#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p78 s GLU 2 N 0.00 4.08 -0.05 2.12 2.12 -1.26 -1.14 118.70 124.56 2p78 s GLU 2 Ca 0.00 2.10 0.03 0.00 0.36 0.00 0.00 54.97 57.45 2p78 s GLU 2 Cb 0.00 -4.01 0.01 0.00 0.26 0.00 0.00 34.13 30.39 2p78 s GLU 2 CO 0.00 -0.97 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.12 2p78 s LEU 3 N 4.40 1.72 -0.33 2.70 1.43 -0.45 -2.13 118.68 126.02 2p78 s LEU 3 Ca 0.74 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2p78 s LEU 3 Cb -0.32 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2p78 s LEU 3 CO 0.30 0.06 0.18 0.26 0.23 0.00 0.00 176.35 177.38 2p78 s TRP 4 N 0.44 3.20 -0.41 0.29 0.52 -0.07 -0.75 118.94 122.15 2p78 s TRP 4 Ca -0.10 -0.51 -0.20 0.00 0.02 0.00 0.00 56.10 55.31 2p78 s TRP 4 Cb -0.13 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.81 2p78 s TRP 4 CO 0.03 -0.45 0.62 -0.51 0.02 0.00 0.00 176.95 176.65 2p78 s LEU 5 N 1.64 4.46 -0.21 2.99 1.43 0.14 0.39 118.68 129.52 2p78 s LEU 5 Ca 0.05 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 2p78 s LEU 5 Cb -0.17 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2p78 s LEU 5 CO 0.07 -0.70 0.03 -0.69 0.23 0.00 0.00 176.35 175.29 2p78 s VAL 6 N 2.72 4.18 -0.14 -1.59 1.01 0.04 -1.42 120.40 125.19 2p78 s VAL 6 Ca 0.22 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 2p78 s VAL 6 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2p78 s VAL 6 CO 0.17 0.41 0.64 -0.60 0.00 0.00 0.00 175.10 175.72 2p78 s ARG 7 N 1.06 4.30 0.93 2.72 3.52 -0.21 -0.63 118.95 130.64 2p78 s ARG 7 Ca 0.03 0.70 -0.12 0.00 -0.13 0.00 0.00 55.73 56.21 2p78 s ARG 7 Cb -0.14 -3.52 0.09 0.00 -1.56 0.00 0.00 34.95 29.82 2p78 s ARG 7 CO 0.02 -0.10 0.79 -2.39 -0.81 0.00 0.00 175.30 172.82 2p78 n HIS 8 N 4.48 -0.24 -0.64 5.12 1.44 -0.92 -0.85 115.22 123.61 2p78 n HIS 8 Ca -0.02 0.32 -0.28 0.00 -2.01 0.00 0.00 57.72 55.73 2p78 n HIS 8 Cb 0.50 -1.90 0.25 0.00 0.12 0.00 0.00 29.99 28.96 2p78 n HIS 8 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2p78 s GLY 9 N -2.30 1.53 0.56 -1.39 0.00 -1.26 -1.90 107.32 102.56 2p78 s GLY 9 Ca 0.62 -0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.91 2p78 s GLY 9 CO 0.62 0.48 1.09 -1.83 0.00 0.00 0.00 173.10 173.46 2p78 s GLU 10 N -4.58 3.34 0.48 2.90 -1.05 -1.26 -4.76 118.70 113.76 2p78 s GLU 10 Ca 0.68 1.43 0.02 0.00 -0.15 0.00 0.00 54.97 56.95 2p78 s GLU 10 Cb -0.23 -2.02 -0.02 0.00 -0.44 0.00 0.00 34.13 31.42 2p78 s GLU 10 CO 0.63 -0.83 0.04 0.95 0.95 0.00 0.00 175.26 177.00 2p78 s THR 11 N -2.07 1.03 0.34 1.83 -4.23 -1.26 -1.57 115.64 109.70 2p78 s THR 11 Ca 0.68 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 2p78 s THR 11 Cb -0.20 -2.24 0.15 0.00 1.34 0.00 0.00 72.50 71.55 2p78 s THR 11 CO 0.30 0.00 1.87 -0.07 -0.54 0.00 0.00 174.62 176.18 2p78 h LEU 12 N 1.49 0.44 -1.27 4.79 3.38 -1.94 -2.49 115.31 119.71 2p78 h LEU 12 Ca -0.41 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 2p78 h LEU 12 Cb 1.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2p78 h LEU 12 CO 0.69 0.55 -0.11 -0.50 0.09 0.00 0.00 178.44 179.16 2p78 h TRP 13 N 0.45 0.00 -0.39 1.13 4.06 -1.95 -0.54 115.95 118.71 2p78 h TRP 13 Ca 0.09 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.93 2p78 h TRP 13 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2p78 h TRP 13 CO 0.01 0.11 -0.23 -0.91 -3.56 0.00 0.00 178.44 173.86 2p78 h ASN 14 N 0.00 0.79 1.01 -3.49 4.21 -1.72 0.12 115.58 116.50 2p78 h ASN 14 Ca -0.00 -0.29 -0.08 0.00 1.21 0.00 0.00 56.30 57.14 2p78 h ASN 14 Cb 0.63 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 2p78 h ASN 14 CO 0.01 1.00 -1.04 0.08 -1.29 0.00 0.00 177.43 176.19 2p78 h ARG 15 N 0.67 0.00 0.00 0.81 0.11 -1.55 -3.28 114.38 111.14 2p78 h ARG 15 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2p78 h ARG 15 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2p78 h ARG 15 CO 0.06 0.18 0.00 0.93 0.10 0.00 0.00 179.97 181.24 2p78 h GLU 16 N 0.00 0.00 -2.67 0.08 5.08 -0.97 -3.48 114.58 112.63 2p78 h GLU 16 Ca -0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2p78 h GLU 16 Cb 1.29 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.59 2p78 h GLU 16 CO 0.03 0.00 -0.21 0.41 -1.00 0.00 0.00 179.01 178.24 2p78 n GLY 17 N 1.14 0.39 3.57 -3.84 0.00 0.30 -4.90 105.19 101.86 2p78 n GLY 17 Ca 0.05 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2p78 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p78 s ARG 18 N -4.96 2.27 0.02 1.61 0.52 -0.56 -0.73 118.95 117.12 2p78 s ARG 18 Ca 0.10 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 2p78 s ARG 18 Cb -0.04 -2.36 -0.08 0.00 0.52 0.00 0.00 34.95 32.99 2p78 s ARG 18 CO 0.21 0.54 1.80 -0.51 0.02 0.00 0.00 175.30 177.37 2p78 s LEU 19 N -1.84 4.38 -0.29 2.53 1.43 0.53 -4.70 118.68 120.72 2p78 s LEU 19 Ca 0.19 2.51 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 2p78 s LEU 19 Cb -0.11 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.64 2p78 s LEU 19 CO 0.11 -0.98 -0.04 -0.22 0.23 0.00 0.00 176.35 175.45 2p78 s LEU 20 N 3.90 3.88 0.00 1.79 2.96 -1.26 0.35 118.68 130.30 2p78 s LEU 20 Ca 0.81 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 2p78 s LEU 20 Cb -0.39 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2p78 s LEU 20 CO 0.36 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 2p78 n GLY 21 N 4.46 0.64 0.49 7.98 0.00 -1.26 -4.88 105.19 112.62 2p78 n GLY 21 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2p78 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p78 n TRP 22 N 0.00 0.00 -1.98 1.61 7.02 -1.26 -4.57 117.44 118.26 2p78 n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2p78 n TRP 22 Cb 0.00 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 2p78 n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2p78 s THR 23 N -2.25 3.54 -1.54 -0.99 2.01 -1.26 -4.88 115.64 110.27 2p78 s THR 23 Ca 0.28 0.65 