#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p77 s GLU 2 N 0.00 3.78 -0.05 2.12 2.12 -1.26 -1.00 118.70 124.40 2p77 s GLU 2 Ca 0.00 1.54 0.03 0.00 0.36 0.00 0.00 54.97 56.90 2p77 s GLU 2 Cb 0.00 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2p77 s GLU 2 CO 0.00 -1.31 -0.14 -0.51 -0.54 0.00 0.00 175.26 172.75 2p77 s LEU 3 N 5.17 1.80 -0.34 2.70 1.43 -0.21 -2.82 118.68 126.41 2p77 s LEU 3 Ca 0.69 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 2p77 s LEU 3 Cb -0.23 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.12 2p77 s LEU 3 CO 0.29 0.09 0.16 0.26 0.23 0.00 0.00 176.35 177.38 2p77 s TRP 4 N 0.34 3.21 -0.21 0.29 0.52 -0.47 -0.68 118.94 121.93 2p77 s TRP 4 Ca -0.09 -0.86 -0.12 0.00 0.02 0.00 0.00 56.10 55.05 2p77 s TRP 4 Cb -0.13 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.77 2p77 s TRP 4 CO 0.03 -0.57 0.22 -0.51 0.02 0.00 0.00 176.95 176.14 2p77 s LEU 5 N 1.55 4.16 -0.15 2.99 1.02 0.79 0.51 118.68 129.55 2p77 s LEU 5 Ca 0.03 0.27 -0.01 0.00 0.02 0.00 0.00 54.13 54.44 2p77 s LEU 5 Cb -0.18 -2.22 -0.01 0.00 0.02 0.00 0.00 46.19 43.80 2p77 s LEU 5 CO 0.06 0.07 -0.12 -0.69 0.02 0.00 0.00 176.35 175.68 2p77 s VAL 6 N 0.89 3.04 -0.09 -1.59 1.01 0.40 -0.66 120.40 123.40 2p77 s VAL 6 Ca 0.11 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2p77 s VAL 6 Cb -0.13 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2p77 s VAL 6 CO 0.04 0.51 0.70 -0.60 0.00 0.00 0.00 175.10 175.75 2p77 s ARG 7 N 0.61 4.40 0.93 2.72 3.52 -0.31 -0.41 118.95 130.42 2p77 s ARG 7 Ca -0.07 0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 56.28 2p77 s ARG 7 Cb -0.15 -3.48 0.10 0.00 -1.56 0.00 0.00 34.95 29.86 2p77 s ARG 7 CO 0.03 -0.01 0.84 -2.39 -0.81 0.00 0.00 175.30 172.96 2p77 n HIS 8 N 4.08 -0.10 -0.87 5.12 1.44 -0.81 -0.67 115.22 123.41 2p77 n HIS 8 Ca -0.01 0.33 -0.31 0.00 -2.01 0.00 0.00 57.72 55.73 2p77 n HIS 8 Cb 0.51 -1.91 0.16 0.00 0.12 0.00 0.00 29.99 28.86 2p77 n HIS 8 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2p77 s GLY 9 N -2.37 1.66 0.63 -1.39 0.00 -1.26 -1.78 107.32 102.81 2p77 s GLY 9 Ca 0.63 0.35 -0.18 0.00 0.00 0.00 0.00 44.72 45.52 2p77 s GLY 9 CO 0.62 0.80 1.23 -1.83 0.00 0.00 0.00 173.10 173.92 2p77 s GLU 10 N -4.72 2.74 0.51 2.90 -1.05 -1.26 -4.78 118.70 113.03 2p77 s GLU 10 Ca 0.65 1.88 0.01 0.00 -0.15 0.00 0.00 54.97 57.36 2p77 s GLU 10 Cb -0.21 -1.89 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 2p77 s GLU 10 CO 0.58 -1.40 0.02 0.95 0.95 0.00 0.00 175.26 176.36 2p77 s THR 11 N -1.61 1.05 0.36 1.83 -4.23 -1.26 -1.71 115.64 110.07 2p77 s THR 11 Ca 0.78 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2p77 s THR 11 Cb -0.32 -2.14 0.16 0.00 1.34 0.00 0.00 72.50 71.54 2p77 s THR 11 CO 0.37 0.00 1.89 -0.07 -0.54 0.00 0.00 174.62 176.27 2p77 h LEU 12 N 1.38 0.36 0.00 4.79 3.38 -1.94 -2.67 115.31 120.60 2p77 h LEU 12 Ca -0.43 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2p77 h LEU 12 Cb 1.