#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 4.76 -0.02 3.15 1.01 -1.26 -4.85 120.40 123.20 2bek s VAL 6 Ca 0.00 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2bek s VAL 6 Cb 0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2bek s VAL 6 CO 0.00 -0.28 -0.02 0.54 0.00 0.00 0.00 175.10 175.34 2bek n ARG 7 N 6.28 0.04 -3.49 2.72 1.74 -1.26 -4.98 116.66 117.70 2bek n ARG 7 Ca 0.04 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.75 2bek n ARG 7 Cb 0.48 -0.82 -0.09 0.00 -1.02 0.00 0.00 32.46 31.01 2bek n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bek s ARG 8 N -2.03 4.06 -0.13 5.56 0.52 -1.26 -0.75 118.95 124.92 2bek s ARG 8 Ca -0.02 -0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 2bek s ARG 8 Cb 0.01 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.89 2bek s ARG 8 CO 0.03 -0.11 -0.21 0.42 0.02 0.00 0.00 175.30 175.45 2bek s ILE 9 N 1.56 1.95 -0.08 1.52 1.01 0.79 -1.09 121.20 126.87 2bek s ILE 9 Ca 0.13 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2bek s ILE 9 Cb -0.15 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2bek s ILE 9 CO 0.08 0.53 0.25 0.00 0.00 0.00 0.00 174.94 175.80 2bek s ALA 10 N 0.86 3.79 -0.48 9.38 0.00 -0.39 -0.72 121.76 134.20 2bek s ALA 10 Ca -0.07 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 2bek s ALA 10 Cb -0.15 -2.16 0.10 0.00 0.00 0.00 0.00 23.12 20.91 2bek s ALA 10 CO -0.02 0.52 0.38 -0.51 0.00 0.00 0.00 175.76 176.12 2bek s LEU 11 N -0.90 5.69 0.02 0.00 2.01 0.23 -0.89 118.68 124.84 2bek s LEU 11 Ca 0.18 -1.67 0.02 0.00 0.01 0.00 0.00 54.13 52.67 2bek s LEU 11 Cb -0.14 -2.09 -0.01 0.00 0.01 0.00 0.00 46.19 43.96 2bek s LEU 11 CO 0.07 -0.69 -0.07 0.00 1.01 0.00 0.00 176.35 176.67 2bek s ALA 12 N 1.49 0.55 -0.30 4.21 0.00 -1.12 -2.47 121.76 124.13 2bek s ALA 12 Ca 0.04 -0.53 -0.20 0.00 0.00 0.00 0.00 51.96 51.28 2bek s ALA 12 Cb -0.26 -0.04 0.20 0.00 0.00 0.00 0.00 23.12 23.02 2bek s ALA 12 CO 0.02 0.05 1.31 1.21 0.00 0.00 0.00 175.76 178.36 2bek s ASN 13 N -0.89 -0.03 0.04 0.00 3.84 -1.26 -4.31 114.94 112.33 2bek s ASN 13 Ca -0.04 0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.22 2bek s ASN 13 Cb -0.06 1.03 0.65 0.00 -0.55 0.00 0.00 41.25 42.31 2bek s ASN 13 CO 0.00 -0.01 1.48 0.00 -2.79 0.00 0.00 177.10 175.79 2bek n GLN 14 N 4.44 0.03 -2.40 0.43 10.64 -1.26 -4.44 117.38 124.81 2bek n GLN 14 Ca -0.07 0.28 -0.42 0.00 -1.83 0.00 0.00 57.00 54.97 2bek n GLN 14 Cb 0.56 -1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 28.36 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 4.44 0.41 2.61 2.47 -1.26 -4.10 119.74 121.26 2bek s LYS 15 Ca 0.06 1.81 -0.23 0.00 -1.56 0.00 0.00 55.97 56.05 2bek s LYS 15 Cb 0.09 -3.32 -0.09 0.00 -1.46 0.00 0.00 37.83 33.05 2bek s LYS 15 CO 0.27 -0.22 1.03 0.20 0.16 0.00 0.00 175.35 176.79 2bek s GLY 16 N 0.84 2.67 -1.24 5.54 0.00 -1.26 -4.24 107.32 109.64 2bek s GLY 16 Ca 0.58 0.64 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 2bek s GLY 16 CO 0.31 1.04 1.01 0.61 0.00 0.00 0.00 173.10 176.07 2bek n GLY 17 N 0.17 -0.39 0.66 0.20 0.00 -1.26 -4.94 105.19 99.63 2bek n GLY 17 Ca 0.06 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.29 0.75 -0.02 1.61 0.24 -1.26 -4.96 118.33 110.41 2bek n VAL 18 Ca -0.24 -0.88 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 2bek n VAL 18 Cb 0.65 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 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 0.64 0.99 0.38 7.63 0.00 -1.26 -4.23 105.19 109.34 2bek n GLY 19 Ca 0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 1.38 -0.82 -0.35 1.61 1.57 -1.92 -0.50 116.57 117.53 2bek h LYS 20 Ca 0.00 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2bek h LYS 20 Cb 0.00 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2bek h LYS 20 CO 0.00 -0.55 0.13 1.15 -0.57 0.00 0.00 179.45 179.61 2bek h THR 21 N -0.85 1.20 -0.91 -0.16 2.02 -1.92 0.12 112.91 112.41 2bek h THR 21 Ca -0.06 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.53 2bek h THR 21 Cb 0.69 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2bek h THR 21 CO 0.06 0.22 0.59 0.74 0.37 0.00 0.00 175.52 177.50 2bek h THR 22 N 0.42 1.16 -0.26 3.16 2.02 -1.97 -0.86 112.91 116.58 2bek h THR 22 Ca 0.12 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 2bek h THR 22 Cb 0.21 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2bek h THR 22 CO -0.01 0.21 -0.31 0.74 0.37 0.00 0.00 175.52 176.52 2bek h THR 23 N 1.16 1.31 -0.15 3.16 2.02 -0.79 -1.69 112.91 117.92 2bek h THR 23 Ca 0.36 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 66.05 2bek h THR 23 Cb -0.02 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2bek h THR 23 CO -0.11 0.47 0.10 0.00 0.37 0.00 0.00 175.52 176.35 2bek h ALA 24 N 0.68 0.19 0.29 6.16 0.00 -0.28 0.11 119.26 126.41 2bek h ALA 24 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bek h ALA 24 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bek h ALA 24 CO 0.07 -0.33 -0.14 0.82 0.00 0.00 0.00 179.25 179.68 2bek h ILE 25 N 0.20 0.75 -0.00 0.00 2.04 -1.20 -2.09 117.51 117.21 2bek h ILE 25 Ca 0.06 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 2bek h ILE 25 Cb -0.02 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2bek h ILE 25 CO -0.01 0.07 -0.45 0.78 0.00 0.00 0.00 178.15 178.54 2bek h ASN 26 N -0.57 0.01 -0.41 1.72 2.35 -1.28 -1.22 115.58 116.18 2bek h ASN 26 Ca -0.04 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 2bek h ASN 26 Cb 0.41 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2bek h ASN 26 CO 0.07 0.46 -0.12 0.25 -1.65 0.00 0.00 177.43 176.43 2bek h LEU 27 N 0.01 0.82 -0.74 1.61 6.46 -0.78 -2.11 115.31 120.58 2bek h LEU 27 Ca -0.00 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 2bek h LEU 27 Cb 0.80 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2bek h LEU 27 CO 0.06 1.00 0.43 0.00 -0.62 0.00 0.00 178.44 179.31 2bek h ALA 28 N 0.84 0.95 -0.67 1.25 0.00 -1.01 0.11 119.26 120.73 2bek h ALA 28 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bek h ALA 28 Cb 0.66 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2bek h ALA 28 CO 0.05 0.44 0.43 0.00 0.00 0.00 0.00 179.25 180.16 2bek h ALA 29 N 1.22 0.87 0.00 0.00 0.00 -0.99 -0.86 119.26 119.50 2bek h ALA 29 Ca 0.26 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2bek h ALA 29 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2bek h ALA 29 CO -0.05 0.21 -0.82 1.88 0.00 0.00 0.00 179.25 180.48 2bek h TYR 30 N 0.85 0.00 -0.35 0.00 0.05 -1.12 -2.84 116.97 113.55 2bek h TYR 30 Ca 0.26 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.88 2bek h TYR 30 Cb -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2bek h TYR 30 CO -0.04 0.53 -0.42 -0.07 -1.05 0.00 0.00 178.16 177.11 2bek h LEU 31 N 0.00 0.95 -0.90 3.88 3.38 -0.79 -2.40 115.31 119.43 2bek h LEU 31 Ca -0.05 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2bek h LEU 31 Cb 1.45 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2bek h LEU 31 CO 0.06 1.24 0.39 0.00 0.09 0.00 0.00 178.44 180.22 2bek h ALA 32 N 0.80 1.14 0.00 1.53 0.00 -1.19 -1.14 119.26 120.39 2bek h ALA 32 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bek h ALA 32 Cb 1.