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 2p78 s THR 23 Cb 0.20 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2p78 s THR 23 CO 0.43 -0.06 2.60 -0.67 -0.69 0.00 0.00 174.62 176.23 2p78 n ASP 24 N 7.21 6.32 -4.79 3.53 2.03 -1.26 -4.98 116.55 124.61 2p78 n ASP 24 Ca 0.18 -2.71 -0.36 0.00 0.52 0.00 0.00 54.79 52.42 2p78 n ASP 24 Cb 0.43 -1.61 -0.04 0.00 -0.72 0.00 0.00 41.12 39.18 2p78 n ASP 24 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2p78 s LEU 25 N 1.19 4.07 0.67 -2.67 1.43 -1.26 -4.85 118.68 117.26 2p78 s LEU 25 Ca 0.58 2.01 -0.07 0.00 -1.03 0.00 0.00 54.13 55.62 2p78 s LEU 25 Cb 0.16 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 42.14 2p78 s LEU 25 CO -0.07 -0.55 0.99 -2.16 0.23 0.00 0.00 176.35 174.78 2p78 s PRO 26 N -2.67 2.55 0.52 1.29 0.04 -1.26 -3.73 135.00 131.74 2p78 s PRO 26 Ca 0.60 -0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 2p78 s PRO 26 Cb -0.20 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 2p78 s PRO 26 CO 0.26 -1.02 1.02 -0.51 0.04 0.00 0.00 177.00 176.79 2p78 s LEU 27 N -5.18 3.69 0.85 -3.56 1.43 -1.26 -4.51 118.68 110.14 2p78 s LEU 27 Ca 0.57 1.78 -0.09 0.00 -1.03 0.00 0.00 54.13 55.36 2p78 s LEU 27 Cb -0.11 -4.54 0.16 0.00 0.03 0.00 0.00 46.19 41.73 2p78 s LEU 27 CO 0.46 -0.81 1.17 0.42 0.23 0.00 0.00 176.35 177.82 2p78 s THR 28 N -2.30 2.07 0.28 5.49 -4.23 -0.61 -4.84 115.64 111.51 2p78 s THR 28 Ca 0.64 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 2p78 s THR 28 Cb -0.14 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.07 2p78 s THR 28 CO 0.27 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.22 2p78 h ALA 29 N -1.13 1.27 -0.47 3.99 0.00 -1.97 -1.14 119.26 119.81 2p78 h ALA 29 Ca -0.41 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 2p78 h ALA 29 Cb 1.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2p78 h ALA 29 CO 0.41 0.55 -0.14 1.49 0.00 0.00 0.00 179.25 181.56 2p78 h GLU 30 N 0.93 0.88 -0.71 0.00 4.57 -1.92 -1.85 114.58 116.49 2p78 h GLU 30 Ca 0.22 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2p78 h GLU 30 Cb 0.15 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2p78 h GLU 30 CO -0.02 0.97 0.42 0.78 -1.18 0.00 0.00 179.01 179.98 2p78 h GLY 31 N 0.96 1.02 1.08 1.92 0.00 -1.46 -0.07 103.07 106.52 2p78 h GLY 31 Ca 0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2p78 h GLY 31 CO 0.05 0.40 -0.21 0.83 0.00 0.00 0.00 176.54 177.61 2p78 h GLU 32 N 0.97 0.93 -0.66 4.80 5.08 -0.83 -2.08 114.58 122.79 2p78 h GLU 32 Ca 0.25 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2p78 h GLU 32 Cb -0.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2p78 h GLU 32 CO -0.05 1.07 0.39 0.00 -1.00 0.00 0.00 179.01 179.42 2p78 h ALA 33 N 0.84 0.84 -0.87 3.43 0.00 -0.59 -0.79 119.26 122.12 2p78 h ALA 33 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2p78 h ALA 33 Cb 0.78 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2p78 h ALA 33 CO 0.06 0.33 0.57 1.96 0.00 0.00 0.00 179.25 182.18 2p78 h GLN 34 N 0.90 1.15 -0.46 0.00 4.20 -0.87 -1.08 115.11 118.94 2p78 h GLN 34 Ca 0.24 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2p78 h GLN 34 Cb -0.01 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 2p78 h GLN 34 CO -0.04 0.76 0.18 0.00 -0.67 0.00 0.00 178.83 179.06 2p78 h ALA 35 N 1.32 0.60 -0.31 3.87 0.00 -0.73 -2.58 119.26 121.43 2p78 h ALA 35 Ca 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2p78 h ALA 35 Cb -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2p78 h ALA 35 CO -0.07 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 2p78 h ARG 36 N 0.60 0.49 0.00 0.00 3.08 -0.71 -2.28 114.38 115.57 2p78 h ARG 36 Ca 0.15 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2p78 h ARG 36 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2p78 h ARG 36 CO -0.01 0.54 -0.24 -0.09 -1.07 0.00 0.00 179.97 179.11 2p78 h ARG 37 N 0.47 0.00 0.00 0.04 2.43 -0.83 -2.17 114.38 114.32 2p78 h ARG 37 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2p78 h ARG 37 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2p78 h ARG 37 CO 0.01 0.24 0.00 -0.07 -1.51 0.00 0.00 179.97 178.64 2p78 h LEU 38 N 0.00 0.00 -1.56 3.80 3.38 -1.08 -3.11 115.31 116.74 2p78 h LEU 38 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2p78 h LEU 38 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2p78 h LEU 38 CO 0.03 0.00 0.37 0.50 0.09 0.00 0.00 178.44 179.43 2p78 h LYS 39 N 0.00 0.54 -0.65 1.13 3.64 -1.43 -1.16 116.57 118.64 2p78 h LYS 39 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2p78 h LYS 39 Cb 0.50 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2p78 h LYS 39 CO 0.00 0.36 0.00 0.41 -2.27 0.00 0.00 179.45 177.95 2p78 n GLY 40 N -1.48 2.09 0.00 5.01 0.00 -1.17 -4.37 105.19 105.25 2p78 n GLY 40 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2p78 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p78 n ALA 41 N 0.58 1.89 -1.87 4.61 0.00 -0.52 -5.08 120.51 120.13 2p78 n ALA 41 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 2p78 n ALA 41 Cb 0.72 0.22 -0.05 0.00 0.00 0.00 0.00 19.45 20.35 2p78 n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p78 s LEU 42 N -3.67 4.57 0.51 0.00 1.43 -0.75 -5.02 118.68 115.75 2p78 s LEU 42 Ca 0.00 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 54.99 2p78 s LEU 42 Cb 0.00 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 2p78 s LEU 42 CO 0.00 -0.06 1.08 -2.16 0.23 0.00 0.00 176.35 175.44 2p78 s PRO 43 N -1.00 3.59 -1.43 1.29 0.04 -1.26 -4.92 135.00 131.32 2p78 s PRO 43 Ca 0.45 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 2p78 s PRO 43 Cb -0.29 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.22 2p78 s PRO 43 CO 0.36 -0.63 2.26 -1.13 0.04 0.00 0.00 177.00 177.91 2p78 n SER 44 N -1.12 4.14 -4.99 6.66 3.41 -1.26 -4.92 113.62 115.53 2p78 n SER 44 Ca 0.10 -2.81 -0.18 