#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p75 s GLU 2 N 0.00 4.22 -0.02 2.12 2.12 -1.26 -1.18 118.70 124.69 2p75 s GLU 2 Ca 0.00 2.23 0.02 0.00 0.36 0.00 0.00 54.97 57.58 2p75 s GLU 2 Cb 0.00 -3.58 0.01 0.00 0.26 0.00 0.00 34.13 30.81 2p75 s GLU 2 CO 0.00 -0.69 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.46 2p75 s LEU 3 N 2.55 1.69 -0.20 2.70 1.43 -0.56 -2.18 118.68 124.11 2p75 s LEU 3 Ca 0.71 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2p75 s LEU 3 Cb -0.38 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 2p75 s LEU 3 CO 0.31 0.02 0.03 0.26 0.23 0.00 0.00 176.35 177.20 2p75 s TRP 4 N 0.34 3.11 -0.30 0.29 0.52 -0.19 -0.61 118.94 122.10 2p75 s TRP 4 Ca -0.04 -0.25 -0.09 0.00 0.02 0.00 0.00 56.10 55.74 2p75 s TRP 4 Cb -0.09 -2.09 -0.01 0.00 -1.15 0.00 0.00 33.47 30.14 2p75 s TRP 4 CO 0.00 -0.10 0.14 -0.51 0.02 0.00 0.00 176.95 176.50 2p75 s LEU 5 N 0.81 4.02 -0.17 2.99 2.01 0.12 -0.01 118.68 128.46 2p75 s LEU 5 Ca 0.02 -0.53 -0.03 0.00 0.01 0.00 0.00 54.13 53.60 2p75 s LEU 5 Cb -0.14 -1.98 -0.02 0.00 0.01 0.00 0.00 46.19 44.06 2p75 s LEU 5 CO 0.02 -0.18 -0.07 -0.69 1.01 0.00 0.00 176.35 176.44 2p75 s VAL 6 N 1.60 3.51 -0.11 -1.59 1.01 0.29 -0.99 120.40 124.11 2p75 s VAL 6 Ca 0.04 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 2p75 s VAL 6 Cb -0.17 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2p75 s VAL 6 CO 0.06 0.48 0.60 -0.60 0.00 0.00 0.00 175.10 175.64 2p75 s ARG 7 N 0.66 4.35 0.88 2.72 3.52 -0.25 -0.58 118.95 130.26 2p75 s ARG 7 Ca -0.04 0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 56.10 2p75 s ARG 7 Cb -0.15 -3.47 0.05 0.00 -1.56 0.00 0.00 34.95 29.82 2p75 s ARG 7 CO 0.02 0.04 0.69 -2.39 -0.81 0.00 0.00 175.30 172.85 2p75 n HIS 8 N 4.01 -0.49 -0.70 5.12 1.44 -0.79 -0.38 115.22 123.42 2p75 n HIS 8 Ca -0.03 0.31 -0.29 0.00 -2.01 0.00 0.00 57.72 55.70 2p75 n HIS 8 Cb 0.51 -1.90 0.23 0.00 0.12 0.00 0.00 29.99 28.95 2p75 n HIS 8 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2p75 s GLY 9 N -2.05 1.56 0.58 -1.39 0.00 -1.26 -1.62 107.32 103.14 2p75 s GLY 9 Ca 0.63 -0.13 -0.18 0.00 0.00 0.00 0.00 44.72 45.04 2p75 s GLY 9 CO 0.61 0.54 1.14 -1.83 0.00 0.00 0.00 173.10 173.57 2p75 s GLU 10 N -4.59 3.13 0.45 2.90 -1.05 -1.26 -4.73 118.70 113.54 2p75 s GLU 10 Ca 0.68 1.61 0.03 0.00 -0.15 0.00 0.00 54.97 57.14 2p75 s GLU 10 Cb -0.23 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 2p75 s GLU 10 CO 0.62 -1.03 0.05 0.95 0.95 0.00 0.00 175.26 176.80 2p75 s THR 11 N -1.86 1.10 0.41 1.83 -4.23 -1.26 -1.55 115.64 110.08 2p75 s THR 11 Ca 0.73 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 2p75 s THR 11 Cb -0.25 -2.37 0.19 0.00 1.34 0.00 0.00 72.50 71.40 2p75 s THR 11 CO 0.32 0.00 1.96 -0.07 -0.54 0.00 0.00 174.62 176.29 2p75 h LEU 12 N 1.60 0.21 -0.99 4.79 3.38 -1.93 -2.34 115.31 120.03 2p75 h LEU 12 Ca -0.41 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2p75 h LEU 12 Cb 1.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2p75 h LEU 12 CO 0.69 0.32 0.00 -0.50 0.09 0.00 0.00 178.44 179.05 2p75 h TRP 13 N 0.22 0.00 -0.29 1.13 4.06 -1.95 -1.29 115.95 117.83 2p75 h TRP 13 Ca 0.05 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.84 2p75 h TRP 13 Cb 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.44 2p75 h TRP 13 CO 0.00 0.00 -0.44 -0.91 -3.56 0.00 0.00 178.44 173.53 2p75 h ASN 14 N 0.00 0.89 1.24 -3.49 4.21 -1.69 -0.25 115.58 116.49 2p75 h ASN 14 Ca 0.00 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 57.00 2p75 h ASN 14 Cb 0.58 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 2p75 h ASN 14 CO 0.00 1.23 -0.41 0.08 -1.29 0.00 0.00 177.43 177.04 2p75 h ARG 15 N 0.58 0.00 0.00 0.81 0.11 -1.58 -3.22 114.38 111.09 2p75 h ARG 15 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2p75 h ARG 15 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2p75 h ARG 15 CO 0.10 0.00 -0.53 0.39 0.10 0.00 0.00 179.97 180.03 2p75 n GLU 16 N -2.40 0.11 -2.93 0.08 1.02 -0.50 -4.98 120.64 111.04 2p75 n GLU 16 Ca 0.03 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 2p75 n GLU 16 Cb 0.47 -1.57 0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2p75 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p75 n GLY 17 N 1.44 0.36 3.62 0.62 0.00 -0.26 -4.89 105.19 106.08 2p75 n GLY 17 Ca 0.05 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2p75 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p75 s ARG 18 N -5.51 2.54 0.08 1.61 0.52 -0.31 -1.12 118.95 116.76 2p75 s ARG 18 Ca 0.23 -0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 54.37 2p75 s ARG 18 Cb -0.10 -2.51 -0.09 0.00 0.52 0.00 0.00 34.95 32.77 2p75 s ARG 18 CO 0.29 0.58 1.70 -0.51 0.02 0.00 0.00 175.30 177.38 2p75 s LEU 19 N -1.69 4.37 -0.26 2.53 1.43 -0.02 -4.68 118.68 120.37 2p75 s LEU 19 Ca 0.19 2.55 0.02 0.00 -1.03 0.00 0.00 54.13 55.86 2p75 s LEU 19 Cb -0.11 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.61 2p75 s LEU 19 CO 0.11 -0.92 -0.06 -0.22 0.23 0.00 0.00 176.35 175.48 2p75 s LEU 20 N 2.73 3.20 0.00 1.79 2.96 -1.26 0.41 118.68 128.51 2p75 s LEU 20 Ca 0.76 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 2p75 s LEU 20 Cb -0.41 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 44.89 2p75 s LEU 20 CO 0.33 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 2p75 n GLY 21 N 4.52 0.62 0.72 7.98 0.00 -1.26 -4.90 105.19 112.87 2p75 n GLY 21 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2p75 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p75 n TRP 22 N 0.00 0.13 -2.20 1.61 7.02 -1.26 -4.57 117.44 118.16 2p75 n TRP 22 Ca 0.00 -0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 55.99 2p75 n TRP 22 Cb 0.00 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 2p75 n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2p75 s THR 23 N -1.87 3.89 -1.45 -0.99 2.01 -1.26 -4.90 115.64 111.07 2p75 s THR 23 Ca 0.34 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.33 2p75 s THR 23 Cb 0.20 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 69.05 2p75 s THR 23 CO 0.31 -0.09 2.34 -0.67 -0.69 0.00 0.00 174.62 175.82 2p75 n ASP 24 N 6.74 5.67 -4.81 3.53 2.03 -1.26 -4.98 116.55 123.47 2p75 n ASP 24 Ca 0.15 -2.87 -0.33 0.00 0.52 0.00 0.00 54.79 52.26 2p75 n ASP 24 Cb 0.44 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 39.22 2p75 n ASP 24 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2p75 s LEU 25 N 0.80 3.87 0.63 -2.67 1.43 -1.26 -4.86 118.68 116.62 2p75 s LEU 25 Ca 0.51 1.81 -0.05 0.00 -1.03 0.00 0.00 54.13 55.37 2p75 s LEU 25 Cb 0.14 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.85 2p75 s LEU 25 CO -0.06 -0.59 0.93 -2.16 0.23 0.00 0.00 176.35 174.69 2p75 s PRO 26 N -3.25 2.61 0.58 1.29 0.04 -1.26 -3.63 135.00 131.37 2p75 s PRO 26 Ca 0.65 -0.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 2p75 s PRO 26 Cb -0.13 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2p75 s PRO 26 CO 0.18 -0.90 1.04 -0.51 0.04 0.00 0.00 177.00 176.85 2p75 s LEU 27 N -5.06 3.51 0.77 -3.56 1.43 -1.26 -4.50 118.68 110.01 2p75 s LEU 27 Ca 0.56 1.73 -0.06 0.00 -1.03 0.00 0.00 54.13 55.33 2p75 s LEU 27 Cb -0.11 -4.52 0.12 0.00 0.03 0.00 0.00 46.19 41.71 2p75 s LEU 27 CO 0.44 -1.02 1.07 0.42 0.23 0.00 0.00 176.35 177.49 2p75 s THR 28 N -2.54 2.18 0.29 5.49 -4.23 -0.59 -4.85 115.64 111.37 2p75 s THR 28 Ca 0.62 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2p75 s THR 28 Cb -0.14 -2.84 0.25 0.00 1.34 0.00 0.00 72.50 71.11 2p75 s THR 28 CO 0.37 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.39 2p75 h ALA 29 N -0.80 1.35 -0.17 3.99 0.00 -1.97 -1.02 119.26 120.65 2p75 h ALA 29 Ca -0.41 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2p75 h ALA 29 Cb 1.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2p75 h ALA 29 CO 0.47 0.57 -0.39 1.49 0.00 0.00 0.00 179.25 181.39 2p75 h GLU 30 N 1.14 0.37 -0.59 0.00 4.57 -1.93 -1.94 114.58 116.19 2p75 h GLU 30 Ca 0.30 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2p75 h GLU 30 Cb -0.08 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2p75 h GLU 30 CO -0.06 0.71 0.10 0.78 -1.18 0.00 0.00 179.01 179.36 2p75 h GLY 31 N 1.15 1.03 1.44 1.92 0.00 -1.37 -0.25 103.07 106.98 2p75 h GLY 31 Ca 0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 2p75 h GLY 31 CO 0.07 0.60 -0.35 0.83 0.00 0.00 0.00 176.54 177.69 2p75 h GLU 32 N 0.90 0.63 -0.62 4.80 5.08 -0.95 -1.67 114.58 122.75 2p75 h GLU 32 Ca 0.19 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2p75 h GLU 32 Cb 0.39 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2p75 h GLU 32 CO 0.01 0.89 0.14 0.00 -1.00 0.00 0.00 179.01 179.04 2p75 h ALA 33 N 1.09 0.82 -0.64 3.43 0.00 -0.85 -0.69 119.26 122.41 2p75 h ALA 33 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2p75 h ALA 33 Cb 0.85 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2p75 h ALA 33 CO 0.07 0.54 0.35 1.96 0.00 0.00 0.00 179.25 182.18 2p75 h GLN 34 N 0.92 0.89 -0.54 0.00 4.20 -0.82 -1.68 115.11 118.08 2p75 h GLN 34 Ca 0.19 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2p75 h GLN 34 Cb 0.38 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2p75 h GLN 34 CO 0.00 0.67 0.24 0.00 -0.67 0.00 0.00 178.83 179.08 2p75 h ALA 35 N 1.17 0.69 -0.58 3.87 0.00 -0.93 -2.76 119.26 120.72 2p75 h ALA 35 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2p75 h ALA 35 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2p75 h ALA 35 CO -0.04 0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.74 2p75 h ARG 36 N 0.72 0.84 0.00 0.00 3.08 -0.82 -2.11 114.38 116.09 2p75 h ARG 36 Ca 0.18 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2p75 h ARG 36 Cb 0.15 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2p75 h ARG 36 CO -0.02 0.67 -0.02 0.00 -1.07 0.00 0.00 179.97 179.54 2p75 h ARG 37 N 0.83 0.00 0.00 0.04 3.08 -1.02 -2.29 114.38 115.02 2p75 h ARG 37 Ca 0.20 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2p75 h ARG 37 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2p75 h ARG 37 CO -0.02 0.02 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.59 2p75 h LEU 38 N 0.00 0.00 -9.61 3.04 3.38 -1.30 -3.44 115.31 107.38 2p75 h LEU 38 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2p75 h LEU 38 Cb 0.24 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.07 2p75 h LEU 38 CO 0.00 0.23 0.62 1.17 0.09 0.00 0.00 178.44 180.55 2p75 n LYS 39 N -3.22 2.08 0.00 1.13 4.81 -0.86 -1.59 118.16 120.50 2p75 n LYS 39 Ca 0.02 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2p75 n LYS 39 Cb 0.55 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.20 2p75 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2p75 n GLY 40 N 2.06 3.00 0.15 3.14 0.00 -1.26 -4.84 105.19 107.43 2p75 n GLY 40 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2p75 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p75 h ALA 41 N 0.00 0.54 -2.74 4.61 0.00 -1.59 -3.46 119.26 116.62 2p75 h ALA 41 Ca 0.00 -0.67 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 2p75 h ALA 41 Cb 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 2p75 h ALA 41 CO 0.00 0.83 -0.58 -1.64 0.00 0.00 0.00 179.25 177.86 2p75 s MET 42 N -3.38 2.82 0.63 0.00 -1.94 -1.26 -5.09 119.30 111.08 2p75 s MET 42 Ca -0.04 -0.91 -0.18 0.00 -1.71 0.00 0.00 55.69 52.85 2p75 s MET 42 Cb 0.10 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 2p75 s MET 42 CO 0.84 0.48 1.20 -1.25 -0.01 0.00 0.00 175.02 176.28 2p75 s PRO 43 N -3.06 2.79 -1.40 2.03 0.04 -1.26 -4.88 135.00 129.26 2p75 s PRO 43 Ca 0.30 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2p75 s PRO 43 Cb -0.10 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.61 2p75 s PRO 43 CO 0.23 -1.33 2.22 0.45 0.04 0.00 0.00 