#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 4.10 -0.02 2.12 2.12 -1.26 -1.28 118.70 124.48 2p78 s GLU 2 Ca 0.00 2.10 0.02 0.00 0.36 0.00 0.00 54.97 57.45 2p78 s GLU 2 Cb 0.00 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2p78 s GLU 2 CO 0.00 -0.94 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.18 2p78 s LEU 3 N 4.31 1.80 -0.31 2.70 1.43 -0.42 -2.92 118.68 125.27 2p78 s LEU 3 Ca 0.73 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 2p78 s LEU 3 Cb -0.32 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2p78 s LEU 3 CO 0.29 0.07 0.10 0.26 0.23 0.00 0.00 176.35 177.30 2p78 s TRP 4 N 0.17 3.17 -0.23 0.29 0.52 -0.43 -0.75 118.94 121.69 2p78 s TRP 4 Ca -0.03 -1.02 -0.11 0.00 0.02 0.00 0.00 56.10 54.96 2p78 s TRP 4 Cb -0.08 -2.28 -0.05 0.00 -1.15 0.00 0.00 33.47 29.91 2p78 s TRP 4 CO 0.00 -0.60 0.18 -0.51 0.02 0.00 0.00 176.95 176.05 2p78 s LEU 5 N 1.49 4.14 -0.17 2.99 1.02 0.24 0.69 118.68 129.08 2p78 s LEU 5 Ca 0.02 0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.33 2p78 s LEU 5 Cb -0.18 -2.15 -0.01 0.00 0.02 0.00 0.00 46.19 43.87 2p78 s LEU 5 CO 0.03 0.07 -0.08 -0.69 0.02 0.00 0.00 176.35 175.70 2p78 s VAL 6 N 0.97 3.30 -0.11 -1.59 1.01 0.31 -0.78 120.40 123.51 2p78 s VAL 6 Ca 0.09 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 2p78 s VAL 6 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2p78 s VAL 6 CO 0.04 0.48 0.74 -0.60 0.00 0.00 0.00 175.10 175.76 2p78 s ARG 7 N 0.79 4.38 0.90 2.72 3.52 -0.39 -0.51 118.95 130.35 2p78 s ARG 7 Ca -0.03 0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 56.36 2p78 s ARG 7 Cb -0.15 -3.50 0.11 0.00 -1.56 0.00 0.00 34.95 29.86 2p78 s ARG 7 CO 0.01 -0.08 1.03 -2.39 -0.81 0.00 0.00 175.30 173.06 2p78 n HIS 8 N 4.34 0.56 -0.59 5.12 1.44 -0.80 -0.84 115.22 124.44 2p78 n HIS 8 Ca 0.01 0.37 -0.28 0.00 -2.01 0.00 0.00 57.72 55.81 2p78 n HIS 8 Cb 0.50 -1.99 0.25 0.00 0.12 0.00 0.00 29.99 28.87 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 -2.40 1.55 0.60 -1.39 0.00 -1.26 -2.10 107.32 102.31 2p78 s GLY 9 Ca 0.67 -0.14 -0.17 0.00 0.00 0.00 0.00 44.72 45.07 2p78 s GLY 9 CO 0.58 0.57 1.13 -1.83 0.00 0.00 0.00 173.10 173.55 2p78 s GLU 10 N -4.50 3.05 0.45 2.90 -1.05 -1.26 -4.76 118.70 113.53 2p78 s GLU 10 Ca 0.68 1.55 0.03 0.00 -0.15 0.00 0.00 54.97 57.08 2p78 s GLU 10 Cb -0.24 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 2p78 s GLU 10 CO 0.64 -1.08 0.05 0.95 0.95 0.00 0.00 175.26 176.77 2p78 s THR 11 N -1.99 1.10 0.37 1.83 -4.23 -1.26 -1.85 115.64 109.61 2p78 s THR 11 Ca 0.71 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 2p78 s THR 11 Cb -0.23 -2.38 0.18 0.00 1.34 0.00 0.00 72.50 71.41 2p78 s THR 11 CO 0.34 0.00 1.93 -0.07 -0.54 0.00 0.00 174.62 176.28 2p78 h LEU 12 N 1.60 0.38 -0.94 4.79 3.38 -1.94 -2.32 115.31 120.27 2p78 h LEU 12 Ca -0.41 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2p78 h LEU 12 Cb 1.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2p78 h LEU 12 CO 0.69 0.44 0.00 -0.50 0.09 0.00 0.00 178.44 179.17 2p78 h TRP 13 N 0.41 0.00 -0.02 1.13 4.06 -1.95 0.39 115.95 119.96 2p78 h TRP 13 Ca 0.09 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.85 2p78 h TRP 13 Cb 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2p78 h TRP 13 CO 0.01 0.00 -0.83 -0.91 -3.56 0.00 0.00 178.44 173.15 2p78 h ASN 14 N 0.00 0.39 0.33 -3.49 -0.26 -1.70 0.98 115.58 111.83 2p78 h ASN 14 Ca 0.00 -0.29 -0.22 0.00 -0.56 0.00 0.00 56.30 55.24 2p78 h ASN 14 Cb 0.61 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2p78 h ASN 14 CO 0.00 1.06 -0.90 -0.09 -1.06 0.00 0.00 177.43 176.44 2p78 h ARG 15 N 0.19 0.40 0.00 0.81 2.43 -1.39 -3.29 114.38 113.53 2p78 h ARG 15 Ca -0.05 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2p78 h ARG 15 Cb 1.43 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2p78 h ARG 15 CO 0.14 1.07 -0.27 0.93 -1.51 0.00 0.00 179.97 180.33 2p78 h GLU 16 N 0.23 0.00 -1.99 0.20 5.08 -0.84 -3.48 114.58 113.78 2p78 h GLU 16 Ca -0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2p78 h GLU 16 Cb 1.52 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.80 2p78 h GLU 16 CO 0.15 0.00 -0.13 0.41 -1.00 0.00 0.00 179.01 178.44 2p78 n GLY 17 N 1.27 0.64 3.67 -3.84 0.00 0.24 -4.89 105.19 102.28 2p78 n GLY 17 Ca 0.04 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.19 2.70 -0.06 1.61 0.52 -0.58 -0.95 118.95 117.01 2p78 s ARG 18 Ca 0.11 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 2p78 s ARG 18 Cb -0.05 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 2p78 s ARG 18 CO 0.14 0.60 1.90 -0.51 0.02 0.00 0.00 175.30 177.45 2p78 s LEU 19 N -1.68 4.18 -0.28 2.53 1.43 0.75 -4.71 118.68 120.90 2p78 s LEU 19 Ca 0.20 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.58 2p78 s LEU 19 Cb -0.11 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.60 2p78 s LEU 19 CO 0.11 -1.20 0.02 -0.22 0.23 0.00 0.00 176.35 175.30 2p78 s LEU 20 N 5.09 3.65 0.00 1.79 2.96 -1.26 -0.04 118.68 130.87 2p78 s LEU 20 Ca 0.85 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2p78 s LEU 20 Cb -0.37 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2p78 s LEU 20 CO 0.36 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 2p78 n GLY 21 N 4.77 1.08 0.48 7.98 0.00 -1.26 -4.85 105.19 113.39 2p78 n GLY 21 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.04 -1.93 1.61 7.02 -1.26 -4.67 117.44 118.26 2p78 n TRP 22 Ca 0.00 -0.02 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 2p78 n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.96 3.22 -1.41 -0.99 2.01 -1.26 -4.87 115.64 110.39 2p78 s THR 23 Ca 0.37 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 2p78 s THR 23 Cb 0.20 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 69.46 2p78 s THR 23 CO 0.32 -0.02 2.18 -0.67 -0.69 0.00 0.00 174.62 175.74 2p78 n ASP 24 N 6.34 4.83 -4.80 3.53 2.03 -1.26 -4.98 116.55 122.24 2p78 n ASP 24 Ca 0.17 -2.92 -0.34 0.00 0.52 0.00 0.00 54.79 52.21 2p78 n ASP 24 Cb 0.41 -1.58 -0.06 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 1.07 4.04 0.59 -2.67 1.43 -1.26 -4.87 118.68 117.01 2p78 s LEU 25 Ca 0.47 1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 55.31 2p78 s LEU 25 Cb 0.13 -4.38 0.01 0.00 0.03 0.00 0.00 46.19 41.98 2p78 s LEU 25 CO -0.06 -0.38 0.90 -2.16 0.23 0.00 0.00 176.35 174.89 2p78 s PRO 26 N -2.85 2.89 0.61 1.29 0.04 -1.26 -3.64 135.00 132.09 2p78 s PRO 26 Ca 0.60 -0.