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2p77 h LEU 12 CO 0.72 0.47 0.00 0.79 0.09 0.00 0.00 178.44 180.51 2p77 n TRP 13 N -4.28 0.00 -0.04 1.13 7.02 -1.26 -2.15 117.44 117.87 2p77 n TRP 13 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 2p77 n TRP 13 Cb 0.26 -0.20 -0.12 0.00 -2.42 0.00 0.00 31.31 28.83 2p77 n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2p77 h ASN 14 N 0.00 0.11 0.61 -0.99 -1.24 -1.79 -1.60 115.58 110.68 2p77 h ASN 14 Ca 0.00 -0.79 -0.15 0.00 0.71 0.00 0.00 56.30 56.07 2p77 h ASN 14 Cb 0.11 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 2p77 h ASN 14 CO 0.00 0.89 -0.67 0.08 -1.29 0.00 0.00 177.43 176.44 2p77 h ARG 15 N -0.65 0.06 0.00 6.67 0.11 -1.68 -3.11 114.38 115.78 2p77 h ARG 15 Ca -0.02 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2p77 h ARG 15 Cb 0.91 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2p77 h ARG 15 CO 0.03 0.71 0.00 0.93 0.10 0.00 0.00 179.97 181.73 2p77 h GLU 16 N 0.04 0.00 -3.78 0.08 5.08 -1.48 -3.48 114.58 111.04 2p77 h GLU 16 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 2p77 h GLU 16 Cb 1.19 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.53 2p77 h GLU 16 CO 0.09 0.00 -0.39 0.41 -1.00 0.00 0.00 179.01 178.12 2p77 n GLY 17 N 0.79 0.08 3.53 -3.84 0.00 -0.65 -4.88 105.19 100.22 2p77 n GLY 17 Ca 0.03 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2p77 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p77 s ARG 18 N -5.29 2.31 -0.04 1.61 0.52 -0.93 -0.92 118.95 116.22 2p77 s ARG 18 Ca 0.18 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.24 2p77 s ARG 18 Cb -0.08 -2.35 -0.07 0.00 0.52 0.00 0.00 34.95 32.98 2p77 s ARG 18 CO 0.40 0.57 1.80 -0.51 0.02 0.00 0.00 175.30 177.57 2p77 s LEU 19 N -1.47 4.30 -0.35 2.53 1.43 0.46 -4.81 118.68 120.77 2p77 s LEU 19 Ca 0.16 2.34 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 2p77 s LEU 19 Cb -0.11 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.66 2p77 s LEU 19 CO 0.07 -1.04 0.09 -0.22 0.23 0.00 0.00 176.35 175.48 2p77 s LEU 20 N 4.46 4.58 0.00 1.79 2.96 -1.26 -0.06 118.68 131.16 2p77 s LEU 20 Ca 0.80 -1.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 2p77 s LEU 20 Cb -0.36 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2p77 s LEU 20 CO 0.34 -0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 2p77 n GLY 21 N 4.57 0.58 0.26 7.98 0.00 -1.26 -4.90 105.19 112.42 2p77 n GLY 21 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2p77 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p77 n TRP 22 N 0.00 0.00 -1.76 1.61 7.02 -1.26 -4.63 117.44 118.42 2p77 n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2p77 n TRP 22 Cb 0.00 -0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 28.75 2p77 n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2p77 s THR 23 N -2.38 3.05 -1.38 -0.99 2.01 -1.26 -4.86 115.64 109.82 2p77 s THR 23 Ca 0.29 0.20 -0.13 0.00 0.31 0.00 0.00 61.69 62.36 2p77 s THR 23 Cb 0.20 -3.13 0.09 0.00 0.01 0.00 0.00 72.50 69.67 2p77 s THR 23 CO 0.47 -0.01 2.06 -0.67 -0.69 0.00 0.00 174.62 175.78 2p77 n ASP 24 N 6.99 4.38 -4.83 3.53 2.03 -1.26 -4.99 116.55 122.41 2p77 n ASP 24 Ca 0.19 -2.94 -0.33 0.00 0.52 0.00 0.00 54.79 52.23 2p77 n ASP 24 Cb 0.41 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 2p77 n ASP 24 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2p77 s LEU 25 N 1.46 3.94 0.61 -2.67 1.43 -1.26 -4.90 118.68 117.29 2p77 s LEU 25 Ca 0.45 1.62 -0.05 0.00 -1.03 0.00 0.00 54.13 55.12 2p77 s LEU 25 Cb 0.12 -4.47 0.03 0.00 0.03 0.00 0.00 46.19 41.89 2p77 s LEU 25 CO -0.05 -0.35 0.90 -2.16 0.23 0.00 0.00 176.35 174.92 2p77 s PRO 26 N -3.20 2.66 0.60 1.29 0.04 -1.26 -3.67 135.00 131.45 2p77 s PRO 26 Ca 0.61 -0.23 -0.15 0.00 0.04 0.00 0.00 61.00 61.26 2p77 s PRO 26 Cb -0.09 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2p77 s PRO 26 CO 0.15 -0.83 1.05 -0.51 0.04 0.00 0.00 177.00 