177.00 178.60 2p75 n SER 44 N -1.89 5.42 -4.91 6.66 2.88 -1.26 -4.94 113.62 115.59 2p75 n SER 44 Ca 0.13 -2.93 -0.28 0.00 -1.33 0.00 0.00 58.87 54.46 2p75 n SER 44 Cb 0.50 -1.55 0.06 0.00 -0.75 0.00 0.00 64.21 62.47 2p75 n SER 44 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2p75 s LEU 45 N 0.61 2.91 0.28 2.46 1.43 -1.26 -4.98 118.68 120.14 2p75 s LEU 45 Ca 0.48 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 2p75 s LEU 45 Cb 0.13 -3.47 -0.13 0.00 0.03 0.00 0.00 46.19 42.76 2p75 s LEU 45 CO -0.05 -1.42 1.35 -2.65 0.23 0.00 0.00 176.35 173.81 2p75 n PRO 46 N -2.91 2.07 -4.30 1.29 -0.02 -1.26 -4.53 135.00 125.35 2p75 n PRO 46 Ca 0.07 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 2p75 n PRO 46 Cb 0.59 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 2p75 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p75 s ALA 47 N -0.51 3.27 0.08 3.55 0.00 -1.26 -1.15 121.76 125.74 2p75 s ALA 47 Ca 0.62 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2p75 s ALA 47 Cb -0.61 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2p75 s ALA 47 CO 0.55 0.64 -0.08 -0.06 0.00 0.00 0.00 175.76 176.81 2p75 s PHE 48 N -1.07 0.88 0.02 0.00 0.40 -0.36 -1.16 117.98 116.69 2p75 s PHE 48 Ca 0.19 -0.70 -0.21 0.00 -0.60 0.00 0.00 56.93 55.60 2p75 s PHE 48 Cb -0.11 -0.50 0.05 0.00 0.51 0.00 0.00 43.02 42.96 2p75 s PHE 48 CO 0.10 -0.08 0.48 0.45 0.70 0.00 0.00 175.22 176.87 2p75 s SER 49 N -2.40 -0.39 0.59 1.36 0.15 -0.31 -0.95 113.70 111.75 2p75 s SER 49 Ca 0.03 0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.69 2p75 s SER 49 Cb -0.02 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2p75 s SER 49 CO -0.02 -0.64 1.26 -0.55 1.20 0.00 0.00 173.24 174.50 2p75 s SER 50 N -1.73 5.07 0.00 5.45 0.15 -0.37 -1.25 113.70 121.02 2p75 s SER 50 Ca -0.08 2.54 0.30 0.00 0.70 0.00 0.00 55.95 59.41 2p75 s SER 50 Cb -0.01 -2.61 1.53 0.00 -1.71 0.00 0.00 66.02 63.22 2p75 s SER 50 CO 0.01 -1.68 2.05 -0.90 1.20 0.00 0.00 173.24 173.92 2p75 n ASP 51 N -1.51 0.07 -4.77 5.45 5.75 -1.25 -3.98 116.55 116.31 2p75 n ASP 51 Ca 0.13 -0.33 -0.39 0.00 -0.01 0.00 0.00 54.79 54.20 2p75 n ASP 51 Cb 0.48 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2p75 n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p75 s LEU 52 N -2.48 4.23 0.21 -2.12 1.43 -1.26 -4.80 118.68 113.89 2p75 s LEU 52 Ca 0.31 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.71 2p75 s LEU 52 Cb 0.20 -3.95 0.22 0.00 0.03 0.00 0.00 46.19 42.70 2p75 s LEU 52 CO 0.45 -0.71 1.59 0.25 0.23 0.00 0.00 176.35 178.16 2p75 h LEU 53 N 2.73 -1.00 -1.72 1.79 5.85 -1.89 -1.36 115.31 119.71 2p75 h LEU 53 Ca -0.49 0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2p75 h LEU 53 Cb 1.24 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.80 2p75 h LEU 53 CO 0.63 -0.28 0.29 0.08 -0.34 0.00 0.00 178.44 178.81 2p75 h ARG 54 N -0.07 0.34 0.03 1.25 0.11 -1.91 0.85 114.38 114.98 2p75 h ARG 54 Ca 0.30 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.29 2p75 h ARG 54 Cb 0.56 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.57 2p75 h ARG 54 CO -0.77 0.22 -0.31 0.00 0.10 0.00 0.00 179.97 179.22 2p75 h ALA 55 N 1.77 -0.01 -0.39 0.08 0.00 -1.58 -2.69 119.26 116.44 2p75 h ALA 55 Ca 0.18 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2p75 h ALA 55 Cb 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2p75 h ALA 55 CO -0.04 0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.49 2p75 h ARG 56 N -0.62 0.32 -0.45 0.00 3.08 -0.90 -0.80 114.38 115.00 2p75 h ARG 56 Ca -0.05 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2p75 h ARG 56 Cb 1.16 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2p75 h ARG 56 CO 0.06 0.21 0.05 -0.09 -1.07 0.00 0.00 179.97 179.13 2p75 h ARG 57 N 0.32 0.70 -0.41 0.04 9.65 -0.95 -0.55 114.38 123.19 2p75 h ARG 57 Ca 0.18 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2p75 h ARG 57 Cb 0.14 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2p75 h ARG 57 CO -0.17 0.68 0.07 1.15 2.80 0.00 0.00 179.97 184.50 2p75 h THR 58 N 0.67 1.24 -0.44 0.20 2.02 -1.03 -1.22 112.91 114.35 2p75 h THR 58 Ca 0.14 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 2p75 h THR 58 Cb 0.34 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2p75 h THR 58 CO 0.01 0.30 0.25 0.00 0.37 0.00 0.00 175.52 176.45 2p75 h ALA 59 N 0.93 0.56 0.03 6.16 0.00 -0.72 -0.81 119.26 125.41 2p75 h ALA 59 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2p75 h ALA 59 Cb 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2p75 h ALA 59 CO 0.01 0.07 -0.03 1.49 0.00 0.00 0.00 179.25 180.78 2p75 h GLU 60 N 0.58 -0.07 0.00 0.00 4.81 -0.93 -0.68 114.58 118.30 2p75 h GLU 60 Ca 0.16 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2p75 h GLU 60 Cb 0.02 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2p75 h GLU 60 CO -0.03 -0.04 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.01 2p75 h LEU 61 N -0.07 0.00 -0.24 1.64 3.38 -1.13 -1.88 115.31 117.02 2p75 h LEU 61 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2p75 h LEU 61 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2p75 h LEU 61 CO -0.01 0.13 -0.04 0.00 0.09 0.00 0.00 178.44 178.61 2p75 n ALA 62 N -2.19 2.67 -1.18 1.53 0.00 -0.32 -4.13 120.51 116.89 2p75 n ALA 62 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2p75 n ALA 62 Cb 0.34 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2p75 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p75 n GLY 63 N 1.16 1.07 3.32 0.00 0.00 -0.70 -3.88 105.19 106.15 2p75 n GLY 63 Ca 0.19 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2p75 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p75 s PHE 64 N -2.23 1.60 -0.61 1.61 0.40 -0.29 -5.03 117.98 113.42 2p75 s PHE 64 Ca 0.00 -0.62 0.04 0.00 -0.60 0.00 0.00 56.93 55.76 2p75 s PHE 64 Cb 0.00 -0.76 0.16 0.00 0.51 0.00 0.00 