0.00 -0.26 0.00 0.00 58.87 55.73 2p78 n SER 44 Cb 0.52 -1.62 0.01 0.00 -0.26 0.00 0.00 64.21 62.86 2p78 n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p78 s LEU 45 N 1.98 3.54 0.29 1.04 1.43 -1.26 -5.04 118.68 120.66 2p78 s LEU 45 Ca 0.49 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2p78 s LEU 45 Cb 0.14 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.82 2p78 s LEU 45 CO -0.08 -0.83 1.50 -2.65 0.23 0.00 0.00 176.35 174.53 2p78 n PRO 46 N -1.86 2.44 -4.36 1.29 -0.02 -1.26 -4.59 135.00 126.65 2p78 n PRO 46 Ca 0.08 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 62.10 2p78 n PRO 46 Cb 0.60 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 2p78 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p78 s ALA 47 N -0.24 3.19 0.07 3.55 0.00 -1.26 -1.08 121.76 125.99 2p78 s ALA 47 Ca 0.63 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2p78 s ALA 47 Cb -0.55 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2p78 s ALA 47 CO 0.52 0.63 -0.09 -0.06 0.00 0.00 0.00 175.76 176.75 2p78 s PHE 48 N -1.03 0.91 0.00 0.00 0.08 -0.47 -1.24 117.98 116.22 2p78 s PHE 48 Ca 0.18 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.43 2p78 s PHE 48 Cb -0.11 -0.52 0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2p78 s PHE 48 CO 0.08 -0.04 0.46 0.45 -0.10 0.00 0.00 175.22 176.07 2p78 s SER 49 N -2.05 -0.37 0.63 1.36 0.15 -0.35 -0.65 113.70 112.42 2p78 s SER 49 Ca -0.01 0.23 -0.18 0.00 0.70 0.00 0.00 55.95 56.68 2p78 s SER 49 Cb -0.06 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2p78 s SER 49 CO -0.00 -0.59 1.25 -0.55 1.20 0.00 0.00 173.24 174.55 2p78 s SER 50 N -1.58 4.85 0.00 5.45 0.15 -0.41 -1.09 113.70 121.07 2p78 s SER 50 Ca -0.09 2.49 0.31 0.00 0.70 0.00 0.00 55.95 59.35 2p78 s SER 50 Cb -0.02 -2.61 1.62 0.00 -1.71 0.00 0.00 66.02 63.30 2p78 s SER 50 CO 0.03 -1.83 2.09 -0.90 1.20 0.00 0.00 173.24 173.83 2p78 n ASP 51 N -1.82 0.12 -4.77 5.45 5.75 -1.25 -3.94 116.55 116.10 2p78 n ASP 51 Ca 0.15 -0.60 -0.39 0.00 -0.01 0.00 0.00 54.79 53.94 2p78 n ASP 51 Cb 0.49 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 2p78 n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p78 s LEU 52 N -2.31 4.29 0.21 -2.12 1.43 -1.26 -4.81 118.68 114.11 2p78 s LEU 52 Ca 0.37 2.42 -0.16 0.00 -1.03 0.00 0.00 54.13 55.73 2p78 s LEU 52 Cb 0.21 -3.89 0.23 0.00 0.03 0.00 0.00 46.19 42.77 2p78 s LEU 52 CO 0.42 -0.59 1.59 0.25 0.23 0.00 0.00 176.35 178.26 2p78 h LEU 53 N 2.94 -0.94 -1.62 1.79 5.85 -1.88 -1.43 115.31 120.02 2p78 h LEU 53 Ca -0.49 0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2p78 h LEU 53 Cb 1.23 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 2p78 h LEU 53 CO 0.64 -0.27 0.34 0.08 -0.34 0.00 0.00 178.44 178.88 2p78 h ARG 54 N -0.06 0.46 0.00 1.25 0.11 -1.91 0.11 114.38 114.34 2p78 h ARG 54 Ca 0.31 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.34 2p78 h ARG 54 Cb 0.56 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2p78 h ARG 54 CO -0.76 0.31 -0.08 0.00 0.10 0.00 0.00 179.97 179.54 2p78 h ALA 55 N 1.72 0.00 -0.64 0.08 0.00 -1.59 -2.49 119.26 116.35 2p78 h ALA 55 Ca 0.22 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2p78 h ALA 55 Cb 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2p78 h ALA 55 CO -0.06 -0.02 0.34 0.00 0.00 0.00 0.00 179.25 179.51 2p78 h ARG 56 N -0.75 0.62 -0.36 0.00 3.08 -0.95 -0.98 114.38 115.04 2p78 h ARG 56 Ca -0.01 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2p78 h ARG 56 Cb 0.91 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 2p78 h ARG 56 CO 0.02 0.41 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.09 2p78 h ARG 57 N 0.64 0.64 -0.45 0.04 9.65 -0.88 -1.22 114.38 122.79 2p78 h ARG 57 Ca 0.29 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 2p78 h ARG 57 Cb 0.20 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2p78 h ARG 57 CO -0.19 0.77 0.08 1.15 2.80 0.00 0.00 179.97 184.58 2p78 h THR 58 N 0.58 1.24 -0.44 0.20 2.02 -0.90 -1.12 112.91 114.49 2p78 h THR 58 Ca 0.10 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.41 2p78 h THR 58 Cb 0.58 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2p78 h THR 58 CO 0.04 0.31 0.28 0.00 0.37 0.00 0.00 175.52 176.52 2p78 h ALA 59 N 0.95 0.56 -0.07 6.16 0.00 -0.83 -0.47 119.26 125.57 2p78 h ALA 59 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2p78 h ALA 59 Cb 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2p78 h ALA 59 CO 0.01 -0.02 0.02 1.49 0.00 0.00 0.00 179.25 180.75 2p78 h GLU 60 N 0.57 0.11 0.00 0.00 4.81 -1.08 -0.02 114.58 118.97 2p78 h GLU 60 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2p78 h GLU 60 Cb -0.03 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2p78 h GLU 60 CO -0.06 0.27 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.31 2p78 h LEU 61 N -0.07 0.00 -0.12 1.64 3.38 -1.05 -0.79 115.31 118.31 2p78 h LEU 61 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2p78 h LEU 61 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2p78 h LEU 61 CO -0.00 0.12 -0.03 0.00 0.09 0.00 0.00 178.44 178.62 2p78 n ALA 62 N -2.31 2.63 -0.32 1.53 0.00 -0.20 -4.14 120.51 117.69 2p78 n ALA 62 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2p78 n ALA 62 Cb 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2p78 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p78 n GLY 63 N 1.19 0.80 3.63 0.00 0.00 -0.30 -4.01 105.19 106.51 2p78 n GLY 63 Ca 0.17 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2p78 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p78 s PHE 64 N -2.00 2.57 -0.45 1.61 0.08 -0.05 -5.02 117.98 114.73 2p78 s PHE 64 Ca 0.00 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.68 2p78 s PHE 64 Cb 0.00 -1.42 0.13 0.00 -0.57 0.00 0.00 43.02 41.16 2p78 s PHE 64 CO 0.00 0.50 0.23 0.45 -0.10 0.00 0.00 175.22 176.30 2p78 s SER 65 N -3.71 3.82 0.34 1.36 