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 2p78 s PRO 26 Cb -0.14 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2p78 s PRO 26 CO 0.18 -0.71 1.06 -0.51 0.04 0.00 0.00 177.00 177.06 2p78 s LEU 27 N -4.99 3.42 0.82 -3.56 1.43 -1.26 -4.52 118.68 110.02 2p78 s LEU 27 Ca 0.54 1.77 -0.06 0.00 -1.03 0.00 0.00 54.13 55.35 2p78 s LEU 27 Cb -0.11 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.75 2p78 s LEU 27 CO 0.45 -1.21 1.12 0.42 0.23 0.00 0.00 176.35 177.36 2p78 s THR 28 N -2.58 2.06 0.24 5.49 -4.23 -0.77 -4.86 115.64 110.99 2p78 s THR 28 Ca 0.62 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.69 2p78 s THR 28 Cb -0.15 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.21 2p78 s THR 28 CO 0.40 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.33 2p78 h ALA 29 N -0.96 1.16 -0.37 3.99 0.00 -1.97 -1.57 119.26 119.55 2p78 h ALA 29 Ca -0.39 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 2p78 h ALA 29 Cb 1.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2p78 h ALA 29 CO 0.38 0.65 -0.20 1.49 0.00 0.00 0.00 179.25 181.57 2p78 h GLU 30 N 1.18 0.71 -0.69 0.00 4.57 -1.93 -1.74 114.58 116.68 2p78 h GLU 30 Ca 0.29 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2p78 h GLU 30 Cb 0.09 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2p78 h GLU 30 CO -0.04 0.86 0.30 0.78 -1.18 0.00 0.00 179.01 179.73 2p78 h GLY 31 N 0.98 1.08 1.21 1.92 0.00 -1.50 0.66 103.07 107.41 2p78 h GLY 31 Ca 0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 2p78 h GLY 31 CO 0.05 0.52 -0.35 0.83 0.00 0.00 0.00 176.54 177.58 2p78 h GLU 32 N 0.99 0.87 -0.57 4.80 5.08 -1.02 -1.67 114.58 123.06 2p78 h GLU 32 Ca 0.24 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2p78 h GLU 32 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2p78 h GLU 32 CO -0.03 1.08 0.35 0.00 -1.00 0.00 0.00 179.01 179.41 2p78 h ALA 33 N 0.87 0.73 -0.86 3.43 0.00 -0.68 -1.00 119.26 121.75 2p78 h ALA 33 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2p78 h ALA 33 Cb 0.92 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2p78 h ALA 33 CO 0.09 0.21 0.44 1.96 0.00 0.00 0.00 179.25 181.95 2p78 h GLN 34 N 0.77 1.22 -0.67 0.00 4.20 -0.70 -2.14 115.11 117.80 2p78 h GLN 34 Ca 0.21 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2p78 h GLN 34 Cb -0.02 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 2p78 h GLN 34 CO -0.04 0.91 0.23 0.00 -0.67 0.00 0.00 178.83 179.26 2p78 h ALA 35 N 1.24 0.87 -0.45 3.87 0.00 -0.71 -2.64 119.26 121.44 2p78 h ALA 35 Ca 0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2p78 h ALA 35 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2p78 h ALA 35 CO -0.04 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.80 2p78 h ARG 36 N 0.96 0.69 0.00 0.00 3.08 -0.83 -2.02 114.38 116.26 2p78 h ARG 36 Ca 0.22 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2p78 h ARG 36 Cb 0.27 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2p78 h ARG 36 CO -0.01 0.67 -0.05 0.00 -1.07 0.00 0.00 179.97 179.50 2p78 h ARG 37 N 0.66 0.00 0.00 0.04 3.08 -1.03 -1.99 114.38 115.15 2p78 h ARG 37 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2p78 h ARG 37 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2p78 h ARG 37 CO 0.01 0.05 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.53 2p78 h LEU 38 N 0.00 0.00 -9.38 3.04 3.38 -1.26 -3.41 115.31 107.68 2p78 h LEU 38 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2p78 h LEU 38 Cb 0.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 2p78 h LEU 38 CO 0.01 0.36 1.14 -0.75 0.09 0.00 0.00 178.44 179.29 2p78 s LYS 39 N -3.40 4.16 0.00 1.13 2.20 -0.75 -1.06 119.74 122.02 2p78 s LYS 39 Ca 0.02 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 2p78 s LYS 39 Cb 0.09 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2p78 s LYS 39 CO 0.69 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 2p78 n GLY 40 N 4.32 2.85 0.02 5.54 0.00 -1.26 -4.83 105.19 111.83 2p78 n GLY 40 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.55 3.74 -2.78 4.61 0.00 -0.22 -4.90 120.51 119.40 2p78 n ALA 41 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 53.44 52.66 2p78 n ALA 41 Cb 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.64 3.85 0.67 0.00 1.43 -1.10 -5.10 118.68 114.79 2p78 s LEU 42 Ca 0.04 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.05 2p78 s LEU 42 Cb 0.15 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2p78 s LEU 42 CO 0.82 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.54 2p78 s PRO 43 N -2.18 2.79 -1.10 1.29 0.04 -1.26 -4.93 135.00 129.65 2p78 s PRO 43 Ca 0.27 1.29 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 2p78 s PRO 43 Cb -0.12 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.54 2p78 s PRO 43 CO 0.20 -1.24 1.47 -1.12 0.04 0.00 0.00 177.00 176.35 2p78 s SER 44 N -2.85 6.66 0.19 6.66 0.01 -1.26 -4.93 113.70 118.17 2p78 s SER 44 Ca 0.65 -1.95 0.04 0.00 1.31 