43.02 42.93 2p75 s PHE 64 CO 0.00 0.29 0.42 -1.12 0.70 0.00 0.00 175.22 175.51 2p75 s SER 65 N -3.27 4.10 0.37 1.36 0.01 -1.26 -3.91 113.70 111.11 2p75 s SER 65 Ca 0.21 -3.52 -0.24 0.00 1.31 0.00 0.00 55.95 53.71 2p75 s SER 65 Cb -0.00 -1.38 -0.10 0.00 0.21 0.00 0.00 66.02 64.75 2p75 s SER 65 CO 0.05 -0.13 0.98 -2.16 0.41 0.00 0.00 173.24 172.39 2p75 s PRO 66 N -0.91 4.35 0.06 12.44 0.04 -1.26 -4.71 135.00 145.02 2p75 s PRO 66 Ca 0.25 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2p75 s PRO 66 Cb -0.07 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 2p75 s PRO 66 CO -0.14 0.06 1.08 1.03 0.04 0.00 0.00 177.00 179.07 2p75 s ARG 67 N -2.48 4.53 -0.07 4.56 0.52 -0.31 -4.80 118.95 120.91 2p75 s ARG 67 Ca 0.56 1.60 -0.22 0.00 -0.52 0.00 0.00 55.73 57.14 2p75 s ARG 67 Cb -0.17 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2p75 s ARG 67 CO 0.22 -0.07 0.66 -0.51 0.02 0.00 0.00 175.30 175.62 2p75 s LEU 68 N 0.69 4.31 -0.07 2.53 1.43 -1.26 -1.16 118.68 125.15 2p75 s LEU 68 Ca 0.53 1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 54.75 2p75 s LEU 68 Cb -0.26 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 42.98 2p75 s LEU 68 CO 0.30 -0.09 0.01 -0.31 0.23 0.00 0.00 176.35 176.49 2p75 s TYR 69 N 0.73 0.58 -0.07 0.29 1.51 -0.38 -4.93 117.35 115.08 2p75 s TYR 69 Ca 0.35 -0.12 0.30 0.00 -1.01 0.00 0.00 57.07 56.59 2p75 s TYR 69 Cb -0.17 -0.76 1.37 0.00 -0.11 0.00 0.00 41.96 42.29 2p75 s TYR 69 CO 0.17 -0.32 1.89 -1.35 -1.11 0.00 0.00 175.55 174.83 2p75 h PRO 70 N 8.34 0.00 0.00 -1.71 0.11 -1.95 -2.17 132.00 134.63 2p75 h PRO 70 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2p75 h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2p75 h PRO 70 CO 0.24 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.96 2p75 h GLU 71 N 0.00 0.00 -0.17 1.05 3.07 -1.94 -1.03 114.58 115.56 2p75 h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p75 h GLU 71 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2p75 h GLU 71 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2p75 n LEU 72 N -3.00 1.67 -4.76 1.33 4.77 -0.81 -4.22 117.00 111.98 2p75 n LEU 72 Ca -0.02 -0.71 -0.33 0.00 -0.03 0.00 0.00 56.01 54.93 2p75 n LEU 72 Cb 0.13 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2p75 n LEU 72 CO 0.21 0.35 0.74 -0.13 -1.33 0.00 0.00 177.39 177.23 2p75 s ARG 73 N -1.78 2.62 0.95 3.23 0.52 -0.39 -4.27 118.95 119.83 2p75 s ARG 73 Ca 0.32 1.39 -0.12 0.00 -0.52 0.00 0.00 55.73 56.80 2p75 s ARG 73 Cb 0.17 -1.93 0.16 0.00 0.52 0.00 0.00 34.95 33.88 2p75 s ARG 73 CO 0.26 -1.39 1.09 -2.00 0.02 0.00 0.00 175.30 173.27 2p75 s GLU 74 N -4.22 0.80 0.58 3.54 2.56 -1.26 -4.88 118.70 115.81 2p75 s GLU 74 Ca 0.67 0.87 -0.20 0.00 0.00 0.00 0.00 54.97 56.31 2p75 s GLU 74 Cb -0.21 -1.75 -0.04 0.00 2.00 0.00 0.00 34.13 34.13 2p75 s GLU 74 CO 0.45 -2.57 1.25 -1.50 -0.56 0.00 0.00 175.26 172.32 2p75 s ILE 75 N -2.83 2.49 -0.35 -3.70 2.07 -1.26 -4.72 121.20 112.90 2p75 s ILE 75 Ca 0.65 0.32 -0.26 0.00 -1.41 0.00 0.00 60.65 59.95 2p75 s ILE 75 Cb -0.20 -3.14 0.01 0.00 0.13 0.00 0.00 42.46 39.27 2p75 s ILE 75 CO 0.58 -0.05 0.93 -2.28 -1.91 0.00 0.00 174.94 172.22 2p75 s HIS 76 N -1.50 3.11 -1.59 3.50 5.65 -1.26 -4.20 115.29 119.00 2p75 s HIS 76 Ca 0.75 0.85 0.29 0.00 0.25 0.00 0.00 55.06 57.21 2p75 s HIS 76 Cb -0.33 -3.59 1.56 0.00 -1.18 0.00 0.00 32.58 29.03 2p75 s HIS 76 CO 0.37 -0.78 2.04 1.19 -0.65 0.00 0.00 174.74 176.91 2p75 n PHE 77 N 6.71 0.00 0.00 3.88 3.72 -1.26 -0.83 117.46 129.68 2p75 n PHE 77 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2p75 n PHE 77 Cb 0.48 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2p75 n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p75 n GLY 78 N 1.09 3.62 0.21 1.37 0.00 -1.26 -0.92 105.19 109.30 2p75 n GLY 78 Ca 0.16 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.27 2p75 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p75 h ALA 79 N -0.91 1.00 -0.00 4.61 0.00 -1.15 -2.17 119.26 120.63 2p75 h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p75 h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2p75 h ALA 79 CO 0.00 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.44 2p75 n LEU 80 N -2.55 0.48 -4.66 0.00 4.77 -0.10 -4.82 117.00 110.12 2p75 n LEU 80 Ca -0.01 -0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.50 2p75 n LEU 80 Cb 0.13 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2p75 n LEU 80 CO 0.17 0.09 1.17 -0.62 -1.33 0.00 0.00 177.39 176.87 2p75 n GLU 81 N -0.90 2.08 -0.98 3.23 -0.58 -0.82 -0.85 120.64 121.82 2p75 n GLU 81 Ca 0.15 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 2p75 n GLU 81 Cb 0.27 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 2p75 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p75 n GLY 82 N 3.34 0.95 3.75 0.62 0.00 0.17 -4.95 105.19 109.06 2p75 n GLY 82 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2p75 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p75 s ALA 83 N -3.85 3.46 0.13 4.61 0.00 -0.03 -4.59 121.76 121.48 2p75 s ALA 83 Ca 0.00 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 2p75 s ALA 83 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2p75 s ALA 83 CO 0.00 -0.40 1.45 -0.51 0.00 0.00 0.00 175.76 176.31 2p75 s LEU 84 N -0.65 4.37 0.26 0.00 1.43 -1.26 -0.84 118.68 121.98 2p75 s LEU 84 Ca 0.51 2.42 -0.05 0.00 -1.03 0.00 0.00 54.13 55.98 2p75 s LEU 84 Cb -0.34 -3.59 0.29 0.00 0.03 0.00 0.00 46.19 42.58 2p75 s LEU 84 CO 0.40 -0.71 1.90 -0.25 0.23 0.00 0.00 176.35 177.91 2p75 h TRP 85 N 6.86 1.18 -0.79 0.29 2.91 -1.47 -2.54 115.95 122.40 2p75 h TRP 85 Ca -0.42 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 59.71 2p75 h TRP 85 Cb 1.21 -0.38 -0.08 0.00 -0.51 0.00 0.00 29.16 29.39 2p75 h TRP 85 CO 0.66 0.79 0.39 1.49 -1.03 0.00 0.00 178.44 180.74 2p75 h GLU 86 N 1.23 0.59 -0.55 2.65 4.81 -1.91 -2.49 114.58 118.91 2p75 h GLU 86 Ca 0.32 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2p75 h GLU 86 Cb -0.03 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.21 2p75 h GLU 86 CO -0.06 0.39 0.00 0.25 -0.73 0.00 0.00 179.01 178.86 2p75 n THR 87 N -4.87 1.82 -1.82 0.32 -2.24 -1.10 -4.99 114.28 101.40 2p75 n THR 87 Ca 0.14 -1.