#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bek s VAL 6 N 0.00 5.12 0.00 3.15 1.01 -1.26 -4.88 120.40 123.53 2bek s VAL 6 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2bek s VAL 6 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2bek s VAL 6 CO 0.00 0.22 0.00 -1.14 0.00 0.00 0.00 175.10 174.18 2bek n ARG 7 N 4.40 0.68 -3.85 2.72 0.63 -1.26 -4.94 116.66 115.03 2bek n ARG 7 Ca -0.05 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.53 2bek n ARG 7 Cb 0.51 -0.80 -0.11 0.00 0.45 0.00 0.00 32.46 32.51 2bek n ARG 7 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2bek s ARG 8 N -1.61 3.88 -0.13 -0.14 0.52 -1.26 -0.31 118.95 119.90 2bek s ARG 8 Ca 0.00 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 2bek s ARG 8 Cb 0.00 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.15 2bek s ARG 8 CO 0.00 0.06 -0.18 0.42 0.02 0.00 0.00 175.30 175.62 2bek s ILE 9 N 0.99 1.77 -0.09 1.52 1.01 0.16 -1.35 121.20 125.19 2bek s ILE 9 Ca 0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 2bek s ILE 9 Cb -0.14 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 2bek s ILE 9 CO 0.03 0.49 0.26 0.00 0.00 0.00 0.00 174.94 175.72 2bek s ALA 10 N 1.04 3.75 -0.45 9.38 0.00 -0.48 -0.64 121.76 134.36 2bek s ALA 10 Ca -0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 2bek s ALA 10 Cb -0.15 -2.20 0.08 0.00 0.00 0.00 0.00 23.12 20.86 2bek s ALA 10 CO -0.04 0.44 0.34 -0.51 0.00 0.00 0.00 175.76 175.98 2bek s LEU 11 N -0.66 5.46 0.03 0.00 2.01 -0.00 -1.00 118.68 124.52 2bek s LEU 11 Ca 0.18 -1.49 0.01 0.00 0.01 0.00 0.00 54.13 52.84 2bek s LEU 11 Cb -0.14 -2.08 -0.02 0.00 0.01 0.00 0.00 46.19 43.96 2bek s LEU 11 CO 0.07 -0.62 -0.05 0.00 1.01 0.00 0.00 176.35 176.76 2bek s ALA 12 N 1.52 0.33 0.00 4.21 0.00 -1.16 -2.48 121.76 124.18 2bek s ALA 12 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2bek s ALA 12 Cb -0.24 0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2bek s ALA 12 CO 0.04 -0.08 0.00 -1.71 0.00 0.00 0.00 175.76 174.00 2bek n ASN 13 N 1.63 0.00 0.01 0.00 2.85 -1.26 -4.37 115.26 114.13 2bek n ASN 13 Ca -0.23 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.31 2bek n ASN 13 Cb 0.55 0.00 0.31 0.00 1.24 0.00 0.00 39.78 41.88 2bek n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bek n GLN 14 N 0.00 0.02 -2.43 1.20 10.64 -1.26 -4.43 117.38 121.11 2bek n GLN 14 Ca 0.00 0.29 -0.42 0.00 -1.83 0.00 0.00 57.00 55.04 2bek n GLN 14 Cb 0.00 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 27.81 2bek n GLN 14 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2bek s LYS 15 N -3.04 4.49 0.39 2.61 2.47 -1.26 -4.10 119.74 121.30 2bek s LYS 15 Ca 0.06 1.78 -0.24 0.00 -1.56 0.00 0.00 55.97 56.01 2bek s LYS 15 Cb 0.09 -3.30 -0.09 0.00 -1.46 0.00 0.00 37.83 33.06 2bek s LYS 15 CO 0.26 -0.13 1.02 0.20 0.16 0.00 0.00 175.35 176.86 2bek s GLY 16 N 0.53 2.71 -1.24 5.54 0.00 -1.26 -4.29 107.32 109.31 2bek s GLY 16 Ca 0.55 0.64 -0.00 0.00 0.00 0.00 0.00 44.72 45.91 2bek s GLY 16 CO 0.32 1.06 0.88 0.61 0.00 0.00 0.00 173.10 175.97 2bek n GLY 17 N 0.27 -0.35 0.57 0.20 0.00 -1.26 -4.94 105.19 99.68 2bek n GLY 17 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2bek n GLY 17 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bek n VAL 18 N -4.16 0.72 0.00 1.61 0.24 -1.26 -4.96 118.33 110.52 2bek n VAL 18 Ca -0.29 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 2bek n VAL 18 Cb 0.67 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 2bek n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bek n GLY 19 N 0.52 1.01 0.25 7.63 0.00 -1.26 -4.21 105.19 109.12 2bek n GLY 19 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2bek n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bek h LYS 20 N 0.85 -0.48 -0.30 1.61 1.57 -1.92 -0.77 116.57 117.12 2bek h LYS 20 Ca 0.00 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2bek h LYS 20 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2bek h LYS 20 CO 0.00 -0.32 -0.06 1.15 -0.57 0.00 0.00 179.45 179.64 2bek h THR 21 N -0.50 1.28 -0.90 -0.16 2.02 -1.92 -0.57 112.91 112.15 2bek h THR 21 Ca -0.03 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2bek h THR 21 Cb 0.42 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 2bek h THR 21 CO 0.02 0.35 0.59 0.74 0.37 0.00 0.00 175.52 177.59 2bek h THR 22 N 0.35 1.23 -0.38 3.16 2.02 -1.97 -1.07 112.91 116.25 2bek h THR 22 Ca 0.08 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 2bek h THR 22 Cb 0.54 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2bek h THR 22 CO 0.03 0.23 -0.26 0.74 0.37 0.00 0.00 175.52 176.63 2bek h THR 23 N 1.23 1.28 -0.05 3.16 2.02 -1.02 -1.80 112.91 117.74 2bek h THR 23 Ca 0.33 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 2bek h THR 23 Cb -0.13 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2bek h THR 23 CO -0.07 0.47 0.03 0.00 0.37 0.00 0.00 175.52 176.32 2bek h ALA 24 N 0.78 0.06 0.08 6.16 0.00 -0.64 0.15 119.26 125.86 2bek h ALA 24 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bek h ALA 24 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2bek h ALA 24 CO 0.07 -0.43 -0.04 0.82 0.00 0.00 0.00 179.25 179.68 2bek h ILE 25 N 0.04 1.02 0.00 0.00 2.04 -1.22 -2.09 117.51 117.30 2bek h ILE 25 Ca 0.02 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 2bek h ILE 25 Cb 0.03 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2bek h ILE 25 CO -0.00 0.09 -0.57 0.78 0.00 0.00 0.00 178.15 178.44 2bek h ASN 26 N -0.27 0.00 -0.38 1.72 2.35 -1.30 -1.30 115.58 116.40 2bek h ASN 26 Ca -0.01 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2bek h ASN 26 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2bek h ASN 26 CO 0.02 0.57 -0.18 0.25 -1.65 0.00 0.00 177.43 176.44 2bek h LEU 27 N 0.00 0.82 -0.56 1.61 5.85 -0.69 -2.18 115.31 120.16 2bek h LEU 27 Ca -0.01 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 2bek h LEU 27 Cb 1.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2bek h LEU 27 CO 0.07 1.04 0.33 0.00 -0.34 0.00 0.00 178.44 179.55 2bek h ALA 28 N 0.81 0.72 -0.69 1.25 0.00 -1.14 -0.09 119.26 120.12 2bek h ALA 28 Ca 0.09 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2bek h ALA 28 Cb 0.72 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2bek h ALA 28 CO 0.05 0.20 0.40 0.00 0.00 0.00 0.00 179.25 179.91 2bek h ALA 29 N 1.16 0.91 0.00 0.00 0.00 -1.04 -0.49 119.26 119.82 2bek h ALA 29 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2bek h ALA 29 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bek h ALA 29 CO -0.04 0.11 -0.65 1.88 0.00 0.00 0.00 179.25 180.55 2bek h TYR 30 N 0.75 0.00 -0.15 0.00 0.05 -1.11 -2.78 116.97 113.73 2bek h TYR 30 Ca 0.30 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.90 2bek h TYR 30 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2bek h TYR 30 CO -0.06 0.46 -0.64 -0.07 -1.05 0.00 0.00 178.16 176.80 2bek h LEU 31 N 0.00 0.64 -0.91 3.88 3.38 -0.71 -2.57 115.31 119.02 2bek h LEU 31 Ca -0.03 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2bek h LEU 31 Cb 1.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2bek h LEU 31 CO 0.05 1.11 0.18 0.00 0.09 0.00 0.00 178.44 179.88 2bek h ALA 32 N 0.89 1.12 0.00 1.53 0.00 -1.08 -1.56 119.26 120.15 2bek h ALA 32 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bek h ALA 32 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bek h ALA 32 CO 0.12 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.51 2bek n ARG 33 N -4.26 0.10 -0.14 0.00 1.74 -1.05 -1.38 116.66 111.66 2bek n ARG 33 Ca 0.05 0.30 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 2bek n ARG 33 Cb 0.22 -1.67 0.28 0.00 -1.02 0.00 0.00 32.46 30.27 2bek n ARG 33 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2bek n LEU 34 N -1.85 2.06 0.00 0.55 4.77 -0.63 -4.89 117.00 117.00 2bek n LEU 34 Ca 0.03 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2bek n LEU 34 Cb 0.23 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bek n LEU 34 CO 0.18 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2bek n GLY 35 N 1.18 0.55 3.90 -0.72 0.00 -0.48 -5.06 105.19 104.56 2bek n GLY 35 Ca 0.15 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2bek n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bek s LYS 36 N -1.43 3.60 -0.42 1.61 -0.14 -0.95 -5.03 119.74 116.98 2bek s LYS 36 Ca 0.00 -0.13 -0.20 0.00 -1.36 0.00 0.00 55.97 54.28 2bek s LYS 36 Cb 0.00 -2.85 0.02 0.00 -1.68 0.00 0.00 37.83 33.31 2bek s LYS 36 CO 0.00 0.47 0.60 