0.00 0.00 55.95 55.99 2p78 s SER 44 Cb -0.19 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2p78 s SER 44 CO 0.44 -1.28 -0.05 -0.76 0.41 0.00 0.00 173.24 172.00 2p78 s LEU 45 N 4.11 2.36 0.64 2.44 1.43 -1.26 -5.12 118.68 123.27 2p78 s LEU 45 Ca 0.46 -1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.27 2p78 s LEU 45 Cb 0.00 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 2p78 s LEU 45 CO -0.04 -0.42 0.88 -2.65 0.23 0.00 0.00 176.35 174.35 2p78 n PRO 46 N -0.30 0.72 -4.25 1.29 -0.02 -1.26 -4.58 135.00 126.59 2p78 n PRO 46 Ca -0.08 0.29 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 2p78 n PRO 46 Cb 0.62 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.63 1.63 0.07 3.55 0.00 -1.26 -1.17 121.76 122.95 2p78 s ALA 47 Ca 0.74 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.56 2p78 s ALA 47 Cb -0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2p78 s ALA 47 CO 0.49 0.31 -0.09 -0.06 0.00 0.00 0.00 175.76 176.41 2p78 s PHE 48 N -1.19 0.86 0.01 0.00 0.08 -0.38 -1.85 117.98 115.52 2p78 s PHE 48 Ca 0.04 -0.61 -0.16 0.00 0.12 0.00 0.00 56.93 56.32 2p78 s PHE 48 Cb -0.10 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 2p78 s PHE 48 CO 0.04 -0.06 0.36 0.45 -0.10 0.00 0.00 175.22 175.90 2p78 s SER 49 N -2.06 -0.23 0.68 1.36 0.15 -0.71 -0.68 113.70 112.21 2p78 s SER 49 Ca -0.02 0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.51 2p78 s SER 49 Cb -0.06 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2p78 s SER 49 CO -0.00 -0.56 1.21 -0.55 1.20 0.00 0.00 173.24 174.54 2p78 s SER 50 N -1.68 4.55 0.00 5.45 0.15 -0.53 -1.16 113.70 120.49 2p78 s SER 50 Ca -0.09 2.37 0.29 0.00 0.70 0.00 0.00 55.95 59.22 2p78 s SER 50 Cb -0.03 -2.59 1.26 0.00 -1.71 0.00 0.00 66.02 62.95 2p78 s SER 50 CO 0.01 -2.03 1.88 -0.90 1.20 0.00 0.00 173.24 173.40 2p78 n ASP 51 N -2.33 0.45 -4.77 5.45 5.75 -1.25 -4.07 116.55 115.78 2p78 n ASP 51 Ca 0.14 -0.58 -0.38 0.00 -0.01 0.00 0.00 54.79 53.95 2p78 n ASP 51 Cb 0.50 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 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 -2.46 4.19 0.19 -2.12 1.43 -1.26 -4.82 118.68 113.84 2p78 s LEU 52 Ca 0.30 2.42 -0.20 0.00 -1.03 0.00 0.00 54.13 55.62 2p78 s LEU 52 Cb 0.20 -4.01 0.14 0.00 0.03 0.00 0.00 46.19 42.56 2p78 s LEU 52 CO 0.47 -0.74 1.59 0.25 0.23 0.00 0.00 176.35 178.15 2p78 h LEU 53 N 2.61 -1.12 -1.58 1.79 5.85 -1.89 -1.68 115.31 119.28 2p78 h LEU 53 Ca -0.49 0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2p78 h LEU 53 Cb 1.24 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 2p78 h LEU 53 CO 0.62 -0.30 0.39 0.08 -0.34 0.00 0.00 178.44 178.89 2p78 h ARG 54 N -0.14 0.48 0.00 1.25 0.11 -1.92 -0.08 114.38 114.09 2p78 h ARG 54 Ca 0.25 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 60.25 2p78 h ARG 54 Cb 0.55 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2p78 h ARG 54 CO -0.70 0.32 -0.21 0.00 0.10 0.00 0.00 179.97 179.48 2p78 h ALA 55 N 1.69 0.02 -0.63 0.08 0.00 -1.64 -2.65 119.26 116.14 2p78 h ALA 55 Ca 0.26 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.76 2p78 h ALA 55 Cb 0.37 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2p78 h ALA 55 CO -0.07 0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.58 2p78 h ARG 56 N -0.57 0.62 -0.28 0.00 3.08 -0.99 -1.32 114.38 114.92 2p78 h ARG 56 Ca -0.03 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2p78 h ARG 56 Cb 0.99 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2p78 h ARG 56 CO 0.04 0.41 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.09 2p78 h ARG 57 N 0.64 0.50 -0.40 0.04 9.65 -1.11 -0.89 114.38 122.81 2p78 h ARG 57 Ca 0.28 -0.16 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2p78 h ARG 57 Cb 0.16 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2p78 h ARG 57 CO -0.17 0.66 0.02 1.15 2.80 0.00 0.00 179.97 184.43 2p78 h THR 58 N 0.46 1.26 -0.81 0.20 2.02 -1.00 -1.34 112.91 113.69 2p78 h THR 58 Ca 0.08 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 2p78 h THR 58 Cb 0.57 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 2p78 h THR 58 CO 0.04 0.33 0.42 0.00 0.37 0.00 0.00 175.52 176.68 2p78 h ALA 59 N 0.90 1.04 0.02 6.16 0.00 -0.91 -0.86 119.26 125.61 2p78 h ALA 59 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2p78 h ALA 59 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2p78 h ALA 59 CO 0.02 0.58 -0.01 1.49 0.00 0.00 0.00 179.25 181.32 2p78 h GLU 60 N 1.14 -0.03 0.00 0.00 4.81 -0.97 0.77 114.58 120.30 2p78 h GLU 60 Ca 0.28 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2p78 h GLU 60 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2p78 h GLU 60 CO -0.04 0.20 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.19 2p78 h LEU 61 N -0.25 0.00 -0.14 1.64 3.38 -1.11 -1.43 115.31 117.39 2p78 h LEU 61 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2p78 h LEU 61 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2p78 h LEU 61 CO 0.01 0.18 -0.01 0.00 0.09 0.00 0.00 178.44 178.70 2p78 n ALA 62 N -2.31 2.66 -0.50 1.53 0.00 -0.34 -4.26 120.51 117.29 2p78 n ALA 62 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2p78 n ALA 62 Cb 0.29 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.07 0.71 3.62 0.00 0.00 -0.54 -3.94 105.19 106.11 2p78 n GLY 63 Ca 0.22 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 2.62 -0.56 1.61 0.08 0.24 -5.02 117.98 114.96 2p78 s PHE 64 Ca 0.00 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 56.84 2p78 s PHE 64 Cb 0.00 -1.21 0.21 0.00 -0.57 0.00 0.00 43.02 41.45 2p78 s PHE 64 CO 0.00 0.61 0.55 0.43 -0.10 0.00 0.00 175.22 176.71 2p78 n SER 65 N -0.87 1.93 -4.77 1.36 7.64 -1.26 -3.96 113.62 113.69 