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.23 2p75 n THR 87 Cb 0.36 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2p75 n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2p75 s LEU 88 N -1.90 4.35 0.36 3.22 0.20 -0.94 -4.90 118.68 119.06 2p75 s LEU 88 Ca 0.46 2.89 -0.27 0.00 0.69 0.00 0.00 54.13 57.90 2p75 s LEU 88 Cb 0.31 -3.63 -0.12 0.00 -0.43 0.00 0.00 46.19 42.32 2p75 s LEU 88 CO 0.21 -0.88 1.20 -0.67 -0.29 0.00 0.00 176.35 175.92 2p75 n ASP 89 N 2.36 2.25 -0.25 3.68 -0.08 -1.26 -4.70 116.55 118.55 2p75 n ASP 89 Ca 0.08 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.72 2p75 n ASP 89 Cb 0.38 -1.43 0.51 0.00 2.34 0.00 0.00 41.12 42.92 2p75 n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2p75 h PRO 90 N 2.21 0.39 -0.21 -0.67 0.11 -1.98 -1.20 132.00 130.65 2p75 h PRO 90 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2p75 h PRO 90 Cb 1.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2p75 h PRO 90 CO 0.61 0.26 -0.38 0.07 -0.21 0.00 0.00 178.00 178.34 2p75 h ARG 91 N 0.40 0.47 0.12 1.05 0.11 -1.99 0.65 114.38 115.20 2p75 h ARG 91 Ca 0.48 -0.23 -0.30 0.00 0.10 0.00 0.00 59.98 60.03 2p75 h ARG 91 Cb 1.20 -0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.31 2p75 h ARG 91 CO -0.18 0.79 -1.24 1.88 0.10 0.00 0.00 179.97 181.31 2p75 h TYR 92 N 0.40 1.02 -0.38 4.08 0.05 -1.69 -1.77 116.97 118.68 2p75 h TYR 92 Ca 0.04 -0.64 -0.00 0.00 0.05 0.00 0.00 58.73 58.18 2p75 h TYR 92 Cb 0.85 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2p75 h TYR 92 CO 0.03 1.48 0.23 -0.22 -1.05 0.00 0.00 178.16 178.63 2p75 h LYS 93 N 0.27 0.51 -0.31 4.88 3.64 -1.15 0.86 116.57 125.26 2p75 h LYS 93 Ca -0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2p75 h LYS 93 Cb 1.91 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.61 2p75 h LYS 93 CO 0.24 0.37 0.03 0.93 -2.27 0.00 0.00 179.45 178.76 2p75 h GLU 94 N 0.50 0.52 -0.51 1.90 4.39 -0.93 -0.91 114.58 119.53 2p75 h GLU 94 Ca 0.14 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.75 2p75 h GLU 94 Cb -0.01 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 2p75 h GLU 94 CO -0.03 0.63 0.21 0.00 -1.16 0.00 0.00 179.01 178.67 2p75 h ALA 95 N 0.87 0.64 -0.41 3.43 0.00 -0.97 0.34 119.26 123.17 2p75 h ALA 95 Ca 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2p75 h ALA 95 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2p75 h ALA 95 CO 0.01 -0.17 -0.12 -0.07 0.00 0.00 0.00 179.25 178.89 2p75 h LEU 96 N 0.41 0.73 -0.33 0.00 3.38 -0.67 -3.03 115.31 115.79 2p75 h LEU 96 Ca 0.24 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2p75 h LEU 96 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2p75 h LEU 96 CO -0.22 0.87 -0.44 -0.07 0.09 0.00 0.00 178.44 178.67 2p75 h LEU 97 N 0.67 0.00 0.00 1.67 3.38 -0.44 -3.30 115.31 117.29 2p75 h LEU 97 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2p75 h LEU 97 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2p75 h LEU 97 CO 0.04 0.44 -0.64 0.03 0.09 0.00 0.00 178.44 178.40 2p75 h ARG 98 N 0.00 0.00 -6.35 1.13 3.08 -0.90 -3.48 114.38 107.86 2p75 h ARG 98 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 2p75 h ARG 98 Cb 1.20 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.14 2p75 h ARG 98 CO 0.06 0.00 -0.76 1.19 -1.07 0.00 0.00 179.97 179.39 2p75 n PHE 99 N -2.24 -2.00 -0.06 3.04 3.01 -1.15 -4.84 117.46 113.22 2p75 n PHE 99 Ca 0.03 0.80 -0.07 0.00 1.01 0.00 0.00 57.45 59.22 2p75 n PHE 99 Cb 0.46 -3.40 -0.08 0.00 -0.01 0.00 0.00 39.48 36.45 2p75 n PHE 99 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2p75 n GLN 100 N -4.42 1.65 -3.61 -1.08 6.02 -1.26 -5.07 117.38 109.60 2p75 n GLN 100 Ca 0.05 0.02 -0.05 0.00 -0.01 0.00 0.00 57.00 57.01 2p75 n GLN 100 Cb 0.51 -1.29 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 2p75 n GLN 100 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2p75 s GLY 101 N -4.67 -0.13 -0.29 1.08 0.00 -1.26 -5.02 107.32 97.03 2p75 s GLY 101 Ca -0.10 2.24 -0.16 0.00 0.00 0.00 0.00 44.72 46.71 2p75 s GLY 101 CO 0.42 0.91 0.96 -0.12 0.00 0.00 0.00 173.10 175.27 2p75 s PHE 102 N -1.47 -0.65 -0.40 1.90 5.36 -1.26 -4.58 117.98 116.88 2p75 s PHE 102 Ca 0.06 1.23 0.04 0.00 -0.96 0.00 0.00 56.93 57.30 2p75 s PHE 102 Cb -0.01 0.39 0.16 0.00 -0.34 0.00 0.00 43.02 43.22 2p75 s PHE 102 CO -0.04 -0.32 0.41 -1.58 -1.46 0.00 0.00 175.22 172.23 2p75 s HIS 103 N 1.70 -0.15 0.42 10.12 2.46 -1.26 -0.66 115.29 127.92 2p75 s HIS 103 Ca -0.07 -1.15 -0.25 0.00 0.47 0.00 0.00 55.06 54.05 2p75 s HIS 103 Cb -0.05 -0.43 -0.08 0.00 -0.13 0.00 0.00 32.58 31.89 2p75 s HIS 103 CO -0.16 -0.98 1.26 -1.25 -2.47 0.00 0.00 174.74 171.14 2p75 s PRO 104 N 1.03 3.92 0.17 2.88 0.04 -1.26 -4.92 135.00 136.86 2p75 s PRO 104 Ca 0.22 2.05 -0.34 0.00 0.04 0.00 0.00 61.00 62.98 2p75 s PRO 104 Cb -0.09 -2.68 -0.13 0.00 0.04 0.00 0.00 34.50 31.63 2p75 s PRO 104 CO -0.06 -0.50 1.61 -0.35 0.04 0.00 0.00 177.00 177.74 2p75 n PRO 105 N -0.00 2.27 -0.91 0.56 -0.04 -1.26 -0.47 135.00 135.15 2p75 n PRO 105 Ca 0.05 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2p75 n PRO 105 Cb 0.45 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 2p75 n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2p75 n GLY 106 N 3.54 0.40 0.00 0.55 0.00 -1.26 -0.67 105.19 107.75 2p75 n GLY 106 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2p75 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p75 n GLY 107 N -1.58 5.14 3.72 -0.02 0.00 0.38 -4.24 105.19 108.60 2p75 n GLY 107 Ca 0.00 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 2p75 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p75 s GLU 108 N 1.41 2.94 0.54 1.61 2.12 -0.01 -4.80 118.70 122.51 2p75 s GLU 108 Ca 0.00 -0.52 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 2p75 s GLU 108 Cb 0.00 -2.77 -0.06 0.00 0.26 0.00 0.00 34.13 31.56 2p75 s GLU 108 CO 0.00 0.65 0.96 -1.54 -0.54 0.00 0.00 175.26 174.79 2p75 s SER 109 N -1.50 6.41 0.27 -1.70 1.04 -1.26 -4.27 113.70 112.70 2p75 s SER 109 Ca 0.20 1.