0.15 -1.26 -3.81 113.70 110.58 2p78 s SER 65 Ca 0.34 -2.65 -0.21 0.00 0.70 0.00 0.00 55.95 54.13 2p78 s SER 65 Cb -0.02 -1.16 -0.10 0.00 -1.71 0.00 0.00 66.02 63.04 2p78 s SER 65 CO 0.19 -0.27 0.87 -2.16 1.20 0.00 0.00 173.24 173.07 2p78 s PRO 66 N 0.29 4.31 -0.01 5.44 0.04 -1.26 -4.66 135.00 139.14 2p78 s PRO 66 Ca 0.17 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2p78 s PRO 66 Cb -0.24 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 2p78 s PRO 66 CO -0.01 0.18 1.11 1.03 0.04 0.00 0.00 177.00 179.35 2p78 s ARG 67 N -2.57 4.45 0.06 4.56 0.52 -0.38 -4.81 118.95 120.79 2p78 s ARG 67 Ca 0.53 1.58 -0.22 0.00 -0.52 0.00 0.00 55.73 57.11 2p78 s ARG 67 Cb -0.14 -3.47 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 2p78 s ARG 67 CO 0.19 -0.26 0.64 -0.51 0.02 0.00 0.00 175.30 175.38 2p78 s LEU 68 N 1.50 4.50 -0.10 2.53 1.43 -1.26 -1.21 118.68 126.07 2p78 s LEU 68 Ca 0.54 1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2p78 s LEU 68 Cb -0.24 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.01 2p78 s LEU 68 CO 0.25 0.18 0.15 -0.31 0.23 0.00 0.00 176.35 176.85 2p78 s TYR 69 N -0.71 -0.13 0.36 0.29 2.02 -0.25 -4.94 117.35 114.00 2p78 s TYR 69 Ca 0.32 0.46 0.38 0.00 -0.37 0.00 0.00 57.07 57.87 2p78 s TYR 69 Cb -0.20 -0.33 1.95 0.00 -0.40 0.00 0.00 41.96 42.98 2p78 s TYR 69 CO 0.20 -0.31 2.16 -1.35 -1.57 0.00 0.00 175.55 174.68 2p78 h PRO 70 N 8.37 0.00 0.00 -1.71 0.11 -1.94 -1.46 132.00 135.37 2p78 h PRO 70 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2p78 h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2p78 h PRO 70 CO 0.17 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.89 2p78 h GLU 71 N 0.00 0.00 -0.22 1.05 3.07 -1.94 -1.26 114.58 115.29 2p78 h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p78 h GLU 71 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2p78 h GLU 71 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2p78 n LEU 72 N -2.88 2.17 -4.75 1.33 4.77 -0.55 -4.33 117.00 112.77 2p78 n LEU 72 Ca -0.02 -0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 54.73 2p78 n LEU 72 Cb 0.13 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2p78 n LEU 72 CO 0.20 0.45 0.75 -0.13 -1.33 0.00 0.00 177.39 177.33 2p78 s ARG 73 N -1.72 2.36 1.00 3.23 0.52 -0.48 -4.34 118.95 119.51 2p78 s ARG 73 Ca 0.34 1.49 -0.12 0.00 -0.52 0.00 0.00 55.73 56.92 2p78 s ARG 73 Cb 0.19 -1.89 0.19 0.00 0.52 0.00 0.00 34.95 33.96 2p78 s ARG 73 CO 0.28 -1.61 1.08 -2.00 0.02 0.00 0.00 175.30 173.07 2p78 s GLU 74 N -4.19 0.43 0.55 3.54 2.56 -1.26 -4.86 118.70 115.47 2p78 s GLU 74 Ca 0.68 0.93 -0.21 0.00 0.00 0.00 0.00 54.97 56.37 2p78 s GLU 74 Cb -0.23 -1.70 -0.05 0.00 2.00 0.00 0.00 34.13 34.15 2p78 s GLU 74 CO 0.46 -2.84 1.30 -1.50 -0.56 0.00 0.00 175.26 172.12 2p78 s ILE 75 N -2.73 2.32 -0.37 -3.70 2.07 -1.26 -4.74 121.20 112.78 2p78 s ILE 75 Ca 0.66 0.23 -0.25 0.00 -1.41 0.00 0.00 60.65 59.88 2p78 s ILE 75 Cb -0.21 -3.11 0.01 0.00 0.13 0.00 0.00 42.46 39.28 2p78 s ILE 75 CO 0.60 -0.01 0.86 -2.28 -1.91 0.00 0.00 174.94 172.19 2p78 s HIS 76 N -1.39 3.08 -1.72 3.50 5.65 -1.26 -4.19 115.29 118.95 2p78 s HIS 76 Ca 0.72 0.63 0.31 0.00 0.25 0.00 0.00 55.06 56.98 2p78 s HIS 76 Cb -0.37 -3.56 1.66 0.00 -1.18 0.00 0.00 32.58 29.13 2p78 s HIS 76 CO 0.42 -0.81 2.11 1.19 -0.65 0.00 0.00 174.74 177.01 2p78 n PHE 77 N 6.64 0.00 -0.31 3.88 3.72 -1.26 -1.06 117.46 129.07 2p78 n PHE 77 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2p78 n PHE 77 Cb 0.48 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2p78 n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p78 n GLY 78 N 1.16 3.24 0.00 1.37 0.00 -1.26 -0.69 105.19 109.01 2p78 n GLY 78 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2p78 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p78 n ALA 79 N 10.29 1.57 0.99 4.61 0.00 0.12 -1.96 120.51 136.13 2p78 n ALA 79 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2p78 n ALA 79 Cb 0.00 -1.16 0.25 0.00 0.00 0.00 0.00 19.45 18.54 2p78 n ALA 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2p78 n MET 80 N -1.35 2.15 -1.71 0.00 2.00 0.14 -4.91 117.12 113.43 2p78 n MET 80 Ca 0.04 -1.69 -0.43 0.00 0.00 0.00 0.00 57.70 55.62 2p78 n MET 80 Cb 0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 33.22 31.82 2p78 n MET 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2p78 n GLU 81 N 1.00 2.36 -0.48 0.03 -0.58 -0.83 -1.59 120.64 120.55 2p78 n GLU 81 Ca 0.17 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 2p78 n GLU 81 Cb 0.52 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.86 2p78 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p78 n GLY 82 N 1.69 1.99 3.76 0.62 0.00 0.16 -4.94 105.19 108.46 2p78 n GLY 82 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2p78 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p78 s ALA 83 N -3.46 3.52 0.12 4.61 0.00 -0.62 -4.47 121.76 121.46 2p78 s ALA 83 Ca 0.00 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 2p78 s ALA 83 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 2p78 s ALA 83 CO 0.00 -0.62 1.36 -0.51 0.00 0.00 0.00 175.76 176.00 2p78 s LEU 84 N -1.20 4.38 0.30 0.00 1.43 -1.26 -0.35 118.68 121.97 2p78 s LEU 84 Ca 0.52 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 2p78 s LEU 84 Cb -0.39 -3.59 0.57 0.00 0.03 0.00 0.00 46.19 42.81 2p78 s LEU 84 CO 0.48 -0.62 1.86 -0.25 0.23 0.00 0.00 176.35 178.05 2p78 h TRP 85 N 6.62 1.08 0.00 0.29 2.91 -1.28 -0.85 115.95 124.73 2p78 h TRP 85 Ca -0.42 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.60 2p78 h TRP 85 Cb 1.21 -0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 29.51 2p78 h TRP 85 CO 0.65 0.47 -0.11 1.49 -1.03 0.00 0.00 178.44 179.92 2p78 h GLU 86 N 0.98 0.00 -0.00 2.65 4.81 -1.91 -2.71 114.58 118.40 2p78 h GLU 86 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2p78 h GLU 86 