2p78 n SER 65 Ca -0.06 -3.01 -0.34 0.00 1.01 0.00 0.00 58.87 56.47 2p78 n SER 65 Cb 0.60 -0.66 0.03 0.00 -1.01 0.00 0.00 64.21 63.16 2p78 n SER 65 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2p78 s PRO 66 N -1.44 2.98 -0.05 1.43 0.04 -1.26 -4.82 135.00 131.88 2p78 s PRO 66 Ca 0.34 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 2p78 s PRO 66 Cb 0.08 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2p78 s PRO 66 CO -0.11 -1.13 0.61 0.50 0.04 0.00 0.00 177.00 176.91 2p78 s ARG 67 N -3.76 4.37 0.14 4.56 3.52 -0.77 -4.81 118.95 122.20 2p78 s ARG 67 Ca 0.70 0.73 -0.24 0.00 -0.13 0.00 0.00 55.73 56.78 2p78 s ARG 67 Cb -0.23 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 2p78 s ARG 67 CO 0.36 0.21 0.74 -0.51 -0.81 0.00 0.00 175.30 175.29 2p78 s LEU 68 N 0.36 4.57 -0.12 -0.88 1.43 -1.26 -1.74 118.68 121.04 2p78 s LEU 68 Ca 0.32 1.56 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2p78 s LEU 68 Cb -0.17 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 42.88 2p78 s LEU 68 CO 0.16 0.20 0.20 -0.31 0.23 0.00 0.00 176.35 176.83 2p78 s TYR 69 N -1.01 -0.25 0.49 0.29 2.02 -0.31 -4.93 117.35 113.64 2p78 s TYR 69 Ca 0.35 0.61 0.41 0.00 -0.37 0.00 0.00 57.07 58.07 2p78 s TYR 69 Cb -0.22 -0.23 2.13 0.00 -0.40 0.00 0.00 41.96 43.24 2p78 s TYR 69 CO 0.25 -0.36 2.25 -1.35 -1.57 0.00 0.00 175.55 174.77 2p78 h PRO 70 N 8.34 0.00 0.00 -1.71 0.11 -1.94 -1.72 132.00 135.07 2p78 h PRO 70 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 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 -0.30 1.05 3.07 -1.94 -1.00 114.58 115.46 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 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 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 -2.97 2.23 -4.73 1.33 4.77 -0.65 -4.40 117.00 112.59 2p78 n LEU 72 Ca -0.02 -1.01 -0.34 0.00 -0.03 0.00 0.00 56.01 54.61 2p78 n LEU 72 Cb 0.11 -0.20 0.09 0.00 -2.33 0.00 0.00 43.42 41.09 2p78 n LEU 72 CO 0.20 0.50 0.81 -0.13 -1.33 0.00 0.00 177.39 177.44 2p78 s ARG 73 N -1.61 2.24 0.99 3.23 0.52 -0.38 -4.33 118.95 119.61 2p78 s ARG 73 Ca 0.33 1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 57.19 2p78 s ARG 73 Cb 0.18 -1.84 0.19 0.00 0.52 0.00 0.00 34.95 33.99 2p78 s ARG 73 CO 0.25 -1.76 1.08 -2.00 0.02 0.00 0.00 175.30 172.89 2p78 s GLU 74 N -3.84 0.43 0.56 3.54 2.56 -1.26 -4.85 118.70 115.84 2p78 s GLU 74 Ca 0.75 0.96 -0.20 0.00 0.00 0.00 0.00 54.97 56.48 2p78 s GLU 74 Cb -0.29 -1.70 -0.04 0.00 2.00 0.00 0.00 34.13 34.09 2p78 s GLU 74 CO 0.44 -2.84 1.24 -1.50 -0.56 0.00 0.00 175.26 172.03 2p78 s ILE 75 N -2.72 2.57 -0.46 -3.70 2.07 -1.26 -4.77 121.20 112.92 2p78 s ILE 75 Ca 0.66 0.38 -0.23 0.00 -1.41 0.00 0.00 60.65 60.05 2p78 s ILE 75 Cb -0.21 -3.17 0.03 0.00 0.13 0.00 0.00 42.46 39.24 2p78 s ILE 75 CO 0.60 -0.05 0.78 -2.28 -1.91 0.00 0.00 174.94 172.08 2p78 s HIS 76 N -1.51 2.98 -1.57 3.50 5.65 -1.26 -4.16 115.29 118.92 2p78 s HIS 76 Ca 0.74 0.09 0.29 0.00 0.25 0.00 0.00 55.06 56.43 2p78 s HIS 76 Cb -0.33 -3.67 1.53 0.00 -1.18 0.00 0.00 32.58 28.93 2p78 s HIS 76 CO 0.37 -1.02 2.02 1.19 -0.65 0.00 0.00 174.74 176.65 2p78 n PHE 77 N 6.73 0.00 -0.90 3.88 3.72 -1.26 -0.93 117.46 128.71 2p78 n PHE 77 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2p78 n PHE 77 Cb 0.48 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 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 1.07 3.08 0.00 1.37 0.00 -1.26 -1.11 105.19 108.35 2p78 n GLY 78 Ca 0.16 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 9.77 1.31 1.19 4.61 0.00 0.31 -1.28 120.51 136.43 2p78 n ALA 79 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2p78 n ALA 79 Cb 0.00 -1.10 0.26 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.47 1.32 -1.65 0.00 2.00 -0.26 -4.91 117.12 112.14 2p78 n MET 80 Ca 0.02 -0.93 -0.46 0.00 0.00 0.00 0.00 57.70 56.33 2p78 n MET 80 Cb 0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.78 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 -0.03 1.89 -0.42 0.03 -0.58 -0.40 -1.35 120.64 119.78 2p78 n GLU 81 Ca 0.13 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 2p78 n GLU 81 Cb 0.42 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 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 2.32 1.89 3.77 0.62 0.00 0.94 -4.95 105.19 109.77 2p78 n GLY 82 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.32 3.49 0.09 4.61 0.00 -0.46 -4.47 121.76 121.72 2p78 s ALA 83 Ca 0.00 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 2p78 s ALA 83 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2p78 s ALA 83 CO 0.00 -0.58 1.38 -0.51 0.00 0.00 0.00 175.76 176.05 2p78 s LEU 84 N -1.58 4.36 0.22 0.00 1.43 -1.26 -0.18 118.68 121.67 2p78 s LEU 84 Ca 0.49 2.28 -0.08 0.00 -1.03 0.00 0.00 54.13 55.79 2p78 s LEU 84 Cb -0.39 -3.58 0.32 0.00 0.03 0.00 0.00 46.19 42.57 2p78 s LEU 84 CO 0.50 -0.65 1.75 -0.25 0.23 0.00 0.00 176.35 177.93 2p78 h TRP 85 N 6.97 0.49 -0.76 0.29 2.91 -1.39 -2.05 115.95 122.41 2p78 h TRP 85 Ca -0.42 0.03 0.17 0.00 1.13 0.00 0.00 58.89 59.81 2p78 h TRP 85 Cb 1.21 -0.12 -0.14 0.00 -0.51 0.00 0.00 29.16 29.60 2p78 h TRP 85 CO 0.67 0.14 -0.03 0.93 -1.03 0.00 0.00 178.44 179.12 2p78 h GLU 86 N 0.48 0.07 -0.17 2.65 5.08 -1.91 -0.42 114.58 120.36 2p78 h GLU 86 Ca 0.33 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2p78 h GLU 86 Cb 0.40 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2p78 h GLU 86 CO -0.30 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 178.01 2p78 n THR 87 N -5.38 0.22 -2.10 1.13 -2.24 -0.81 -4.91 114.28 100.20 2p78 n THR 87 Ca 0.13 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2p78 n THR 87 Cb 0.47 