1.03 -0.76 0.00 0.00 175.35 176.68 2bek s ARG 37 N -2.72 3.33 -0.04 1.68 0.52 -1.26 -4.30 118.95 116.16 2bek s ARG 37 Ca 0.41 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 2bek s ARG 37 Cb -0.12 -3.92 -0.02 0.00 0.52 0.00 0.00 34.95 31.40 2bek s ARG 37 CO 0.25 -0.92 -0.20 0.08 0.02 0.00 0.00 175.30 174.53 2bek s VAL 38 N 2.66 2.59 -0.14 3.52 1.01 -1.26 -0.24 120.40 128.55 2bek s VAL 38 Ca 0.21 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2bek s VAL 38 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2bek s VAL 38 CO 0.17 0.59 -0.22 -0.22 0.00 0.00 0.00 175.10 175.42 2bek s LEU 39 N -0.65 2.12 -0.21 3.92 2.96 -0.76 -1.05 118.68 125.01 2bek s LEU 39 Ca 0.10 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2bek s LEU 39 Cb -0.10 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2bek s LEU 39 CO -0.00 0.09 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.88 2bek s LEU 40 N 0.75 3.10 -0.21 -0.68 2.96 0.66 -0.23 118.68 125.04 2bek s LEU 40 Ca -0.08 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2bek s LEU 40 Cb -0.16 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2bek s LEU 40 CO -0.01 0.03 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.35 2bek s VAL 41 N 1.21 3.73 -0.48 1.68 1.01 0.11 -0.70 120.40 126.97 2bek s VAL 41 Ca 0.03 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2bek s VAL 41 Cb -0.15 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.58 2bek s VAL 41 CO 0.00 0.42 0.63 -0.62 0.00 0.00 0.00 175.10 175.53 2bek s ASP 42 N 1.22 6.25 0.00 3.32 -1.08 -0.82 -0.91 116.67 124.65 2bek s ASP 42 Ca 0.03 -0.70 0.21 0.00 -0.52 0.00 0.00 52.55 51.57 2bek s ASP 42 Cb -0.15 -2.30 0.39 0.00 -1.46 0.00 0.00 42.92 39.40 2bek s ASP 42 CO 0.00 -0.85 1.34 0.18 0.52 0.00 0.00 175.17 176.37 2bek n LEU 43 N 6.21 3.31 -4.69 -1.34 4.77 -0.44 -3.91 117.00 120.91 2bek n LEU 43 Ca -0.05 -1.52 -0.40 0.00 -0.03 0.00 0.00 56.01 54.01 2bek n LEU 43 Cb 0.46 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2bek n LEU 43 CO 0.54 0.72 0.41 0.00 -1.33 0.00 0.00 177.39 177.73 2bek s ALA 44 N -1.38 3.43 0.48 -1.18 0.00 -1.23 -4.55 121.76 117.34 2bek s ALA 44 Ca 0.35 -0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.50 2bek s ALA 44 Cb 0.21 -2.98 1.23 0.00 0.00 0.00 0.00 23.12 21.57 2bek s ALA 44 CO 0.29 -0.31 1.98 -1.35 0.00 0.00 0.00 175.76 176.36 2bek h PRO 45 N 7.04 0.19 -0.14 0.00 0.11 -1.92 0.37 132.00 137.64 2bek h PRO 45 Ca -0.36 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 2bek h PRO 45 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2bek h PRO 45 CO 0.77 0.12 0.00 1.96 -0.21 0.00 0.00 178.00 180.65 2bek h GLN 46 N 0.19 0.20 -4.26 1.05 7.50 -1.95 -3.46 115.11 114.38 2bek h GLN 46 Ca 0.28 -0.02 -0.36 0.00 0.50 0.00 0.00 58.65 59.05 2bek h GLN 46 Cb 0.86 -0.04 0.07 0.00 0.05 0.00 0.00 27.48 28.41 2bek h GLN 46 CO -0.05 0.22 -0.56 0.41 -1.50 0.00 0.00 178.83 177.36 2bek n GLY 47 N -1.26 -0.39 0.29 3.46 0.00 0.13 -4.93 105.19 102.48 2bek n GLY 47 Ca -0.01 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2bek n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bek h ASN 48 N -1.45 1.01 -0.90 1.61 2.35 -1.91 -1.82 115.58 114.48 2bek h ASN 48 Ca -0.48 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 54.94 2bek h ASN 48 Cb 1.33 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 2bek h ASN 48 CO 0.51 1.12 0.59 0.00 -1.65 0.00 0.00 177.43 178.00 2bek h ALA 49 N 0.96 1.14 -0.06 -0.83 0.00 -1.91 0.58 119.26 119.14 2bek h ALA 49 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2bek h ALA 49 Cb 0.67 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2bek h ALA 49 CO 0.05 0.54 0.01 1.15 0.00 0.00 0.00 179.25 181.00 2bek h THR 50 N 1.22 1.21 -0.71 0.00 2.02 -1.86 -2.61 112.91 112.17 2bek h THR 50 Ca 0.33 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 2bek h THR 50 Cb -0.14 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2bek h THR 50 CO -0.07 0.17 0.16 0.28 0.37 0.00 0.00 175.52 176.44 2bek h SER 51 N -0.14 1.08 0.29 4.18 0.02 -1.03 -1.57 113.55 116.38 2bek h SER 51 Ca 0.02 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bek h SER 51 Cb 0.27 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2bek h SER 51 CO 0.00 1.04 0.00 0.61 -1.14 0.00 0.00 176.83 177.34 2bek n GLY 52 N -0.65 -0.84 0.71 -3.77 0.00 0.20 -1.19 105.19 99.64 2bek n GLY 52 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2bek n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bek n LEU 53 N -1.68 3.33 -1.29 0.99 4.77 -0.87 -3.39 117.00 118.85 2bek n LEU 53 Ca 0.01 -2.54 -0.13 0.00 -0.03 0.00 0.00 56.01 53.32 2bek n LEU 53 Cb 0.10 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2bek n LEU 53 CO 0.09 0.69 -0.15 0.61 -1.33 0.00 0.00 177.39 177.30 2bek n GLY 54 N -0.12 0.53 3.59 -0.72 0.00 -0.34 -4.84 105.19 103.30 2bek n GLY 54 Ca 0.16 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2bek n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bek s VAL 55 N -2.58 4.08 -0.35 1.61 1.01 -0.64 -5.03 120.40 118.49 2bek s VAL 55 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2bek s VAL 55 Cb 0.00 -2.74 0.11 0.00 0.00 0.00 0.00 36.38 33.75 2bek s VAL 55 CO 0.00 0.55 0.13 -0.60 0.00 0.00 0.00 175.10 175.18 2bek s ARG 56 N -0.31 0.99 0.16 2.72 3.52 -1.26 -4.08 118.95 120.69 2bek s ARG 56 Ca 0.06 -1.46 0.06 0.00 -0.13 0.00 0.00 55.73 54.26 2bek s ARG 56 Cb -0.12 -2.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 2bek s ARG 56 CO 0.02 -1.03 0.05 0.00 -0.81 0.00 0.00 175.30 173.53 2bek s ALA 57 N 1.15 3.34 -0.11 6.12 0.00 -1.26 -5.01 121.76 125.99 2bek s ALA 57 Ca 0.12 -1.29 0.16 0.00 0.00 0.00 0.00 51.96 50.95 2bek s ALA 57 Cb -0.20 -1.14 -0.21 0.00 0.00 0.00 0.00 23.12 21.57 2bek s ALA 57 CO -0.15 0.51 0.54 0.39 0.00 0.00 0.00 175.76 177.05 2bek n GLU 58 N -0.15 0.65 -4.38 0.00 -0.58 -1.26 -4.81 120.64 110.10 2bek n GLU 58 Ca -0.09 0.16 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 2bek n GLU 58 Cb 0.55 -1.71 -0.13 0.00 -0.57 0.00 0.00 31.44 29.58 2bek n GLU 58 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2bek s ARG 59 N -2.73 1.08 0.00 3.49 0.52 -1.26 -4.96 118.95 115.09 2bek s ARG 59 Ca -0.06 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 2bek s ARG 59 Cb 0.08 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.36 2bek s ARG 59 CO 0.83 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.85 2bek n GLY 60 N 1.57 3.15 0.37 -3.53 0.00 -1.26 -4.71 105.19 100.79 2bek n GLY 60 Ca -0.19 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.65 2bek n GLY 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bek h VAL 61 N 0.00 0.80 -0.75 1.61 3.04 -1.45 -0.90 116.25 118.61 2bek h VAL 61 Ca 0.00 -0.06 0.02 0.00 -1.01 0.00 0.00 66.70 65.64 2bek h VAL 61 Cb 0.00 0.60 -0.04 0.00 -2.01 0.00 0.00 31.29 29.83 2bek h VAL 61 CO 0.00 0.03 0.49 0.22 -1.01 0.00 0.00 177.57 177.30 2bek h TYR 62 N 0.19 0.91 0.00 3.17 5.03 -1.94 -1.75 116.97 122.58 2bek h TYR 62 Ca 0.27 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.53 2bek h TYR 62 Cb 0.81 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2bek h TYR 62 CO -0.00 0.55 -0.33 0.45 -1.32 0.00 0.00 178.16 177.51 2bek h HIS 63 N 0.97 0.00 -0.65 -3.82 -0.00 -1.57 -2.32 115.15 107.76 2bek h HIS 63 Ca 0.29 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.57 2bek h HIS 63 Cb -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 2bek h HIS 63 CO -0.03 0.33 0.08 1.25 -0.00 0.00 0.00 177.93 179.57 2bek h LEU 64 N 0.00 1.06 -1.95 2.43 5.85 -0.91 -0.93 115.31 120.85 2bek h LEU 64 Ca -0.00 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2bek h LEU 64 Cb 0.90 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 2bek h LEU 64 CO 0.04 1.06 -0.09 -0.07 -0.34 0.00 0.00 178.44 179.04 2bek h LEU 65 N 1.01 0.00 -2.02 2.25 3.38 -0.83 -1.91 115.31 117.19 2bek h LEU 65 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bek h LEU 65 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bek h LEU 65 CO 0.02 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.64 2bek n GLN 66 N -3.47 2.49 -0.10 1.13 1.13 -0.49 -4.92 117.38 113.15 2bek n GLN 66 Ca -0.01 -1.83 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 2bek n GLN 66 Cb 0.24 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.05 2bek n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bek n GLY 67 N 1.05 0.53 3.76 1.08 0.00 -0.72 -5.05 105.19 105.85 2bek n GLY 67 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2bek