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2bek h ALA 32 CO 0.10 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.54 2bek n ARG 33 N -4.31 0.04 -0.12 0.00 1.74 -1.08 -1.21 116.66 111.72 2bek n ARG 33 Ca 0.08 0.26 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 2bek n ARG 33 Cb 0.14 -1.57 0.31 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.64 2.24 0.00 0.55 4.77 -0.46 -4.91 117.00 117.55 2bek n LEU 34 Ca 0.04 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 2bek n LEU 34 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bek n LEU 34 CO 0.16 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2bek n GLY 35 N 1.24 0.69 3.89 -0.72 0.00 -0.35 -5.07 105.19 104.87 2bek n GLY 35 Ca 0.17 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.87 3.62 -0.42 1.61 -0.14 -1.02 -5.03 119.74 117.49 2bek s LYS 36 Ca 0.00 -0.06 -0.21 0.00 -1.36 0.00 0.00 55.97 54.33 2bek s LYS 36 Cb 0.00 -2.98 0.02 0.00 -1.68 0.00 0.00 37.83 33.19 2bek s LYS 36 CO 0.00 0.56 0.69 1.03 -0.76 0.00 0.00 175.35 176.87 2bek s ARG 37 N -2.18 3.40 -0.02 1.68 0.52 -1.26 -4.21 118.95 116.88 2bek s ARG 37 Ca 0.34 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.40 2bek s ARG 37 Cb -0.13 -3.92 -0.03 0.00 0.52 0.00 0.00 34.95 31.40 2bek s ARG 37 CO 0.21 -0.99 -0.17 0.08 0.02 0.00 0.00 175.30 174.45 2bek s VAL 38 N 2.94 2.88 -0.11 3.52 1.01 -1.26 -0.22 120.40 129.16 2bek s VAL 38 Ca 0.25 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2bek s VAL 38 Cb -0.14 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 2bek s VAL 38 CO 0.19 0.52 -0.22 -0.22 0.00 0.00 0.00 175.10 175.37 2bek s LEU 39 N -0.91 2.17 -0.18 3.92 2.96 -0.62 -1.19 118.68 124.83 2bek s LEU 39 Ca 0.12 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2bek s LEU 39 Cb -0.11 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2bek s LEU 39 CO 0.02 0.15 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.89 2bek s LEU 40 N 0.39 2.74 -0.19 -0.68 2.96 0.54 -0.28 118.68 124.16 2bek s LEU 40 Ca -0.17 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 2bek s LEU 40 Cb -0.17 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2bek s LEU 40 CO 0.08 0.05 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.42 2bek s VAL 41 N 1.07 3.55 -0.52 1.68 1.01 0.51 -0.65 120.40 127.06 2bek s VAL 41 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2bek s VAL 41 Cb -0.15 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.70 2bek s VAL 41 CO -0.02 0.45 0.65 -0.62 0.00 0.00 0.00 175.10 175.56 2bek s ASP 42 N 1.06 6.23 0.00 3.32 -1.08 -0.89 -1.23 116.67 124.09 2bek s ASP 42 Ca 0.01 -0.93 0.25 0.00 -0.52 0.00 0.00 52.55 51.36 2bek s ASP 42 Cb -0.15 -2.30 0.36 0.00 -1.46 0.00 0.00 42.92 39.37 2bek s ASP 42 CO 0.00 -0.94 1.36 0.18 0.52 0.00 0.00 175.17 176.29 2bek n LEU 43 N 6.27 2.74 -4.71 -1.34 4.77 -0.42 -3.97 117.00 120.34 2bek n LEU 43 Ca -0.06 -0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 54.59 2bek n LEU 43 Cb 0.45 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2bek n LEU 43 CO 0.55 0.46 0.50 0.00 -1.33 0.00 0.00 177.39 177.57 2bek s ALA 44 N -1.98 3.30 0.49 -1.18 0.00 -1.22 -4.59 121.76 116.58 2bek s ALA 44 Ca 0.30 0.24 0.18 0.00 0.00 0.00 0.00 51.96 52.69 2bek s ALA 44 Cb 0.20 -3.09 1.22 0.00 0.00 0.00 0.00 23.12 21.45 2bek s ALA 44 CO 0.31 -0.19 2.02 -1.35 0.00 0.00 0.00 175.76 176.55 2bek h PRO 45 N 6.83 0.17 -0.37 0.00 0.11 -1.92 0.22 132.00 137.03 2bek h PRO 45 Ca -0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 2bek h PRO 45 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2bek h PRO 45 CO 0.76 0.11 0.20 1.96 -0.21 0.00 0.00 178.00 180.82 2bek h GLN 46 N 0.17 0.50 -3.50 1.05 7.50 -1.96 -3.46 115.11 115.40 2bek h GLN 46 Ca 0.21 -0.04 -0.31 0.00 0.50 0.00 0.00 58.65 59.00 2bek h GLN 46 Cb 0.59 -0.11 0.05 0.00 0.05 0.00 0.00 27.48 28.07 2bek h GLN 46 CO -0.03 0.37 -0.46 0.41 -1.50 0.00 0.00 178.83 177.62 2bek n GLY 47 N -1.36 -0.23 0.30 3.46 0.00 0.76 -4.95 105.19 103.17 2bek n GLY 47 Ca 0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.06 1.06 -1.00 1.61 2.35 -1.91 -1.88 115.58 114.74 2bek h ASN 48 Ca -0.40 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.04 2bek h ASN 48 Cb 1.28 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 39.31 2bek h ASN 48 CO 0.43 1.14 0.66 0.00 -1.65 0.00 0.00 177.43 178.01 2bek h ALA 49 N 0.96 1.31 0.11 -0.83 0.00 -1.92 0.34 119.26 119.23 2bek h ALA 49 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2bek h ALA 49 Cb 0.63 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bek h ALA 49 CO 0.04 0.59 -0.05 1.15 0.00 0.00 0.00 179.25 180.98 2bek h THR 50 N 1.30 1.02 -0.83 0.00 2.02 -1.85 -2.70 112.91 111.86 2bek h THR 50 Ca 0.39 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2bek h THR 50 Cb -0.05 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2bek h THR 50 CO -0.11 0.13 0.39 0.28 0.37 0.00 0.00 175.52 176.58 2bek h SER 51 N -0.39 1.09 0.36 4.18 0.02 -1.00 -1.97 113.55 115.84 2bek h SER 51 Ca -0.02 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2bek h SER 51 Cb 0.32 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2bek h SER 51 CO 0.02 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2bek n GLY 52 N -1.00 -0.93 0.82 -3.77 0.00 0.12 -1.29 105.19 99.14 2bek n GLY 52 Ca 0.08 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.80 3.48 -1.27 0.99 4.77 -0.87 -3.23 117.00 119.08 2bek n LEU 53 Ca 0.02 -2.47 -0.13 0.00 -0.03 0.00 0.00 56.01 53.40 2bek n LEU 53 Cb 0.12 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2bek n LEU 53 CO 0.11 0.71 -0.15 0.61 -1.33 0.00 0.00 177.39 177.35 2bek n GLY 54 N 0.13 0.41 3.61 -0.72 0.00 -0.41 -4.83 105.19 103.38 2bek n GLY 54 Ca 0.17 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.57 4.04 -0.31 1.61 1.01 -0.80 -5.03 120.40 118.36 2bek s VAL 55 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2bek s VAL 55 Cb 0.00 -2.70 0.10 0.00 0.00 0.00 0.00 36.38 33.78 2bek s VAL 55 CO 0.00 0.58 0.11 -0.60 0.00 0.00 0.00 175.10 175.18 2bek s ARG 56 N -0.58 0.58 0.25 2.72 3.52 -1.26 -4.08 118.95 120.10 2bek s ARG 56 Ca 0.09 -0.94 0.11 0.00 -0.13 0.00 0.00 55.73 54.85 2bek s ARG 56 Cb -0.12 -1.78 -0.05 0.00 -1.56 0.00 0.00 34.95 31.45 2bek s ARG 56 CO 0.02 -1.00 -0.12 0.00 -0.81 0.00 0.00 175.30 173.40 2bek s ALA 57 N 1.73 2.91 -0.40 6.12 0.00 -1.26 -5.02 121.76 125.84 2bek s ALA 57 Ca 0.10 -1.71 0.19 0.00 0.00 0.00 0.00 51.96 50.54 2bek s ALA 57 Cb -0.17 -0.53 -0.26 0.00 0.00 0.00 0.00 23.12 22.16 2bek s ALA 57 CO -0.28 0.32 0.58 -0.85 0.00 0.00 0.00 175.76 175.53 2bek n GLU 58 N -0.52 0.70 -4.81 0.00 -0.00 -1.26 -4.81 120.64 109.94 2bek n GLU 58 Ca -0.07 -0.10 -0.25 0.00 -0.00 0.00 0.00 57.16 56.74 2bek n GLU 58 Cb 0.58 -1.42 -0.16 0.00 -0.00 0.00 0.00 31.44 30.45 2bek n GLU 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2bek s ARG 59 N -3.09 1.52 0.00 3.44 0.52 -1.26 -4.96 118.95 115.13 2bek s ARG 59 Ca -0.01 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 2bek s ARG 59 Cb 0.13 -1.41 0.00 0.00 0.52 0.00 0.00 34.95 34.19 2bek s ARG 59 CO 0.78 0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.82 2bek n GLY 60 N 2.88 3.51 0.38 -3.53 0.00 -1.26 -4.73 105.19 102.44 2bek n GLY 60 Ca -0.16 -0.30 0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 0.76 -0.74 1.61 3.04 -1.44 -0.20 116.25 119.29 2bek h VAL 61 Ca 0.00 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 2bek h VAL 61 Cb 0.00 0.47 -0.04 0.00 -2.01 0.00 0.00 31.29 29.71 2bek h VAL 61 CO 0.00 0.05 0.44 0.22 -1.01 0.00 0.00 177.57 177.27 2bek h TYR 62 N 0.27 0.98 0.00 3.17 5.03 -1.95 -0.83 116.97 123.63 2bek h TYR 62 Ca 0.34 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.56 2bek h TYR 62 Cb 0.94 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 2bek h TYR 62 CO -0.00 0.66 -0.40 0.45 -1.32 0.00 0.00 178.16 177.55 2bek h HIS 63 N 1.01 0.00 -0.39 -3.82 -0.00 -1.45 -2.25 115.15 108.24 2bek h HIS 63 Ca 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.57 2bek h HIS 63 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2bek h HIS 63 CO -0.01 0.40 0.01 1.25 -0.00 0.00 0.00 177.93 179.58 2bek h LEU 64 N 0.00 0.68 -2.04 2.43 5.85 -0.52 -1.43 115.31 120.28 2bek h LEU 64 Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2bek h LEU 64 Cb 0.86 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2bek h LEU 64 CO 0.05 0.81 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.81 2bek h LEU 65 N 0.52 0.00 -0.01 2.25 3.38 -0.74 -0.42 115.31 120.29 2bek h LEU 65 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bek h LEU 65 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2bek h LEU 65 CO 0.02 0.09 -0.09 0.00 0.09 0.00 0.00 178.44 178.55 2bek n GLN 66 N -3.58 0.08 0.00 1.13 6.02 -0.82 -4.91 117.38 115.30 2bek n GLN 66 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2bek n GLN 66 Cb 0.21 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2bek n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bek n GLY 67 N 1.47 0.78 3.76 1.08 0.00 -0.17 -5.09 105.19 107.03 2bek n GLY 67 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.46 4.45 0.19 1.61 2.02 -0.60 -4.95 118.70 120.95 2bek s GLU 68 Ca 0.00 1.81 -0.33 0.00 0.02 0.00 0.00 54.97 56.47 2bek s GLU 68 Cb 0.00 -3.01 -0.14 0.00 0.10 0.00 0.00 34.13 31.08 2bek