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2p78 n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2p78 s LEU 88 N -1.46 4.38 0.35 3.22 2.96 -0.17 -4.94 118.68 123.02 2p78 s LEU 88 Ca 0.29 2.45 -0.28 0.00 -0.22 0.00 0.00 54.13 56.37 2p78 s LEU 88 Cb 0.15 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 43.13 2p78 s LEU 88 CO 0.23 -0.68 1.28 -0.67 -1.32 0.00 0.00 176.35 175.19 2p78 n ASP 89 N 3.56 2.70 -0.28 3.68 -0.08 -1.26 -4.63 116.55 120.24 2p78 n ASP 89 Ca 0.11 1.20 0.01 0.00 -1.51 0.00 0.00 54.79 54.60 2p78 n ASP 89 Cb 0.41 -1.48 0.08 0.00 2.34 0.00 0.00 41.12 42.48 2p78 n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2p78 h PRO 90 N 2.49 -0.02 0.00 -0.67 0.11 -1.98 0.21 132.00 132.14 2p78 h PRO 90 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2p78 h PRO 90 Cb 1.29 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2p78 h PRO 90 CO 0.62 -0.01 -0.12 0.07 -0.21 0.00 0.00 178.00 178.34 2p78 h ARG 91 N -0.02 0.00 0.22 1.05 0.11 -2.00 -1.56 114.38 112.18 2p78 h ARG 91 Ca 0.37 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.14 2p78 h ARG 91 Cb 0.59 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.70 2p78 h ARG 91 CO -0.84 0.12 -1.37 1.88 0.10 0.00 0.00 179.97 179.86 2p78 h TYR 92 N 0.00 0.84 -0.18 4.08 0.05 -1.02 -2.55 116.97 118.20 2p78 h TYR 92 Ca -0.00 -0.61 -0.00 0.00 0.05 0.00 0.00 58.73 58.16 2p78 h TYR 92 Cb 0.34 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2p78 h TYR 92 CO 0.00 1.53 0.11 0.87 -1.05 0.00 0.00 178.16 179.61 2p78 h LYS 93 N 0.01 0.24 -0.62 4.88 1.57 -0.67 -1.12 116.57 120.86 2p78 h LYS 93 Ca -0.25 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 2p78 h LYS 93 Cb 2.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 2p78 h LYS 93 CO 0.23 0.20 0.25 1.49 -0.57 0.00 0.00 179.45 181.05 2p78 h GLU 94 N 0.21 0.92 -0.65 3.15 4.81 -1.42 0.24 114.58 121.84 2p78 h GLU 94 Ca 0.06 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2p78 h GLU 94 Cb 0.02 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 2p78 h GLU 94 CO -0.01 0.78 0.37 0.00 -0.73 0.00 0.00 179.01 179.41 2p78 h ALA 95 N 1.10 0.87 -0.23 2.92 0.00 -1.18 0.43 119.26 123.16 2p78 h ALA 95 Ca 0.21 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 2p78 h ALA 95 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2p78 h ALA 95 CO -0.02 0.06 -0.60 -0.07 0.00 0.00 0.00 179.25 178.63 2p78 h LEU 96 N 0.70 0.85 -0.29 0.00 3.38 -0.82 -0.48 115.31 118.65 2p78 h LEU 96 Ca 0.29 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2p78 h LEU 96 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2p78 h LEU 96 CO -0.16 1.26 0.01 -0.07 0.09 0.00 0.00 178.44 179.56 2p78 h LEU 97 N 0.57 0.49 0.00 1.67 3.38 0.14 -2.44 115.31 119.12 2p78 h LEU 97 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2p78 h LEU 97 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2p78 h LEU 97 CO 0.12 0.67 0.00 0.54 0.09 0.00 0.00 178.44 179.86 2p78 n ARG 98 N -4.60 0.15 -3.71 1.13 1.74 0.14 -4.92 116.66 106.59 2p78 n ARG 98 Ca -0.03 0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 2p78 n ARG 98 Cb 0.24 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 2p78 n ARG 98 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2p78 n PHE 99 N -1.43 -2.29 -3.76 -1.55 7.35 -0.25 -4.98 117.46 110.55 2p78 n PHE 99 Ca 0.09 0.92 -0.13 0.00 -0.76 0.00 0.00 57.45 57.57 2p78 n PHE 99 Cb 0.30 -4.50 -0.14 0.00 0.35 0.00 0.00 39.48 35.49 2p78 n PHE 99 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2p78 s GLN 100 N -6.17 0.14 -0.14 -4.13 -1.52 -0.83 -5.03 119.66 101.98 2p78 s GLN 100 Ca 0.34 0.37 -0.06 0.00 -1.95 0.00 0.00 55.36 54.07 2p78 s GLN 100 Cb -0.16 -0.11 0.02 0.00 -0.22 0.00 0.00 33.01 32.54 2p78 s GLN 100 CO 0.79 -0.13 0.11 0.41 -0.25 0.00 0.00 175.29 176.22 2p78 n GLY 101 N 3.94 -3.15 3.56 3.09 0.00 -1.26 -4.72 105.19 106.64 2p78 n GLY 101 Ca -0.23 0.90 -0.09 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.72 -0.93 -0.47 1.61 5.36 -1.26 -4.82 117.98 116.75 2p78 s PHE 102 Ca -0.13 1.92 0.06 0.00 -0.96 0.00 0.00 56.93 57.83 2p78 s PHE 102 Cb 0.01 0.51 0.18 0.00 -0.34 0.00 0.00 43.02 43.38 2p78 s PHE 102 CO 0.50 -0.47 0.63 -1.58 -1.46 0.00 0.00 175.22 172.84 2p78 s HIS 103 N 1.41 -1.15 0.57 10.12 2.46 -1.26 -0.52 115.29 126.91 2p78 s HIS 103 Ca -0.08 -0.69 -0.20 0.00 0.47 0.00 0.00 55.06 54.55 2p78 s HIS 103 Cb -0.06 0.08 -0.04 0.00 -0.13 0.00 0.00 32.58 32.44 2p78 s HIS 103 CO -0.16 -1.17 1.25 -1.25 -2.47 0.00 0.00 174.74 170.95 2p78 s PRO 104 N 0.98 3.09 0.26 2.88 0.04 -1.26 -4.92 135.00 136.07 2p78 s PRO 104 Ca 0.27 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 2p78 s PRO 104 Cb -0.02 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 2p78 s PRO 104 CO -0.07 -1.15 1.53 -2.30 0.04 0.00 0.00 177.00 175.05 2p78 n PRO 105 N -1.30 2.44 -0.92 0.56 -0.02 -1.26 -1.46 135.00 133.04 2p78 n PRO 105 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2p78 n PRO 105 Cb 0.48 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.30 0.40 0.00 -1.23 0.00 -1.26 -0.53 105.19 104.87 2p78 n GLY 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.59 6.67 3.76 -0.02 0.00 -0.53 -4.24 105.19 109.23 2p78 n GLY 107 Ca 0.00 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 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 1.44 2.93 0.49 1.61 2.02 -0.10 -4.86 118.70 122.24 2p78 s GLU 108 Ca 0.00 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.27 2p78 s GLU 108 Cb 0.00 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 31.40 2p78 s GLU 108 CO 0.00 0.61 0.90 -1.54 0.02 0.00 0.00 175.26 175.25 2p78 s SER 109 N -2.01 6.48 0.36 -0.19 1.04 -1.26 -4.25 113.70 113.87 2p78 s SER 109 