 0.00 0.00 176.91 177.78 2fee h VAL 374 N -0.49 0.64 -0.32 -2.22 2.07 -1.30 -2.62 116.25 112.00 2fee h VAL 374 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 2fee h VAL 374 Cb 0.57 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 2fee h VAL 374 CO -0.27 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.13 2fee h ALA 375 N 1.25 0.03 -0.43 1.67 0.00 -0.32 -1.76 119.26 119.71 2fee h ALA 375 Ca 0.15 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2fee h ALA 375 Cb 0.27 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 2fee h ALA 375 CO -0.34 -0.58 0.00 0.28 0.00 0.00 0.00 179.25 178.62 2fee h VAL 376 N -0.15 0.68 -0.00 0.00 2.07 -0.30 -1.41 116.25 117.14 2fee h VAL 376 Ca 0.17 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.48 2fee h VAL 376 Cb 0.40 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2fee h VAL 376 CO -0.41 0.02 -0.79 1.05 0.02 0.00 0.00 177.57 177.46 2fee h GLU 377 N 0.11 0.01 -0.03 1.57 4.11 -1.25 -3.16 114.58 115.94 2fee h GLU 377 Ca 0.21 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.51 2fee h GLU 377 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2fee h GLU 377 CO -0.35 0.80 -0.57 -0.07 0.07 0.00 0.00 179.01 178.89 2fee h LEU 378 N 0.01 0.12 -6.44 3.06 3.38 -0.94 -3.39 115.31 111.11 2fee h LEU 378 Ca -0.01 -0.06 -0.59 0.00 0.09 0.00 0.00 57.88 57.30 2fee h LEU 378 Cb 1.40 -0.03 -0.39 0.00 0.09 0.00 0.00 40.66 41.72 2fee h LEU 378 CO 0.10 0.66 -0.88 0.49 0.09 0.00 0.00 178.44 178.90 2fee n PHE 379 N -3.88 0.48 0.28 1.13 3.01 -0.56 -4.94 117.46 112.97 2fee n PHE 379 Ca -0.02 -3.65 0.16 0.00 1.01 0.00 0.00 57.45 54.96 2fee n PHE 379 Cb 0.58 -0.12 0.75 0.00 -0.01 0.00 0.00 39.48 40.69 2fee n PHE 379 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2fee h PRO 380 N 5.14 0.00 0.00 -1.08 0.13 -1.77 -2.83 132.00 131.59 2fee h PRO 380 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2fee h PRO 380 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2fee h PRO 380 CO 0.50 0.06 -0.02 0.00 -0.23 0.00 0.00 178.00 178.31 2fee n GLN 381 N -3.24 0.04 0.04 0.86 0.00 -1.26 -2.69 117.38 111.13 2fee n GLN 381 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 57.00 57.15 2fee n GLN 381 Cb 0.27 -1.55 0.16 0.00 0.00 0.00 0.00 30.24 29.12 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 -1.62 0.41 -3.63 2.61 0.53 -1.07 -4.98 117.16 109.41 2fee n TYR 382 Ca 0.07 0.12 -0.23 0.00 -1.02 0.00 0.00 57.90 56.83 2fee n TYR 382 Cb 0.35 -0.55 0.07 0.00 -1.03 0.00 0.00 39.34 38.19 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 -1.98 -2.52 -1.23 -0.72 8.25 -1.09 -4.94 115.22 110.98 2fee n HIS 383 Ca 0.03 0.96 -0.29 0.00 -0.26 0.00 0.00 57.72 58.17 2fee n HIS 383 Cb 0.42 -4.79 0.16 0.00 1.12 0.00 0.00 29.99 26.90 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 -7.03 1.86 -0.11 2.41 1.43 -1.26 -5.05 118.68 110.92 2fee s LEU 384 Ca 0.41 1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 2fee s LEU 384 Cb -0.19 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.55 2fee s LEU 384 CO 0.76 -2.90 0.07 -0.70 0.23 0.00 0.00 176.35 173.81 2fee s GLU 385 N -5.00 0.03 0.32 1.70 2.12 -1.26 -4.96 118.70 111.65 2fee s GLU 385 Ca 0.64 0.11 0.09 0.00 0.36 0.00 0.00 54.97 56.18 2fee s GLU 385 Cb -0.18 -1.27 0.95 0.00 0.26 0.00 