176.91 2p77 s LEU 27 N -5.00 3.47 0.74 -3.56 1.43 -1.26 -4.56 118.68 109.95 2p77 s LEU 27 Ca 0.56 1.79 -0.05 0.00 -1.03 0.00 0.00 54.13 55.40 2p77 s LEU 27 Cb -0.11 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.70 2p77 s LEU 27 CO 0.43 -1.16 1.03 0.42 0.23 0.00 0.00 176.35 177.30 2p77 s THR 28 N -2.51 2.20 0.18 5.49 -4.23 -0.70 -4.87 115.64 111.21 2p77 s THR 28 Ca 0.63 -0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 60.58 2p77 s THR 28 Cb -0.16 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 70.98 2p77 s THR 28 CO 0.38 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.26 2p77 h ALA 29 N -0.68 0.65 -0.72 3.99 0.00 -1.97 -1.13 119.26 119.41 2p77 h ALA 29 Ca -0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2p77 h ALA 29 Cb 1.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2p77 h ALA 29 CO 0.45 -0.03 0.25 1.49 0.00 0.00 0.00 179.25 181.41 2p77 h GLU 30 N 0.57 1.09 -0.80 0.00 4.57 -1.93 -1.93 114.58 116.15 2p77 h GLU 30 Ca 0.21 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2p77 h GLU 30 Cb 0.05 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2p77 h GLU 30 CO -0.11 0.91 0.53 0.78 -1.18 0.00 0.00 179.01 179.94 2p77 h GLY 31 N 1.10 1.12 1.23 1.92 0.00 -1.46 0.16 103.07 107.14 2p77 h GLY 31 Ca 0.24 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 2p77 h GLY 31 CO -0.01 0.36 -0.23 0.83 0.00 0.00 0.00 176.54 177.48 2p77 h GLU 32 N 1.01 0.88 -0.51 4.80 5.08 -0.67 -1.79 114.58 123.38 2p77 h GLU 32 Ca 0.31 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2p77 h GLU 32 Cb -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2p77 h GLU 32 CO -0.08 1.02 0.16 0.00 -1.00 0.00 0.00 179.01 179.10 2p77 h ALA 33 N 0.97 0.67 -0.99 3.43 0.00 -0.48 -1.20 119.26 121.66 2p77 h ALA 33 Ca 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2p77 h ALA 33 Cb 0.78 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2p77 h ALA 33 CO 0.06 0.33 0.64 1.96 0.00 0.00 0.00 179.25 182.25 2p77 h GLN 34 N 0.70 1.31 -0.30 0.00 4.20 -0.56 -1.73 115.11 118.74 2p77 h GLN 34 Ca 0.17 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2p77 h GLN 34 Cb 0.28 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2p77 h GLN 34 CO -0.00 0.87 0.08 0.00 -0.67 0.00 0.00 178.83 179.11 2p77 h ALA 35 N 1.35 0.39 -0.79 3.87 0.00 -0.88 -2.94 119.26 120.28 2p77 h ALA 35 Ca 0.36 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2p77 h ALA 35 Cb -0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 2p77 h ALA 35 CO -0.08 0.04 0.48 0.00 0.00 0.00 0.00 179.25 179.70 2p77 h ARG 36 N 0.32 0.87 0.00 0.00 3.08 -0.78 -1.36 114.38 116.51 2p77 h ARG 36 Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2p77 h ARG 36 Cb 0.27 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2p77 h ARG 36 CO -0.00 0.58 -0.05 0.00 -1.07 0.00 0.00 179.97 179.42 2p77 h ARG 37 N 0.90 0.00 0.00 0.04 3.08 -1.16 -1.54 114.38 115.70 2p77 h ARG 37 Ca 0.34 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 2p77 h ARG 37 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2p77 h ARG 37 CO -0.16 0.05 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.50 2p77 h LEU 38 N 0.00 0.00 -9.49 3.04 3.38 -1.08 -3.41 115.31 107.76 2p77 h LEU 38 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2p77 h LEU 38 Cb 0.15 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.93 2p77 h LEU 38 CO 0.01 0.23 0.96 -0.75 0.09 0.00 0.00 178.44 178.98 2p77 s LYS 39 N -3.78 