n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bek s GLU 68 N -0.88 4.68 0.29 1.61 0.41 -0.48 -4.98 118.70 119.35 2bek s GLU 68 Ca 0.00 1.72 -0.30 0.00 -0.41 0.00 0.00 54.97 55.98 2bek s GLU 68 Cb 0.00 -3.19 -0.11 0.00 -1.78 0.00 0.00 34.13 29.05 2bek s GLU 68 CO 0.00 0.27 1.57 -2.14 -0.49 0.00 0.00 175.26 174.47 2bek s PRO 69 N -1.42 4.15 0.22 0.39 0.02 -1.26 -4.37 135.00 132.72 2bek s PRO 69 Ca 0.44 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 63.92 2bek s PRO 69 Cb -0.30 -3.04 0.29 0.00 0.02 0.00 0.00 34.50 31.47 2bek s PRO 69 CO 0.38 -0.60 1.82 1.25 -0.33 0.00 0.00 177.00 179.52 2bek h LEU 70 N 4.87 0.62 -1.43 -5.54 5.85 -1.93 -2.82 115.31 114.93 2bek h LEU 70 Ca -0.47 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.46 2bek h LEU 70 Cb 1.22 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2bek h LEU 70 CO 0.79 0.39 0.57 -0.33 -0.34 0.00 0.00 178.44 179.53 2bek h GLU 71 N 0.76 0.50 -0.27 1.25 3.07 -1.94 -0.26 114.58 117.67 2bek h GLU 71 Ca 0.33 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2bek h GLU 71 Cb 0.22 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2bek h GLU 71 CO -0.19 0.33 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 2bek n GLY 72 N -1.48 0.58 0.00 -3.84 0.00 -1.07 -4.04 105.19 95.35 2bek n GLY 72 Ca 0.18 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.80 2bek n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bek n LEU 73 N 0.51 0.00 -4.80 0.99 4.77 -0.13 -5.04 117.00 113.30 2bek n LEU 73 Ca 0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.78 2bek n LEU 73 Cb 0.34 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 2bek n LEU 73 CO 0.11 0.01 0.70 0.68 -1.33 0.00 0.00 177.39 177.56 2bek s VAL 74 N -2.51 3.97 -0.12 4.08 -7.23 -1.05 -4.55 120.40 112.99 2bek s VAL 74 Ca -0.03 1.36 0.02 0.00 -1.81 0.00 0.00 61.98 61.52 2bek s VAL 74 Cb 0.05 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 2bek s VAL 74 CO 0.31 -0.13 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.80 2bek s HIS 75 N -1.88 2.71 -0.05 2.82 3.76 0.23 -4.90 115.29 117.97 2bek s HIS 75 Ca 0.61 -0.86 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 2bek s HIS 75 Cb -0.17 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2bek s HIS 75 CO 0.21 -0.33 1.07 -1.25 -0.85 0.00 0.00 174.74 173.59 2bek s PRO 76 N 0.41 4.44 -0.13 8.40 0.04 -1.26 -0.76 135.00 146.14 2bek s PRO 76 Ca -0.13 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 2bek s PRO 76 Cb -0.17 -3.50 0.06 0.00 0.04 0.00 0.00 34.50 30.93 2bek s PRO 76 CO 0.06 -0.28 0.30 0.14 0.04 0.00 0.00 177.00 177.27 2bek s VAL 77 N 1.71 -0.20 -1.70 -0.36 -7.23 -0.28 -4.95 120.40 107.39 2bek s VAL 77 Ca 0.52 0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.71 2bek s VAL 77 Cb -0.22 -0.47 0.15 0.00 0.56 0.00 0.00 36.38 36.39 2bek s VAL 77 CO 0.23 0.07 0.67 -0.67 -0.31 0.00 0.00 175.10 175.09 2bek n ASP 78 N 4.67 -2.45 0.00 4.85 4.64 -1.26 -1.28 116.55 125.72 2bek n ASP 78 Ca -0.18 -1.07 0.00 0.00 -1.38 0.00 0.00 54.79 52.16 2bek n ASP 78 Cb 0.52 -2.52 0.00 0.00 -1.04 0.00 0.00 41.12 38.09 2bek n ASP 78 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2bek n GLY 79 N -1.48 1.30 1.15 0.27 0.00 -1.26 -4.85 105.19 100.32 2bek n GLY 79 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2bek n GLY 79 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bek n PHE 80 N -2.00 0.05 -4.77 1.61 -1.74 -0.40 -4.76 117.46 105.44 2bek n PHE 80 Ca 0.00 -0.90 -0.31 0.00 -0.56 0.00 0.00 57.45 55.68 2bek n PHE 80 Cb 0.00 -0.00 -0.13 0.00 1.52 0.00 0.00 39.48 40.87 2bek n PHE 80 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 2bek s HIS 81 N -2.07 2.55 -0.13 2.97 3.76 -0.21 -1.12 115.29 121.04 2bek s HIS 81 Ca 0.07 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.74 2bek s HIS 81 Cb 0.00 -1.49 -0.00 0.00 1.11 0.00 0.00 32.58 32.20 2bek s HIS 81 CO 0.05 0.21 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.79 2bek s LEU 82 N -1.23 2.36 -0.56 0.89 2.96 0.07 -0.25 118.68 122.92 2bek s LEU 82 Ca 0.14 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 2bek s LEU 82 Cb -0.10 -1.51 0.14 0.00 0.50 0.00 0.00 46.19 45.22 2bek s LEU 82 CO 0.04 0.13 0.47 -0.22 -1.32 0.00 0.00 176.35 175.45 2bek s LEU 83 N 0.52 5.99 0.73 -0.68 2.96 0.13 -0.60 118.68 127.72 2bek s LEU 83 Ca -0.12 -2.07 -0.14 0.00 -0.22 0.00 0.00 54.13 51.59 2bek s LEU 83 Cb -0.16 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.47 2bek s LEU 83 CO 0.04 -0.70 1.15 -2.16 -1.32 0.00 0.00 176.35 173.36 2bek s PRO 84 N 1.14 2.26 0.30 0.98 0.04 -1.26 -1.95 135.00 136.51 2bek s PRO 84 Ca 0.08 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 2bek s PRO 84 Cb -0.24 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2bek s PRO 84 CO -0.01 -1.69 0.64 0.00 0.04 0.00 0.00 177.00 175.98 2bek s ALA 85 N -2.32 3.47 0.17 8.56 0.00 -1.25 -1.37 121.76 129.02 2bek s ALA 85 Ca 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 2bek s ALA 85 Cb -0.24 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2bek s ALA 85 CO 0.47 0.30 0.09 0.95 0.00 0.00 0.00 175.76 177.56 2bek s THR 86 N -2.04 0.12 -0.66 0.00 -4.23 -1.26 -4.70 115.64 102.87 2bek s THR 86 Ca 0.49 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 2bek s THR 86 Cb -0.11 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.53 2bek s THR 86 CO 0.24 -0.22 1.30 -0.81 -0.54 0.00 0.00 174.62 174.59 2bek n PRO 87 N -0.21 0.06 0.28 3.99 -0.04 -1.26 -1.77 135.00 136.06 2bek n PRO 87 Ca -0.02 0.55 0.18 0.00 -0.04 0.00 0.00 63.50 64.17 2bek n PRO 87 Cb 0.65 -1.70 0.80 0.00 -0.04 0.00 0.00 33.50 33.21 2bek n PRO 87 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2bek h ASP 88 N 0.00 0.00 0.58 3.54 5.19 -1.95 -2.86 116.42 120.93 2bek h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bek h ASP 88 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2bek h ASP 88 CO 0.00 0.00 0.00 -0.07 -3.12 0.00 0.00 179.24 176.05 2bek h LEU 89 N 0.00 0.00 0.16 1.55 3.38 -1.71 -1.91 115.31 116.78 2bek h LEU 89 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bek h LEU 89 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2bek h LEU 89 CO 0.00 0.00 -0.08 0.58 0.09 0.00 0.00 178.44 179.03 2bek h VAL 90 N 0.00 0.93 0.00 1.22 2.07 -1.74 -2.65 116.25 116.07 2bek h VAL 90 Ca 0.00 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 2bek h VAL 90 Cb 0.29 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2bek h VAL 90 CO 0.00 0.09 -0.41 1.23 0.02 0.00 0.00 177.57 178.50 2bek h GLY 91 N -0.40 0.00 1.56 2.17 0.00 -1.69 -2.97 103.07 101.74 2bek h GLY 91 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.35 2bek h GLY 91 CO 0.04 0.00 0.20 0.00 0.00 0.00 0.00 176.54 176.78 2bek h ALA 92 N 1.59 2.02 -0.37 3.60 0.00 -1.03 -0.76 119.26 124.30 2bek h ALA 92 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2bek h ALA 92 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2bek h ALA 92 CO 0.05 -0.07 0.25 0.00 0.00 0.00 0.00 179.25 179.48 2bek h THR 93 N 0.20 1.01 0.08 0.00 1.03 -1.31 -0.82 112.91 113.11 2bek h THR 93 Ca 0.13 -0.12 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 2bek h THR 93 Cb 0.25 0.62 -0.03 0.00 -1.07 0.00 0.00 68.15 67.92 2bek h THR 93 CO -0.02 0.07 -1.90 0.52 -0.01 0.00 0.00 175.52 174.17 2bek n VAL 94 N -4.48 1.69 -0.24 0.00 0.31 -0.63 -4.22 118.33 110.75 2bek n VAL 94 Ca 0.04 -0.49 0.02 0.00 -0.01 0.00 0.00 64.34 63.90 2bek n VAL 94 Cb 0.17 -1.78 0.25 0.00 -0.91 0.00 0.00 33.84 31.57 2bek n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2bek h GLU 95 N -0.24 0.98 -0.01 5.55 5.08 -0.99 -2.48 114.58 122.47 2bek h GLU 95 Ca -0.44 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2bek h GLU 95 Cb 1.83 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2bek h GLU 95 CO -0.02 0.65 0.00 1.28 -1.00 0.00 0.00 179.01 179.92 2bek n LEU 96 N -4.44 0.24 -4.68 1.33 4.77 -0.33 -4.84 117.00 109.05 2bek n LEU 96 Ca 0.10 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2bek n LEU 96 Cb 0.09 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2bek n LEU 96 CO 0.35 0.04 1.46 0.00 -1.33 0.00 0.00 177.39 177.91 2bek s ALA 97 N -1.99 3.67 0.00 -1.18 0.00 -0.94 -1.12 121.76 120.21 2bek s ALA 97 Ca 0.42 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2bek s ALA 97 Cb 0.20 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2bek s ALA 97 CO 0.33 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2bek n GLY 98 N 4.24 0.75 2.45 0.00 0.00 -1.26 -4.95 105.19 