0.00 34.13 33.90 2fee s GLU 385 CO 0.57 -0.52 1.63 0.00 -0.54 0.00 0.00 175.26 176.40 2fee h ALA 386 N 8.42 1.63 0.00 6.30 0.00 -1.91 -0.08 119.26 133.63 2fee h ALA 386 Ca -0.14 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2fee h ALA 386 Cb 1.14 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2fee h ALA 386 CO 0.23 -0.61 0.36 0.78 0.00 0.00 0.00 179.25 180.01 2fee h GLY 387 N 0.17 0.00 1.95 0.00 0.00 -1.87 0.14 103.07 103.46 2fee h GLY 387 Ca 0.67 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.79 2fee h GLY 387 CO -0.71 0.00 -1.02 -0.91 0.00 0.00 0.00 176.54 173.90 2fee h THR 388 N 0.00 1.69 0.04 4.70 1.35 -1.31 -2.86 112.91 116.52 2fee h THR 388 Ca 0.00 -3.37 -0.23 0.00 -0.55 0.00 0.00 66.41 62.27 2fee h THR 388 Cb 0.72 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.98 2fee h THR 388 CO 0.00 0.96 -1.04 -0.26 -0.25 0.00 0.00 175.52 174.94 2fee h PHE 389 N 0.01 0.27 -0.30 4.73 -1.00 -0.90 -2.46 116.94 117.28 2fee h PHE 389 Ca -0.03 -0.18 0.07 0.00 2.81 0.00 0.00 57.97 60.65 2fee h PHE 389 Cb 1.79 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 41.25 2fee h PHE 389 CO 0.01 1.08 -0.26 0.00 -1.61 0.00 0.00 178.31 177.53 2fee h ALA 390 N 0.85 -0.13 0.00 2.45 0.00 -1.41 0.43 119.26 121.45 2fee h ALA 390 Ca -0.06 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2fee h ALA 390 Cb 1.74 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 2fee h ALA 390 CO 0.16 -0.68 -0.50 0.82 0.00 0.00 0.00 179.25 179.05 2fee h ILE 391 N -0.25 1.09 -0.04 0.00 2.04 -1.47 -1.19 117.51 117.70 2fee h ILE 391 Ca 0.15 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2fee h ILE 391 Cb 0.49 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2fee h ILE 391 CO -0.44 0.49 -0.00 0.00 0.00 0.00 0.00 178.15 178.20 2fee h ALA 392 N 1.50 0.05 0.00 1.87 0.00 -1.28 -3.24 119.26 118.16 2fee h ALA 392 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2fee h ALA 392 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2fee h ALA 392 CO 0.07 -0.29 0.00 0.78 0.00 0.00 0.00 179.25 179.81 2fee h GLY 393 N -0.24 0.00 0.99 0.00 0.00 -0.64 -3.31 103.07 99.87 2fee h GLY 393 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 2fee h GLY 393 CO 0.00 0.00 0.05 1.98 0.00 0.00 0.00 176.54 178.57 2fee h MET 394 N 0.00 0.83 -0.62 4.80 -1.53 -1.24 -2.33 114.93 114.85 2fee h MET 394 Ca 0.00 -0.24 0.00 0.00 -3.44 0.00 0.00 59.70 56.02 2fee h MET 394 Cb 0.44 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 2fee h MET 394 CO 0.00 0.85 0.00 0.41 0.14 0.00 0.00 176.91 178.31 2fee n GLY 395 N -0.47 1.91 0.13 1.39 0.00 -1.25 -4.17 105.19 102.74 2fee n GLY 395 Ca 0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 2fee n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee h ALA 396 N 4.12 0.07 -0.38 4.61 0.00 -1.52 -2.72 119.26 123.44 2fee h ALA 396 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 2fee h ALA 396 Cb 0.85 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2fee h ALA 396 CO 0.01 0.94 0.14 1.25 0.00 0.00 0.00 179.25 181.59 2fee h LEU 397 N 0.10 0.53 -0.06 0.00 7.12 -1.80 -0.76 115.31 120.44 2fee h LEU 397 Ca -0.24 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.59 2fee h LEU 397 Cb 2.07 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 42.07 2fee h LEU 