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2p78 h GLU 86 CO -0.22 0.11 -0.50 0.25 -0.73 0.00 0.00 179.01 177.92 2p78 n THR 87 N -4.15 0.00 -1.71 0.32 -2.24 -0.35 -4.95 114.28 101.20 2p78 n THR 87 Ca -0.03 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 2p78 n THR 87 Cb 0.19 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 2p78 n THR 87 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2p78 n LEU 88 N -1.09 3.75 -4.78 3.22 4.77 -1.02 -4.92 117.00 116.92 2p78 n LEU 88 Ca 0.08 1.12 -0.41 0.00 -0.03 0.00 0.00 56.01 56.77 2p78 n LEU 88 Cb 0.35 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2p78 n LEU 88 CO 0.33 -0.10 1.13 -0.62 -1.33 0.00 0.00 177.39 176.79 2p78 s ASP 89 N 0.59 6.23 0.36 -1.43 2.15 -1.26 -4.69 116.67 118.62 2p78 s ASP 89 Ca 0.69 3.04 0.17 0.00 0.43 0.00 0.00 52.55 56.88 2p78 s ASP 89 Cb -0.57 -2.67 1.14 0.00 -0.30 0.00 0.00 42.92 40.53 2p78 s ASP 89 CO 0.45 -0.95 1.67 -0.65 -0.17 0.00 0.00 175.17 175.52 2p78 h PRO 90 N 2.85 0.29 0.00 4.34 0.11 -1.99 0.40 132.00 138.00 2p78 h PRO 90 Ca -0.51 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2p78 h PRO 90 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2p78 h PRO 90 CO 0.63 0.19 -0.00 0.07 -0.21 0.00 0.00 178.00 178.69 2p78 h ARG 91 N 0.30 0.00 0.02 1.05 0.11 -1.99 0.22 114.38 114.09 2p78 h ARG 91 Ca 0.73 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.77 2p78 h ARG 91 Cb 1.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.87 2p78 h ARG 91 CO -0.54 0.00 -0.17 1.88 0.10 0.00 0.00 179.97 181.24 2p78 h TYR 92 N 0.00 0.13 -0.21 4.08 0.05 -0.58 -2.93 116.97 117.52 2p78 h TYR 92 Ca -0.00 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.75 2p78 h TYR 92 Cb 0.65 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 2p78 h TYR 92 CO 0.00 0.99 -0.14 0.87 -1.05 0.00 0.00 178.16 178.83 2p78 h LYS 93 N -0.76 -0.13 -0.85 4.88 1.57 -1.11 0.10 116.57 120.26 2p78 h LYS 93 Ca -0.03 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2p78 h LYS 93 Cb 1.05 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 2p78 h LYS 93 CO 0.03 -0.09 0.53 0.93 -0.57 0.00 0.00 179.45 180.28 2p78 h GLU 94 N -0.14 0.96 -0.18 3.15 5.08 -0.71 0.24 114.58 122.97 2p78 h GLU 94 Ca 0.12 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2p78 h GLU 94 Cb 0.32 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2p78 h GLU 94 CO -0.29 0.63 0.05 0.00 -1.00 0.00 0.00 179.01 178.40 2p78 h ALA 95 N 1.39 0.24 -0.43 3.43 0.00 -1.23 -0.56 119.26 122.09 2p78 h ALA 95 Ca 0.36 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2p78 h ALA 95 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2p78 h ALA 95 CO -0.16 -0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 178.82 2p78 h LEU 96 N 0.11 0.74 -0.41 0.00 3.38 -0.67 0.24 115.31 118.69 2p78 h LEU 96 Ca 0.06 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2p78 h LEU 96 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2p78 h LEU 96 CO 0.00 0.86 -0.12 -0.07 0.09 0.00 0.00 178.44 179.21 2p78 h LEU 97 N 0.69 0.82 -0.03 1.67 3.38 -0.38 -2.59 115.31 118.87 2p78 h LEU 97 Ca 0.12 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2p78 h LEU 97 Cb 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2p78 h LEU 97 CO 0.03 1.00 -0.13 -2.11 0.09 0.00 0.00 178.44 177.33 2p78 n ARG 98 N -4.30 0.11 -3.26 1.13 1.85 -0.23 -4.94 116.66 107.02 2p78 n ARG 98 Ca -0.01 -0.03 -0.16 0.00 -1.00 0.00 0.00 57.85 56.65 2p78 n ARG 98 Cb 0.38 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.35 2p78 n ARG 98 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2p78 n PHE 99 N -1.42 -2.03 -3.60 2.89 7.35 0.71 -5.03 117.46 116.33 2p78 n PHE 99 Ca 0.08 0.78 -0.11 0.00 -0.76 0.00 0.00 57.45 57.44 2p78 n PHE 99 Cb 0.32 -4.32 -0.06 0.00 0.35 0.00 0.00 39.48 35.77 2p78 n PHE 99 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2p78 s GLN 100 N -5.59 0.63 -0.21 -4.13 0.74 -0.40 -4.99 119.66 105.72 2p78 s GLN 100 Ca 0.25 0.42 -0.01 0.00 0.05 0.00 0.00 55.36 56.06 2p78 s GLN 100 Cb -0.11 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.31 2p78 s GLN 100 CO 0.58 -0.14 0.18 0.41 -0.55 0.00 0.00 175.29 175.76 2p78 n GLY 101 N 1.52 0.68 2.89 2.59 0.00 -1.26 -4.54 105.19 107.07 2p78 n GLY 101 Ca -0.12 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 2p78 n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p78 s PHE 102 N -3.05 1.62 -0.38 1.61 5.36 -1.26 -4.82 117.98 117.05 2p78 s PHE 102 Ca 0.08 -0.97 0.03 0.00 -0.96 0.00 0.00 56.93 55.11 2p78 s PHE 102 Cb -0.04 -1.28 0.15 0.00 -0.34 0.00 0.00 43.02 41.52 2p78 s PHE 102 CO 0.11 -0.58 0.34 -1.58 -1.46 0.00 0.00 175.22 172.05 2p78 s HIS 103 N 1.66 0.17 0.51 10.12 2.46 -1.26 -0.95 115.29 128.01 2p78 s HIS 103 Ca 0.02 -1.31 -0.22 0.00 0.47 0.00 0.00 55.06 54.02 2p78 s HIS 103 Cb -0.14 -0.61 -0.06 0.00 -0.13 0.00 0.00 32.58 31.64 2p78 s HIS 103 CO -0.08 -0.92 1.24 -1.25 -2.47 0.00 0.00 174.74 171.26 2p78 s PRO 104 N 1.06 3.42 0.25 2.88 0.04 -1.26 -4.94 135.00 136.46 2p78 s PRO 104 Ca 0.21 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 2p78 s PRO 104 Cb -0.14 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 32.00 2p78 s PRO 104 CO -0.04 -0.88 1.60 -2.30 0.04 0.00 0.00 177.00 175.42 2p78 n PRO 105 N -0.85 2.57 -0.90 0.56 -0.02 -1.26 -1.18 135.00 133.91 2p78 n PRO 105 Ca 0.09 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2p78 n PRO 105 Cb 0.47 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2p78 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p78 n GLY 106 N 2.68 0.57 0.00 -1.23 0.00 -1.26 0.12 105.19 106.07 2p78 n GLY 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2p78 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p78 n GLY 107 N -1.93 6.63 3.75 -0.02 0.00 -0.33 -4.21 105.19 109.08 2p78 n GLY 107 Ca 0.00 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 2p78 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p78 s GLU 108 N 1.45 2.73 0.42 1.61 2.02 -0.22 -4.83 118.70 121.88 2p78 s GLU 108 Ca 0.00 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 2p78 s GLU 108 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 2p78 s GLU 108 CO 0.00 0.50 0.80 -1.54 0.02 0.00 0.00 175.26 175.04 2p78 s SER 109 N -2.84 6.54 0.42 -0.19 1.04 -1.26 -4.11 113.70 113.29 2p78 s SER 109 Ca 0.29 1.20 0.09 0.00 0.48 0.00 0.00 55.95 58.01 2p78 s SER 109 Cb -0.10 -2.35 0.89 0.00 0.10 0.00 0.00 66.02 64.55 2p78 s SER 109 CO 0.21 -0.43 2.02 -0.07 0.98 0.00 0.00 173.24 175.95 2p78 h LEU 110 N 1.21 0.31 -0.61 2.42 3.38 -1.46 -0.60 115.31 119.96 2p78 h LEU 110 Ca -0.47 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.33 2p78 h LEU 110 Cb 1.