s GLU 68 CO 0.00 0.04 1.38 -2.30 0.02 0.00 0.00 175.26 174.40 2bek n PRO 69 N 0.80 1.74 -0.22 0.39 -0.02 -1.26 -4.43 135.00 132.00 2bek n PRO 69 Ca 0.01 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 2bek n PRO 69 Cb 0.45 -2.26 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2bek n PRO 69 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2bek h LEU 70 N 4.42 0.68 -2.76 2.45 5.85 -1.92 -2.78 115.31 121.25 2bek h LEU 70 Ca -0.45 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2bek h LEU 70 Cb 1.29 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2bek h LEU 70 CO 0.77 0.49 -0.00 1.05 -0.34 0.00 0.00 178.44 180.41 2bek h GLU 71 N 0.81 0.00 -0.23 1.25 9.09 -1.94 -1.23 114.58 122.33 2bek h GLU 71 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 2bek h GLU 71 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 2bek h GLU 71 CO -0.06 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.41 2bek n GLY 72 N -1.14 0.89 0.00 1.06 0.00 -1.05 -4.24 105.19 100.71 2bek n GLY 72 Ca -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 0.86 0.00 -4.80 0.99 4.77 -0.48 -5.05 117.00 113.29 2bek n LEU 73 Ca 0.17 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 2bek n LEU 73 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2bek n LEU 73 CO 0.14 0.00 0.69 0.68 -1.33 0.00 0.00 177.39 177.58 2bek s VAL 74 N -2.46 4.02 -0.07 4.08 -7.23 -1.13 -4.54 120.40 113.07 2bek s VAL 74 Ca -0.02 1.29 0.04 0.00 -1.81 0.00 0.00 61.98 61.48 2bek s VAL 74 Cb 0.04 -3.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 2bek s VAL 74 CO 0.28 -0.24 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.62 2bek s HIS 75 N -2.02 2.56 -0.13 2.82 3.76 0.21 -4.89 115.29 117.59 2bek s HIS 75 Ca 0.64 -0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 2bek s HIS 75 Cb -0.14 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 2bek s HIS 75 CO 0.18 -0.17 0.98 -1.25 -0.85 0.00 0.00 174.74 173.63 2bek s PRO 76 N -0.13 4.38 -0.08 8.40 0.04 -1.26 -0.68 135.00 145.67 2bek s PRO 76 Ca -0.04 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 2bek s PRO 76 Cb -0.14 -3.56 0.04 0.00 0.04 0.00 0.00 34.50 30.88 2bek s PRO 76 CO 0.04 -0.35 0.18 0.14 0.04 0.00 0.00 177.00 177.04 2bek s VAL 77 N 2.17 -0.05 -1.76 -0.36 -7.23 0.36 -4.93 120.40 108.60 2bek s VAL 77 Ca 0.46 0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.62 2bek s VAL 77 Cb -0.18 -0.29 0.17 0.00 0.56 0.00 0.00 36.38 36.65 2bek s VAL 77 CO 0.15 0.07 0.57 -0.67 -0.31 0.00 0.00 175.10 174.91 2bek n ASP 78 N 4.22 -1.83 0.00 4.85 4.64 -1.26 -0.62 116.55 126.54 2bek n ASP 78 Ca -0.26 -1.17 0.00 0.00 -1.38 0.00 0.00 54.79 51.98 2bek n ASP 78 Cb 0.52 -2.03 0.00 0.00 -1.04 0.00 0.00 41.12 38.57 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 -1.41 1.46 1.90 0.27 0.00 -1.26 -4.85 105.19 101.31 2bek n GLY 79 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.25 -4.54 1.61 -1.74 0.20 -4.78 117.46 106.47 2bek n PHE 80 Ca 0.00 -1.43 -0.31 0.00 -0.56 0.00 0.00 57.45 55.15 2bek n PHE 80 Cb 0.00 -0.06 -0.11 0.00 1.52 0.00 0.00 39.48 40.83 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 -2.27 2.74 -0.10 2.97 3.76 -0.33 -0.49 115.29 121.57 2bek s HIS 81 Ca 0.08 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 2bek s HIS 81 Cb 0.00 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.15 2bek s HIS 81 CO 0.06 0.32 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.87 2bek s LEU 82 N -1.45 2.04 -0.50 0.89 2.96 0.14 -0.34 118.68 122.42 2bek s LEU 82 Ca 0.16 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 2bek s LEU 82 Cb -0.11 -1.35 0.12 0.00 0.50 0.00 0.00 46.19 45.35 2bek s LEU 82 CO 0.07 0.14 0.40 -0.22 -1.32 0.00 0.00 176.35 175.42 2bek s LEU 83 N 0.42 5.88 0.66 -0.68 2.96 0.18 -0.62 118.68 127.48 2bek s LEU 83 Ca -0.17 -1.88 -0.16 0.00 -0.22 0.00 0.00 54.13 51.70 2bek s LEU 83 Cb -0.18 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.43 2bek s LEU 83 CO 0.07 -0.75 1.17 -2.16 -1.32 0.00 0.00 176.35 173.36 2bek s PRO 84 N 1.44 2.62 0.44 0.98 0.04 -1.26 -2.09 135.00 137.16 2bek s PRO 84 Ca 0.05 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 2bek s PRO 84 Cb -0.28 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 2bek s PRO 84 CO 0.01 -1.45 0.79 0.00 0.04 0.00 0.00 177.00 176.39 2bek s ALA 85 N -1.97 3.34 0.12 8.56 0.00 -1.25 -1.30 121.76 129.24 2bek s ALA 85 Ca 0.73 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 2bek s ALA 85 Cb -0.27 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2bek s ALA 85 CO 0.40 -0.12 0.08 0.95 0.00 0.00 0.00 175.76 177.06 2bek s THR 86 N -2.50 0.13 -0.28 0.00 -4.23 -1.26 -4.71 115.64 102.78 2bek s THR 86 Ca 0.51 -1.77 0.14 0.00 -1.18 0.00 0.00 61.69 59.40 2bek s THR 86 Cb -0.10 -1.86 0.14 0.00 1.34 0.00 0.00 72.50 72.03 2bek s THR 86 CO 0.35 -0.57 1.40 -0.81 -0.54 0.00 0.00 174.62 174.45 2bek n PRO 87 N -0.06 0.09 0.27 3.99 -0.04 -1.26 -1.41 135.00 136.58 2bek n PRO 87 Ca -0.08 0.57 0.17 0.00 -0.04 0.00 0.00 63.50 64.12 2bek n PRO 87 Cb 0.63 -1.91 0.71 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.51 3.54 5.19 -1.95 -2.94 116.42 120.77 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 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 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 -0.63 1.55 3.38 -1.61 -2.06 115.31 115.95 2bek h LEU 89 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2bek h LEU 89 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2bek h LEU 89 CO 0.00 0.00 0.16 0.58 0.09 0.00 0.00 178.44 179.27 2bek h VAL 90 N 0.00 1.25 0.00 1.22 2.07 -1.75 -2.40 116.25 116.65 2bek h VAL 90 Ca 0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2bek h VAL 90 Cb 0.25 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2bek h VAL 90 CO 0.00 0.34 -0.28 1.23 0.02 0.00 0.00 177.57 178.89 2bek h GLY 91 N 0.92 0.00 1.58 2.17 0.00 -1.61 -3.27 103.07 102.86 2bek h GLY 91 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 2bek h GLY 91 CO 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 176.08 2bek h ALA 92 N 2.49 0.87 -0.94 3.60 0.00 -0.91 -1.62 119.26 122.74 2bek h ALA 92 Ca 0.00 -0.46 0.18 0.00 0.00 0.00 0.00 54.91 54.63 2bek h ALA 92 Cb 0.76 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 2bek h ALA 92 CO 0.00 0.65 0.60 1.15 0.00 0.00 0.00 179.25 181.66 2bek h THR 93 N 0.37 0.74 0.11 0.00 2.02 -1.54 0.34 112.91 114.94 2bek h THR 93 Ca 0.02 -0.22 -0.31 0.00 0.77 0.00 0.00 66.41 66.68 2bek h THR 93 Cb 0.95 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2bek h THR 93 CO 0.08 0.11 -1.60 0.58 0.37 0.00 0.00 175.52 175.07 2bek h VAL 94 N 0.63 1.07 -0.59 3.16 2.07 -1.70 -3.33 116.25 117.56 2bek h VAL 94 Ca 0.50 -2.74 -0.11 0.00 0.82 0.00 0.00 66.70 65.18 2bek h VAL 94 Cb 0.94 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 2bek h VAL 94 CO -0.26 0.80 -0.05 -0.08 0.02 0.00 0.00 177.57 178.00 2bek h GLU 95 N 0.06 1.07 0.00 1.57 4.81 -0.18 -3.05 114.58 118.85 2bek h GLU 95 Ca -0.27 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2bek h GLU 95 Cb 2.02 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.31 2bek h GLU 95 CO 0.15 1.07 0.00 1.28 -0.73 0.00 0.00 179.01 180.77 2bek n LEU 96 N -4.16 0.00 -4.65 1.64 4.77 0.11 -4.77 117.00 109.93 2bek n LEU 96 Ca 0.02 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 2bek n LEU 96 Cb 0.38 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2bek n LEU 96 CO 0.45 -0.03 1.62 0.00 -1.33 0.00 0.00 177.39 178.10 2bek s ALA 97 N -2.72 3.49 0.00 -1.18 0.00 -1.15 -0.31 121.76 119.89 2bek s ALA 97 Ca 0.21 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2bek s ALA 97 Cb 0.18 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2bek s ALA 97 CO 0.44 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2bek n GLY 98 N 4.66 0.45 2.52 0.00 0.00 -1.26 -4.96 105.19 106.61 2bek n GLY 98 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.69 3.60 0.29 4.61 0.00 0.58 -4.93 120.51 122.97 2bek n ALA 99 Ca 0.00 -4.25 0.15 0.00 0.00 0.00 0.00 53.44 49.34 2bek n ALA 99 Cb 0.00 -0.83 0.71 0.00 0.00 0.00 0.00 19.45 19.33 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 3.48 0.00 -0.60 0.00 0.13 -1.91 -2.74 132.00 130.37 2bek h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2bek