397 CO 0.21 0.56 0.06 0.18 -0.13 0.00 0.00 178.44 179.32 2fee n LEU 398 N -4.65 0.02 -0.00 2.25 4.77 -1.23 -0.76 117.00 117.41 2fee n LEU 398 Ca -0.01 0.46 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 2fee n LEU 398 Cb 0.15 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 2fee n LEU 398 CO 0.37 -0.46 -0.06 0.00 -1.33 0.00 0.00 177.39 175.91 2fee n ALA 399 N -1.46 4.16 0.00 -1.18 0.00 -0.35 -2.79 120.51 118.89 2fee n ALA 399 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2fee n ALA 399 Cb 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.42 1.84 -0.05 0.00 0.00 -0.60 -3.56 120.51 116.73 2fee n ALA 400 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2fee n ALA 400 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.98 0.75 0.03 0.00 7.64 0.07 -3.71 113.62 117.42 2fee n SER 401 Ca 0.00 0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.12 2fee n SER 401 Cb 0.00 -0.31 0.09 0.00 -1.01 0.00 0.00 64.21 62.98 2fee n SER 401 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fee n ILE 402 N -3.48 0.18 -3.72 0.44 3.06 -1.25 -0.21 119.36 114.38 2fee n ILE 402 Ca -0.19 -0.20 -0.24 0.00 -2.50 0.00 0.00 62.75 59.62 2fee n ILE 402 Cb 0.61 0.16 0.05 0.00 0.54 0.00 0.00 39.64 40.99 2fee n ILE 402 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2fee n ARG 403 N -1.91 -5.99 -3.44 9.51 5.12 -1.12 -4.40 116.66 114.43 2fee n ARG 403 Ca 0.03 0.69 -0.27 0.00 -1.93 0.00 0.00 57.85 56.37 2fee n ARG 403 Cb 0.42 -5.53 -0.08 0.00 -1.16 0.00 0.00 32.46 26.11 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 -4.55 3.66 -0.03 7.54 0.00 -1.18 -4.99 120.51 120.97 2fee n ALA 404 Ca -0.12 -4.45 -0.12 0.00 0.00 0.00 0.00 53.44 48.75 2fee n ALA 404 Cb 0.60 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 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 4.34 0.17 -0.99 0.00 0.13 -1.84 -0.77 132.00 133.05 2fee h PRO 405 Ca 0.17 -0.06 0.20 0.00 -0.87 0.00 0.00 66.00 65.44 2fee h PRO 405 Cb 0.72 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.74 2fee h PRO 405 CO 0.74 0.47 0.62 1.25 -0.23 0.00 0.00 178.00 180.85 2fee h LEU 406 N -0.15 0.68 -0.31 1.56 5.85 -1.96 0.28 115.31 121.25 2fee h LEU 406 Ca 0.02 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 2fee h LEU 406 Cb 0.41 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2fee h LEU 406 CO 0.01 0.24 -0.35 0.74 -0.34 0.00 0.00 178.44 178.74 2fee h THR 407 N 0.66 1.29 0.30 1.05 2.02 -1.75 -2.90 112.91 113.58 2fee h THR 407 Ca 0.56 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2fee h THR 407 Cb 1.01 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2fee h THR 407 CO -0.33 0.49 -0.25 1.23 0.37 0.00 0.00 175.52 177.03 2fee h GLY 408 N 0.54 -0.60 0.07 2.16 0.00 0.80 0.11 103.07 106.15 2fee h GLY 408 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.67 2fee h GLY 408 CO 0.08 -0.24 -0.25 -2.22 0.00 0.00 0.00 176.54 173.91 2fee h ILE 409 N -0.57 0.00 -0.16 2.60 2.04 -0.72 0.10 117.51 120.80 2fee h ILE 409 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2fee h ILE 409 Cb 0.51 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2fee h ILE 409 CO -0.02 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.66 2fee h ILE 410 N -0.36 0.72 0.29 -0.67 2.04 -1.49 0.34 117.51 118.37 2fee h ILE 