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2p78 h LEU 110 CO 0.63 0.31 -0.48 0.77 0.09 0.00 0.00 178.44 179.76 2p78 h SER 111 N 0.35 0.57 0.23 -0.43 4.64 -1.93 -1.04 113.55 115.94 2p78 h SER 111 Ca 0.09 -0.28 -0.17 0.00 -0.47 0.00 0.00 61.79 60.95 2p78 h SER 111 Cb 0.12 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2p78 h SER 111 CO -0.01 0.96 -0.68 0.00 -0.87 0.00 0.00 176.83 176.24 2p78 h ALA 112 N 1.06 0.65 -0.06 5.18 0.00 -1.79 -2.18 119.26 122.11 2p78 h ALA 112 Ca 0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2p78 h ALA 112 Cb 1.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2p78 h ALA 112 CO 0.09 0.74 0.03 0.35 0.00 0.00 0.00 179.25 180.46 2p78 h PHE 113 N 0.29 0.09 -0.59 0.00 3.57 -0.92 -2.19 116.94 117.18 2p78 h PHE 113 Ca -0.02 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 2p78 h PHE 113 Cb 1.24 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 2p78 h PHE 113 CO 0.04 0.19 0.13 1.96 -2.23 0.00 0.00 178.31 178.40 2p78 h GLN 114 N -0.03 0.93 -0.88 1.11 4.20 -1.17 -1.22 115.11 118.05 2p78 h GLN 114 Ca 0.02 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.53 2p78 h GLN 114 Cb 0.13 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2p78 h GLN 114 CO -0.00 0.84 0.58 1.49 -0.67 0.00 0.00 178.83 181.08 2p78 h GLU 115 N 0.89 1.16 -0.07 1.46 4.22 -1.22 0.47 114.58 121.49 2p78 h GLU 115 Ca 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 2p78 h GLU 115 Cb 0.34 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2p78 h GLU 115 CO 0.00 0.76 0.01 -0.09 -2.18 0.00 0.00 179.01 177.52 2p78 h ARG 116 N 1.19 0.11 -0.09 1.92 2.43 -0.97 -1.58 114.38 117.40 2p78 h ARG 116 Ca 0.32 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2p78 h ARG 116 Cb -0.13 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2p78 h ARG 116 CO -0.07 0.32 0.04 0.28 -1.51 0.00 0.00 179.97 179.03 2p78 h VAL 117 N -0.12 1.12 0.00 0.20 2.07 -0.85 -2.50 116.25 116.17 2p78 h VAL 117 Ca 0.02 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 2p78 h VAL 117 Cb 0.26 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2p78 h VAL 117 CO 0.00 0.10 -0.41 -0.26 0.02 0.00 0.00 177.57 177.03 2p78 h PHE 118 N 0.01 0.00 -0.55 1.57 0.04 -0.96 -1.56 116.94 115.50 2p78 h PHE 118 Ca 0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2p78 h PHE 118 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2p78 h PHE 118 CO -0.03 0.41 0.06 -0.09 -0.60 0.00 0.00 178.31 178.06 2p78 h ARG 119 N 0.00 0.93 -0.13 1.51 2.43 -1.17 -1.12 114.38 116.82 2p78 h ARG 119 Ca -0.00 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2p78 h ARG 119 Cb 0.86 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2p78 h ARG 119 CO 0.05 0.91 0.04 0.35 -1.51 0.00 0.00 179.97 179.81 2p78 h PHE 120 N 0.81 0.22 -0.93 2.20 3.57 -1.07 -2.53 116.94 119.22 2p78 h PHE 120 Ca 0.16 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2p78 h PHE 120 Cb 0.45 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2p78 h PHE 120 CO 0.03 0.34 0.60 -0.07 -2.23 0.00 0.00 178.31 176.99 2p78 h LEU 121 N 0.03 1.00 -1.47 0.59 3.38 -1.09 -1.33 115.31 116.42 2p78 h LEU 121 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2p78 h LEU 121 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2p78 h LEU 121 CO -0.00 0.68 -0.04 -0.33 0.09 0.00 0.00 178.44 178.84 2p78 h GLU 122 N 1.16 0.00 0.00 1.13 4.39 -1.12 -2.60 114.58 117.54 2p78 h GLU 122 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2p78 h GLU 122 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2p78 h GLU 122 CO -0.13 0.04 -0.18 0.41 -1.16 0.00 0.00 179.01 178.00 2p78 n GLY 123 N -0.01 -1.57 3.77 -3.84 0.00 -0.52 -4.87 105.19 98.15 2p78 n GLY 123 Ca 0.00 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2p78 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p78 s LEU 124 N -4.08 4.32 0.00 0.99 1.43 -0.98 -4.94 118.68 115.42 2p78 s LEU 124 Ca 0.10 2.75 0.03 0.00 -1.03 0.00 0.00 54.13 55.98 2p78 s LEU 124 Cb 0.14 -3.76 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2p78 s LEU 124 CO 0.62 -0.74 0.94 0.29 0.23 0.00 0.00 176.35 177.69 2p78 n LYS 125 N 0.45 2.04 -3.50 1.70 5.02 -1.26 -5.04 118.16 117.57 2p78 n LYS 125 Ca 0.02 -1.39 -0.09 0.00 -2.02 0.00 0.00 58.31 54.82 2p78 n LYS 125 Cb 0.42 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 2p78 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p78 s ALA 126 N -0.80 -1.71 0.58 7.82 0.00 -1.26 -5.15 121.76 121.24 2p78 s ALA 126 Ca 0.05 0.71 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 2p78 s ALA 126 Cb 0.03 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 2p78 s ALA 126 CO 0.04 -0.75 0.99 -2.30 0.00 0.00 0.00 175.76 173.74 2p78 n PRO 127 N -0.32 1.00 -3.74 0.00 -0.02 -1.26 -4.97 135.00 125.69 2p78 n PRO 127 Ca -0.12 0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 2p78 n PRO 127 Cb 0.63 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2p78 n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p78 s ALA 128 N -1.47 -1.07 -0.18 3.55 0.00 -0.91 -4.05 121.76 117.63 2p78 s ALA 128 Ca 0.74 