h PRO 100 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2bek h PRO 100 CO 0.70 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.72 2bek n THR 101 N -2.58 1.40 -0.11 1.56 -2.24 -1.26 -3.97 114.28 107.08 2bek n THR 101 Ca -0.00 -1.13 -0.07 0.00 -2.27 0.00 0.00 64.05 60.58 2bek n THR 101 Cb 0.15 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 3.60 0.44 -0.27 6.98 0.00 -1.85 -2.00 119.26 126.15 2bek h ALA 102 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2bek h ALA 102 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2bek h ALA 102 CO 0.10 -0.21 0.03 1.25 0.00 0.00 0.00 179.25 180.41 2bek h LEU 103 N 0.34 0.45 -0.56 0.00 5.85 -1.85 -2.23 115.31 117.32 2bek h LEU 103 Ca 0.16 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2bek h LEU 103 Cb 0.09 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2bek h LEU 103 CO -0.13 0.62 0.20 -0.09 -0.34 0.00 0.00 178.44 178.70 2bek h ARG 104 N 0.26 0.36 0.00 1.25 2.43 -1.77 0.11 114.38 117.03 2bek h ARG 104 Ca 0.08 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2bek h ARG 104 Cb 0.37 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2bek h ARG 104 CO 0.01 0.24 -0.20 0.93 -1.51 0.00 0.00 179.97 179.44 2bek h GLU 105 N 0.37 0.00 -0.00 0.20 5.08 -1.28 -3.14 114.58 115.81 2bek h GLU 105 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2bek h GLU 105 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2bek h GLU 105 CO -0.29 0.20 -0.89 0.00 -1.00 0.00 0.00 179.01 177.03 2bek n ALA 106 N -2.21 4.50 -2.43 3.43 0.00 -0.62 -4.78 120.51 118.40 2bek n ALA 106 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 2bek n ALA 106 Cb 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2bek n ALA 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bek n LEU 107 N -1.43 5.51 -4.04 0.00 4.77 0.30 -4.87 117.00 117.25 2bek n LEU 107 Ca 0.05 -4.09 -0.43 0.00 -0.03 0.00 0.00 56.01 51.51 2bek n LEU 107 Cb 0.34 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 2bek n LEU 107 CO 0.41 0.52 2.19 0.54 -1.33 0.00 0.00 177.39 179.73 2bek n ARG 108 N 7.20 3.18 -0.83 3.23 1.74 -1.26 -4.66 116.66 125.25 2bek n ARG 108 Ca 0.47 -3.13 -0.02 0.00 -0.77 0.00 0.00 57.85 54.40 2bek n ARG 108 Cb 0.43 -3.22 0.27 0.00 -1.02 0.00 0.00 32.46 28.93 2bek n ARG 108 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bek n ASP 109 N 6.01 4.16 0.29 0.55 5.68 -1.26 -4.67 116.55 127.30 2bek n ASP 109 Ca 0.46 -3.27 0.17 0.00 -0.50 0.00 0.00 54.79 51.65 2bek n ASP 109 Cb 0.40 -0.67 0.90 0.00 -1.14 0.00 0.00 41.12 40.61 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 2.13 0.00 -0.03 0.11 9.09 -2.03 -0.71 114.58 123.13 2bek h GLU 110 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2bek h GLU 110 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.09 2bek h GLU 110 CO 0.54 0.00 0.00 0.41 0.05 0.00 0.00 179.01 180.01 2bek n GLY 111 N -1.18 -0.74 3.49 1.06 0.00 -1.26 -4.83 105.19 101.73 2bek n GLY 111 Ca -0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.96 2.58 0.00 1.61 2.02 -0.28 -4.97 117.35 116.36 2bek s TYR 112 Ca 0.30 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.58 2bek s TYR 112 Cb 0.15 -1.42 -0.29 0.00 -0.40 0.00 0.00 41.96 40.00 2bek s TYR 112 CO 0.24 0.33 1.02 -0.44 -1.57 0.00 0.00 175.55 175.13 2bek h ASP 113 N 4.13 0.65 -4.46 2.29 3.32 -0.91 -3.47 116.42 117.97 2bek h ASP 113 Ca -0.49 -0.86 -0.25 0.00 0.02 0.00 0.00 57.03 55.46 2bek h ASP 113 Cb 1.16 -0.21 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 2bek h ASP 113 CO 0.48 1.44 -0.73 -0.76 -1.72 0.00 0.00 179.24 177.95 2bek s LEU 114 N -7.98 2.15 -0.10 1.55 1.43 -1.00 -4.73 118.68 110.00 2bek s LEU 114 Ca -0.12 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2bek s LEU 114 Cb 0.03 -0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.19 2bek s LEU 114 CO 0.87 -0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 176.54 2bek s VAL 115 N -0.89 0.99 -0.15 -1.59 1.01 0.08 -1.59 120.40 118.26 2bek s VAL 115 Ca -0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2bek s VAL 115 Cb -0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2bek s VAL 115 CO -0.00 0.35 0.01 -0.76 0.00 0.00 0.00 175.10 174.70 2bek s LEU 116 N 1.44 3.54 -0.26 3.92 1.43 0.62 -0.15 118.68 129.23 2bek s LEU 116 Ca -0.00 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2bek s LEU 116 Cb -0.13 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2bek s LEU 116 CO -0.05 0.23 -0.05 -0.76 0.23 0.00 0.00 176.35 175.95 2bek s LEU 117 N 0.02 3.33 -0.37 1.79 1.43 0.10 -0.36 118.68 124.62 2bek s LEU 117 Ca 0.03 -0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 51.97 2bek s LEU 117 Cb -0.13 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2bek s LEU 117 CO 0.02 -0.15 0.65 -0.62 0.23 0.00 0.00 176.35 176.48 2bek s ASP 118 N 1.31 6.42 0.12 2.29 2.15 -0.36 -0.60 116.67 127.99 2bek s ASP 118 Ca -0.01 0.07 0.02 0.00 0.43 0.00 0.00 52.55 53.05 2bek s ASP 118 Cb -0.17 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2bek s ASP 118 CO -0.04 -0.65 0.26 0.00 -0.17 0.00 0.00 175.17 174.58 2bek s ALA 119 N 2.78 3.98 0.79 3.66 0.00 -1.03 -1.30 121.76 130.63 2bek s ALA 119 Ca 0.25 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 2bek s ALA 119 Cb -0.14 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.25 2bek s ALA 119 CO 0.16 0.63 1.12 -1.25 0.00 0.00 0.00 175.76 176.41 2bek s PRO 120 N -3.02 2.16 -1.30 0.00 0.04 -1.26 -4.82 135.00 126.81 2bek s PRO 120 Ca 0.35 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 2bek s PRO 120 Cb -0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2bek s PRO 120 CO 0.28 -1.52 2.08 -0.35 0.04 0.00 0.00 177.00 177.53 2bek n PRO 121 N -3.33 2.61 -3.94 0.56 -0.04 -1.26 -4.72 135.00 124.87 2bek n PRO 121 Ca 0.07 -2.57 -0.01 0.00 -0.04 0.00 0.00 63.50 60.95 2bek n PRO 121 Cb 0.58 -3.28 0.02 0.00 -0.04 0.00 0.00 33.50 30.78 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 3.85 0.01 -0.38 3.54 1.04 -1.26 -4.77 113.70 115.73 2bek s SER 122 Ca 0.51 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.50 2bek s SER 122 Cb 0.12 0.36 0.44 0.00 0.10 0.00 0.00 66.02 67.04 2bek s SER 122 CO -0.01 -0.72 1.23 -0.11 0.98 0.00 0.00 173.24 174.60 2bek n LEU 123 N -0.80 5.07 -4.88 2.42 -0.00 -1.26 -4.60 117.00 112.95 2bek n LEU 123 Ca 0.00 -4.90 -0.29 0.00 -0.00 0.00 0.00 56.01 50.82 2bek n LEU 123 Cb 0.59 -0.44 0.14 0.00 -0.00 0.00 0.00 43.42 43.72 2bek n LEU 123 CO 0.19 2.11 0.81 -0.94 -0.00 0.00 0.00 177.39 179.56 2bek s SER 124 N -3.41 3.59 0.52 1.96 1.04 -1.26 -4.73 113.70 111.41 2bek s SER 124 Ca 0.51 0.58 0.23 0.00 0.48 0.00 0.00 55.95 57.75 2bek s SER 124 Cb 0.41 -0.89 1.35 0.00 0.10 0.00 0.00 66.02 67.00 2bek s SER 124 CO -0.06 -2.47 2.02 -0.65 0.98 0.00 0.00 173.24 173.06 2bek h PRO 125 N -1.45 0.03 -0.35 4.02 0.11 -1.91 0.60 132.00 133.05 2bek h PRO 125 Ca -0.46 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2bek h PRO 125 Cb 1.29 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2bek h PRO 125 CO 0.52 0.02 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.12 2bek h LEU 126 N 0.03 0.73 -0.45 2.35 3.38 -1.90 0.11 115.31 119.57 2bek h LEU 126 Ca 0.22 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 2bek h LEU 126 Cb 0.83 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2bek h LEU 126 CO -0.01 0.96 -0.40 0.74 0.09 0.00 0.00 178.44 179.83 2bek h THR 127 N 0.50 1.28 -0.78 0.22 2.02 -1.54 -2.29 112.91 112.31 2bek h THR 127 Ca 0.08 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 2bek h THR 127 Cb 0.68 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 2bek h THR 127 CO 0.05 0.52 0.38 0.25 0.37 0.00 0.00 175.52 177.09 2bek h LEU 128 N 0.70 1.02 -1.25 2.58 5.85 -0.79 -1.08 115.31 122.35 2bek h LEU 128 Ca 0.06 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2bek h LEU 128 Cb 0.98 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2bek h LEU 128 CO 0.09 0.87 0.02 0.78 -0.34 0.00 0.00 178.44 179.86 2bek h ASN 129 N 1.11 0.50 -0.26 1.25 2.35 -0.64 0.07 115.58 119.96 2bek h ASN 129 Ca 0.27 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 2bek h ASN 129 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2bek h ASN 129 CO -0.03 0.55 -0.03 0.00 -1.65 0.00 0.00 177.43 