410 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2fee h ILE 410 Cb 0.36 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2fee h ILE 410 CO -0.13 0.00 -0.14 0.25 0.00 0.00 0.00 178.15 178.13 2fee h LEU 411 N 0.00 -0.33 -0.02 1.44 5.85 -0.28 -1.63 115.31 120.34 2fee h LEU 411 Ca 0.07 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2fee h LEU 411 Cb 0.34 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2fee h LEU 411 CO -0.00 0.07 -0.14 0.58 -0.34 0.00 0.00 178.44 178.60 2fee h VAL 412 N -0.80 0.65 -0.63 1.05 2.07 0.15 -2.17 116.25 116.57 2fee h VAL 412 Ca -0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.61 2fee h VAL 412 Cb 0.51 0.65 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 2fee h VAL 412 CO 0.07 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.85 2fee h LEU 413 N -0.23 -0.39 -0.57 2.57 5.85 -0.44 0.63 115.31 122.73 2fee h LEU 413 Ca 0.05 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2fee h LEU 413 Cb 0.30 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2fee h LEU 413 CO -0.15 -0.16 0.00 -0.62 -0.34 0.00 0.00 178.44 177.17 2fee n GLU 414 N -5.34 0.13 -0.04 1.25 1.02 -0.61 -0.76 120.64 116.29 2fee n GLU 414 Ca 0.09 0.41 -0.04 0.00 -0.02 0.00 0.00 57.16 57.60 2fee n GLU 414 Cb 0.36 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 2fee n GLU 414 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2fee n MET 415 N -2.02 2.45 -0.01 3.49 2.81 0.65 -4.60 117.12 119.87 2fee n MET 415 Ca 0.02 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.01 2fee n MET 415 Cb 0.18 -1.20 -0.17 0.00 -0.71 0.00 0.00 33.22 31.32 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 -2.35 0.08 -3.97 2.03 -2.24 0.19 -4.60 114.28 103.42 2fee n THR 416 Ca -0.13 -0.51 -0.26 0.00 -2.27 0.00 0.00 64.05 60.87 2fee n THR 416 Cb 0.75 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.28 -0.49 -3.16 3.42 4.64 0.06 -4.76 116.55 113.99 2fee n ASP 417 Ca -0.06 -1.03 -0.30 0.00 -1.38 0.00 0.00 54.79 52.02 2fee n ASP 417 Cb 0.59 -2.93 -0.03 0.00 -1.04 0.00 0.00 41.12 37.71 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 -2.95 5.12 0.09 1.67 3.02 -1.26 -4.90 115.26 116.04 2fee n ASN 418 Ca -0.30 -3.66 0.20 0.00 -0.03 0.00 0.00 54.58 50.79 2fee n ASN 418 Cb 0.68 -0.72 0.71 0.00 -0.61 0.00 0.00 39.78 39.84 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 3.41 0.00 0.00 3.10 3.20 -1.91 0.97 116.97 125.74 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 0.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2fee h TYR 419 CO 0.94 0.00 0.00 -0.56 -1.64 0.00 0.00 178.16 176.90 2fee h GLN 420 N 0.00 0.00 -0.69 1.82 -0.00 -1.95 -1.11 115.11 113.19 2fee h GLN 420 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 2fee h GLN 420 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 2fee h GLN 420 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.11 2fee n LEU 421 N -2.71 4.28 -0.12 0.06 4.77 0.34 -4.55 117.00 119.06 2fee n LEU 421 Ca -0.01 -2.17 -0.07 0.00 -0.03 0.00 0.00 56.01 53.73 2fee n LEU 421 Cb 0.11 -0.61 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2fee n LEU 421 CO 0.17 0.54 1.00 -0.29 -1.33 0.00 0.00 177.39 177.49 2fee h ILE 422 N 2.90 1.02 0.74 -0.08 6.09 -1.36 -0.64 117.51 126.18 2fee h ILE 422 Ca 0.00 -0.15 -0.03 