4.21 0.00 1.13 2.20 -0.58 -1.26 119.74 121.66 2p77 s LYS 39 Ca -0.00 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 2p77 s LYS 39 Cb 0.11 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2p77 s LYS 39 CO 0.63 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2p77 n GLY 40 N 3.92 1.42 0.00 5.54 0.00 -1.26 -4.82 105.19 109.99 2p77 n GLY 40 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2p77 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p77 n ALA 41 N -1.11 3.26 -2.75 4.61 0.00 -0.39 -4.96 120.51 119.18 2p77 n ALA 41 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 2p77 n ALA 41 Cb 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 2p77 n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p77 s LEU 42 N -3.53 3.81 0.64 0.00 1.43 -1.09 -5.10 118.68 114.84 2p77 s LEU 42 Ca -0.01 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2p77 s LEU 42 Cb 0.11 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2p77 s LEU 42 CO 0.67 0.29 1.16 -2.16 0.23 0.00 0.00 176.35 176.55 2p77 s PRO 43 N -1.56 2.78 -1.11 1.29 0.04 -1.26 -4.92 135.00 130.26 2p77 s PRO 43 Ca 0.21 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 2p77 s PRO 43 Cb -0.12 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.58 2p77 s PRO 43 CO 0.11 -1.31 1.47 -1.12 0.04 0.00 0.00 177.00 176.20 2p77 s SER 44 N -2.04 6.69 0.27 6.66 0.01 -1.26 -4.93 113.70 119.10 2p77 s SER 44 Ca 0.73 -2.04 0.05 0.00 1.31 0.00 0.00 55.95 55.99 2p77 s SER 44 Cb -0.26 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.39 2p77 s SER 44 CO 0.38 -1.24 -0.02 -0.76 0.41 0.00 0.00 173.24 172.01 2p77 s LEU 45 N 3.92 2.34 0.51 2.44 1.43 -1.26 -5.11 118.68 122.95 2p77 s LEU 45 Ca 0.46 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 2p77 s LEU 45 Cb -0.00 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 2p77 s LEU 45 CO -0.03 -0.45 1.15 -2.65 0.23 0.00 0.00 176.35 174.60 2p77 n PRO 46 N -0.55 1.44 -4.62 1.29 -0.02 -1.26 -4.59 135.00 126.68 2p77 n PRO 46 Ca -0.05 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.67 2p77 n PRO 46 Cb 0.64 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 2p77 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p77 s ALA 47 N -1.33 2.19 0.07 3.55 0.00 -1.26 -0.98 121.76 124.00 2p77 s ALA 47 Ca 0.69 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.37 2p77 s ALA 47 Cb -0.47 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 2p77 s ALA 47 CO 0.52 0.50 -0.10 -0.06 0.00 0.00 0.00 175.76 176.63 2p77 s PHE 48 N -0.93 0.92 0.02 0.00 0.08 -0.20 -1.75 117.98 116.13 2p77 s PHE 48 Ca 0.12 -0.57 -0.19 0.00 0.12 0.00 0.00 56.93 56.40 2p77 s PHE 48 Cb -0.10 -0.52 0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2p77 s PHE 48 CO 0.04 -0.03 0.42 0.45 -0.10 0.00 0.00 175.22 175.99 2p77 s SER 49 N -2.00 -0.31 0.58 1.36 0.15 -0.56 -0.50 113.70 112.43 2p77 s SER 49 Ca -0.02 0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.54 2p77 s SER 49 Cb -0.07 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2p77 s SER 49 CO 0.00 -0.61 1.25 -0.55 1.20 0.00 0.00 173.24 174.54 2p77 s SER 50 N -1.76 5.20 0.00 5.45 0.15 -0.44 -1.02 113.70 121.28 2p77 s SER 50 Ca -0.08 2.51 0.30 0.00 0.70 0.00 0.00 55.95 59.39 2p77 s SER 50 Cb -0.02 -2.61 1.51 0.00 -1.71 0.00 0.00 66.02 63.19 2p77 s SER 50 CO 0.01 -1.59 2.01 -0.90 1.20 0.00 0.00 173.24 173.97 2p77 n ASP 51 N -1.40 0.43 -4.77 5.45 5.75 -1.25 -3.88 116.55 116.89 2p77 n