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 2p78 s ALA 128 Cb -0.43 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2p78 s ALA 128 CO 0.48 -0.87 -0.03 0.08 0.00 0.00 0.00 175.76 175.43 2p78 s VAL 129 N -3.88 3.75 -0.27 0.00 1.01 -0.24 -0.90 120.40 119.88 2p78 s VAL 129 Ca 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2p78 s VAL 129 Cb -0.02 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2p78 s VAL 129 CO -0.01 0.46 -0.02 -0.76 0.00 0.00 0.00 175.10 174.77 2p78 s LEU 130 N 0.77 3.53 -0.37 3.92 1.43 0.16 -1.37 118.68 126.76 2p78 s LEU 130 Ca -0.01 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 51.87 2p78 s LEU 130 Cb -0.14 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2p78 s LEU 130 CO 0.02 -0.19 0.72 -0.36 0.23 0.00 0.00 176.35 176.77 2p78 s PHE 131 N 1.32 3.12 0.00 0.29 0.08 0.18 -0.78 117.98 122.18 2p78 s PHE 131 Ca -0.02 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.46 2p78 s PHE 131 Cb -0.18 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 2p78 s PHE 131 CO -0.02 -0.71 0.00 -2.37 -0.10 0.00 0.00 175.22 172.02 2p78 n THR 132 N 5.73 0.00 -4.43 0.64 5.66 0.20 -1.29 114.28 120.79 2p78 n THR 132 Ca 0.01 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.80 2p78 n THR 132 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 2p78 n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2p78 s HIS 133 N 0.90 1.98 0.22 1.09 3.76 -1.26 -2.16 115.29 119.82 2p78 s HIS 133 Ca 0.00 -0.69 -0.08 0.00 -0.15 0.00 0.00 55.06 54.14 2p78 s HIS 133 Cb 0.00 -1.13 0.34 0.00 1.11 0.00 0.00 32.58 32.90 2p78 s HIS 133 CO 0.00 0.29 1.71 0.78 -0.85 0.00 0.00 174.74 176.68 2p78 h GLY 134 N 2.26 0.88 1.58 -2.22 0.00 -1.92 -0.88 103.07 102.78 2p78 h GLY 134 Ca -0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 2p78 h GLY 134 CO 0.67 -0.10 -0.00 -1.33 0.00 0.00 0.00 176.54 175.77 2p78 h GLY 135 N 0.32 0.56 0.72 4.60 0.00 -1.96 0.03 103.07 107.35 2p78 h GLY 135 Ca 0.34 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 2p78 h GLY 135 CO -0.40 0.31 -0.21 -2.08 0.00 0.00 0.00 176.54 174.16 2p78 h VAL 136 N 0.50 1.38 -0.85 4.60 2.07 -1.64 -1.56 116.25 120.75 2p78 h VAL 136 Ca 0.11 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 2p78 h VAL 136 Cb 0.33 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2p78 h VAL 136 CO 0.01 0.43 0.47 0.58 0.02 0.00 0.00 177.57 179.08 2p78 h VAL 137 N -0.06 1.25 -0.35 2.57 2.07 -0.99 -1.98 116.25 118.75 2p78 h VAL 137 Ca 0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2p78 h VAL 137 Cb 0.79 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2p78 h VAL 137 CO 0.05 0.28 0.19 -0.09 0.02 0.00 0.00 177.57 178.01 2p78 h ARG 138 N 1.19 0.50 -0.80 1.57 2.43 -0.89 -1.16 114.38 117.21 2p78 h ARG 138 Ca 0.30 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2p78 h ARG 138 Cb 0.02 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2p78 h ARG 138 CO -0.05 0.42 0.53 0.00 -1.51 0.00 0.00 179.97 179.36 2p78 h ALA 139 N 1.05 1.02 -0.19 2.80 0.00 -0.93 0.03 119.26 123.04 2p78 h ALA 139 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2p78 h ALA 139 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2p78 h ALA 139 CO -0.02 0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.89 2p78 h VAL 140 N 1.08 1.29 -0.61 0.00 2.07 -1.14 -1.18 116.25 117.76 2p78 h VAL 140 Ca 0.30 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2p78 h VAL 140 Cb -0.12 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2p78 h VAL 140 CO -0.07 0.31 0.39 -0.07 0.02 0.00 0.00 177.57 178.15 2p78 h LEU 141 N 0.07 0.70 -1.16 2.57 3.38 -0.99 -1.98 115.31 117.90 2p78 h LEU 141 Ca 0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2p78 h LEU 141 Cb 0.49 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2p78 h LEU 141 CO 0.02 0.52 0.20 0.03 0.09 0.00 0.00 178.44 179.30 2p78 h ARG 142 N 0.82 0.79 0.00 1.13 3.08 -0.90 0.10 114.38 119.40 2p78 h ARG 142 Ca 0.22 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2p78 h ARG 142 Cb -0.08 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 2p78 h ARG 142 CO -0.05 0.66 -0.11 0.00 -1.07 0.00 0.00 179.97 179.41 2p78 h ALA 143 N 1.44 1.26 -0.41 0.04 0.00 -0.49 -0.32 119.26 120.79 2p78 h ALA 143 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2p78 h ALA 143 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2p78 h ALA 143 CO -0.01 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.65 2p78 n LEU 144 N -3.59 2.97 0.00 0.00 4.77 -0.51 -4.94 117.00 115.69 2p78 n LEU 144 Ca -0.02 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2p78 n LEU 144 Cb 0.23 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2p78 n LEU 144 CO 0.29 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 2p78 n GLY 145 N 1.40 0.38 3.62 -0.72 0.00 -0.13 -4.89 105.19 104.86 2p78 n GLY 145 Ca 0.19 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 2p78 n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p78 s GLU 146 N -2.41 2.00 0.07 1.61 0.41 0.25 -4.98 118.70 115.65 2p78 s GLU 146 Ca 0.00 -1.93 -0.31 0.00 -0.41 0.00 0.00 54.97 52.32 2p78 s GLU 146 Cb 0.00 -1.79 -0.08 0.00 -1.78 0.00 0.00 34.13 30.49 2p78 s GLU 146 CO 0.00 0.03 1.53 0.34 -0.49 0.00 0.00 175.26 176.68 2p78 s ASP 147 N -3.72 6.70 0.00 -0.19 2.15 -1.26 -3.20 116.67 117.15 2p78 s ASP 147 Ca 0.35 2.37 0.19 0.00 0.43 0.00 0.00 52.55 55.89 2p78 s ASP 147 Cb 0.05 -2.57 0.72 0.00 -0.30 0.00 0.00 42.92 40.82 2p78 s ASP 147 CO 0.19 -0.80 1.52 0.61 -0.17 0.00 0.00 175.17 176.52 2p78 n GLY 148 N 3.80 0.18 3.69 2.66 0.00 -1.26 -4.79 105.19 109.46 2p78 n GLY 148 Ca 0.14 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2p78 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p78 s LEU 149 N -1.49 4.23 -0.01 0.99 1.43 -1.26 -3.01 118.68 119.57 2p78 s LEU 149 Ca 0.30 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 2p78 s