176.27 2bek h ALA 130 N 1.52 0.35 -0.20 -0.83 0.00 -0.75 -2.38 119.26 116.97 2bek h ALA 130 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2bek h ALA 130 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bek h ALA 130 CO 0.01 0.12 -0.31 -0.07 0.00 0.00 0.00 179.25 178.99 2bek h LEU 131 N 0.24 0.42 -0.37 0.00 3.38 -0.86 -1.63 115.31 116.49 2bek h LEU 131 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2bek h LEU 131 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2bek h LEU 131 CO 0.02 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.26 2bek h ALA 132 N 1.31 1.00 0.00 1.53 0.00 -0.91 -3.26 119.26 118.93 2bek h ALA 132 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2bek h ALA 132 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2bek h ALA 132 CO 0.06 0.00 -1.91 0.00 0.00 0.00 0.00 179.25 177.40 2bek n ALA 133 N -1.87 2.42 -2.00 0.00 0.00 -0.90 -4.84 120.51 113.31 2bek n ALA 133 Ca 0.04 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 2bek n ALA 133 Cb 0.37 -0.50 0.02 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.06 3.17 -0.10 0.00 0.00 -0.64 -4.87 121.76 116.25 2bek s ALA 134 Ca -0.07 -0.33 0.11 0.00 0.00 0.00 0.00 51.96 51.67 2bek s ALA 134 Cb 0.10 -2.88 -0.16 0.00 0.00 0.00 0.00 23.12 20.18 2bek s ALA 134 CO 0.74 -0.71 0.09 0.39 0.00 0.00 0.00 175.76 176.27 2bek n GLU 135 N -2.65 1.69 -4.18 0.00 4.71 -0.25 -4.33 120.64 115.63 2bek n GLU 135 Ca 0.05 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.16 57.02 2bek n GLU 135 Cb 0.55 -1.32 -0.11 0.00 -1.01 0.00 0.00 31.44 29.56 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 -4.33 0.87 -0.06 0.62 0.00 -0.79 -0.73 107.32 102.91 2bek s GLY 136 Ca -0.06 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.48 2bek s GLY 136 CO 0.51 -1.28 -0.12 0.14 0.00 0.00 0.00 173.10 172.35 2bek s VAL 137 N -2.46 1.09 -0.26 1.40 1.01 -0.06 -1.26 120.40 119.86 2bek s VAL 137 Ca 0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2bek s VAL 137 Cb -0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2bek s VAL 137 CO 0.00 0.34 0.05 -0.69 0.00 0.00 0.00 175.10 174.81 2bek s VAL 138 N 0.59 4.06 -0.43 2.92 1.01 -0.07 -0.24 120.40 128.24 2bek s VAL 138 Ca -0.13 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2bek s VAL 138 Cb -0.15 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.35 2bek s VAL 138 CO 0.03 0.28 0.30 -0.69 0.00 0.00 0.00 175.10 175.03 2bek s VAL 139 N 1.56 4.67 0.12 2.92 1.01 -0.41 -2.78 120.40 127.49 2bek s VAL 139 Ca 0.05 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 2bek s VAL 139 Cb -0.15 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2bek s VAL 139 CO 0.02 -0.50 1.04 -2.84 0.00 0.00 0.00 175.10 172.82 2bek s PRO 140 N 1.53 4.62 -0.22 2.72 0.02 -1.26 -0.41 135.00 141.99 2bek s PRO 140 Ca 0.03 1.57 -0.01 0.00 0.02 0.00 0.00 61.00 62.62 2bek s PRO 140 Cb -0.23 -3.35 0.06 0.00 0.02 0.00 0.00 34.50 31.01 2bek s PRO 140 CO 0.05 0.09 0.00 0.08 -0.33 0.00 0.00 177.00 176.88 2bek s VAL 141 N 0.14 1.01 0.35 3.83 1.01 0.17 -4.89 120.40 122.02 2bek s VAL 141 Ca 0.50 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2bek s VAL 141 Cb -0.26 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.58 2bek s VAL 141 CO 0.31 -0.20 1.53 1.67 0.00 0.00 0.00 175.10 178.41 2bek n GLN 142 N 4.86 2.71 -0.87 2.72 7.27 -1.26 -1.01 117.38 131.80 2bek n GLN 142 Ca -0.10 0.96 -0.23 0.00 0.07 0.00 0.00 57.00 57.70 2bek n GLN 142 Cb 0.45 -2.71 -0.04 0.00 2.41 0.00 0.00 30.24 30.35 2bek n GLN 142 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bek n ALA 143 N 1.01 5.44 -2.42 1.69 0.00 -0.44 -4.42 120.51 121.37 2bek n ALA 143 Ca 0.04 -2.20 -0.15 0.00 0.00 0.00 0.00 53.44 51.12 2bek n ALA 143 Cb 0.38 -2.92 -0.08 0.00 0.00 0.00 0.00 19.45 16.83 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 2.67 1.56 0.05 0.00 2.02 -1.26 -3.87 118.70 119.88 2bek s GLU 144 Ca 0.49 -1.78 -0.29 0.00 0.02 0.00 0.00 54.97 53.41 2bek s GLU 144 Cb 0.15 0.33 -0.17 0.00 0.10 0.00 0.00 34.13 34.54 2bek s GLU 144 CO -0.03 -0.58 1.52 -0.92 0.02 0.00 0.00 175.26 175.27 2bek h TYR 145 N 2.32 -0.55 -0.78 1.61 3.20 -1.93 -2.89 116.97 117.94 2bek h TYR 145 Ca -0.30 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.64 2bek h TYR 145 Cb 1.24 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.63 2bek h TYR 145 CO 1.08 -0.29 0.44 1.88 -1.64 0.00 0.00 178.16 179.64 2bek h TYR 146 N -0.70 0.81 -0.60 -3.82 0.05 -1.99 -0.17 116.97 110.55 2bek h TYR 146 Ca -0.06 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2bek h TYR 146 Cb 0.51 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2bek h TYR 146 CO -0.02 0.36 0.16 0.00 -1.05 0.00 0.00 178.16 177.60 2bek h ALA 147 N 1.42 0.79 -0.36 3.88 0.00 -1.81 -2.81 119.26 120.37 2bek h ALA 147 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2bek h ALA 147 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bek h ALA 147 CO -0.22 0.49 0.23 1.25 0.00 0.00 0.00 179.25 181.00 2bek h LEU 148 N 0.87 0.42 -2.12 0.00 5.85 -1.08 -2.69 115.31 116.56 2bek h LEU 148 Ca 0.19 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2bek h LEU 148 Cb 0.34 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2bek h LEU 148 CO 0.00 0.32 0.13 -0.08 -0.34 0.00 0.00 178.44 178.47 2bek h GLU 149 N 0.48 0.00 0.00 1.25 4.22 -0.85 -2.62 114.58 117.06 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 -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2bek h GLU 149 CO -0.03 0.00 -0.49 0.41 -2.18 0.00 0.00 179.01 176.72 2bek n GLY 150 N -1.50 -1.30 0.17 1.92 0.00 -1.02 -4.39 105.19 99.07 2bek n GLY 150 Ca 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 2bek n GLY 150 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bek h VAL 151 N 0.00 0.87 -0.15 1.61 2.07 -1.43 -1.06 116.25 118.15 2bek h VAL 151 Ca 0.00 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2bek h VAL 151 Cb 0.55 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2bek h VAL 151 CO 0.00 0.06 -0.10 0.00 0.02 0.00 0.00 177.57 177.54 2bek h ALA 152 N 1.27 0.02 -0.34 1.67 0.00 -1.79 -0.01 119.26 120.08 2bek h ALA 152 Ca 0.19 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2bek h ALA 152 Cb 0.18 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2bek h ALA 152 CO -0.20 -0.55 -0.00 0.78 0.00 0.00 0.00 179.25 179.28 2bek h GLY 153 N -0.11 0.56 0.80 0.00 0.00 -1.77 -2.07 103.07 100.49 2bek h GLY 153 Ca 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2bek h GLY 153 CO -0.22 0.31 -0.02 -2.00 0.00 0.00 0.00 176.54 174.61 2bek h LEU 154 N 0.50 0.35 -1.36 3.11 6.46 -0.50 -1.94 115.31 121.94 2bek h LEU 154 Ca 0.11 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 2bek h LEU 154 Cb 0.33 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2bek h LEU 154 CO 0.01 0.61 0.04 -0.07 -0.62 0.00 0.00 178.44 178.41 2bek h LEU 155 N 0.09 0.43 -0.57 2.25 3.38 -0.82 -1.20 115.31 118.87 2bek h LEU 155 Ca 0.05 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2bek h LEU 155 Cb 0.44 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2bek h LEU 155 CO 0.01 0.47 0.05 0.00 0.09 0.00 0.00 178.44 179.06 2bek h ALA 156 N 1.59 0.77 -0.64 1.53 0.00 -1.19 -2.02 119.26 119.30 2bek h ALA 156 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2bek h ALA 156 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2bek h ALA 156 CO 0.00 0.55 0.10 1.15 0.00 0.00 0.00 179.25 181.06 2bek h THR 157 N 0.87 1.26 -0.72 0.00 2.02 -0.67 -1.67 112.91 114.00 2bek h THR 157 Ca 0.17 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 2bek h THR 157 Cb 0.48 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2bek h THR 157 CO 0.02 0.38 0.37 -0.07 0.37 0.00 0.00 175.52 176.59 2bek h LEU 158 N 0.98 0.90 -0.80 2.58 3.38 -0.97 -1.91 115.31 119.48 2bek h LEU 158 Ca 0.20 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2bek h LEU 158 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2bek h LEU 158 CO 0.01 0.74 0.03 -0.08 0.09 0.00 0.00 178.44 179.23 2bek h GLU 159 N 1.01 0.94 -0.52 1.13 4.57 -0.82 -1.88 114.58 119.01 2bek h GLU 159 Ca 0.25 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2bek h GLU 159 Cb 0.06 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2bek h GLU 159 CO -0.04 0.91 0.30 0.93 -1.18 0.00 