106.42 2bek n GLY 98 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2bek n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bek n ALA 99 N -0.44 3.13 0.31 4.61 0.00 -0.27 -4.93 120.51 122.91 2bek n ALA 99 Ca 0.00 -3.96 0.15 0.00 0.00 0.00 0.00 53.44 49.63 2bek n ALA 99 Cb 0.00 -0.85 0.67 0.00 0.00 0.00 0.00 19.45 19.28 2bek n ALA 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bek h PRO 100 N 3.29 0.00 -0.67 0.00 0.13 -1.91 -2.94 132.00 129.90 2bek h PRO 100 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2bek h PRO 100 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2bek h PRO 100 CO 0.63 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.65 2bek n THR 101 N -2.63 1.21 -0.11 1.56 -2.24 -1.26 -3.95 114.28 106.86 2bek n THR 101 Ca 0.00 -1.06 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 2bek n THR 101 Cb 0.20 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 2bek n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bek h ALA 102 N 3.99 0.46 -0.28 6.98 0.00 -1.89 -1.81 119.26 126.71 2bek h ALA 102 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2bek h ALA 102 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2bek h ALA 102 CO 0.06 -0.16 -0.02 1.25 0.00 0.00 0.00 179.25 180.38 2bek h LEU 103 N 0.41 0.50 -0.81 0.00 5.85 -1.85 -2.41 115.31 117.00 2bek h LEU 103 Ca 0.15 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.65 2bek h LEU 103 Cb 0.04 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 2bek h LEU 103 CO -0.09 0.70 0.46 -0.09 -0.34 0.00 0.00 178.44 179.08 2bek h ARG 104 N 0.29 0.73 0.00 1.25 2.43 -1.76 -0.39 114.38 116.93 2bek h ARG 104 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2bek h ARG 104 Cb 0.46 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2bek h ARG 104 CO 0.02 0.49 0.00 0.93 -1.51 0.00 0.00 179.97 179.89 2bek h GLU 105 N 0.76 0.00 0.00 0.20 4.39 -1.25 -3.25 114.58 115.43 2bek h GLU 105 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2bek h GLU 105 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2bek h GLU 105 CO -0.26 0.00 -1.52 0.00 -1.16 0.00 0.00 179.01 176.07 2bek n ALA 106 N -1.92 3.48 -2.45 3.43 0.00 -0.51 -4.83 120.51 117.72 2bek n ALA 106 Ca 0.04 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 2bek n ALA 106 Cb 0.41 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 2bek n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bek s LEU 107 N -4.00 3.50 -1.25 0.00 1.43 -0.27 -4.86 118.68 113.23 2bek s LEU 107 Ca -0.01 -1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 51.36 2bek s LEU 107 Cb 0.14 -2.57 0.18 0.00 0.03 0.00 0.00 46.19 43.97 2bek s LEU 107 CO 0.88 -1.73 1.71 0.54 0.23 0.00 0.00 176.35 177.97 2bek n ARG 108 N 8.70 3.57 -0.68 1.70 5.12 -1.26 -4.71 116.66 129.10 2bek n ARG 108 Ca 0.39 -3.68 0.01 0.00 -1.93 0.00 0.00 57.85 52.64 2bek n ARG 108 Cb 0.49 -2.94 0.25 0.00 -1.16 0.00 0.00 32.46 29.09 2bek n ARG 108 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2bek n ASP 109 N 4.35 3.62 0.18 0.55 5.68 -1.26 -4.69 116.55 124.98 2bek n ASP 109 Ca 0.38 -3.30 0.11 0.00 -0.50 0.00 0.00 54.79 51.47 2bek n ASP 109 Cb 0.38 -0.62 0.57 0.00 -1.14 0.00 0.00 41.12 40.31 2bek n ASP 109 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2bek h GLU 110 N 1.68 0.00 -0.02 0.11 9.09 -2.03 -0.63 114.58 122.78 2bek h GLU 110 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2bek h GLU 110 Cb 1.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.81 2bek h GLU 110 CO 0.39 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.86 2bek n GLY 111 N -1.28 -0.75 3.56 1.06 0.00 -1.26 -4.84 105.19 101.68 2bek n GLY 111 Ca -0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2bek n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bek s TYR 112 N -1.98 2.66 -0.05 1.61 2.02 -0.25 -4.96 117.35 116.40 2bek s TYR 112 Ca 0.38 -0.20 -0.19 0.00 -0.37 0.00 0.00 57.07 56.69 2bek s TYR 112 Cb 0.18 -1.36 -0.31 0.00 -0.40 0.00 0.00 41.96 40.07 2bek s TYR 112 CO 0.30 0.45 0.83 -0.44 -1.57 0.00 0.00 175.55 175.12 2bek h ASP 113 N 3.38 0.52 -4.51 2.29 3.32 -0.92 -3.47 116.42 117.02 2bek h ASP 113 Ca -0.48 -0.92 -0.24 0.00 0.02 0.00 0.00 57.03 55.40 2bek h ASP 113 Cb 1.18 -0.17 -0.24 0.00 0.22 0.00 0.00 39.33 40.33 2bek h ASP 113 CO 0.51 1.51 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.06 2bek s LEU 114 N -7.74 2.16 -0.09 1.55 1.43 -0.93 -4.76 118.68 110.30 2bek s LEU 114 Ca -0.14 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2bek s LEU 114 Cb 0.02 -0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.19 2bek s LEU 114 CO 0.84 -0.15 -0.11 -0.69 0.23 0.00 0.00 176.35 176.46 2bek s VAL 115 N -0.95 1.18 -0.15 -1.59 1.01 0.58 -1.83 120.40 118.65 2bek s VAL 115 Ca -0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2bek s VAL 115 Cb -0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2bek s VAL 115 CO -0.00 0.38 -0.05 -0.76 0.00 0.00 0.00 175.10 174.67 2bek s LEU 116 N 1.09 3.20 -0.26 3.92 1.43 0.68 0.37 118.68 129.11 2bek s LEU 116 Ca -0.06 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2bek s LEU 116 Cb -0.14 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2bek s LEU 116 CO -0.02 0.18 -0.03 -0.76 0.23 0.00 0.00 176.35 175.96 2bek s LEU 117 N 0.27 3.39 -0.36 1.79 1.43 0.19 0.05 118.68 125.44 2bek s LEU 117 Ca -0.04 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 51.94 2bek s LEU 117 Cb -0.14 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2bek s LEU 117 CO 0.03 -0.16 0.66 -0.62 0.23 0.00 0.00 176.35 176.49 2bek s ASP 118 N 1.34 6.45 0.12 2.29 2.15 -0.09 -0.82 116.67 128.11 2bek s ASP 118 Ca -0.00 0.19 0.02 0.00 0.43 0.00 0.00 52.55 53.19 2bek s ASP 118 Cb -0.17 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 2bek s ASP 118 CO -0.03 -0.61 0.23 0.00 -0.17 0.00 0.00 175.17 174.59 2bek s ALA 119 N 2.77 3.90 0.76 3.66 0.00 -1.03 -1.33 121.76 130.48 2bek s ALA 119 Ca 0.25 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 2bek s ALA 119 Cb -0.14 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.31 2bek s ALA 119 CO 0.15 0.62 1.10 -1.25 0.00 0.00 0.00 175.76 176.38 2bek s PRO 120 N -2.98 2.42 -1.25 0.00 0.04 -1.26 -4.84 135.00 127.13 2bek s PRO 120 Ca 0.34 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 61.77 2bek s PRO 120 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2bek s PRO 120 CO 0.27 -1.37 1.89 -0.35 0.04 0.00 0.00 177.00 177.48 2bek n PRO 121 N -3.25 2.59 -3.88 0.56 -0.04 -1.26 -4.73 135.00 124.99 2bek n PRO 121 Ca 0.07 -2.83 0.01 0.00 -0.04 0.00 0.00 63.50 60.71 2bek n PRO 121 Cb 0.57 -3.46 0.01 0.00 -0.04 0.00 0.00 33.50 30.57 2bek n PRO 121 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2bek s SER 122 N 4.66 -0.01 -0.33 3.54 1.04 -1.26 -4.78 113.70 116.56 2bek s SER 122 Ca 0.57 -0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.78 2bek s SER 122 Cb 0.06 0.23 0.46 0.00 0.10 0.00 0.00 66.02 66.87 2bek s SER 122 CO 0.07 -0.45 1.37 -0.11 0.98 0.00 0.00 173.24 175.10 2bek n LEU 123 N -0.76 4.71 -4.70 2.42 -0.00 -1.26 -4.63 117.00 112.77 2bek n LEU 123 Ca -0.01 -4.31 -0.29 0.00 -0.00 0.00 0.00 56.01 51.41 2bek n LEU 123 Cb 0.60 -0.53 0.18 0.00 -0.00 0.00 0.00 43.42 43.67 2bek n LEU 123 CO 0.16 1.70 0.67 -0.94 -0.00 0.00 0.00 177.39 178.97 2bek s SER 124 N -3.04 2.54 0.53 1.96 1.04 -1.26 -4.69 113.70 110.77 2bek s SER 124 Ca 0.49 0.95 0.25 0.00 0.48 0.00 0.00 55.95 58.12 2bek s SER 124 Cb 0.42 -1.48 1.40 0.00 0.10 0.00 0.00 66.02 66.46 2bek s SER 124 CO 0.00 -3.16 2.00 -0.65 0.98 0.00 0.00 173.24 172.42 2bek h PRO 125 N -1.91 0.00 -0.36 4.02 0.11 -1.90 -0.43 132.00 131.52 2bek h PRO 125 Ca -0.51 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2bek h PRO 125 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2bek h PRO 125 CO 0.54 0.00 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.13 2bek h LEU 126 N 0.00 0.75 -0.62 2.35 3.38 -1.88 0.17 115.31 119.46 2bek h LEU 126 Ca 0.24 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 2bek h LEU 126 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2bek h LEU 126 CO -0.00 0.96 -0.23 0.74 0.09 0.00 0.00 178.44 180.00 2bek h THR 127 N 0.52 1.27 -0.83 0.22 2.02 -1.49 -1.87 112.91 112.76 2bek h THR 127 Ca 0.09 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 2bek h THR 127 Cb 0.66 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2bek h THR 127 CO 0.04 0.46 0.41 -0.07 0.37 0.00 0.00 175.52 176.73 2bek h LEU 128 N 0.73 1.09 -1.04 2.58 3.38 -0.95 -0.53 115.31 120.56 2bek h LEU 128 Ca 0.10 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2bek h LEU 128 Cb 0.77 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2bek h LEU 128 CO 0.06 0.91 -0.05 0.78 0.09 0.00 0.00 178.44 180.24 2bek h ASN 129 N 1.18 0.61 -0.37 -0.43 2.35 -0.67 0.87 115.58 119.12 2bek h ASN 129 Ca 0.29 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2bek h ASN 129 Cb 0.11 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2bek h ASN 129 CO -0.04 0.71 -0.03 0.00 -1.65 0.00 0.00 177.43 176.42 2bek h ALA 130 N 1.36 0.50 -0.01 -0.83 0.00 -0.56 -1.85 119.26 117.87 2bek h ALA 130 Ca 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2bek h ALA 130 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2bek h ALA 130 CO 0.02 0.29 -0.57 -0.07 0.00 0.00 0.00 179.25 178.92 2bek h LEU 131 N 0.47 0.04 -0.16 0.00 3.38 -0.77 -1.50 115.31 116.77 2bek h LEU 131 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2bek h LEU 131 Cb 0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2bek h LEU 131 CO 0.02 0.61 -0.18 0.00 0.09 0.00 0.00 178.44 178.98 2bek h ALA 132 N 1.40 0.89 0.00 1.53 0.00 -0.75 -3.30 119.26 119.03 2bek h ALA 132 Ca -0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2bek h ALA 132 Cb 1.