0.00 -1.37 0.00 0.00 64.86 63.31 2fee h ILE 422 Cb 1.49 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2fee h ILE 422 CO 0.32 0.08 -0.50 -0.07 -3.07 0.00 0.00 178.15 174.91 2fee h LEU 423 N 0.44 -1.30 -1.02 2.19 4.07 -1.85 -0.57 115.31 117.27 2fee h LEU 423 Ca 0.15 0.08 0.21 0.00 0.08 0.00 0.00 57.88 58.41 2fee h LEU 423 Cb 0.02 0.39 -0.11 0.00 1.08 0.00 0.00 40.66 42.04 2fee h LEU 423 CO -0.08 -0.74 0.61 -0.65 -1.08 0.00 0.00 178.44 176.49 2fee h PRO 424 N -1.18 0.67 -0.22 1.13 0.11 -1.86 0.20 132.00 130.85 2fee h PRO 424 Ca -0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2fee h PRO 424 Cb 0.96 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2fee h PRO 424 CO 0.07 0.44 0.09 0.52 -0.21 0.00 0.00 178.00 178.91 2fee h MET 425 N 0.69 0.33 0.52 1.05 2.86 -0.79 0.70 114.93 120.28 2fee h MET 425 Ca 0.60 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 58.16 2fee h MET 425 Cb 1.03 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.64 2fee h MET 425 CO -0.41 0.37 -0.25 0.82 1.06 0.00 0.00 176.91 178.50 2fee h ILE 426 N 0.21 0.43 -0.64 -1.22 2.04 -0.28 -1.38 117.51 116.67 2fee h ILE 426 Ca 0.08 -0.30 0.11 0.00 1.00 0.00 0.00 64.86 65.75 2fee h ILE 426 Cb 0.16 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 2fee h ILE 426 CO -0.01 0.04 0.20 0.40 0.00 0.00 0.00 178.15 178.79 2fee h ILE 427 N -0.89 0.69 0.32 -0.67 2.04 -0.60 0.54 117.51 118.93 2fee h ILE 427 Ca -0.07 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2fee h ILE 427 Cb 0.61 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2fee h ILE 427 CO 0.12 0.06 -0.15 0.74 0.00 0.00 0.00 178.15 178.92 2fee h THR 428 N 0.35 0.71 -0.44 -0.27 2.02 -0.89 -1.40 112.91 112.99 2fee h THR 428 Ca 0.33 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.39 2fee h THR 428 Cb 0.47 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 2fee h THR 428 CO -0.37 0.04 0.01 1.23 0.37 0.00 0.00 175.52 176.80 2fee h GLY 429 N -0.53 0.45 0.83 2.16 0.00 -0.01 -0.87 103.07 105.10 2fee h GLY 429 Ca -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2fee h GLY 429 CO 0.07 -0.11 0.03 -2.00 0.00 0.00 0.00 176.54 174.54 2fee h LEU 430 N 0.12 0.28 -2.20 3.11 5.85 0.05 -1.75 115.31 120.77 2fee h LEU 430 Ca 0.22 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2fee h LEU 430 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2fee h LEU 430 CO -0.35 0.46 0.21 1.23 -0.34 0.00 0.00 178.44 179.65 2fee h GLY 431 N 0.09 0.00 0.78 3.75 0.00 -0.77 0.91 103.07 107.83 2fee h GLY 431 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 2fee h GLY 431 CO 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.74 2fee h ALA 432 N 1.76 -0.03 0.00 3.60 0.00 -0.34 -2.87 119.26 121.38 2fee h ALA 432 Ca 0.09 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 2fee h ALA 432 Cb 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2fee h ALA 432 CO -0.00 0.40 -0.42 1.15 0.00 0.00 0.00 179.25 180.38 2fee h THR 433 N -0.21 1.27 -0.22 0.00 2.02 -0.59 -0.67 112.91 114.51 2fee h THR 433 Ca -0.13 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.51 2fee h THR 433 Cb 1.57 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 2fee h THR 433 CO 0.15 0.41 -0.16 -0.07 0.37 0.00 0.00 175.52 176.23 2fee h LEU 434 N 0.00 0.52 0.00 2.58 3.38 -0.94 -2.29 115.31 118.57 2fee h LEU 434 Ca -0.00 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2fee h LEU 434 Cb 0.76 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2fee h LEU 434 CO 0.05 0.86 -0.58 -0.07 0.09 0.00 0.00 178.44 178.80 2fee h LEU 435 N 0.19 0.00 0.00 1.67 -0.00 -1.38 -2.15 115.31 113.64 2fee h LEU 435 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2fee h LEU 435 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2fee h LEU 435 CO 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 178.44 178.58 2fee n ALA 436 N -2.17 2.40 -0.08 1.53 0.00 -0.27 -1.73 120.51 120.19 2fee n ALA 436 Ca 0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 2fee n ALA 436 Cb 0.58 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 2fee n ALA 436 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2fee h GLN 437 N 0.00 0.06 0.00 0.00 4.15 -1.24 -2.63 115.11 115.44 2fee h GLN 437 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2fee h GLN 437 Cb 0.36 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2fee h GLN 437 CO 0.00 1.05 0.00 1.19 -1.93 0.00 0.00 178.83 179.14 2fee n PHE 438 N -4.25 0.00 -0.54 3.99 3.72 -0.82 -1.58 117.46 117.97 2fee n PHE 438 Ca -0.32 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.14 2fee n PHE 438 Cb 0.75 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.39 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 -0.78 1.48 -1.69 4.37 -2.24 -0.71 -5.02 114.28 109.70 2fee n THR 439 Ca 0.11 -1.58 -0.07 0.00 -2.27 0.00 0.00 64.05 60.24 2fee n THR 439 Cb 0.05 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.74 0.49 3.87 3.38 0.00 -0.62 -5.01 105.19 106.56 2fee n GLY 440 Ca 0.10 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.80 1.60 0.02 -0.02 0.00 -0.99 -5.05 107.32 100.08 2fee s GLY 441 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.03 2fee s GLY 441 CO 0.00 -0.13 0.00 0.54 0.00 0.00 0.00 173.10 173.51 2fee s LYS 442 N -5.52 0.37 -0.84 2.90 1.02 -1.26 -4.74 119.74 111.66 2fee s LYS 442 Ca 0.64 -0.61 -0.24 0.00 0.02 0.00 0.00 55.97 55.77 2fee s LYS 442 Cb -0.11 0.14 -0.20 0.00 -0.52 0.00 0.00 37.83 37.14 2fee s LYS 442 CO 0.51 -0.07 2.47 -2.30 -0.92 0.00 0.00 175.35 175.04 2fee n PRO 443 N 1.46 0.34 -0.30 -1.68 -0.02 -1.26 -4.76 135.00 128.78 2fee n PRO 443 Ca -0.23 -0.12 0.35 0.00 -2.02 0.00 0.00 63.50 61.47 2fee n PRO 443 Cb 0.56 -2.20 0.69 0.00 -0.02 0.00 0.00 33.50 32.53 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 15.24 0.00 -0.12 2.45 7.12 -0.80 0.91 115.31 140.11 2fee h LEU 444 Ca -0.07 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.70 2fee h LEU 444 Cb 1.22 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.36 2fee h LEU 444 CO 1.33 0.00 -0.95 1.88 -0.13 0.00 0.00 178.44 180.57 2fee h TYR 445 N 0.00 0.85 -0.12 1.25 0.99 -1.84 -2.97 116.97 115.14 2fee h TYR 445 Ca 0.56 -0.44 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 2fee h TYR 445 Cb 2.55 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 40.17 2fee h TYR 445 CO 0.00 1.27 0.01 0.77 -0.00 0.00 0.00 178.16 180.21 2fee h SER 446 N 0.34 0.19 -0.59 3.88 0.02 0.44 -2.98 113.55 114.85 2fee h SER 446 Ca -0.09 -0.28 0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2fee h SER 446 Cb 1.58 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 