ASP 51 Ca 0.13 -0.90 -0.39 0.00 -0.01 0.00 0.00 54.79 53.61 2p77 n ASP 51 Cb 0.48 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 2p77 n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p77 s LEU 52 N -2.18 4.40 0.21 -2.12 1.43 -1.26 -4.81 118.68 114.34 2p77 s LEU 52 Ca 0.39 2.32 -0.19 0.00 -1.03 0.00 0.00 54.13 55.62 2p77 s LEU 52 Cb 0.21 -3.79 0.19 0.00 0.03 0.00 0.00 46.19 42.82 2p77 s LEU 52 CO 0.40 -0.37 1.57 0.25 0.23 0.00 0.00 176.35 178.42 2p77 h LEU 53 N 3.30 -1.32 -1.71 1.79 5.85 -1.89 -0.96 115.31 120.37 2p77 h LEU 53 Ca -0.48 0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2p77 h LEU 53 Cb 1.22 0.68 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 2p77 h LEU 53 CO 0.65 -0.30 0.32 0.08 -0.34 0.00 0.00 178.44 178.86 2p77 h ARG 54 N -0.07 0.34 0.02 1.25 0.11 -1.92 0.92 114.38 115.02 2p77 h ARG 54 Ca 0.29 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.35 2p77 h ARG 54 Cb 0.58 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2p77 h ARG 54 CO -0.85 0.22 -0.01 0.00 0.10 0.00 0.00 179.97 179.43 2p77 h ALA 55 N 1.75 -0.03 -0.59 0.08 0.00 -1.50 -2.72 119.26 116.24 2p77 h ALA 55 Ca 0.21 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2p77 h ALA 55 Cb 0.39 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2p77 h ALA 55 CO -0.05 -0.08 0.22 0.00 0.00 0.00 0.00 179.25 179.34 2p77 h ARG 56 N -0.90 0.39 -0.64 0.00 3.08 -1.00 -0.20 114.38 115.11 2p77 h ARG 56 Ca -0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2p77 h ARG 56 Cb 0.74 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2p77 h ARG 56 CO 0.01 0.26 0.20 -0.09 -1.07 0.00 0.00 179.97 179.27 2p77 h ARG 57 N 0.40 0.97 -0.47 0.04 9.65 -0.94 -0.34 114.38 123.69 2p77 h ARG 57 Ca 0.30 -0.19 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 2p77 h ARG 57 Cb 0.36 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 2p77 h ARG 57 CO -0.30 0.83 0.08 1.15 2.80 0.00 0.00 179.97 184.53 2p77 h THR 58 N 0.94 1.25 -0.37 0.20 2.02 -0.96 -1.26 112.91 114.73 2p77 h THR 58 Ca 0.21 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2p77 h THR 58 Cb 0.27 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2p77 h THR 58 CO -0.01 0.32 0.24 0.00 0.37 0.00 0.00 175.52 176.44 2p77 h ALA 59 N 0.96 0.47 0.34 6.16 0.00 -0.59 -1.12 119.26 125.49 2p77 h ALA 59 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2p77 h ALA 59 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2p77 h ALA 59 CO 0.01 -0.05 -0.21 1.49 0.00 0.00 0.00 179.25 180.49 2p77 h GLU 60 N 0.50 -0.52 0.00 0.00 4.81 -0.88 -0.68 114.58 117.81 2p77 h GLU 60 Ca 0.14 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2p77 h GLU 60 Cb -0.03 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2p77 h GLU 60 CO -0.03 -0.34 0.00 0.52 -0.73 0.00 0.00 179.01 178.43 2p77 h MET 61 N -0.54 0.00 -0.01 1.92 2.86 -1.15 -1.17 114.93 116.85 2p77 h MET 61 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2p77 h MET 61 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2p77 h MET 61 CO 0.03 0.00 -0.11 0.00 1.06 0.00 0.00 176.91 177.90 2p77 n ALA 62 N -1.97 2.78 -0.33 6.32 0.00 -0.43 -4.09 120.51 122.78 2p77 n ALA 62 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2p77 n ALA 62 Cb 0.20 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2p77 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p77 n GLY 63 N 1.25 0.89 3.58 0.00 0.00 -0.44 -4.00 105.19 106.46 2p77 n GLY 63 Ca 0.16 