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2bek h ALA 132 CO 0.08 0.23 -1.88 0.00 0.00 0.00 0.00 179.25 177.68 2bek n ALA 133 N -2.15 1.53 -1.70 0.00 0.00 -0.70 -4.84 120.51 112.65 2bek n ALA 133 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 53.44 52.26 2bek n ALA 133 Cb 0.58 -0.68 0.07 0.00 0.00 0.00 0.00 19.45 19.42 2bek n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bek s ALA 134 N -2.60 2.56 -0.05 0.00 0.00 -0.58 -4.89 121.76 116.20 2bek s ALA 134 Ca -0.06 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2bek s ALA 134 Cb 0.08 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 20.00 2bek s ALA 134 CO 0.83 -1.44 0.11 0.39 0.00 0.00 0.00 175.76 175.64 2bek n GLU 135 N -3.23 1.59 -4.13 0.00 4.71 -0.46 -4.58 120.64 114.53 2bek n GLU 135 Ca 0.07 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.16 57.06 2bek n GLU 135 Cb 0.57 -1.22 -0.11 0.00 -1.01 0.00 0.00 31.44 29.67 2bek n GLU 135 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2bek s GLY 136 N -3.64 0.68 -0.05 0.62 0.00 -0.79 -1.37 107.32 102.77 2bek s GLY 136 Ca -0.04 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.59 2bek s GLY 136 CO 0.37 -1.20 -0.11 0.14 0.00 0.00 0.00 173.10 172.30 2bek s VAL 137 N -2.69 1.01 -0.23 1.40 1.01 -0.13 -1.38 120.40 119.38 2bek s VAL 137 Ca 0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2bek s VAL 137 Cb -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2bek s VAL 137 CO -0.02 0.32 0.02 -0.69 0.00 0.00 0.00 175.10 174.72 2bek s VAL 138 N 0.48 3.93 -0.43 2.92 1.01 -0.17 0.05 120.40 128.19 2bek s VAL 138 Ca -0.10 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2bek s VAL 138 Cb -0.13 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.51 2bek s VAL 138 CO 0.02 0.38 0.29 -0.69 0.00 0.00 0.00 175.10 175.10 2bek s VAL 139 N 1.47 4.53 0.03 2.92 1.01 -0.28 -2.99 120.40 127.10 2bek s VAL 139 Ca 0.05 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 2bek s VAL 139 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2bek s VAL 139 CO 0.01 -0.50 1.08 -2.84 0.00 0.00 0.00 175.10 172.85 2bek s PRO 140 N 1.49 4.51 -0.21 2.72 0.02 -1.26 -0.85 135.00 141.42 2bek s PRO 140 Ca 0.03 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.63 2bek s PRO 140 Cb -0.23 -3.41 0.05 0.00 0.02 0.00 0.00 34.50 30.94 2bek s PRO 140 CO 0.04 -0.13 -0.06 0.08 -0.33 0.00 0.00 177.00 176.59 2bek s VAL 141 N 1.00 1.41 0.43 3.83 1.01 0.15 -4.88 120.40 123.34 2bek s VAL 141 Ca 0.55 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 2bek s VAL 141 Cb -0.25 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 2bek s VAL 141 CO 0.29 0.02 1.45 -1.58 0.00 0.00 0.00 175.10 175.28 2bek s GLN 142 N 1.47 3.80 -0.35 2.72 0.74 -1.26 -1.34 119.66 125.44 2bek s GLN 142 Ca -0.03 2.48 -0.06 0.00 0.05 0.00 0.00 55.36 57.81 2bek s GLN 142 Cb -0.17 -2.75 -0.17 0.00 1.10 0.00 0.00 33.01 31.02 2bek s GLN 142 CO -0.07 -0.75 2.84 0.00 -0.55 0.00 0.00 175.29 176.76 2bek n ALA 143 N -0.01 5.47 -2.33 1.58 0.00 -0.45 -4.42 120.51 120.35 2bek n ALA 143 Ca 0.04 -1.79 -0.20 0.00 0.00 0.00 0.00 53.44 51.48 2bek n ALA 143 Cb 0.41 -2.55 -0.08 0.00 0.00 0.00 0.00 19.45 17.23 2bek n ALA 143 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2bek s GLU 144 N 1.80 1.72 0.03 0.00 2.02 -1.26 -3.79 118.70 119.22 2bek s GLU 144 Ca 0.53 -2.00 -0.27 0.00 0.02 0.00 0.00 54.97 53.25 2bek s GLU 144 Cb 0.22 0.05 -0.17 0.00 0.10 0.00 0.00 34.13 34.33 2bek s GLU 144 CO -0.01 -0.56 1.39 -0.92 0.02 0.00 0.00 175.26 175.18 2bek h TYR 145 N 2.12 -0.49 -0.61 1.61 3.20 -1.93 -2.87 116.97 117.99 2bek h TYR 145 Ca -0.29 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.65 2bek h TYR 145 Cb 1.25 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.61 2bek h TYR 145 CO 1.44 -0.20 0.24 1.88 -1.64 0.00 0.00 178.16 179.88 2bek h TYR 146 N -0.74 0.42 -0.73 -3.82 0.05 -1.99 0.90 116.97 111.06 2bek h TYR 146 Ca -0.05 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2bek h TYR 146 Cb 0.51 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 2bek h TYR 146 CO -0.00 0.12 0.21 0.00 -1.05 0.00 0.00 178.16 177.43 2bek h ALA 147 N 1.41 0.96 -0.39 3.88 0.00 -1.83 -2.57 119.26 120.73 2bek h ALA 147 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bek h ALA 147 Cb 0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2bek h ALA 147 CO -0.29 0.67 0.18 1.25 0.00 0.00 0.00 179.25 181.05 2bek h LEU 148 N 1.10 0.52 -2.16 0.00 5.85 -1.08 -2.72 115.31 116.81 2bek h LEU 148 Ca 0.23 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2bek h LEU 148 Cb 0.34 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2bek h LEU 148 CO -0.00 0.51 0.01 -0.08 -0.34 0.00 0.00 178.44 178.54 2bek h GLU 149 N 0.49 0.00 0.00 1.25 4.22 -0.60 -2.72 114.58 117.21 2bek h GLU 149 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 2bek h GLU 149 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2bek h GLU 149 CO -0.02 0.00 -0.31 0.78 -2.18 0.00 0.00 179.01 177.28 2bek h GLY 150 N 0.00 0.00 0.44 1.92 0.00 -1.14 -3.38 103.07 100.91 2bek h GLY 150 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.41 2bek h GLY 150 CO -0.00 0.00 0.05 -2.08 0.00 0.00 0.00 176.54 174.51 2bek h VAL 151 N 0.00 0.75 -0.21 4.60 2.07 -1.44 -1.34 116.25 120.68 2bek h VAL 151 Ca 0.00 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2bek h VAL 151 Cb 0.76 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2bek h VAL 151 CO 0.00 0.03 -0.16 0.00 0.02 0.00 0.00 177.57 177.46 2bek h ALA 152 N 1.33 -0.01 -0.36 1.67 0.00 -1.79 -0.33 119.26 119.77 2bek h ALA 152 Ca 0.20 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2bek h ALA 152 Cb 0.26 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2bek h ALA 152 CO -0.29 -0.58 -0.04 0.78 0.00 0.00 0.00 179.25 179.12 2bek h GLY 153 N -0.16 0.64 0.89 0.00 0.00 -1.76 -2.48 103.07 100.19 2bek h GLY 153 Ca 0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2bek h GLY 153 CO -0.31 0.38 0.07 -2.00 0.00 0.00 0.00 176.54 174.68 2bek h LEU 154 N 0.56 0.43 -1.38 3.11 6.46 -0.44 -1.70 115.31 122.34 2bek h LEU 154 Ca 0.11 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.58 2bek h LEU 154 Cb 0.41 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2bek h LEU 154 CO 0.02 0.55 -0.28 -0.07 -0.62 0.00 0.00 178.44 178.04 2bek h LEU 155 N 0.29 0.04 -0.62 2.25 3.38 -0.96 -1.33 115.31 118.37 2bek h LEU 155 Ca 0.09 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2bek h LEU 155 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2bek h LEU 155 CO 0.00 0.33 -0.40 0.00 0.09 0.00 0.00 178.44 178.46 2bek h ALA 156 N 1.68 0.80 -0.30 1.53 0.00 -1.17 -2.29 119.26 119.50 2bek h ALA 156 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2bek h ALA 156 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2bek h ALA 156 CO 0.04 0.65 -0.17 1.15 0.00 0.00 0.00 179.25 180.92 2bek h THR 157 N 0.52 1.29 -0.45 0.00 2.02 -0.67 -2.14 112.91 113.48 2bek h THR 157 Ca 0.04 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 65.98 2bek h THR 157 Cb 0.92 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2bek h THR 157 CO 0.08 0.41 0.30 -0.07 0.37 0.00 0.00 175.52 176.61 2bek h LEU 158 N 0.40 0.41 -0.60 2.58 3.38 -1.16 -0.65 115.31 119.67 