Ca 0.25 1.33 0.03 0.00 0.48 0.00 0.00 55.95 58.04 2p78 s SER 109 Cb -0.12 -2.41 0.66 0.00 0.10 0.00 0.00 66.02 64.25 2p78 s SER 109 CO 0.17 -0.58 2.00 0.25 0.98 0.00 0.00 173.24 176.07 2p78 h LEU 110 N 0.73 0.67 -0.57 2.42 5.85 -1.20 -1.48 115.31 121.73 2p78 h LEU 110 Ca -0.46 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2p78 h LEU 110 Cb 1.19 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2p78 h LEU 110 CO 0.62 0.51 0.28 0.28 -0.34 0.00 0.00 178.44 179.79 2p78 h SER 111 N 0.78 0.74 -0.27 1.25 0.02 -1.92 -0.07 113.55 114.08 2p78 h SER 111 Ca 0.21 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2p78 h SER 111 Cb -0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2p78 h SER 111 CO -0.04 0.66 -0.19 0.00 -1.14 0.00 0.00 176.83 176.11 2p78 h ALA 112 N 1.11 0.95 0.16 3.77 0.00 -1.82 -1.66 119.26 121.78 2p78 h ALA 112 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2p78 h ALA 112 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2p78 h ALA 112 CO -0.03 0.61 -0.08 0.35 0.00 0.00 0.00 179.25 180.10 2p78 h PHE 113 N 0.64 -0.20 -0.34 0.00 3.57 -0.85 -1.49 116.94 118.27 2p78 h PHE 113 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2p78 h PHE 113 Cb 0.67 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2p78 h PHE 113 CO 0.03 -0.07 0.19 1.96 -2.23 0.00 0.00 178.31 178.19 2p78 h GLN 114 N -0.28 0.38 -0.65 1.11 4.20 -0.91 -0.75 115.11 118.21 2p78 h GLN 114 Ca -0.02 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.72 2p78 h GLN 114 Cb 0.22 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 2p78 h GLN 114 CO 0.04 0.25 0.36 1.49 -0.67 0.00 0.00 178.83 180.30 2p78 h GLU 115 N 0.39 0.66 -0.05 1.46 4.81 -1.19 0.14 114.58 120.80 2p78 h GLU 115 Ca 0.13 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2p78 h GLU 115 Cb 0.01 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2p78 h GLU 115 CO -0.07 0.43 0.03 -0.09 -0.73 0.00 0.00 179.01 178.58 2p78 h ARG 116 N 0.68 0.07 0.03 1.92 2.43 -0.89 -0.54 114.38 118.07 2p78 h ARG 116 Ca 0.29 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2p78 h ARG 116 Cb 0.16 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2p78 h ARG 116 CO -0.17 0.11 -0.02 0.28 -1.51 0.00 0.00 179.97 178.66 2p78 h VAL 117 N 0.01 1.16 -0.07 0.20 2.07 -0.73 -2.57 116.25 116.32 2p78 h VAL 117 Ca 0.02 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2p78 h VAL 117 Cb 0.06 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2p78 h VAL 117 CO -0.00 0.16 -0.32 -0.26 0.02 0.00 0.00 177.57 177.16 2p78 h PHE 118 N -0.31 0.15 -0.64 1.57 0.04 -0.75 -1.58 116.94 115.43 2p78 h PHE 118 Ca -0.00 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2p78 h PHE 118 Cb 0.29 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2p78 h PHE 118 CO 0.02 0.45 0.06 -0.09 -0.60 0.00 0.00 178.31 178.15 2p78 h ARG 119 N 0.12 1.08 -0.30 1.51 2.43 -1.07 -1.02 114.38 117.13 2p78 h ARG 119 Ca 0.02 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 2p78 h ARG 119 Cb 0.63 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2p78 h ARG 119 CO 0.05 1.02 0.11 0.35 -1.51 0.00 0.00 179.97 179.99 2p78 h PHE 120 N 0.99 0.46 -0.79 2.20 3.57 -0.99 -2.34 116.94 120.05 2p78 h PHE 120 Ca 0.19 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2p78 h PHE 120 Cb 0.49 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2p78 h PHE 120 CO 0.04 0.45 0.34 -0.07 -2.23 0.00 0.00 178.31 176.84 2p78 h LEU 121 N 0.33 1.06 -1.35 0.59 3.38 -1.13 -2.36 115.31 115.82 2p78 h LEU 121 Ca 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2p78 h LEU 121 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2p78 h LEU 121 CO -0.01 0.92 0.18 -0.08 0.09 0.00 0.00 178.44 179.55 2p78 h GLU 122 N 1.13 0.63 0.00 1.13 4.22 -1.01 -2.56 114.58 118.12 2p78 h GLU 122 Ca 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.62 2p78 h GLU 122 Cb 0.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2p78 h GLU 122 CO -0.03 0.51 0.00 0.41 -2.18 0.00 0.00 179.01 177.73 2p78 n GLY 123 N -1.18 -1.42 3.73 1.92 0.00 -0.89 -4.81 105.19 102.54 2p78 n GLY 123 Ca 0.03 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.10 4.38 0.05 0.99 1.43 -0.97 -4.92 118.68 115.54 2p78 s LEU 124 Ca 0.08 2.56 0.23 0.00 -1.03 0.00 0.00 54.13 55.96 2p78 s LEU 124 Cb 0.12 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.77 2p78 s LEU 124 CO 0.46 -0.74 1.01 0.29 0.23 0.00 0.00 176.35 177.61 2p78 n LYS 125 N 3.43 0.30 -3.58 1.70 4.76 -1.26 -5.00 118.16 118.51 2p78 n LYS 125 Ca 0.11 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.44 2p78 n LYS 125 Cb 0.40 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 2p78 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2p78 s ALA 126 N -3.21 -1.29 0.25 7.82 0.00 -1.26 -5.14 121.76 118.93 2p78 s ALA 126 Ca 0.03 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 2p78 s ALA 126 Cb 0.14 0.85 -0.15 0.00 0.00 0.00 0.00 23.12 23.96 2p78 s ALA 126 CO 0.80 -0.79 0.90 -2.30 0.00 0.00 0.00 175.76 174.38 2p78 n PRO 127 N -0.36 0.98 -3.78 0.00 -0.02 -1.26 -4.98 135.00 125.59 2p78 n PRO 127 Ca -0.14 0.34 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 2p78 n PRO 127 Cb 0.63 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.94 -1.01 -0.17 3.55 0.00 -1.15 -4.21 121.76 117.83 2p78 s ALA 128 Ca 0.62 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 2p78 s ALA 128 Cb -0.78 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2p78 s ALA 128 CO 0.58 -0.88 0.02 0.08 0.00 0.00 0.00 175.76 175.55 2p78 s VAL 129 N -3.89 4.35 -0.30 0.00 1.01 -0.32 -1.32 120.40 119.93 2p78 s VAL 129 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2p78 s VAL 129 Cb -0.03 