0.00 179.01 179.94 2bek h GLU 160 N 0.87 0.72 -0.82 1.92 5.08 -0.61 0.14 114.58 121.88 2bek h GLU 160 Ca 0.17 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2bek h GLU 160 Cb 0.47 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2bek h GLU 160 CO 0.02 0.53 0.45 0.28 -1.00 0.00 0.00 179.01 179.30 2bek h VAL 161 N 0.70 1.24 0.00 3.13 2.07 -1.09 -2.20 116.25 120.10 2bek h VAL 161 Ca 0.19 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 2bek h VAL 161 Cb 0.01 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2bek h VAL 161 CO -0.03 0.27 -0.46 -0.09 0.02 0.00 0.00 177.57 177.27 2bek h ARG 162 N 1.14 0.00 0.00 1.57 2.43 -0.89 0.46 114.38 119.10 2bek h ARG 162 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2bek h ARG 162 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2bek h ARG 162 CO -0.05 0.46 0.00 0.00 -1.51 0.00 0.00 179.97 178.88 2bek h ALA 163 N 1.54 1.00 0.00 2.80 0.00 -0.33 -3.21 119.26 121.06 2bek h ALA 163 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bek h ALA 163 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bek h ALA 163 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2bek n GLY 164 N -0.35 -1.41 0.27 0.00 0.00 -1.08 -4.97 105.19 97.65 2bek n GLY 164 Ca 0.01 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.19 -6.32 0.99 6.46 -1.63 -3.36 115.31 111.25 2bek h LEU 165 Ca 0.00 0.17 -0.39 0.00 -0.12 0.00 0.00 57.88 57.54 2bek h LEU 165 Cb 0.00 0.28 -0.31 0.00 -0.73 0.00 0.00 40.66 39.89 2bek h LEU 165 CO 0.00 -0.12 -0.71 0.21 -0.62 0.00 0.00 178.44 177.20 2bek s ASN 166 N -5.21 1.21 0.67 1.25 2.47 0.16 -4.96 114.94 110.52 2bek s ASN 166 Ca -0.13 -1.74 0.42 0.00 0.42 0.00 0.00 52.86 51.83 2bek s ASN 166 Cb 0.22 0.48 2.29 0.00 -1.45 0.00 0.00 41.25 42.79 2bek s ASN 166 CO 0.75 -0.25 2.30 -0.65 -3.72 0.00 0.00 177.10 175.53 2bek h PRO 167 N 6.87 0.00 -0.02 0.43 0.11 -1.72 -2.14 132.00 135.54 2bek h PRO 167 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2bek h PRO 167 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bek h PRO 167 CO 0.20 0.00 -0.02 2.89 -0.21 0.00 0.00 178.00 180.86 2bek n ARG 168 N -3.07 1.74 -2.37 1.05 1.85 -1.26 -4.90 116.66 109.70 2bek n ARG 168 Ca -0.03 -1.12 -0.42 0.00 -1.00 0.00 0.00 57.85 55.28 2bek n ARG 168 Cb 0.12 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.03 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 -2.03 4.36 0.02 2.89 2.96 -0.80 -4.62 118.68 121.45 2bek s LEU 169 Ca 0.35 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2bek s LEU 169 Cb 0.21 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 2bek s LEU 169 CO 0.34 -0.53 -0.03 0.00 -1.32 0.00 0.00 176.35 174.81 2bek s ARG 170 N 1.29 0.32 -0.21 1.98 1.70 0.09 -4.78 118.95 119.35 2bek s ARG 170 Ca 0.60 -0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 54.96 2bek s ARG 170 Cb -0.30 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.12 2bek s ARG 170 CO 0.28 -0.04 1.34 -1.17 -1.08 0.00 0.00 175.30 174.64 2bek s LEU 171 N -1.41 4.06 0.07 -1.89 2.96 -1.26 -0.88 118.68 120.33 2bek s LEU 171 Ca -0.15 1.55 -0.08 0.00 -0.22 0.00 0.00 54.13 55.24 2bek s LEU 171 Cb -0.10 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.78 2bek s LEU 171 CO -0.01 -0.93 1.13 0.25 -1.32 0.00 0.00 176.35 175.47 2bek h LEU 172 N 10.37 0.57 0.00 -0.68 5.85 -0.94 -3.45 115.31 127.04 2bek h LEU 172 Ca -0.28 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 57.86 2bek h LEU 172 Cb 1.11 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2bek h LEU 172 CO 0.99 1.44 0.00 0.61 -0.34 0.00 0.00 178.44 181.14 2bek n GLY 173 N 1.47 2.10 3.65 3.75 0.00 -1.01 -4.99 105.19 110.16 2bek n GLY 173 Ca -0.10 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 5.23 -0.25 -0.61 1.01 0.25 -1.29 121.20 123.54 2bek s ILE 174 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 2bek s ILE 174 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2bek s ILE 174 CO 0.00 0.36 0.04 -0.22 0.00 0.00 0.00 174.94 175.12 2bek s LEU 175 N 1.00 3.41 -0.08 2.97 2.96 0.45 -0.88 118.68 128.51 2bek s LEU 175 Ca 0.07 -0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 2bek s LEU 175 Cb -0.13 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2bek s LEU 175 CO 0.04 -0.08 1.20 -0.69 -1.32 0.00 0.00 176.35 175.50 2bek s VAL 176 N 1.54 4.29 0.34 1.68 1.01 -1.26 0.45 120.40 128.45 2bek s VAL 176 Ca 0.05 1.60 0.09 0.00 0.00 0.00 0.00 61.98 63.72 2bek s VAL 176 Cb -0.15 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 2bek s VAL 176 CO 0.01 -0.03 -0.08 0.42 0.00 0.00 0.00 175.10 175.42 2bek s THR 177 N 2.49 2.12 -1.44 3.92 -4.23 -0.18 -1.51 115.64 116.81 2bek s THR 177 Ca 0.55 -2.17 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 2bek s THR 177 Cb -0.24 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2bek s THR 177 CO 0.20 -0.19 0.28 0.23 -0.54 0.00 0.00 174.62 174.59 2bek n MET 178 N -0.78 -1.80 -3.33 3.99 2.81 -0.90 -1.33 117.12 115.79 2bek n MET 178 Ca -0.05 0.23 -0.39 0.00 -1.81 0.00 0.00 57.70 55.68 2bek n MET 178 Cb 0.64 -3.87 -0.08 0.00 -0.71 0.00 0.00 33.22 29.20 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 -4.08 3.31 -0.43 2.03 5.04 -0.75 -4.21 117.35 118.26 2bek s TYR 179 Ca 0.08 0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 55.28 2bek s TYR 179 Cb -0.04 -2.61 0.12 0.00 0.35 0.00 0.00 41.96 39.78 2bek s TYR 179 CO 0.95 -0.16 0.21 0.34 -1.34 0.00 0.00 175.55 175.54 2bek s ASP 180 N 1.37 5.12 0.02 4.32 -1.08 -1.26 -1.03 116.67 124.13 2bek s ASP 180 Ca 0.19 -2.21 0.02 0.00 -0.52 0.00 0.00 52.55 50.03 2bek s ASP 180 Cb -0.15 -1.79 0.08 0.00 -1.46 0.00 0.00 42.92 39.61 2bek s ASP 180 CO 0.09 -0.48 1.02 0.61 0.52 0.00 0.00 175.17 176.93 2bek n GLY 181 N 4.31 -0.50 0.12 2.66 0.00 -1.26 -1.35 105.19 109.18 2bek n GLY 181 Ca 0.01 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2bek n GLY 181 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bek h ARG 182 N 0.00 0.00 -5.60 1.61 3.08 -2.02 -3.45 114.38 108.01 2bek h ARG 182 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 2bek h ARG 182 Cb 0.06 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 2bek h ARG 182 CO 0.00 0.00 -0.48 0.95 -1.07 0.00 0.00 179.97 179.37 2bek s THR 183 N -3.13 5.50 0.35 2.04 -4.23 -0.45 -4.98 115.64 110.72 2bek s THR 183 Ca 0.10 0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.87 2bek s THR 183 Cb 0.12 -3.41 0.15 0.00 1.34 0.00 0.00 72.50 70.70 2bek s THR 183 CO 0.58 0.60 1.87 0.25 -0.54 0.00 0.00 174.62 177.38 2bek h LEU 184 N 5.16 0.39 0.02 4.79 5.85 -1.87 -2.96 115.31 126.70 2bek h LEU 184 Ca -0.53 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.11 2bek h LEU 184 Cb 1.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2bek h LEU 184 CO 0.60 0.52 -0.09 0.25 -0.34 0.00 0.00 178.44 179.38 2bek h LEU 185 N 0.39 -0.25 -0.81 2.25 5.85 -1.92 -0.65 115.31 120.17 2bek h LEU 185 Ca 0.08 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2bek h LEU 185 Cb 0.39 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2bek h LEU 185 CO 0.02 -0.13 0.52 0.00 -0.34 0.00 0.00 178.44 178.51 2bek h ALA 186 N 0.80 1.06 -0.41 1.25 0.00 -1.64 -0.85 119.26 119.47 2bek h ALA 186 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bek h ALA 186 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bek h ALA 186 CO -0.07 0.36 0.26 1.96 0.00 0.00 0.00 179.25 181.75 2bek h GLN 187 N 1.03 0.55 -0.44 0.00 4.20 -1.32 -1.92 115.11 117.20 2bek h GLN 187 Ca 0.32 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.89 2bek h GLN 187 Cb -0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2bek h GLN 187 CO -0.10 0.39 -0.10 1.96 -0.67 0.00 0.00 178.83 180.31 2bek h GLN 188 N 0.55 0.79 -0.10 1.46 4.20 -0.66 -1.68 115.11 119.67 2bek h GLN 188 Ca 0.15 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2bek h GLN 188 Cb -0.03 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2bek h GLN 188 CO -0.03 0.87 -0.00 0.28 -0.67 0.00 0.00 178.83 179.28 2bek h VAL 189 N 0.72 1.25 -0.75 -0.54 2.07 -0.96 -0.96 116.25 117.08 2bek h VAL 189 Ca 0.12 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2bek h VAL 189 Cb 0.58 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2bek h VAL 189 CO 0.04 0.23 0.33 -0.08 0.02 0.00 0.00 177.57 178.10 2bek