2bek h LEU 158 Ca 0.06 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2bek h LEU 158 Cb 0.70 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2bek h LEU 158 CO 0.05 0.28 -0.33 -0.08 0.09 0.00 0.00 178.44 178.45 2bek h GLU 159 N 0.47 0.75 -0.04 1.13 4.57 -1.07 -1.46 114.58 118.94 2bek h GLU 159 Ca 0.19 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 2bek h GLU 159 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2bek h GLU 159 CO -0.05 0.97 -0.19 0.93 -1.18 0.00 0.00 179.01 179.49 2bek h GLU 160 N 0.63 0.06 0.07 1.92 5.08 -0.49 -0.17 114.58 121.67 2bek h GLU 160 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2bek h GLU 160 Cb 0.86 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2bek h GLU 160 CO 0.07 0.25 -0.03 0.28 -1.00 0.00 0.00 179.01 178.59 2bek h VAL 161 N 0.05 1.24 0.00 3.13 2.07 -0.83 -3.09 116.25 118.82 2bek h VAL 161 Ca 0.01 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 2bek h VAL 161 Cb 0.38 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2bek h VAL 161 CO 0.03 0.31 -0.00 -0.09 0.02 0.00 0.00 177.57 177.83 2bek h ARG 162 N -0.70 0.00 -0.70 1.57 2.43 -1.08 0.16 114.38 116.06 2bek h ARG 162 Ca -0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2bek h ARG 162 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2bek h ARG 162 CO 0.02 0.00 0.30 0.00 -1.51 0.00 0.00 179.97 178.78 2bek h ALA 163 N 2.00 1.22 0.00 2.80 0.00 -0.94 -3.20 119.26 121.15 2bek h ALA 163 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bek h ALA 163 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bek h ALA 163 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2bek n GLY 164 N -1.02 -0.51 0.29 0.00 0.00 -0.97 -4.88 105.19 98.09 2bek n GLY 164 Ca 0.06 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.20 2bek n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bek h LEU 165 N 0.00 0.50 -5.84 0.99 6.46 -1.57 -3.36 115.31 112.49 2bek h LEU 165 Ca 0.00 0.07 -0.37 0.00 -0.12 0.00 0.00 57.88 57.47 2bek h LEU 165 Cb 0.00 -0.01 -0.28 0.00 -0.73 0.00 0.00 40.66 39.64 2bek h LEU 165 CO 0.00 0.25 -0.73 0.21 -0.62 0.00 0.00 178.44 177.56 2bek s ASN 166 N -5.48 0.20 0.62 1.25 2.47 0.48 -4.94 114.94 109.53 2bek s ASN 166 Ca -0.12 -2.23 0.31 0.00 0.42 0.00 0.00 52.86 51.24 2bek s ASN 166 Cb 0.20 0.70 1.70 0.00 -1.45 0.00 0.00 41.25 42.39 2bek s ASN 166 CO 0.77 -0.14 2.04 -0.65 -3.72 0.00 0.00 177.10 175.40 2bek h PRO 167 N 5.70 0.00 -0.50 0.43 0.11 -1.72 -1.03 132.00 134.98 2bek h PRO 167 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2bek h PRO 167 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2bek h PRO 167 CO 0.19 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.87 2bek n ARG 168 N -3.48 2.26 -3.03 1.05 1.85 -1.26 -4.89 116.66 109.16 2bek n ARG 168 Ca 0.02 -1.57 -0.40 0.00 -1.00 0.00 0.00 57.85 54.90 2bek n ARG 168 Cb 0.38 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 30.28 2bek n ARG 168 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2bek s LEU 169 N -1.13 4.38 0.03 2.89 2.96 -0.39 -4.62 118.68 122.80 2bek s LEU 169 Ca 0.29 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.51 2bek s LEU 169 Cb 0.17 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 2bek s LEU 169 CO 0.17 -0.04 -0.05 0.00 -1.32 0.00 0.00 176.35 175.10 2bek s ARG 170 N 0.34 0.44 -0.40 1.98 1.70 -0.47 -4.78 118.95 117.76 2bek s ARG 170 Ca 0.38 -0.75 -0.29 0.00 -0.47 0.00 0.00 55.73 54.60 2bek s ARG 170 Cb -0.19 -0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.16 2bek s ARG 170 CO 0.20 -0.02 1.30 -1.17 -1.08 0.00 0.00 175.30 174.54 2bek s LEU 171 N -1.70 3.68 0.14 -1.89 2.96 -1.26 -0.96 118.68 119.64 2bek s LEU 171 Ca -0.10 0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 2bek s LEU 171 Cb -0.08 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 2bek s LEU 171 CO -0.01 -1.29 1.41 0.25 -1.32 0.00 0.00 176.35 175.39 2bek h LEU 172 N 11.56 0.81 0.00 -0.68 5.85 -0.70 -3.45 115.31 128.70 2bek h LEU 172 Ca -0.26 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.99 2bek h LEU 172 Cb 1.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2bek h LEU 172 CO 1.08 1.25 0.00 0.61 -0.34 0.00 0.00 178.44 181.04 2bek n GLY 173 N 0.46 1.62 3.49 3.75 0.00 -1.02 -5.00 105.19 108.50 2bek n GLY 173 Ca -0.05 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 2bek n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bek s ILE 174 N -2.00 4.24 -0.22 -0.61 1.01 0.51 -1.13 121.20 123.00 2bek s ILE 174 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 2bek s ILE 174 Cb 0.00 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 2bek s ILE 174 CO 0.00 0.41 0.01 -0.22 0.00 0.00 0.00 174.94 175.15 2bek s LEU 175 N 1.00 3.25 -0.15 2.97 2.96 -0.03 -1.16 118.68 127.53 2bek s LEU 175 Ca 0.03 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 2bek s LEU 175 Cb -0.14 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2bek s LEU 175 CO 0.02 0.02 1.00 -0.69 -1.32 0.00 0.00 176.35 175.38 2bek s VAL 176 N 1.28 4.77 0.34 1.68 1.01 -1.26 0.30 120.40 128.51 2bek s VAL 176 Ca 0.04 2.00 0.06 0.00 0.00 0.00 0.00 61.98 64.08 2bek s VAL 176 Cb -0.15 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.87 2bek s VAL 176 CO 0.01 -0.04 -0.01 0.42 0.00 0.00 0.00 175.10 175.48 2bek s THR 177 N 2.35 1.70 -1.45 3.92 -4.23 -0.45 -1.13 115.64 116.34 2bek s THR 177 Ca 0.46 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2bek s THR 177 Cb -0.17 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.93 2bek s THR 177 CO 0.14 -0.10 0.40 0.23 -0.54 0.00 0.00 174.62 174.75 2bek n MET 178 N -0.77 -3.00 -3.26 3.99 2.81 -0.74 -1.35 117.12 114.80 2bek n MET 178 Ca -0.04 0.36 -0.40 0.00 -1.81 0.00 0.00 57.70 55.81 2bek n MET 178 Cb 0.66 -4.47 -0.08 0.00 -0.71 0.00 0.00 33.22 28.62 2bek n MET 178 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2bek s TYR 179 N -3.95 3.28 -0.43 2.03 5.04 -0.59 -4.16 117.35 118.57 2bek s TYR 179 Ca 0.08 0.62 -0.06 0.00 -2.44 0.00 0.00 57.07 55.26 2bek s TYR 179 Cb -0.04 -2.69 0.11 0.00 0.35 0.00 0.00 41.96 39.69 2bek s TYR 179 CO 0.91 -0.25 0.27 0.34 -1.34 0.00 0.00 175.55 175.48 2bek s ASP 180 N 1.50 5.49 0.15 4.32 -1.08 -1.26 -0.81 116.67 124.98 2bek s ASP 180 Ca 0.20 -1.88 0.10 0.00 -0.52 0.00 0.00 52.55 50.45 2bek s ASP 180 Cb -0.16 -1.93 0.54 0.00 -1.46 0.00 0.00 42.92 39.92 2bek s ASP 180 CO 0.09 -0.60 1.29 0.61 0.52 0.00 0.00 175.17 177.08 2bek n GLY 181 N 4.78 -0.65 0.01 2.66 0.00 -1.26 -1.23 105.19 109.49 2bek n GLY 181 Ca -0.06 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2bek n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bek n ARG 182 N -1.84 0.05 -3.99 1.61 1.74 -1.26 -4.81 116.66 108.16 2bek n ARG 182 Ca -0.01 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 2bek n ARG 182 Cb 0.04 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 2bek n ARG 182 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bek s THR 183 N -2.96 5.09 0.38 0.55 -4.23 -0.37 -4.98 115.64 109.12 2bek s THR 183 Ca 0.14 0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.79 2bek s THR 183 Cb 0.19 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.97 2bek s THR 183 CO 0.59 0.56 1.93 0.25 -0.54 0.00 0.00 174.62 177.41 2bek h LEU 184 N 5.64 0.35 -0.08 4.79 5.85 -1.87 -2.87 115.31 127.12 2bek h LEU 184 Ca -0.48 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.19 2bek h LEU 184 Cb 1.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2bek h LEU 184 CO 0.63 0.43 0.03 0.25 -0.34 0.00 0.00 178.44 179.43 2bek h LEU 185 N 0.37 0.04 -0.53 2.25 5.85 -1.92 -0.95 115.31 120.42 2bek h LEU 185 Ca 0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2bek h LEU 185 Cb 0.