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2p77 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p77 s PHE 64 N -2.00 2.50 -0.53 1.61 0.40 -0.30 -5.03 117.98 114.62 2p77 s PHE 64 Ca 0.00 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 2p77 s PHE 64 Cb 0.00 -1.27 0.22 0.00 0.51 0.00 0.00 43.02 42.48 2p77 s PHE 64 CO 0.00 0.59 0.55 0.43 0.70 0.00 0.00 175.22 177.49 2p77 n SER 65 N -0.83 1.73 -4.81 1.36 7.64 -1.26 -3.90 113.62 113.54 2p77 n SER 65 Ca -0.05 -2.97 -0.33 0.00 1.01 0.00 0.00 58.87 56.53 2p77 n SER 65 Cb 0.61 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 2p77 n SER 65 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2p77 s PRO 66 N -1.41 3.61 0.14 1.43 0.04 -1.26 -4.81 135.00 132.74 2p77 s PRO 66 Ca 0.34 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 2p77 s PRO 66 Cb 0.10 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2p77 s PRO 66 CO -0.11 -0.57 0.88 0.50 0.04 0.00 0.00 177.00 177.74 2p77 s ARG 67 N -3.92 4.66 0.06 4.56 3.52 -0.72 -4.82 118.95 122.29 2p77 s ARG 67 Ca 0.63 1.32 -0.21 0.00 -0.13 0.00 0.00 55.73 57.33 2p77 s ARG 67 Cb -0.14 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 2p77 s ARG 67 CO 0.32 0.37 0.63 -0.51 -0.81 0.00 0.00 175.30 175.30 2p77 s LEU 68 N -0.50 4.50 -0.08 -0.88 1.43 -1.26 -1.49 118.68 120.39 2p77 s LEU 68 Ca 0.41 1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2p77 s LEU 68 Cb -0.23 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.03 2p77 s LEU 68 CO 0.28 0.18 0.09 -0.31 0.23 0.00 0.00 176.35 176.83 2p77 s TYR 69 N -0.72 0.03 0.31 0.29 1.51 -0.19 -4.93 117.35 113.65 2p77 s TYR 69 Ca 0.32 0.23 0.37 0.00 -1.01 0.00 0.00 57.07 56.97 2p77 s TYR 69 Cb -0.20 -0.47 1.89 0.00 -0.11 0.00 0.00 41.96 43.07 2p77 s TYR 69 CO 0.20 -0.28 2.12 -1.35 -1.11 0.00 0.00 175.55 175.13 2p77 h PRO 70 N 8.42 0.00 0.00 -1.71 0.11 -1.95 -1.87 132.00 135.00 2p77 h PRO 70 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2p77 h PRO 70 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2p77 h PRO 70 CO 0.18 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.90 2p77 h GLU 71 N 0.00 0.00 -0.29 1.05 3.07 -1.94 -1.63 114.58 114.84 2p77 h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p77 h GLU 71 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2p77 h GLU 71 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2p77 n LEU 72 N -2.57 2.54 -4.77 1.33 4.77 -0.70 -4.42 117.00 113.18 2p77 n LEU 72 Ca -0.00 -1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 54.56 2p77 n LEU 72 Cb 0.14 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2p77 n LEU 72 CO 0.18 0.55 0.72 -0.13 -1.33 0.00 0.00 177.39 177.37 2p77 s ARG 73 N -1.63 2.45 1.06 3.23 0.52 -0.62 -4.25 118.95 119.71 2p77 s ARG 73 Ca 0.35 1.29 -0.12 0.00 -0.52 0.00 0.00 55.73 56.73 2p77 s ARG 73 Cb 0.20 -1.91 0.22 0.00 0.52 0.00 0.00 34.95 33.98 2p77 s ARG 73 CO 0.28 -1.51 1.07 -2.00 0.02 0.00 0.00 175.30 173.16 2p77 s GLU 74 N -4.52 -0.06 0.58 3.54 2.56 -1.26 -4.86 118.70 114.67 2p77 s GLU 74 Ca 0.64 0.87 -0.20 0.00 0.00 0.00 0.00 54.97 56.28 2p77 s GLU 74 Cb -0.19 -1.65 -0.04 0.00 2.00 0.00 0.00 34.13 34.25 2p77 s GLU 74 CO 0.50 -3.15 1.23 -1.50 -0.56 0.00 0.00 175.26 171.77 2p77 s ILE 75 N -2.66 2.58 -0.45 -3.70 2.07 -1.26 -4.76 121.20 113.01 2p77 s ILE 75 Ca 0.67 0.38 -0.24 0.00 -1.41 0.00 0.00 60.65 60.04 2p77 s ILE 75 Cb -0.22 -3.16 0.03 0.00 0.13 0.00 0.00 42.46 39.23 2p77 s ILE 75 