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.47 2p78 s VAL 129 CO 0.01 0.47 -0.01 -0.76 0.00 0.00 0.00 175.10 174.81 2p78 s LEU 130 N 0.41 3.87 -0.34 3.92 1.43 0.22 -1.25 118.68 126.94 2p78 s LEU 130 Ca -0.00 -1.33 -0.26 0.00 -1.03 0.00 0.00 54.13 51.51 2p78 s LEU 130 Cb -0.13 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2p78 s LEU 130 CO 0.02 -0.26 0.94 -0.36 0.23 0.00 0.00 176.35 176.92 2p78 s PHE 131 N 1.22 3.12 0.00 0.29 0.08 0.15 -0.53 117.98 122.31 2p78 s PHE 131 Ca -0.05 0.90 0.00 0.00 0.12 0.00 0.00 56.93 57.90 2p78 s PHE 131 Cb -0.20 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 2p78 s PHE 131 CO -0.02 -0.76 0.00 -2.37 -0.10 0.00 0.00 175.22 171.97 2p78 n THR 132 N 5.86 0.00 -4.23 0.64 5.66 0.33 -1.45 114.28 121.09 2p78 n THR 132 Ca 0.08 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.83 2p78 n THR 132 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.94 2.60 0.22 1.09 3.76 -1.26 -1.91 115.29 118.84 2p78 s HIS 133 Ca 0.00 -0.52 -0.07 0.00 -0.15 0.00 0.00 55.06 54.32 2p78 s HIS 133 Cb 0.00 -1.75 0.30 0.00 1.11 0.00 0.00 32.58 32.23 2p78 s HIS 133 CO 0.00 0.32 1.82 0.78 -0.85 0.00 0.00 174.74 176.81 2p78 h GLY 134 N 1.59 1.11 1.78 -2.22 0.00 -1.94 -1.45 103.07 101.94 2p78 h GLY 134 Ca -0.43 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 2p78 h GLY 134 CO 0.69 0.17 -0.22 -1.33 0.00 0.00 0.00 176.54 175.85 2p78 h GLY 135 N 0.77 0.28 0.80 4.60 0.00 -1.95 -0.14 103.07 107.44 2p78 h GLY 135 Ca 0.34 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 2p78 h GLY 135 CO -0.20 0.19 -0.31 -2.08 0.00 0.00 0.00 176.54 174.14 2p78 h VAL 136 N 0.24 1.37 -0.49 4.60 2.07 -1.72 -1.01 116.25 121.30 2p78 h VAL 136 Ca 0.04 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 2p78 h VAL 136 Cb 0.53 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 2p78 h VAL 136 CO 0.04 0.47 0.08 0.58 0.02 0.00 0.00 177.57 178.76 2p78 h VAL 137 N 0.06 1.22 -0.39 2.57 2.07 -1.11 -1.79 116.25 118.89 2p78 h VAL 137 Ca 0.00 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.52 2p78 h VAL 137 Cb 0.91 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2p78 h VAL 137 CO 0.07 0.31 -0.32 -0.09 0.02 0.00 0.00 177.57 177.55 2p78 h ARG 138 N 0.74 0.89 -0.71 1.57 2.43 -0.91 0.05 114.38 118.43 2p78 h ARG 138 Ca 0.16 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2p78 h ARG 138 Cb 0.34 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2p78 h ARG 138 CO 0.01 1.08 0.40 0.00 -1.51 0.00 0.00 179.97 179.94 2p78 h ALA 139 N 0.88 0.91 -0.07 2.80 0.00 -0.83 0.12 119.26 123.08 2p78 h ALA 139 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2p78 h ALA 139 Cb 0.89 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2p78 h ALA 139 CO 0.08 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 180.01 2p78 h VAL 140 N 0.98 1.30 -0.45 0.00 2.07 -1.16 -1.58 116.25 117.41 2p78 h VAL 140 Ca 0.25 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2p78 h VAL 140 Cb 0.02 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2p78 h VAL 140 CO -0.04 0.27 0.23 -0.07 0.02 0.00 0.00 177.57 177.97 2p78 h LEU 141 N -0.21 0.58 -1.10 2.57 3.38 -0.82 -2.10 115.31 117.60 2p78 h LEU 141 Ca 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2p78 h LEU 141 Cb 0.44 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2p78 h LEU 141 CO 0.01 0.53 0.28 0.03 0.09 0.00 0.00 178.44 179.38 2p78 h ARG 142 N 0.59 0.91 0.00 1.13 3.08 -0.67 -0.12 114.38 119.30 2p78 h ARG 142 Ca 0.16 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2p78 h ARG 142 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2p78 h ARG 142 CO -0.02 0.73 -0.21 0.00 -1.07 0.00 0.00 179.97 179.39 2p78 h ALA 143 N 1.40 1.48 -0.31 0.04 0.00 -0.92 0.15 119.26 121.11 2p78 h ALA 143 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2p78 h ALA 143 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2p78 h ALA 143 CO -0.02 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.77 2p78 n LEU 144 N -4.04 2.03 -0.20 0.00 4.77 -0.48 -4.90 117.00 114.17 2p78 n LEU 144 Ca -0.02 -1.02 -0.03 0.00 -0.03 0.00 0.00 56.01 54.92 2p78 n LEU 144 Cb 0.29 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2p78 n LEU 144 CO 0.35 0.43 -0.03 0.61 -1.33 0.00 0.00 177.39 177.43 2p78 n GLY 145 N 0.87 0.59 3.60 -0.72 0.00 0.04 -4.88 105.19 104.69 2p78 n GLY 145 Ca 0.11 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.68 1.92 0.17 1.61 2.02 -0.18 -4.98 118.70 117.58 2p78 s GLU 146 Ca 0.00 -2.03 -0.32 0.00 0.02 0.00 0.00 54.97 52.64 2p78 s GLU 146 Cb 0.00 -1.68 -0.11 0.00 0.10 0.00 0.00 34.13 32.44 2p78 s GLU 146 CO 0.00 0.02 1.77 0.34 0.02 0.00 0.00 175.26 177.41 2p78 s ASP 147 N -3.68 6.41 0.00 -0.19 2.15 -1.26 -3.04 116.67 117.05 2p78 s ASP 147 Ca 0.34 2.81 0.20 0.00 0.43 0.00 0.00 52.55 56.33 2p78 s ASP 147 Cb 0.07 -2.58 0.59 0.00 -0.30 0.00 0.00 42.92 40.69 2p78 s ASP 147 CO 0.18 -0.98 1.46 0.61 -0.17 0.00 0.00 175.17 176.26 2p78 n GLY 148 N 4.09 0.83 3.67 2.66 0.00 -1.26 -4.76 105.19 110.42 2p78 n GLY 148 Ca 0.17 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.42 4.17 0.05 0.99 1.43 -1.26 -3.40 118.68 119.24 2p78 s LEU 149 Ca 0.33 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2p78 s LEU 149 Cb 0.18 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2p78 s LEU 149 CO 0.26 -0.20 -0.09 0.68 0.23 0.00 0.00 176.35 177.23 2p78 s VAL 150 N 1.59 0.67 0.62 -1.59 -7.23 -1.26 -5.11 120.40 108.09 2p78 s VAL 150 Ca 0.27 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.10 2p78 s VAL 150 Cb -0.16 -0.75 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 2p78 s VAL 150 CO 0.11 -0.37 1.24 -2.84 -0.31 0.00 0.00 175.10 172.92 2p78 s PRO 151 N -1.72 2.76 