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2bek h LEU 185 CO 0.01 0.04 0.34 0.00 -0.34 0.00 0.00 178.44 178.48 2bek h ALA 186 N 1.05 0.67 -0.43 1.25 0.00 -1.61 -0.40 119.26 119.79 2bek h ALA 186 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bek h ALA 186 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2bek h ALA 186 CO -0.03 0.08 0.27 1.96 0.00 0.00 0.00 179.25 181.52 2bek h GLN 187 N 0.68 0.52 -0.35 0.00 4.20 -1.30 -1.05 115.11 117.81 2bek h GLN 187 Ca 0.20 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 2bek h GLN 187 Cb -0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2bek h GLN 187 CO -0.06 0.35 -0.23 1.96 -0.67 0.00 0.00 178.83 180.17 2bek h GLN 188 N 0.54 0.70 -0.15 1.46 4.20 -0.88 -1.07 115.11 119.92 2bek h GLN 188 Ca 0.17 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2bek h GLN 188 Cb -0.02 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2bek h GLN 188 CO -0.06 0.87 -0.02 0.28 -0.67 0.00 0.00 178.83 179.23 2bek h VAL 189 N 0.61 1.27 -0.72 -0.54 2.07 -0.79 -0.52 116.25 117.62 2bek h VAL 189 Ca 0.09 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2bek h VAL 189 Cb 0.72 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2bek h VAL 189 CO 0.06 0.27 0.46 -0.08 0.02 0.00 0.00 177.57 178.30 2bek h GLU 190 N -0.01 0.97 -0.82 1.57 4.81 -1.12 -1.41 114.58 118.57 2bek h GLU 190 Ca 0.04 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2bek h GLU 190 Cb 0.42 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2bek h GLU 190 CO 0.01 0.66 0.49 0.00 -0.73 0.00 0.00 179.01 179.44 2bek h ALA 191 N 1.25 1.04 -0.37 2.92 0.00 -1.02 -1.84 119.26 121.24 2bek h ALA 191 Ca 0.26 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2bek h ALA 191 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2bek h ALA 191 CO -0.05 0.50 -0.13 0.37 0.00 0.00 0.00 179.25 179.94 2bek h GLN 192 N 1.12 0.74 -0.53 0.00 4.15 -0.66 -1.38 115.11 118.55 2bek h GLN 192 Ca 0.29 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2bek h GLN 192 Cb -0.04 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 2bek h GLN 192 CO -0.05 0.91 0.31 -0.07 -1.93 0.00 0.00 178.83 178.00 2bek h LEU 193 N 0.54 0.50 -0.61 -2.39 3.38 -1.01 -1.02 115.31 114.70 2bek h LEU 193 Ca 0.09 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2bek h LEU 193 Cb 0.66 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2bek h LEU 193 CO 0.04 0.35 -0.33 0.03 0.09 0.00 0.00 178.44 178.63 2bek h ARG 194 N 0.62 0.73 -0.39 1.13 3.08 -1.27 0.97 114.38 119.24 2bek h ARG 194 Ca 0.22 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 2bek h ARG 194 Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2bek h ARG 194 CO -0.10 0.96 -0.09 0.00 -1.07 0.00 0.00 179.97 179.66 2bek h ALA 195 N 1.01 1.11 0.02 0.04 0.00 -0.90 0.72 119.26 121.26 2bek h ALA 195 Ca 0.07 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 2bek h ALA 195 Cb 0.86 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2bek h ALA 195 CO 0.07 0.56 -1.62 0.45 0.00 0.00 0.00 179.25 178.71 2bek h HIS 196 N 0.62 0.07 -0.01 0.00 3.86 -1.08 -3.40 115.15 115.21 2bek h HIS 196 Ca 0.11 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2bek h HIS 196 Cb 0.53 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2bek h HIS 196 CO 0.02 1.09 0.00 1.19 0.86 0.00 0.00 177.93 181.10 2bek n PHE 197 N -3.15 0.01 0.00 2.45 3.72 0.32 -5.08 117.46 115.73 2bek n PHE 197 Ca -0.16 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2bek n PHE 197 Cb 1.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 2bek n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bek n GLY 198 N 0.05 2.80 0.00 1.37 0.00 0.24 -1.61 105.19 108.05 2bek n GLY 198 Ca 0.01 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2bek n GLY 198 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bek n GLU 199 N 14.00 0.08 0.22 1.61 0.28 -1.26 -2.13 120.64 133.44 2bek n GLU 199 Ca 0.00 0.25 0.07 0.00 -0.16 0.00 0.00 57.16 57.33 2bek n GLU 199 Cb 0.00 -1.50 0.51 0.00 1.43 0.00 0.00 31.44 31.88 2bek n GLU 199 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2bek h LYS 200 N 0.00 0.00 -6.14 3.44 1.57 -1.69 -3.41 116.57 110.34 2bek h LYS 200 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2bek h LYS 200 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2bek h LYS 200 CO 0.00 0.25 0.42 0.08 -0.57 0.00 0.00 179.45 179.62 2bek s VAL 201 N -4.16 4.86 0.72 0.50 1.01 -0.91 -0.36 120.40 122.06 2bek s VAL 201 Ca -0.02 1.82 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 2bek s VAL 201 Cb 0.14 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2bek s VAL 201 CO 0.66 0.07 1.26 -0.36 0.00 0.00 0.00 175.10 176.73 2bek s PHE 202 N 1.77 1.93 0.06 5.22 0.08 -0.31 -4.89 117.98 121.84 2bek s PHE 202 Ca 0.44 1.57 -0.18 0.00 0.12 0.00 0.00 56.93 58.88 2bek s PHE 202 Cb -0.18 -3.61 -0.14 0.00 -0.57 0.00 0.00 43.02 38.52 2bek s PHE 202 CO 0.17 -2.93 1.32 -1.49 -0.10 0.00 0.00 175.22 172.19 2bek h TRP 203 N -0.13 0.64 -2.99 0.36 6.55 -1.93 -3.43 115.95 115.02 2bek h TRP 203 Ca -0.49 -0.23 -0.53 0.00 0.95 0.00 0.00 58.89 58.59 2bek h TRP 203 Cb 1.32 -0.12 0.02 0.00 -0.86 0.00 0.00 29.16 29.52 2bek h TRP 203 CO 0.44 0.95 0.74 0.99 -1.05 0.00 0.00 178.44 180.50 2bek s THR 204 N -4.06 3.28 -0.08 1.49 2.01 -1.26 -5.01 115.64 112.00 2bek s THR 204 Ca -0.13 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.80 2bek s THR 204 Cb 0.06 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2bek s THR 204 CO 0.80 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.96 2bek s VAL 205 N 1.13 2.93 -0.37 3.82 1.01 -1.26 -4.53 120.40 123.12 2bek s VAL 205 Ca 0.65 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 2bek s VAL 205 Cb -0.37 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2bek s VAL 205 CO 0.30 0.56 0.80 -0.63 0.00 0.00 0.00 175.10 176.14 2bek s ILE 206 N -0.21 4.70 0.50 2.22 -1.09 -0.28 -4.91 121.20 122.14 2bek s ILE 206 Ca 0.00 0.88 -0.20 0.00 -2.23 0.00 0.00 60.65 59.10 2bek s ILE 206 Cb -0.13 -4.24 -0.08 0.00 -1.58 0.00 0.00 42.46 36.43 2bek s ILE 206 CO 0.03 -0.48 1.05 -2.16 -1.23 0.00 0.00 174.94 172.15 2bek s PRO 207 N 3.18 3.70 -0.05 2.79 0.04 -1.26 -1.54 135.00 141.85 2bek s PRO 207 Ca 0.32 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2bek s PRO 207 Cb -0.13 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2bek s PRO 207 CO 0.18 -0.51 1.31 0.50 0.04 0.00 0.00 177.00 178.52 2bek s ARG 208 N -3.34 4.30 -0.20 4.56 3.52 0.01 -4.56 118.95 123.23 2bek s ARG 208 Ca 0.67 1.81 -0.09 0.00 -0.13 0.00 0.00 55.73 58.00 2bek s ARG 208 Cb -0.17 -3.62 0.08 0.00 -1.56 0.00 0.00 34.95 29.68 2bek s ARG 208 CO 0.23 -0.56 0.45 1.21 -0.81 0.00 0.00 175.30 175.81 2bek s ASN 209 N 1.81 -0.44 0.57 -2.12 3.84 -1.26 -4.92 114.94 112.42 2bek s ASN 209 Ca 0.60 1.02 0.27 0.00 0.21 0.00 0.00 52.86 54.96 2bek s ASN 209 Cb -0.27 1.18 1.52 0.00 -0.55 0.00 0.00 41.25 43.13 2bek s ASN 209 CO 0.23 -0.22 2.01 1.62 -2.79 0.00 0.00 177.10 177.95 2bek h VAL 210 N 5.85 0.52 -0.16 -5.21 3.04 -2.01 -1.59 116.25 116.70 2bek h VAL 210 Ca -0.25 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.47 2bek h VAL 210 Cb 1.14 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 2bek h VAL 210 CO 0.19 0.00 0.11 0.03 -1.01 0.00 0.00 177.57 176.89 2bek h ARG 211 N 0.00 0.08 -0.04 4.17 2.47 -1.99 -0.10 114.38 118.98 2bek h ARG 211 Ca 0.17 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.81 2bek h ARG 211 Cb 0.83 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.12 2bek h ARG 211 CO -0.00 0.05 -0.31 -0.07 0.56 0.00 0.00 179.97 180.20 2bek h LEU 212 N 0.08 0.07 0.00 3.04 3.38 -1.70 -1.38 115.31 118.80 2bek h LEU 212 Ca 0.07 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2bek h LEU 212 Cb 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2bek h LEU 212 CO -0.01 0.38 -1.15 0.00 0.09 0.00 0.00 178.44 177.75 2bek h ALA 213 N 1.63 0.54 -0.17 1.53 0.00 -1.21 -3.35 119.26 118.22 2bek h ALA 213 Ca 0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 54.91 53.81 2bek h ALA 213 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2bek h ALA 213 CO 0.04 1.21 -0.38 0.93 0.00 0.00 0.00 179.25 181.05 2bek h GLU 214 N 0.00 0.56 -0.97 0.00 5.08 -0.80 -3.36 114.58 115.09 2bek h GLU 214 Ca -0.10 -0.38 0.16 0.00 -1.00 0.00 0.00 59.36 58.05 2bek h GLU 214 Cb 1.76 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.90 2bek h GLU 214 CO 0.10 0.99 -0.36 0.00 -1.00 0.00 0.00 179.01 178.74 2bek h ALA 215 N 0.57 0.25 -0.35 3.43 0.00 -1.40 0.06 119.26 121.82 2bek h ALA 215 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2bek h ALA 215 Cb 0.99 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2bek h ALA 215 CO 0.08 -0.58 0.24 -1.35 0.00 0.00 0.00 179.25 177.65 2bek h PRO 216 N -0.01 0.14 0.00 0.00 0.11 -1.71 -1.23 132.00 129.30 2bek h PRO 216 Ca 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2bek h PRO 216 Cb 0.62 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2bek h PRO 216 CO -0.97 0.09 0.00 0.66 -0.21 0.00 0.00 178.00 177.57 2bek h SER 217 N 0.14 0.00 -0.14 -2.05 4.64 -1.18 -0.31 113.55 114.65 2bek h SER 217 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2bek h SER 217 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2bek h SER 217 CO -0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.43 2bek n PHE 218 N -2.73 0.17 -2.30 4.77 3.72 -0.53 -4.95 117.46 115.60 2bek n PHE 218 Ca -0.00 -0.13 -0.12 0.00 -0.05 0.00 0.00 57.45 57.14 2bek n PHE 218 Cb 0.17 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2bek n PHE 218 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bek n GLY 219 N 0.88 -0.12 3.39 1.37 0.00 -0.13 -4.87 105.19 105.72 2bek n GLY 219 Ca 0.11 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2bek n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bek s LYS 220 N -4.70 1.43 0.80 1.61 1.02 -0.78 -4.02 119.74 115.09 2bek s LYS 220 Ca 0.03 -1.45 -0.11 0.00 0.02 0.00 0.00 55.97 54.45 2bek s LYS 220 Cb -0.01 -1.74 0.08 0.00 -0.52 0.00 0.00 37.83 35.64 2bek s LYS 220 CO 0.03 0.38 1.16 0.95 -0.92 0.00 0.00 175.35 176.95 2bek s THR 221 N -1.59 2.07 0.31 2.17 -4.23 -1.26 -3.64 115.64 109.47 2bek s THR 221 Ca 0.18 -0.02 0.19 0.00 -1.18 0.00 0.00 61.69 60.86 2bek s THR 221 Cb -0.08 -3.01 0.17 0.00 1.34 0.00 0.00 72.50 70.92 2bek s THR 221 CO 0.08 -0.01 1.87 -0.29 -0.54 0.00 0.00 174.62 175.73 2bek h ILE 222 N -1.00 0.92 0.00 2.99 6.09 -1.93 -0.34 117.51 124.24 2bek h ILE 222 Ca -0.46 -1.12 -0.06 0.00 -1.37 0.00 0.00 64.86 61.86 2bek h ILE 222 Cb 1.33 1.66 -0.01 0.00 0.47 0.00 0.00 36.82 40.27 2bek h ILE 222 CO 0.65 0.28 -0.28 0.00 -3.07 0.00 0.00 178.15 175.74 2bek h ALA 223 N 1.71 1.49 0.13 0.18 0.00 -1.92 -1.23 119.26 119.62 2bek h ALA 223 Ca -0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 54.91 54.29 2bek h ALA 223 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bek h ALA 223 CO 0.04 0.34 -1.96 1.96 0.00 0.00 0.00 179.25 179.63 2bek h GLN 224 N 0.00 0.28 0.01 0.00 4.20 -1.74 -3.34 115.11 114.52 2bek h GLN 224 Ca -0.00 -0.49 -0.06 0.00 0.06 0.00 0.00 58.65 58.17 2bek h GLN 224 Cb 0.50 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2bek h GLN 224 CO 0.04 1.23 -0.22 1.25 -0.67 0.00 0.00 178.83 180.45 2bek h HIS 225 N 0.08 0.21 -1.64 2.96 2.76 -1.00 -3.42 115.15 115.09 2bek h HIS 225 Ca -0.41 -0.12 -0.45 0.00 -2.20 0.00 0.00 60.37 57.18 2bek h HIS 225 Cb 2.05 -0.02 -0.31 0.00 1.55 0.00 0.00 27.41 30.67 2bek h HIS 225 CO 0.08 0.94 -0.88 0.00 -1.30 0.00 0.00 177.93 176.77 2bek n ALA 226 N -2.54 1.31 0.22 5.26 0.00 -0.47 -5.02 120.51 119.27 2bek n ALA 226 Ca -0.10 -2.63 0.18 0.00 0.00 0.00 0.00 53.44 50.89 2bek n ALA 226 Cb 0.50 -0.98 0.78 0.00 0.00 0.00 0.00 19.45 19.75 2bek n ALA 226 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bek h PRO 227 N 4.67 0.00 -0.09 0.00 0.13 -1.66 -2.34 132.00 132.71 2bek h PRO 227 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2bek h PRO 227 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2bek h PRO 227 CO 0.34 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.36 2bek n THR 228 N -3.28 1.70 -1.96 1.56 -2.24 -1.26 -4.64 114.28 104.17 2bek n THR 228 Ca 0.02 -1.80 -0.30 0.00 -2.27 0.00 0.00 64.05 59.71 2bek n THR 228 Cb 0.49 -0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.75 2bek n THR 228 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2bek s SER 229 N -2.10 5.41 0.31 3.42 1.04 -0.88 -4.86 113.70 116.04 2bek s SER 229 Ca 0.26 1.05 0.05 0.00 0.48 0.00 0.00 55.95 57.79 2bek s SER 229 Cb 0.22 -1.85 0.69 0.00 0.10 0.00 0.00 66.02 65.17 2bek s SER 229 CO 0.05 -1.34 1.84 -0.65 0.98 0.00 0.00 173.24 174.12 2bek h PRO 230 N -0.61 0.82 -0.11 4.02 0.11 -1.96 -1.26 132.00 133.00 2bek h PRO 230 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2bek h PRO 230 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2bek h PRO 230 CO 0.63 0.54 -0.39 0.78 -0.21 0.00 0.00 178.00 179.36 2bek h GLY 231 N 0.84 0.27 0.71 -0.55 0.00 -1.92 -1.50 103.07 100.92 2bek h GLY 231 Ca 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 2bek h GLY 231 CO -0.26 0.22 -0.04 0.00 0.00 0.00 0.00 176.54 176.46 2bek h ALA 232 N 1.39 -0.12 -0.85 3.60 0.00 -1.48 -1.03 119.26 120.76 2bek h ALA 232 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bek h ALA 232 Cb 0.78 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2bek h ALA 232 CO 0.06 -0.42 0.54 0.45 0.00 0.00 0.00 179.25 179.88 2bek h HIS 233 N -0.42 1.09 -0.14 0.00 3.86 -1.34 -1.42 115.15 116.79 2bek h HIS 233 Ca -0.01 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2bek h HIS 233 Cb 0.35 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2bek h HIS 233 CO 0.02 0.70 0.02 0.00 0.86 0.00 0.00 177.93 179.54 2bek h ALA 234 N 1.44 0.19 0.00 2.45 0.00 -1.12 -2.42 119.26 119.79 2bek h ALA 234 Ca 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2bek h ALA 234 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bek h ALA 234 CO -0.06 -0.15 -0.31 1.88 0.00 0.00 0.00 179.25 180.60 2bek h TYR 235 N 0.02 0.00 -0.39 0.00 0.05 -1.02 -1.45 116.97 114.18 2bek h TYR 235 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 2bek h TYR 235 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2bek h TYR 235 CO 0.02 0.31 -0.01 -0.09 -1.05 0.00 0.00 178.16 177.34 2bek h ARG 236 N 0.00 0.70 -0.21 4.88 2.43 -1.11 -1.84 114.38 119.23 2bek h ARG 236 Ca -0.00 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 58.84 2bek h ARG 236 Cb 0.75 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2bek h ARG 236 CO 0.04 0.79 -0.33 0.00 -1.51 0.00 0.00 179.97 178.97 2bek h ARG 237 N 0.52 0.43 -0.58 0.20 3.08 -1.14 -2.92 114.38 113.97 2bek h ARG 237 Ca 0.11 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2bek h ARG 237 Cb 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2bek h ARG 237 CO 0.02 0.71 0.19 1.25 -1.07 0.00 0.00 179.97 181.06 2bek h LEU 238 N 0.37 0.84 -0.99 3.04 5.85 -1.01 -0.67 115.31 122.74 2bek h LEU 238 Ca 0.05 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2bek h LEU 238 Cb 0.76 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 2bek h LEU 238 CO 0.06 0.82 0.64 0.00 -0.34 0.00 0.00 178.44 179.62 2bek h ALA 239 N 1.05 1.34 -0.38 1.25 0.00 -1.18 0.49 119.26 121.84 2bek h ALA 239 Ca 0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2bek h ALA 239 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bek h ALA 239 CO -0.01 0.48 -0.27 0.93 0.00 0.00 0.00 179.25 180.38 2bek h GLU 240 N 1.20 0.78 -0.52 0.00 5.08 -1.28 -1.11 114.58 118.73 2bek h GLU 240 Ca 0.41 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2bek h GLU 240 Cb 0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2bek h GLU 240 CO -0.15 0.96 -0.10 0.93 -1.00 0.00 0.00 179.01 179.65 2bek h GLU 241 N 0.67 0.98 -0.32 2.33 5.08 0.34 -1.74 114.58 121.92 2bek h GLU 241 Ca 0.08 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2bek h GLU 241 Cb 0.79 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2bek h GLU 241 CO 0.07 1.04 0.11 0.28 -1.00 0.00 0.00 179.01 179.50 2bek h VAL 242 N 0.85 1.20 -0.87 3.13 2.07 0.10 -1.01 116.25 121.72 2bek h VAL 242 Ca 0.14 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2bek h VAL 242 Cb 0.66 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2bek h VAL 242 CO 0.05 0.22 0.58 0.24 0.02 0.00 0.00 177.57 178.67 2bek h MET 243 N 0.36 1.14 -0.37 1.57 2.86 -1.10 0.21 114.93 119.60 2bek h MET 243 Ca 0.10 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2bek h MET 243 Cb 0.23 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2bek h MET 243 CO -0.00 0.76 0.07 0.00 1.06 0.00 0.00 176.91 178.80 2bek h ALA 244 N 1.46 0.49 -0.02 6.32 0.00 -0.98 -2.10 119.26 124.43 2bek h ALA 244 Ca 0.32 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2bek h ALA 244 Cb -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2bek h ALA 244 CO -0.07 0.18 -0.52 0.00 0.00 0.00 0.00 179.25 178.85 2bek h ARG 245 N 0.45 0.06 -0.42 0.00 3.08 -0.65 -3.02 114.38 113.89 2bek h ARG 245 Ca 0.11 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2bek h ARG 245 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2bek h ARG 245 CO 0.00 0.56 -0.25 0.28 -1.07 0.00 0.00 179.97 179.50 2bek h VAL 246 N 0.05 1.27 -4.38 2.04 2.07 -0.44 -3.44 116.25 113.42 2bek h VAL 246 Ca -0.00 -1.40 -0.49 0.00 0.82 0.00 0.00 66.70 65.63 2bek h VAL 246 Cb 0.93 1.21 0.07 0.00 -1.52 0.00 0.00 31.29 31.98 2bek h VAL 246 CO 0.07 0.47 0.39 -1.10 0.02 0.00 0.00 177.57 177.43 2bek s GLN 247 N -4.59 3.01 0.00 1.57 -0.21 -0.80 -4.26 119.66 114.38 2bek s GLN 247 Ca -0.10 0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.75 2bek s GLN 247 Cb 0.12 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 32.08 2bek s GLN 247 CO 0.86 -0.91 0.00 -1.91 -2.12 0.00 0.00 175.29 171.21