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.98 2p75 s SER 109 Cb -0.12 -2.44 0.37 0.00 0.10 0.00 0.00 66.02 63.93 2p75 s SER 109 CO 0.10 -0.68 1.93 0.25 0.98 0.00 0.00 173.24 175.82 2p75 h LEU 110 N 0.38 1.05 -0.71 2.42 5.85 -1.26 -0.89 115.31 122.15 2p75 h LEU 110 Ca -0.46 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2p75 h LEU 110 Cb 1.19 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2p75 h LEU 110 CO 0.62 0.74 0.29 0.28 -0.34 0.00 0.00 178.44 180.02 2p75 h SER 111 N 1.22 0.98 -0.39 1.25 0.02 -1.93 0.35 113.55 115.05 2p75 h SER 111 Ca 0.36 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2p75 h SER 111 Cb -0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2p75 h SER 111 CO -0.10 0.88 -0.28 0.00 -1.14 0.00 0.00 176.83 176.19 2p75 h ALA 112 N 1.13 0.70 0.13 3.77 0.00 -1.81 -0.44 119.26 122.75 2p75 h ALA 112 Ca 0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2p75 h ALA 112 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2p75 h ALA 112 CO -0.02 0.67 -0.08 0.35 0.00 0.00 0.00 179.25 180.17 2p75 h PHE 113 N 0.77 -0.21 -0.79 0.00 3.57 -0.85 -2.34 116.94 117.09 2p75 h PHE 113 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2p75 h PHE 113 Cb 0.85 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2p75 h PHE 113 CO 0.05 -0.13 0.41 1.96 -2.23 0.00 0.00 178.31 178.37 2p75 h GLN 114 N -0.21 1.11 -0.10 1.11 4.20 -0.81 -1.86 115.11 118.56 2p75 h GLN 114 Ca -0.01 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.59 2p75 h GLN 114 Cb 0.17 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2p75 h GLN 114 CO 0.01 0.83 -0.07 1.49 -0.67 0.00 0.00 178.83 180.43 2p75 h GLU 115 N 1.11 -0.07 -0.16 1.46 4.22 -0.77 -0.38 114.58 119.99 2p75 h GLU 115 Ca 0.28 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.55 2p75 h GLU 115 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2p75 h GLU 115 CO -0.04 -0.04 -0.60 0.07 -2.18 0.00 0.00 179.01 176.22 2p75 h ARG 116 N -0.07 0.55 -0.07 1.92 0.11 -1.25 -1.35 114.38 114.22 2p75 h ARG 116 Ca 0.06 -0.37 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2p75 h ARG 116 Cb 0.16 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 2p75 h ARG 116 CO -0.14 0.98 -0.01 0.28 0.10 0.00 0.00 179.97 181.18 2p75 h VAL 117 N 0.41 1.27 0.00 0.08 2.07 -1.20 -1.77 116.25 117.11 2p75 h VAL 117 Ca -0.00 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 2p75 h VAL 117 Cb 1.16 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2p75 h VAL 117 CO 0.11 0.23 -0.52 -0.26 0.02 0.00 0.00 177.57 177.16 2p75 h PHE 118 N -0.18 0.00 -0.51 1.57 0.04 -1.12 -1.51 116.94 115.24 2p75 h PHE 118 Ca 0.02 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 2p75 h PHE 118 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2p75 h PHE 118 CO 0.04 0.52 -0.16 -0.09 -0.60 0.00 0.00 178.31 178.02 2p75 h ARG 119 N 0.00 1.00 -0.15 1.51 2.43 -1.22 -0.64 114.38 117.31 2p75 h ARG 119 Ca -0.01 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2p75 h ARG 119 Cb 1.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2p75 h ARG 119 CO 0.07 1.08 0.07 0.35 -1.51 0.00 0.00 179.97 180.03 2p75 h PHE 120 N 0.87 0.22 -0.62 2.20 3.57 -1.03 -1.90 116.94 120.25 2p75 h PHE 120 Ca 0.12 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2p75 h PHE 120 Cb 0.73 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 2p75 h PHE 120 CO 0.05 0.26 0.36 -0.07 -2.23 0.00 0.00 178.31 176.68 2p75 h LEU 121 N 0.11 0.75 -1.83 0.59 3.38 -1.15 -2.17 115.31 115.00 2p75 h LEU 121 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2p75 h LEU 121 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2p75 h LEU 121 CO -0.01 0.61 -0.06 -0.33 0.09 0.00 0.00 178.44 178.75 2p75 h GLU 122 N 0.84 0.00 0.00 1.13 5.08 -1.02 -2.57 114.58 118.04 2p75 h GLU 122 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2p75 h GLU 122 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2p75 h GLU 122 CO -0.04 0.06 -0.37 0.41 -1.00 0.00 0.00 179.01 178.07 2p75 n GLY 123 N -0.34 -1.44 3.75 -3.84 0.00 -0.72 -4.89 105.19 97.71 2p75 n GLY 123 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2p75 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p75 s LEU 124 N -3.71 4.36 0.00 0.99 1.43 -0.97 -4.91 118.68 115.87 2p75 s LEU 124 Ca 0.10 2.85 0.13 0.00 -1.03 0.00 0.00 54.13 56.18 2p75 s LEU 124 Cb 0.15 -3.63 0.26 0.00 0.03 0.00 0.00 46.19 43.01 2p75 s LEU 124 CO 0.66 -0.84 1.15 0.29 0.23 0.00 0.00 176.35 177.84 2p75 n LYS 125 N 2.20 2.07 -3.61 1.70 5.02 -1.26 -5.02 118.16 119.27 2p75 n LYS 125 Ca 0.08 -1.82 -0.05 0.00 -2.02 0.00 0.00 58.31 54.49 2p75 n LYS 125 Cb 0.38 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 2p75 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p75 s ALA 126 N -1.04 -1.84 0.68 7.82 0.00 -1.26 -5.15 121.76 120.96 2p75 s ALA 126 Ca 0.23 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 2p75 s ALA 126 Cb 0.13 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2p75 s ALA 126 CO 0.18 -0.84 0.89 -2.30 0.00 0.00 0.00 175.76 173.69 2p75 n PRO 127 N -0.33 0.60 -3.54 0.00 -0.02 -1.26 -4.99 135.00 125.46 2p75 n PRO 127 Ca -0.07 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2p75 n PRO 127 Cb 0.61 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2p75 n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p75 s ALA 128 N -1.73 -1.42 -0.19 3.55 0.00 -0.93 -4.02 121.76 117.02 2p75 s ALA 128 Ca 0.73 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 2p75 s ALA 128 Cb -0.37 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2p75 s ALA 128 CO 0.50 -0.81 -0.03 0.08 0.00 0.00 0.00 175.76 175.50 2p75 s VAL 129 N -3.79 3.70 -0.25 0.00 1.01 -0.30 -1.02 120.40 119.75 2p75 s VAL 129 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2p75 s VAL 129 Cb -0.02 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2p75 s VAL 129 CO -0.09 0.44 -0.05 -0.76 0.00 0.00 0.00 175.10 174.65 2p75 s LEU 130 N 0.99 3.25 -0.32 3.92 1.43 0.98 -1.22 118.68 127.71 2p75 s LEU 130 Ca 0.01 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 2p75 s LEU 130 Cb -0.15 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 2p75 s LEU 130 CO 0.01 -0.14 0.67 -0.36 0.23 0.00 0.00 176.35 176.76 2p75 s PHE 131 N 1.33 3.19 0.00 0.29 0.08 -0.13 -0.55 117.98 122.19 2p75 s PHE 131 Ca 0.00 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.60 2p75 s PHE 131 Cb -0.17 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 2p75 s PHE 131 CO -0.04 -0.55 0.00 -2.37 -0.10 0.00 0.00 175.22 172.16 2p75 n THR 132 N 5.50 0.00 -4.47 0.64 5.66 0.26 -1.23 114.28 120.63 2p75 n THR 132 Ca -0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 2p75 n THR 132 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 2p75 n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2p75 s HIS 133 N 0.62 2.14 0.26 1.09 3.76 -1.26 -1.88 115.29 120.02 2p75 s HIS 133 Ca 0.00 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 54.31 2p75 s HIS 133 Cb 0.00 -1.19 0.54 0.00 1.11 0.00 0.00 32.58 33.04 2p75 s HIS 133 CO 0.00 0.44 1.74 0.78 -0.85 0.00 0.00 174.74 176.85 2p75 h GLY 134 N 2.20 1.34 1.76 -2.22 0.00 -1.92 -0.98 103.07 103.25 2p75 h GLY 134 Ca -0.41 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 2p75 h GLY 134 CO 0.67 -0.08 -0.13 -1.33 0.00 0.00 0.00 176.54 175.67 2p75 h GLY 135 N 0.55 0.31 0.61 4.60 0.00 -1.97 -0.40 103.07 106.78 2p75 h GLY 135 Ca 0.46 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 2p75 h GLY 135 CO -0.40 0.18 -0.41 -2.08 0.00 0.00 0.00 176.54 173.84 2p75 h VAL 136 N 0.28 1.49 -0.58 4.60 2.07 -1.57 -1.76 116.25 120.77 2p75 h VAL 136 Ca 0.05 -1.99 0.03 0.00 0.82 0.00 0.00 66.70 65.61 2p75 h VAL 136 Cb 0.41 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 2p75 h VAL 136 CO 0.02 0.56 0.35 0.58 0.02 0.00 0.00 177.57 179.10 2p75 h VAL 137 N -0.30 1.05 -0.73 2.57 2.07 -1.09 -1.78 116.25 118.04 2p75 h VAL 137 Ca -0.05 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2p75 h VAL 137 Cb 1.14 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2p75 h VAL 137 CO 0.08 0.12 0.32 -0.09 0.02 0.00 0.00 177.57 178.03 2p75 h ARG 138 N 0.68 1.06 -0.81 1.57 2.43 -1.09 -0.28 114.38 117.93 2p75 h ARG 138 Ca 0.24 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2p75 h ARG 138 Cb 0.04 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2p75 h ARG 138 CO -0.11 0.84 0.54 0.00 -1.51 0.00 0.00 179.97 179.73 2p75 h ALA 139 N 1.31 1.04 -0.18 2.80 0.00 -0.60 0.48 119.26 124.11 2p75 h ALA 139 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2p75 h ALA 139 Cb 0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2p75 h ALA 139 CO -0.03 0.43 -0.09 0.28 0.00 0.00 0.00 179.25 179.85 2p75 h VAL 140 N 1.09 1.31 -0.55 0.00 2.07 -0.78 -2.17 116.25 117.22 2p75 h VAL 140 Ca 0.30 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2p75 h VAL 140 Cb -0.11 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2p75 h VAL 140 CO -0.07 0.34 0.37 -0.07 0.02 0.00 0.00 177.57 178.15 2p75 h LEU 141 N 0.05 0.63 -1.06 2.57 3.38 -0.76 -2.59 115.31 117.53 2p75 h LEU 141 Ca 0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2p75 h LEU 141 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2p75 h LEU 141 CO 0.03 0.45 -0.40 0.03 0.09 0.00 0.00 178.44 178.64 2p75 h ARG 142 N 0.75 0.13 0.00 1.13 3.08 -0.58 -0.32 114.38 118.56 2p75 h ARG 142 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2p75 h ARG 142 Cb -0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2p75 h ARG 142 CO -0.05 0.51 -0.09 0.00 -1.07 0.00 0.00 179.97 179.27 2p75 h ALA 143 N 1.48 1.11 -0.60 0.04 0.00 -1.02 -2.45 119.26 117.83 2p75 h ALA 143 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2p75 h ALA 143 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2p75 h ALA 143 CO 0.06 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.71 2p75 n LEU 144 N -3.36 5.16 0.00 0.00 4.77 -0.69 -4.93 117.00 117.95 2p75 n LEU 144 Ca -0.01 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 2p75 n LEU 144 Cb 0.28 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2p75 n LEU 144 CO 0.29 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 2p75 n GLY 145 N 0.82 0.55 1.73 -0.72 0.00 -0.92 -4.75 105.19 101.90 2p75 n GLY 145 Ca 0.26 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2p75 n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2p75 n GLU 146 N -2.89 1.18 -3.55 1.61 1.02 -0.21 -5.00 120.64 112.79 2p75 n GLU 146 Ca 0.00 -1.77 -0.07 0.00 -0.02 0.00 0.00 57.16 55.30 2p75 n GLU 146 Cb 0.00 0.64 0.02 0.00 -0.02 0.00 0.00 31.44 32.08 2p75 n GLU 146 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2p75 n ASP 147 N -1.38 -1.95 0.00 1.62 2.03 -1.26 -2.47 116.55 113.15 2p75 n ASP 147 Ca -0.08 -2.27 0.00 0.00 0.52 0.00 0.00 54.79 52.96 2p75 n ASP 147 Cb 0.31 3.22 0.00 0.00 -0.72 0.00 0.00 41.12 43.93 2p75 n ASP 147 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p75 n GLY 148 N -0.54 3.54 3.37 0.27 0.00 -1.26 -4.97 105.19 105.61 2p75 n GLY 148 Ca -0.06 -1.56 -0.46 0.00 0.00 0.00 0.00 46.02 43.94 2p75 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p75 s LEU 149 N 0.00 6.20 0.49 0.99 2.96 -1.26 -4.53 118.68 123.53 2p75 s LEU 149 Ca 0.00 -2.60 -0.20 0.00 -0.22 0.00 0.00 54.13 51.11 2p75 s LEU 149 Cb 0.00 -2.27 -0.11 0.00 0.50 0.00 0.00 46.19 44.31 2p75 s LEU 149 CO 0.00 -0.69 0.56 1.33 -1.32 0.00 0.00 176.35 176.23 2p75 n VAL 150 N 4.31 2.00 -1.63 1.68 0.24 -1.26 -4.91 118.33 118.76 2p75 n VAL 150 Ca 0.18 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.65 2p75 n VAL 150 Cb 0.47 -0.65 0.06 0.00 -1.47 0.00 0.00 33.84 32.26 2p75 n VAL 150 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2p75 s PRO 151 N -1.83 2.54 0.36 7.34 0.02 -1.26 -4.93 135.00 137.24 2p75 s PRO 151 Ca 0.65 1.53 -0.28 0.00 0.02 0.00 0.00 61.00 62.92 2p75 s PRO 151 Cb -0.52 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 31.97 2p75 s PRO 151 CO 0.56 -1.48 1.40 -2.30 -0.33 0.00 0.00 177.00 174.86 2p75 n PRO 152 N -2.53 2.42 -0.99 5.54 -0.02 -1.26 -2.00 135.00 136.16 2p75 n PRO 152 Ca 0.11 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2p75 n PRO 152 Cb 0.51 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2p75 n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p75 n GLY 153 N 0.61 0.67 3.98 -1.23 0.00 0.49 -4.72 105.19 104.99 2p75 n GLY 153 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2p75 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p75 s SER 154 N -2.38 5.63 0.05 1.61 1.04 -0.85 -4.76 113.70 114.03 2p75 s SER 154 Ca 0.00 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 2p75 s SER 154 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 2p75 s SER 154 CO 0.00 -0.64 -0.00 0.00 0.98 0.00 0.00 173.24 173.57 2p75 s ALA 155 N -2.32 0.35 -0.02 5.32 0.00 0.18 -1.09 121.76 124.17 2p75 s ALA 155 Ca 0.51 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2p75 s ALA 155 Cb -0.09 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2p75 s ALA 155 CO 0.31 -0.34 -0.03 0.14 0.00 0.00 0.00 175.76 175.84 2p75 s VAL 156 N -3.42 0.34 -0.12 0.00 -7.23 -0.16 -0.02 120.40 109.79 2p75 s VAL 156 Ca 0.02 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 2p75 s VAL 156 Cb 0.04 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 2p75 s VAL 156 CO -0.08 0.15 0.08 0.00 -0.31 0.00 0.00 175.10 174.94 2p75 s ALA 157 N 0.57 3.60 0.06 1.32 0.00 0.01 0.12 121.76 127.44 2p75 s ALA 157 Ca -0.06 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2p75 s ALA 157 Cb -0.10 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 2p75 s ALA 157 CO -0.01 0.54 -0.08 0.14 0.00 0.00 0.00 175.76 176.35 2p75 s VAL 158 N -0.76 0.61 -1.07 0.00 -7.23 0.22 0.02 120.40 112.19 2p75 s VAL 158 Ca 0.13 -1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 2p75 s VAL 158 Cb -0.12 -0.85 0.19 0.00 0.56 0.00 0.00 36.38 36.17 2p75 s VAL 158 CO 0.03 -0.47 1.20 -0.62 -0.31 0.00 0.00 175.10 174.93 2p75 s ASP 159 N -1.88 6.98 0.20 4.85 2.15 0.24 -1.49 116.67 127.72 2p75 s ASP 159 Ca -0.05 -2.87 -0.30 0.00 0.43 0.00 0.00 52.55 49.76 2p75 s ASP 159 Cb -0.07 -2.33 -0.09 0.00 -0.30 0.00 0.00 42.92 40.13 2p75 s ASP 159 CO -0.00 -0.69 1.34 0.86 -0.17 0.00 0.00 175.17 176.51 2p75 s TRP 160 N 1.00 3.21 -0.53 -5.34 -0.11 -0.33 0.16 118.94 117.00 2p75 s TRP 160 Ca 0.34 1.15 0.01 0.00 1.22 0.00 0.00 56.10 58.83 2p75 s TRP 160 Cb -0.06 -3.66 0.45 0.00 -1.50 0.00 0.00 33.47 28.71 2p75 s TRP 160 CO -0.05 -2.10 1.72 -0.35 -4.62 0.00 0.00 176.95 171.55 2p75 n PRO 161 N 2.72 3.04 -0.09 5.86 -0.04 -1.26 -0.27 135.00 144.95 2p75 n PRO 161 Ca 0.07 -3.62 -0.10 0.00 -0.04 0.00 0.00 63.50 59.81 2p75 n PRO 161 Cb 0.42 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 2p75 n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p75 n ARG 162 N -0.84 0.50 -3.76 0.54 1.74 0.42 -4.96 116.66 110.29 2p75 n ARG 162 Ca 0.56 0.46 -0.07 0.00 -0.77 0.00 0.00 57.85 58.03 2p75 n ARG 162 Cb 0.77 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 2p75 n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2p75 s ARG 163 N -2.41 1.55 0.19 5.56 1.70 -0.88 -4.96 118.95 119.71 2p75 s ARG 163 Ca -0.22 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 53.93 2p75 s ARG 163 Cb 0.04 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 34.89 2p75 s ARG 163 CO 0.35 -0.70 0.94 0.08 -1.08 0.00 0.00 175.30 174.89 2p75 s VAL 164 N -3.72 4.23 -0.23 4.99 1.01 -1.26 0.79 120.40 126.21 2p75 s VAL 164 Ca 0.10 2.08 -0.11 0.00 0.00 0.00 0.00 61.98 64.04 2p75 s VAL 164 Cb -0.04 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 2p75 s VAL 164 CO 0.03 0.44 -0.04 0.18 0.00 0.00 0.00 175.10 175.70 2p75 n LEU 165 N 1.95 2.30 -3.57 3.92 4.77 0.10 -4.81 117.00 121.67 2p75 n LEU 165 Ca -0.01 0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2p75 n LEU 165 Cb 0.48 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 2p75 n LEU 165 CO 0.50 0.64 0.86 0.54 -1.33 0.00 0.00 177.39 178.60 2p75 s VAL 166 N -2.48 0.00 0.02 4.08 0.11 -1.10 -5.00 120.40 116.03 2p75 s VAL 166 Ca -0.32 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 2p75 s VAL 166 Cb 0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2p75 s VAL 166 CO 0.60 0.00 -0.22 -0.13 -3.33 0.00 0.00 175.10 172.02 2p75 s ARG 167 N -2.02 2.05 -0.22 1.54 0.52 -1.26 -0.80 118.95 118.75 2p75 s ARG 167 Ca 0.04 -0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 2p75 s ARG 167 Cb -0.01 -2.12 0.06 0.00 0.52 0.00 0.00 34.95 33.40 2p75 s ARG 167 CO -0.04 0.55 -0.03 -1.17 0.02 0.00 0.00 175.30 174.63 2p75 s LEU 168 N -1.12 2.12 -0.33 2.53 2.96 0.97 -5.00 118.68 120.80 2p75 s LEU 168 Ca 0.12 -1.05 0.01 0.00 -0.22 0.00 0.00 54.13 52.99 2p75 s LEU 168 Cb -0.10 -0.99 0.10 0.00 0.50 0.00 0.00 46.19 45.70 2p75 s LEU 168 CO 0.02 -0.25 0.10 0.00 -1.32 0.00 0.00 176.35 174.90 2p75 s ALA 169 N 1.54 1.99 -2.09 5.97 0.00 -1.26 -0.65 121.76 127.25 2p75 s ALA 169 Ca -0.04 -2.02 0.31 0.00 0.00 0.00 0.00 51.96 50.21 2p75 s ALA 169 Cb -0.18 -1.75 1.75 0.00 0.00 0.00 0.00 23.12 22.94 2p75 s ALA 169 CO -0.07 -1.72 2.14 1.28 0.00 0.00 0.00 175.76 177.39