0.35 4.82 0.02 -1.26 -4.95 135.00 135.03 2p78 s PRO 151 Ca -0.07 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 62.57 2p78 s PRO 151 Cb -0.09 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 2p78 s PRO 151 CO 0.01 -1.39 1.39 -2.14 -0.33 0.00 0.00 177.00 174.53 2p78 s PRO 152 N -3.40 4.23 -0.02 5.54 0.02 -1.26 -2.03 135.00 138.09 2p78 s PRO 152 Ca 0.79 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.19 2p78 s PRO 152 Cb -0.33 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2p78 s PRO 152 CO 0.36 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 2p78 n GLY 153 N 0.64 0.47 3.84 0.52 0.00 -0.02 -4.75 105.19 105.89 2p78 n GLY 153 Ca 0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.25 4.87 0.12 1.61 1.04 -0.86 -4.74 113.70 113.49 2p78 s SER 154 Ca 0.00 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.60 2p78 s SER 154 Cb 0.00 -0.52 -0.04 0.00 0.10 0.00 0.00 66.02 65.56 2p78 s SER 154 CO 0.00 -0.64 -0.04 0.00 0.98 0.00 0.00 173.24 173.54 2p78 s ALA 155 N -2.52 1.08 -0.02 5.32 0.00 -0.18 -1.26 121.76 124.18 2p78 s ALA 155 Ca 0.46 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 2p78 s ALA 155 Cb -0.01 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.45 2p78 s ALA 155 CO 0.26 -0.27 0.02 0.14 0.00 0.00 0.00 175.76 175.91 2p78 s VAL 156 N -3.66 0.00 -0.15 0.00 -7.23 0.04 0.35 120.40 109.75 2p78 s VAL 156 Ca 0.16 0.20 -0.08 0.00 -1.81 0.00 0.00 61.98 60.45 2p78 s VAL 156 Cb 0.06 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.82 2p78 s VAL 156 CO -0.02 0.11 0.13 0.00 -0.31 0.00 0.00 175.10 175.01 2p78 s ALA 157 N 1.13 3.79 0.09 1.32 0.00 0.32 -0.59 121.76 127.81 2p78 s ALA 157 Ca -0.08 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2p78 s ALA 157 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 2p78 s ALA 157 CO -0.03 0.44 -0.11 0.14 0.00 0.00 0.00 175.76 176.20 2p78 s VAL 158 N -0.47 0.94 -0.97 0.00 -7.23 0.07 0.15 120.40 112.89 2p78 s VAL 158 Ca 0.12 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 2p78 s VAL 158 Cb -0.12 -1.25 0.21 0.00 0.56 0.00 0.00 36.38 35.78 2p78 s VAL 158 CO 0.02 -0.49 1.03 -0.62 -0.31 0.00 0.00 175.10 174.72 2p78 s ASP 159 N -2.27 6.91 0.23 4.85 2.15 0.18 -1.30 116.67 127.43 2p78 s ASP 159 Ca 0.03 -2.81 -0.30 0.00 0.43 0.00 0.00 52.55 49.91 2p78 s ASP 159 Cb -0.05 -2.28 -0.09 0.00 -0.30 0.00 0.00 42.92 40.21 2p78 s ASP 159 CO 0.00 -0.64 1.20 0.86 -0.17 0.00 0.00 175.17 176.43 2p78 s TRP 160 N 0.59 3.39 -0.80 -5.34 -0.11 -0.40 0.11 118.94 116.38 2p78 s TRP 160 Ca 0.28 1.46 0.00 0.00 1.22 0.00 0.00 56.10 59.06 2p78 s TRP 160 Cb -0.08 -3.45 0.35 0.00 -1.50 0.00 0.00 33.47 28.80 2p78 s TRP 160 CO -0.08 -1.21 1.72 -0.35 -4.62 0.00 0.00 176.95 172.42 2p78 n PRO 161 N 1.98 3.58 -0.04 5.86 -0.04 -1.26 -0.29 135.00 144.79 2p78 n PRO 161 Ca 0.03 -4.10 -0.09 0.00 -0.04 0.00 0.00 63.50 59.30 2p78 n PRO 161 Cb 0.44 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 2p78 n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p78 n ARG 162 N -0.39 0.18 -3.69 0.54 1.74 0.30 -5.02 116.66 110.33 2p78 n ARG 162 Ca 0.48 0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 57.55 2p78 n ARG 162 Cb 0.33 -0.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.94 2p78 n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2p78 s ARG 163 N -2.17 1.57 0.02 5.56 1.70 -0.79 -4.99 118.95 119.85 2p78 s ARG 163 Ca -0.12 -0.78 -0.22 0.00 -0.47 0.00 0.00 55.73 54.14 2p78 s ARG 163 Cb 0.04 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.96 2p78 s ARG 163 CO 0.15 -0.71 0.66 0.08 -1.08 0.00 0.00 175.30 174.40 2p78 s VAL 164 N -3.82 4.83 -0.23 4.99 1.01 -1.26 0.48 120.40 126.40 2p78 s VAL 164 Ca 0.07 1.39 -0.13 0.00 0.00 0.00 0.00 61.98 63.31 2p78 s VAL 164 Cb -0.04 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 32.17 2p78 s VAL 164 CO -0.01 0.40 -0.05 0.18 0.00 0.00 0.00 175.10 175.62 2p78 n LEU 165 N 2.72 2.18 -3.52 3.92 4.77 0.12 -4.85 117.00 122.35 2p78 n LEU 165 Ca -0.05 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2p78 n LEU 165 Cb 0.51 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2p78 n LEU 165 CO 0.45 0.58 0.57 0.54 -1.33 0.00 0.00 177.39 178.20 2p78 s VAL 166 N -2.47 0.00 -0.18 4.08 0.11 -0.97 -4.98 120.40 115.99 2p78 s VAL 166 Ca -0.33 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2p78 s VAL 166 Cb 0.10 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2p78 s VAL 166 CO 0.58 0.00 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.10 2p78 s ARG 167 N -1.79 3.25 -0.30 1.54 0.52 -1.26 -0.52 118.95 120.39 2p78 s ARG 167 Ca -0.04 -0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2p78 s ARG 167 Cb -0.00 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.75 2p78 s ARG 167 CO 0.02 -0.08 0.02 -1.17 0.02 0.00 0.00 175.30 174.11 2p78 s LEU 168 N 1.08 3.83 -0.10 2.53 2.96 0.15 -5.00 118.68 124.14 2p78 s LEU 168 Ca 0.00 -1.07 0.03 0.00 -0.22 0.00 0.00 54.13 52.87 2p78 s LEU 168 Cb -0.15 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2p78 s LEU 168 CO -0.03 -0.24 -0.20 0.00 -1.32 0.00 0.00 176.35 174.57 2p78 s ALA 169 N 1.34 2.36 0.08 5.97 0.00 -1.26 -1.01 121.76 129.23 2p78 s ALA 169 Ca -0.02 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.06 2p78 s ALA 169 Cb -0.19 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2p78 s ALA 169 CO -0.00 0.33 -0.17 -0.51 0.00 0.00 0.00 175.76 175.40 2p78 s LEU 170 N 0.14 2.71 0.00 0.00 1.43 -1.26 -5.08 118.68 116.62 2p78 s LEU 170 Ca -0.10 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2p78 s LEU 170 Cb -0.16 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2p78 s LEU 170 CO 0.06 0.22 0.43 0.47 0.23 0.00 0.00 176.35 177.76