CO 0.61 -0.06 0.87 -2.28 -1.91 0.00 0.00 174.94 172.17 2p77 s HIS 76 N -1.54 2.95 -1.53 3.50 5.65 -1.26 -4.22 115.29 118.83 2p77 s HIS 76 Ca 0.76 0.30 0.24 0.00 0.25 0.00 0.00 55.06 56.61 2p77 s HIS 76 Cb -0.32 -3.84 1.27 0.00 -1.18 0.00 0.00 32.58 28.51 2p77 s HIS 76 CO 0.35 -1.05 1.81 1.19 -0.65 0.00 0.00 174.74 176.39 2p77 n PHE 77 N 6.98 0.00 0.00 3.88 3.72 -1.26 -0.93 117.46 129.84 2p77 n PHE 77 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2p77 n PHE 77 Cb 0.48 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2p77 n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p77 n GLY 78 N 0.72 3.44 0.13 1.37 0.00 -1.26 -0.74 105.19 108.85 2p77 n GLY 78 Ca 0.13 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.22 2p77 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p77 n ALA 79 N 11.02 1.25 1.28 4.61 0.00 0.15 -1.51 120.51 137.30 2p77 n ALA 79 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.70 2p77 n ALA 79 Cb 0.00 -1.31 0.41 0.00 0.00 0.00 0.00 19.45 18.55 2p77 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2p77 n LEU 80 N -2.16 1.74 -4.71 0.00 4.77 0.08 -4.87 117.00 111.85 2p77 n LEU 80 Ca -0.00 -0.67 -0.43 0.00 -0.03 0.00 0.00 56.01 54.88 2p77 n LEU 80 Cb 0.10 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2p77 n LEU 80 CO 0.12 0.34 1.34 -0.62 -1.33 0.00 0.00 177.39 177.24 2p77 n GLU 81 N 0.36 2.64 -0.98 3.23 -0.58 -0.57 -1.65 120.64 123.09 2p77 n GLU 81 Ca 0.17 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.87 2p77 n GLU 81 Cb 0.36 -2.79 0.00 0.00 -0.57 0.00 0.00 31.44 28.45 2p77 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p77 n GLY 82 N 3.87 1.00 3.76 0.62 0.00 0.92 -4.97 105.19 110.40 2p77 n GLY 82 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2p77 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p77 s ALA 83 N -3.92 3.42 0.14 4.61 0.00 -0.66 -4.56 121.76 120.79 2p77 s ALA 83 Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 2p77 s ALA 83 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2p77 s ALA 83 CO 0.00 -0.41 1.28 -0.51 0.00 0.00 0.00 175.76 176.12 2p77 s LEU 84 N -1.72 4.40 0.20 0.00 1.43 -1.26 -0.40 118.68 121.33 2p77 s LEU 84 Ca 0.48 2.25 -0.10 0.00 -1.03 0.00 0.00 54.13 55.73 2p77 s LEU 84 Cb -0.35 -3.60 0.22 0.00 0.03 0.00 0.00 46.19 42.50 2p77 s LEU 84 CO 0.46 -0.52 1.80 -0.25 0.23 0.00 0.00 176.35 178.08 2p77 h TRP 85 N 6.09 0.63 -0.72 0.29 2.91 -1.37 -2.59 115.95 121.19 2p77 h TRP 85 Ca -0.43 0.02 0.16 0.00 1.13 0.00 0.00 58.89 59.77 2p77 h TRP 85 Cb 1.21 -0.19 -0.13 0.00 -0.51 0.00 0.00 29.16 29.55 2p77 h TRP 85 CO 0.64 0.30 -0.02 1.49 -1.03 0.00 0.00 178.44 179.82 2p77 h GLU 86 N 0.64 0.09 -0.50 2.65 4.81 -1.91 -1.32 114.58 119.05 2p77 h GLU 86 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2p77 h GLU 86 Cb 0.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2p77 h GLU 86 CO -0.18 0.06 0.00 0.25 -0.73 0.00 0.00 179.01 178.41 2p77 n THR 87 N -5.35 0.75 -2.19 0.32 -2.24 -1.00 -4.94 114.28 99.64 2p77 n THR 87 Ca 0.12 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 2p77 n THR 87 Cb 0.43 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 2p77 n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2p77 s LEU 88 N -1.08 4.42 0.26 3.22 2.96 -0.50 -4.93 118.68 123.03 2p77 s LEU 88 Ca 0.32 2.46 -0.30 0.00 -0.22 0.00 0.00 54.13 56.39 2p77 s LEU 88 Cb 0.17 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 43.11 2p77 s LEU 