h GLU 190 N -0.10 1.11 -0.39 1.57 4.81 -1.31 -0.98 114.58 119.28 2bek h GLU 190 Ca 0.03 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2bek h GLU 190 Cb 0.35 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2bek h GLU 190 CO 0.01 0.89 0.21 0.00 -0.73 0.00 0.00 179.01 179.39 2bek h ALA 191 N 1.16 0.49 -0.63 2.92 0.00 -1.19 -1.21 119.26 120.79 2bek h ALA 191 Ca 0.25 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2bek h ALA 191 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2bek h ALA 191 CO -0.03 -0.14 0.04 0.37 0.00 0.00 0.00 179.25 179.49 2bek h GLN 192 N 0.43 1.09 -0.66 0.00 4.15 -0.89 -0.84 115.11 118.38 2bek h GLN 192 Ca 0.16 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2bek h GLN 192 Cb 0.05 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 2bek h GLN 192 CO -0.10 1.04 0.38 -0.07 -1.93 0.00 0.00 178.83 178.15 2bek h LEU 193 N 1.00 0.81 -0.61 -2.39 3.38 -0.76 0.02 115.31 116.77 2bek h LEU 193 Ca 0.18 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2bek h LEU 193 Cb 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2bek h LEU 193 CO 0.02 0.66 -0.66 0.03 0.09 0.00 0.00 178.44 178.59 2bek h ARG 194 N 0.90 0.00 -0.24 1.13 3.08 -1.08 0.57 114.38 118.74 2bek h ARG 194 Ca 0.24 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.13 2bek h ARG 194 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2bek h ARG 194 CO -0.04 0.66 -0.48 0.00 -1.07 0.00 0.00 179.97 179.04 2bek h ALA 195 N 1.34 0.38 0.05 0.04 0.00 -0.76 0.17 119.26 120.49 2bek h ALA 195 Ca -0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 2bek h ALA 195 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2bek h ALA 195 CO 0.09 0.54 -1.31 0.45 0.00 0.00 0.00 179.25 179.02 2bek h HIS 196 N 0.48 0.18 -0.00 0.00 3.86 -0.98 -3.40 115.15 115.30 2bek h HIS 196 Ca 0.01 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2bek h HIS 196 Cb 1.08 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2bek h HIS 196 CO 0.08 1.14 -0.01 1.19 0.86 0.00 0.00 177.93 181.19 2bek n PHE 197 N -3.34 0.00 0.00 2.45 3.72 0.19 -5.08 117.46 115.40 2bek n PHE 197 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2bek n PHE 197 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 0.66 2.13 0.42 1.37 0.00 0.60 -1.50 105.19 108.88 2bek n GLY 198 Ca 0.00 0.28 0.20 0.00 0.00 0.00 0.00 46.02 46.50 2bek n GLY 198 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bek h GLU 199 N 0.00 0.00 0.00 1.61 4.81 -1.95 0.11 114.58 119.16 2bek h GLU 199 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2bek h GLU 199 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2bek h GLU 199 CO 0.00 0.00 -0.20 0.87 -0.73 0.00 0.00 179.01 178.95 2bek h LYS 200 N 0.00 0.00 -5.94 1.92 1.57 -1.67 -3.42 116.57 109.04 2bek h LYS 200 Ca 0.24 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.44 2bek h LYS 200 Cb 1.70 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.94 2bek h LYS 200 CO -0.00 0.20 0.44 0.08 -0.57 0.00 0.00 179.45 179.60 2bek s VAL 201 N -4.01 4.85 0.55 0.50 1.01 0.37 -0.59 120.40 123.09 2bek s VAL 201 Ca -0.02 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 2bek s VAL 201 Cb 0.12 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2bek s VAL 201 CO 0.63 -0.01 1.06 0.49 0.00 0.00 0.00 175.10 177.26 2bek n PHE 202 N 5.45 1.21 -0.12 5.22 3.72 -0.06 -4.89 117.46 128.00 2bek n PHE 202 Ca 0.05 0.46 -0.12 0.00 -0.05 0.00 0.00 57.45 57.79 2bek n PHE 202 Cb 0.48 -2.20 -0.03 0.00 -0.94 0.00 0.00 39.48 36.79 2bek n PHE 202 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 2bek h TRP 203 N 0.90 0.82 -2.73 1.38 -0.00 -1.93 -3.43 115.95 110.95 2bek h TRP 203 Ca -0.48 -0.20 -0.54 0.00 -0.00 0.00 0.00 58.89 57.67 2bek h TRP 203 Cb 1.35 -0.19 0.01 0.00 -0.00 0.00 0.00 29.16 30.33 2bek h TRP 203 CO 0.40 0.91 0.96 0.99 -0.00 0.00 0.00 178.44 181.70 2bek s THR 204 N -4.65 3.23 -0.10 1.49 2.01 -1.26 -5.01 115.64 111.35 2bek s THR 204 Ca -0.13 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 62.52 2bek s THR 204 Cb 0.09 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 2bek s THR 204 CO 0.81 -0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.96 2bek s VAL 205 N 2.67 3.52 -0.33 3.82 1.01 -1.26 -4.47 120.40 125.36 2bek s VAL 205 Ca 0.71 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2bek s VAL 205 Cb -0.37 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2bek s VAL 205 CO 0.31 0.55 0.60 -0.63 0.00 0.00 0.00 175.10 175.93 2bek s ILE 206 N -0.21 4.94 0.53 2.22 -1.09 -0.57 -4.89 121.20 122.14 2bek s ILE 206 Ca 0.02 0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 58.94 2bek s ILE 206 Cb -0.13 -4.01 -0.07 0.00 -1.58 0.00 0.00 42.46 36.68 2bek s ILE 206 CO 0.03 -0.20 1.02 -2.16 -1.23 0.00 0.00 174.94 172.40 2bek s PRO 207 N 2.58 3.72 0.01 2.79 0.04 -1.26 -1.80 135.00 141.08 2bek s PRO 207 Ca 0.23 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 2bek s PRO 207 Cb -0.15 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2bek s PRO 207 CO 0.13 -0.48 1.29 0.50 0.04 0.00 0.00 177.00 178.49 2bek s ARG 208 N -3.85 4.34 -0.23 4.56 3.52 -0.19 -4.53 118.95 122.57 2bek s ARG 208 Ca 0.62 1.84 -0.08 0.00 -0.13 0.00 0.00 55.73 57.99 2bek s ARG 208 Cb -0.13 -3.48 0.10 0.00 -1.56 0.00 0.00 34.95 29.88 2bek s ARG 208 CO 0.30 -0.45 0.50 1.21 -0.81 0.00 0.00 175.30 176.04 2bek s ASN 209 N 1.49 -0.56 0.59 -2.12 3.84 -1.26 -4.90 114.94 112.02 2bek s ASN 209 Ca 0.60 1.18 0.29 0.00 0.21 0.00 0.00 52.86 55.14 2bek s ASN 209 Cb -0.29 1.61 1.60 0.00 -0.55 0.00 0.00 41.25 43.62 2bek s ASN 209 CO 0.26 -0.23 2.04 1.62 -2.79 0.00 0.00 177.10 178.00 2bek h VAL 210 N 6.06 0.43 0.00 -5.21 3.04 -2.01 -1.46 116.25 117.10 2bek h VAL 210 Ca -0.18 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 2bek h VAL 210 Cb 1.11 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2bek h VAL 210 CO 0.12 0.00 -0.09 0.03 -1.01 0.00 0.00 177.57 176.62 2bek h ARG 211 N 0.00 0.00 -0.14 4.17 3.08 -1.99 0.04 114.38 119.54 2bek h ARG 211 Ca 0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2bek h ARG 211 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2bek h ARG 211 CO -0.00 0.09 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.59 2bek h LEU 212 N 0.00 0.30 0.00 3.04 3.38 -1.68 -1.50 115.31 118.85 2bek h LEU 212 Ca -0.00 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 2bek h LEU 212 Cb 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2bek h LEU 212 CO 0.01 0.62 -0.91 0.00 0.09 0.00 0.00 178.44 178.25 2bek h ALA 213 N 1.40 0.54 -0.16 1.53 0.00 -1.19 -3.34 119.26 118.05 2bek h ALA 213 Ca 0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 2bek h ALA 213 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2bek h ALA 213 CO 0.05 1.01 -0.26 0.93 0.00 0.00 0.00 179.25 180.98 2bek h GLU 214 N 0.00 0.45 -1.00 0.00 5.08 -0.76 -3.37 114.58 114.99 2bek h GLU 214 Ca -0.05 -0.28 0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2bek h GLU 214 Cb 1.62 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.73 2bek h GLU 214 CO 0.09 0.87 -0.34 0.00 -1.00 0.00 0.00 179.01 178.63 2bek h ALA 215 N 0.57 0.32 -0.52 3.43 0.00 -1.40 -0.52 119.26 121.15 2bek h ALA 215 Ca 0.01 0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.33 2bek h ALA 215 Cb 0.84 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2bek h ALA 215 CO 0.06 -0.55 0.35 -1.35 0.00 0.00 0.00 179.25 177.77 2bek h PRO 216 N -0.00 0.30 0.00 0.00 0.11 -1.71 -0.93 132.00 129.77 2bek h PRO 216 Ca 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2bek h PRO 216 Cb 0.64 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2bek h PRO 216 CO -1.00 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 177.65 2bek h SER 217 N 0.31 0.00 -0.30 -2.05 4.64 -1.30 0.27 113.55 115.12 2bek h SER 217 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2bek h SER 217 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2bek h SER 217 CO -0.05 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.40 2bek n PHE 218 N -2.52 0.39 -2.16 4.77 3.72 -0.41 -4.95 117.46 116.30 2bek n PHE 218 Ca 0.00 -0.30 -0.17 0.00 -0.05 0.00 0.00 57.45 56.93 2bek n PHE 218 Cb 0.16 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.90 0.07 3.39 1.37 0.00 0.08 -4.87 105.19 