64.04 2fee h SER 446 CO 0.18 0.43 0.40 0.00 -1.14 0.00 0.00 176.83 176.69 2fee h ALA 447 N 0.77 2.04 -0.21 3.77 0.00 -1.35 0.27 119.26 124.54 2fee h ALA 447 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2fee h ALA 447 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2fee h ALA 447 CO 0.00 -0.17 -0.42 0.82 0.00 0.00 0.00 179.25 179.49 2fee h ILE 448 N 0.39 1.30 -0.26 0.00 2.04 -1.54 -0.66 117.51 118.79 2fee h ILE 448 Ca 0.27 -1.58 -0.14 0.00 1.00 0.00 0.00 64.86 64.41 2fee h ILE 448 Cb 0.56 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2fee h ILE 448 CO -0.07 0.49 -0.40 0.25 0.00 0.00 0.00 178.15 178.42 2fee h LEU 449 N 0.42 0.80 -0.27 1.44 5.85 -0.72 -1.24 115.31 121.59 2fee h LEU 449 Ca 0.03 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2fee h LEU 449 Cb 0.90 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2fee h LEU 449 CO 0.08 1.16 0.14 0.00 -0.34 0.00 0.00 178.44 179.48 2fee h ALA 450 N 0.66 0.35 -0.02 1.25 0.00 -0.57 0.65 119.26 121.57 2fee h ALA 450 Ca 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2fee h ALA 450 Cb 1.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2fee h ALA 450 CO 0.09 -0.11 -0.21 0.00 0.00 0.00 0.00 179.25 179.02 2fee h ARG 451 N 0.31 -0.32 -0.61 0.00 2.47 -1.14 -1.11 114.38 113.98 2fee h ARG 451 Ca 0.09 0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.74 2fee h ARG 451 Cb 0.09 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 2fee h ARG 451 CO -0.01 -0.21 0.01 1.15 0.56 0.00 0.00 179.97 181.47 2fee h THR 452 N -0.33 1.26 -0.09 2.04 2.02 -0.78 0.64 112.91 117.67 2fee h THR 452 Ca 0.07 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 65.92 2fee h THR 452 Cb 0.42 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2fee h THR 452 CO -0.21 0.41 -0.76 -0.07 0.37 0.00 0.00 175.52 175.27 2fee h LEU 453 N 0.98 0.58 -0.24 2.58 4.07 0.27 -2.90 115.31 120.64 2fee h LEU 453 Ca 0.18 -0.39 -0.21 0.00 0.08 0.00 0.00 57.88 57.53 2fee h LEU 453 Cb 0.54 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2fee h LEU 453 CO 0.03 1.14 -0.83 0.00 -1.08 0.00 0.00 178.44 177.71 2fee h ALA 454 N 0.84 0.42 0.00 1.53 0.00 -1.09 -2.89 119.26 118.06 2fee h ALA 454 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2fee h ALA 454 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2fee h ALA 454 CO 0.14 0.75 0.00 -0.22 0.00 0.00 0.00 179.25 179.91 2fee h LYS 455 N 0.35 0.00 0.06 0.00 3.64 -0.94 0.09 116.57 119.77 2fee h LYS 455 Ca -0.06 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 2fee h LYS 455 Cb 1.44 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.27 2fee h LYS 455 CO 0.15 0.00 -0.73 0.37 -2.27 0.00 0.00 179.45 176.97 2fee h GLN 456 N 0.00 0.39 0.09 1.90 4.15 -1.39 -3.37 115.11 116.88 2fee h GLN 456 Ca 0.00 -0.50 -0.29 0.00 0.77 0.00 0.00 58.65 58.63 2fee h GLN 456 Cb 0.36 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2fee h GLN 456 CO 0.00 1.18 -1.47 1.05 -1.93 0.00 0.00 178.83 177.65 2fee h GLU 457 N -0.16 0.19 -0.00 1.69 4.11 -1.26 -3.52 114.58 115.64 2fee h GLU 457 Ca -0.11 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2fee h GLU 457 Cb 1.48 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2fee h GLU 457 CO 0.14 1.03 0.00 0.00 0.07 0.00 0.00 179.01 180.26