LEU 149 Cb 0.16 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2p78 s LEU 149 CO 0.24 -0.20 -0.02 0.68 0.23 0.00 0.00 176.35 177.27 2p78 s VAL 150 N 1.36 0.21 0.62 -1.59 -7.23 -1.26 -5.08 120.40 107.43 2p78 s VAL 150 Ca 0.34 -0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.23 2p78 s VAL 150 Cb -0.17 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 2p78 s VAL 150 CO 0.14 0.07 1.22 -2.16 -0.31 0.00 0.00 175.10 174.06 2p78 s PRO 151 N 0.07 2.83 0.42 4.82 0.05 -1.26 -4.94 135.00 136.99 2p78 s PRO 151 Ca -0.00 1.84 -0.26 0.00 0.05 0.00 0.00 61.00 62.62 2p78 s PRO 151 Cb -0.03 -1.91 -0.09 0.00 0.05 0.00 0.00 34.50 32.52 2p78 s PRO 151 CO -0.00 -1.32 1.45 -2.14 0.05 0.00 0.00 177.00 175.04 2p78 s PRO 152 N -3.42 3.84 0.00 0.56 0.02 -1.26 -1.81 135.00 132.93 2p78 s PRO 152 Ca 0.78 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.28 2p78 s PRO 152 Cb -0.31 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2p78 s PRO 152 CO 0.35 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 2p78 n GLY 153 N 0.53 0.76 3.88 0.52 0.00 -0.03 -4.78 105.19 106.07 2p78 n GLY 153 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2p78 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p78 s SER 154 N -2.53 4.62 0.13 1.61 1.04 -0.75 -4.79 113.70 113.02 2p78 s SER 154 Ca 0.00 -1.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.07 2p78 s SER 154 Cb 0.00 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2p78 s SER 154 CO 0.00 -1.03 0.34 0.00 0.98 0.00 0.00 173.24 173.53 2p78 s ALA 155 N -2.75 -0.62 -0.03 5.32 0.00 -0.93 -1.05 121.76 121.70 2p78 s ALA 155 Ca 0.34 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2p78 s ALA 155 Cb -0.02 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.80 2p78 s ALA 155 CO 0.21 -0.62 -0.01 0.08 0.00 0.00 0.00 175.76 175.41 2p78 s VAL 156 N -3.85 0.29 -0.13 0.00 1.01 -0.51 -0.12 120.40 117.10 2p78 s VAL 156 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2p78 s VAL 156 Cb 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 2p78 s VAL 156 CO -0.09 0.17 0.22 0.00 0.00 0.00 0.00 175.10 175.39 2p78 s ALA 157 N 0.96 3.73 0.06 5.51 0.00 0.11 -0.69 121.76 131.44 2p78 s ALA 157 Ca -0.11 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2p78 s ALA 157 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2p78 s ALA 157 CO -0.01 0.35 -0.15 0.14 0.00 0.00 0.00 175.76 176.09 2p78 s VAL 158 N -0.31 1.18 -1.15 0.00 -7.23 0.07 0.46 120.40 113.42 2p78 s VAL 158 Ca 0.15 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 2p78 s VAL 158 Cb -0.13 -1.09 0.19 0.00 0.56 0.00 0.00 36.38 35.91 2p78 s VAL 158 CO 0.04 -0.10 1.33 -0.62 -0.31 0.00 0.00 175.10 175.43 2p78 s ASP 159 N -1.48 7.06 0.21 4.85 2.15 0.26 -1.34 116.67 128.37 2p78 s ASP 159 Ca 0.00 -2.99 -0.30 0.00 0.43 0.00 0.00 52.55 49.69 2p78 s ASP 159 Cb -0.09 -2.36 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 2p78 s ASP 159 CO 0.02 -0.70 1.40 0.86 -0.17 0.00 0.00 175.17 176.58 2p78 s TRP 160 N 1.17 3.14 -0.48 -5.34 -0.11 -0.29 0.99 118.94 118.02 2p78 s TRP 160 Ca 0.39 1.06 0.03 0.00 1.22 0.00 0.00 56.10 58.80 2p78 s TRP 160 Cb -0.04 -3.73 0.48 0.00 -1.50 0.00 0.00 33.47 28.68 2p78 s TRP 160 CO -0.03 -2.41 1.68 -0.35 -4.62 0.00 0.00 176.95 171.23 2p78 n PRO 161 N 2.75 2.79 -0.08 5.86 -0.04 -1.26 -0.26 135.00 144.76 2p78 n PRO 161 Ca 0.08 -3.51 -0.12 0.00 -0.04 0.00 0.00 63.50 59.90 2p78 n PRO 161 Cb 0.41 -2.20 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 2p78 n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p78 h ARG 162 N 1.80 0.00 -2.73 0.54 3.08 0.23 -3.48 114.38 113.82 2p78 h ARG 162 Ca 0.48 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.62 2p78 h ARG 162 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 2p78 h ARG 162 CO 1.11 0.52 0.40 -0.98 -1.07 0.00 0.00 179.97 179.95 2p78 s ARG 163 N -2.23 1.69 0.05 0.04 1.70 -0.91 -5.01 118.95 114.28 2p78 s ARG 163 Ca -0.20 -1.04 -0.20 0.00 -0.47 0.00 0.00 55.73 53.82 2p78 s ARG 163 Cb 0.03 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.85 2p78 s ARG 163 CO 0.40 -0.79 0.59 0.08 -1.08 0.00 0.00 175.30 174.50 2p78 s VAL 164 N -2.70 4.79 -0.20 4.99 1.01 -1.26 0.90 120.40 127.93 2p78 s VAL 164 Ca 0.16 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 63.23 2p78 s VAL 164 Cb -0.04 -3.92 -0.20 0.00 0.00 0.00 0.00 36.38 32.22 2p78 s VAL 164 CO 0.07 0.50 0.18 0.18 0.00 0.00 0.00 175.10 176.03 2p78 n LEU 165 N 2.13 2.11 -3.58 3.92 4.77 0.17 -4.78 117.00 121.73 2p78 n LEU 165 Ca -0.09 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2p78 n LEU 165 Cb 0.51 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 2p78 n LEU 165 CO 0.42 0.48 0.85 0.54 -1.33 0.00 0.00 177.39 178.35 2p78 s VAL 166 N -2.43 0.00 -0.11 4.08 0.11 -1.04 -5.00 120.40 116.00 2p78 s VAL 166 Ca -0.28 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 2p78 s VAL 166 Cb 0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2p78 s VAL 166 CO 0.63 0.00 -0.01 -0.13 -3.33 0.00 0.00 175.10 172.26 2p78 s ARG 167 N -1.31 3.24 -0.74 1.54 0.52 -1.26 -0.71 118.95 120.22 2p78 s ARG 167 Ca 0.01 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 2p78 s ARG 167 Cb -0.01 -2.84 0.18 0.00 0.52 0.00 0.00 34.95 32.80 2p78 s ARG 167 CO -0.01 0.53 0.55 -1.17 0.02 0.00 0.00 175.30 175.23 2p78 s LEU 168 N -0.42 4.99 -0.31 2.53 2.96 0.83 -5.00 118.68 124.25 2p78 s LEU 168 Ca 0.07 -3.80 -0.14 0.00 -0.22 0.00 0.00 54.13 50.05 2p78 s LEU 168 Cb -0.12 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2p78 s LEU 168 CO 0.02 -0.11 0.31 0.00 -1.32 0.00 0.00 176.35 175.25 2p78 s ALA 169 N -1.39 3.52 -2.99 5.97 0.00 -1.26 -2.19 121.76 123.41 2p78 s ALA 169 Ca 0.25 -1.12 0.24 0.00 0.00 0.00 0.00 51.96 51.33 2p78 s ALA 169 Cb -0.06 -2.71 0.21 0.00 0.00 0.00 0.00 23.12 20.56 2p78 s ALA 169 CO -0.15 -0.86 1.27 1.28 0.00 0.00 0.00 175.76 177.30