106.14 2bek n GLY 219 Ca 0.13 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.58 1.43 0.75 1.61 1.02 -0.88 -3.88 119.74 115.20 2bek s LYS 220 Ca 0.00 -1.42 -0.11 0.00 0.02 0.00 0.00 55.97 54.47 2bek s LYS 220 Cb 0.00 -1.81 0.05 0.00 -0.52 0.00 0.00 37.83 35.55 2bek s LYS 220 CO 0.00 0.41 1.11 0.95 -0.92 0.00 0.00 175.35 176.90 2bek s THR 221 N -1.39 2.62 0.38 2.17 -4.23 -1.26 -3.57 115.64 110.36 2bek s THR 221 Ca 0.17 0.11 0.21 0.00 -1.18 0.00 0.00 61.69 60.99 2bek s THR 221 Cb -0.09 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.78 2bek s THR 221 CO 0.08 -0.23 1.97 -0.29 -0.54 0.00 0.00 174.62 175.61 2bek h ILE 222 N -0.80 0.85 0.00 2.99 6.09 -1.93 -0.18 117.51 124.53 2bek h ILE 222 Ca -0.45 -0.81 -0.03 0.00 -1.37 0.00 0.00 64.86 62.20 2bek h ILE 222 Cb 1.30 1.48 -0.00 0.00 0.47 0.00 0.00 36.82 40.06 2bek h ILE 222 CO 0.64 0.20 -0.13 0.00 -3.07 0.00 0.00 178.15 175.80 2bek h ALA 223 N 1.79 1.13 0.04 0.18 0.00 -1.92 -0.59 119.26 119.89 2bek h ALA 223 Ca -0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 2bek h ALA 223 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2bek h ALA 223 CO 0.03 0.16 -2.01 1.04 0.00 0.00 0.00 179.25 178.47 2bek n GLN 224 N -3.43 0.66 -0.03 0.00 6.02 -0.63 -4.11 117.38 115.85 2bek n GLN 224 Ca -0.01 0.32 -0.14 0.00 -0.01 0.00 0.00 57.00 57.16 2bek n GLN 224 Cb 0.30 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 2bek n GLN 224 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2bek h HIS 225 N -0.41 0.17 -1.17 1.08 2.76 -1.01 -3.42 115.15 113.15 2bek h HIS 225 Ca -0.49 -0.07 -0.40 0.00 -2.20 0.00 0.00 60.37 57.22 2bek h HIS 225 Cb 1.75 -0.03 -0.27 0.00 1.55 0.00 0.00 27.41 30.40 2bek h HIS 225 CO 0.04 0.71 -0.81 0.00 -1.30 0.00 0.00 177.93 176.58 2bek n ALA 226 N -2.43 0.62 0.21 5.26 0.00 -0.25 -5.01 120.51 118.89 2bek n ALA 226 Ca -0.08 -2.40 0.12 0.00 0.00 0.00 0.00 53.44 51.08 2bek n ALA 226 Cb 0.36 -1.07 0.65 0.00 0.00 0.00 0.00 19.45 19.39 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 4.23 0.00 -0.19 0.00 0.13 -1.65 -2.20 132.00 132.32 2bek h PRO 227 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2bek h PRO 227 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2bek h PRO 227 CO 0.36 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.38 2bek n THR 228 N -2.38 1.07 -1.78 1.56 -2.24 -1.26 -4.56 114.28 104.68 2bek n THR 228 Ca -0.02 -1.07 -0.30 0.00 -2.27 0.00 0.00 64.05 60.39 2bek n THR 228 Cb 0.14 0.45 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.09 5.53 0.26 3.42 1.04 -0.83 -4.86 113.70 117.19 2bek s SER 229 Ca 0.14 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.88 2bek s SER 229 Cb 0.08 -2.20 0.51 0.00 0.10 0.00 0.00 66.02 64.52 2bek s SER 229 CO 0.09 -1.31 1.78 -0.65 0.98 0.00 0.00 173.24 174.13 2bek h PRO 230 N -0.63 0.69 -0.56 4.02 0.11 -1.96 -1.89 132.00 131.79 2bek h PRO 230 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2bek h PRO 230 Cb 1.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2bek h PRO 230 CO 0.61 0.45 0.05 0.78 -0.21 0.00 0.00 178.00 179.69 2bek h GLY 231 N 0.71 0.98 0.88 -0.55 0.00 -1.91 -1.66 103.07 101.51 2bek h GLY 231 Ca 0.46 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2bek h GLY 231 CO -0.33 0.60 -0.00 0.00 0.00 0.00 0.00 176.54 176.81 2bek h ALA 232 N 1.20 0.40 -0.77 3.60 0.00 -1.59 -0.82 119.26 121.27 2bek h ALA 232 Ca 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2bek h ALA 232 Cb 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2bek h ALA 232 CO 0.01 0.14 0.33 0.45 0.00 0.00 0.00 179.25 180.19 2bek h HIS 233 N 0.31 1.14 -0.14 0.00 3.86 -1.30 -1.05 115.15 117.97 2bek h HIS 233 Ca 0.08 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2bek h HIS 233 Cb 0.43 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2bek h HIS 233 CO 0.04 0.85 0.04 0.00 0.86 0.00 0.00 177.93 179.72 2bek h ALA 234 N 1.25 0.18 0.00 2.45 0.00 -1.08 -1.67 119.26 120.40 2bek h ALA 234 Ca 0.26 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2bek h ALA 234 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bek h ALA 234 CO -0.03 -0.20 -0.27 1.88 0.00 0.00 0.00 179.25 180.63 2bek h TYR 235 N 0.04 0.00 -0.31 0.00 0.05 -0.99 -0.31 116.97 115.46 2bek h TYR 235 Ca 0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 2bek h TYR 235 Cb 0.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2bek h TYR 235 CO -0.00 0.27 -0.23 -0.09 -1.05 0.00 0.00 178.16 177.06 2bek h ARG 236 N 0.00 0.71 -0.22 4.88 2.43 -0.96 -1.42 114.38 119.81 2bek h ARG 236 Ca -0.00 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 2bek h ARG 236 Cb 0.64 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2bek h ARG 236 CO 0.04 0.96 -0.26 0.00 -1.51 0.00 0.00 179.97 179.19 2bek h ARG 237 N 0.47 0.42 -0.47 0.20 3.08 -0.86 -2.91 114.38 114.31 2bek h ARG 237 Ca 0.06 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 2bek h ARG 237 Cb 0.79 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2bek h ARG 237 CO 0.06 0.65 0.03 1.25 -1.07 0.00 0.00 179.97 180.89 2bek h LEU 238 N 0.37 0.80 -0.85 3.04 5.85 -0.82 -1.56 115.31 122.14 2bek h LEU 238 Ca 0.05 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2bek h LEU 238 Cb 0.66 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2bek h LEU 238 CO 0.05 0.89 0.52 0.00 -0.34 0.00 0.00 178.44 179.56 2bek h ALA 239 N 0.93 1.17 -0.67 1.25 0.00 -1.08 0.25 119.26 121.12 2bek h ALA 239 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2bek h ALA 239 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2bek h ALA 239 CO 0.02 0.24 0.09 1.49 0.00 0.00 0.00 179.25 181.09 2bek h GLU 240 N 0.93 1.12 -0.50 0.00 4.81 -1.31 -1.88 114.58 117.75 2bek h GLU 240 Ca 0.38 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 2bek h GLU 240 Cb 0.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2bek h GLU 240 CO -0.19 1.03 -0.19 1.49 -0.73 0.00 0.00 179.01 180.42 2bek h GLU 241 N 1.04 0.99 -0.39 1.92 4.81 -0.20 -1.78 114.58 120.97 2bek h GLU 241 Ca 0.20 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2bek h GLU 241 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2bek h GLU 241 CO 0.02 1.08 0.19 0.28 -0.73 0.00 0.00 179.01 179.85 2bek h VAL 242 N 0.86 1.17 -0.75 0.32 2.07 -0.39 -1.05 116.25 118.49 2bek h VAL 242 Ca 0.12 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2bek h VAL 242 Cb 0.76 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2bek h VAL 242 CO 0.06 0.18 0.38 0.24 0.02 0.00 0.00 177.57 178.46 2bek h MET 243 N 0.49 1.06 -0.75 1.57 2.86 -1.23 0.21 114.93 119.15 2bek h MET 243 Ca 0.13 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2bek h MET 243 Cb 0.12 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2bek h MET 243 CO -0.02 0.81 0.36 0.00 1.06 0.00 0.00 176.91 179.11 2bek h ALA 244 N 1.35 0.97 -0.02 6.32 0.00 -0.85 -1.19 119.26 125.83 2bek h ALA 244 Ca 0.26 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2bek h ALA 244 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2bek h ALA 244 CO -0.04 0.53 -0.83 0.00 0.00 0.00 0.00 179.25 178.92 2bek h ARG 245 N 1.05 0.29 -0.54 0.00 3.08 -0.53 -2.48 114.38 115.25 2bek h ARG 245 Ca 0.26 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2bek h ARG 245 Cb 0.12 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2bek h ARG 245 CO -0.03 0.97 0.16 0.28 -1.07 0.00 0.00 179.97 180.28 2bek h VAL 246 N 0.18 1.24 -0.41 2.04 2.07 -0.39 -0.15 116.25 120.82 2bek h VAL 246 Ca -0.04 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 2bek h VAL 246 Cb 1.43 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2bek h VAL 246 CO 0.13 0.30 -0.05 1.56 0.02 0.00 0.00 177.57 179.54 2bek h GLN 247 N 0.76 0.69 0.29 1.57 4.20 -1.18 -3.10 115.11 118.34 2bek h GLN 247 Ca 0.17 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2bek h GLN 247 Cb 0.30 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2bek h GLN 247 CO -0.00 0.74 -0.14 1.49 -0.67 0.00 0.00 178.83 180.25 2bek h GLU 248 N 0.65 -0.38 0.00 1.46 4.81 -1.13 -3.52 114.58 116.47 2bek h GLU 248 Ca 0.12 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2bek h GLU 248 Cb 0.47 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2bek h GLU 248 CO 0.02 -0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.26