88 CO 0.20 -0.53 1.32 -0.67 -1.32 0.00 0.00 176.35 175.35 2p77 n ASP 89 N 2.32 2.49 -0.38 3.68 -0.08 -1.26 -4.68 116.55 118.65 2p77 n ASP 89 Ca 0.05 1.16 0.30 0.00 -1.51 0.00 0.00 54.79 54.80 2p77 n ASP 89 Cb 0.42 -1.41 0.60 0.00 2.34 0.00 0.00 41.12 43.07 2p77 n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2p77 h PRO 90 N 3.54 0.21 -0.73 -0.67 0.11 -1.97 0.19 132.00 132.67 2p77 h PRO 90 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2p77 h PRO 90 Cb 1.29 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2p77 h PRO 90 CO 0.71 0.14 0.22 0.07 -0.21 0.00 0.00 178.00 178.92 2p77 h ARG 91 N 0.22 1.15 -0.21 1.05 0.11 -1.99 -0.77 114.38 113.93 2p77 h ARG 91 Ca 0.68 -0.25 -0.16 0.00 0.10 0.00 0.00 59.98 60.35 2p77 h ARG 91 Cb 2.06 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.98 2p77 h ARG 91 CO -0.30 0.98 -0.49 1.88 0.10 0.00 0.00 179.97 182.14 2p77 h TYR 92 N 1.10 0.89 -0.61 4.08 0.05 -1.00 -1.88 116.97 119.60 2p77 h TYR 92 Ca 0.24 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.69 2p77 h TYR 92 Cb 0.32 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 2p77 h TYR 92 CO 0.03 1.13 0.40 0.87 -1.05 0.00 0.00 178.16 179.53 2p77 h LYS 93 N 0.40 0.79 -0.37 4.88 1.57 -1.20 -1.07 116.57 121.56 2p77 h LYS 93 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2p77 h LYS 93 Cb 1.10 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2p77 h LYS 93 CO 0.11 0.52 0.17 1.49 -0.57 0.00 0.00 179.45 181.17 2p77 h GLU 94 N 0.81 0.54 -0.83 3.15 4.57 -1.11 0.13 114.58 121.84 2p77 h GLU 94 Ca 0.23 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2p77 h GLU 94 Cb -0.08 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 2p77 h GLU 94 CO -0.06 0.48 0.51 0.00 -1.18 0.00 0.00 179.01 178.77 2p77 h ALA 95 N 1.02 1.05 -0.22 2.92 0.00 -1.01 0.66 119.26 123.69 2p77 h ALA 95 Ca 0.13 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 2p77 h ALA 95 Cb 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2p77 h ALA 95 CO -0.02 0.50 -0.63 -0.07 0.00 0.00 0.00 179.25 179.03 2p77 h LEU 96 N 1.13 0.90 -0.34 0.00 3.38 -0.98 0.22 115.31 119.62 2p77 h LEU 96 Ca 0.30 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2p77 h LEU 96 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2p77 h LEU 96 CO -0.06 1.31 0.08 -0.07 0.09 0.00 0.00 178.44 179.80 2p77 h LEU 97 N 0.58 0.52 -0.25 1.67 3.38 -0.39 -2.69 115.31 118.13 2p77 h LEU 97 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2p77 h LEU 97 Cb 1.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2p77 h LEU 97 CO 0.13 0.62 -0.12 0.54 0.09 0.00 0.00 178.44 179.70 2p77 n ARG 98 N -4.62 0.68 -3.64 1.13 1.74 0.20 -4.95 116.66 107.19 2p77 n ARG 98 Ca -0.02 -0.25 -0.22 0.00 -0.77 0.00 0.00 57.85 56.60 2p77 n ARG 98 Cb 0.20 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.20 2p77 n ARG 98 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2p77 n PHE 99 N -0.95 -2.19 -3.48 -1.55 7.35 0.63 -4.99 117.46 112.28 2p77 n PHE 99 Ca 0.14 0.90 -0.15 0.00 -0.76 0.00 0.00 57.45 57.58 2p77 n PHE 99 Cb 0.28 -4.62 -0.04 0.00 0.35 0.00 0.00 39.48 35.46 2p77 n PHE 99 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2p77 s GLN 100 N -5.95 1.16 -1.31 -4.13 -2.07 -0.24 -4.99 119.66 102.14 2p77 s GLN 100 Ca 0.19 -0.10 -0.02 0.00 -1.82 0.00 0.00 55.36 53.61 2p77 s GLN 100 Cb -0.09 0.54 0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2p77 s GLN 100 CO 0.78 -0.44 0.83 0.41 -1.32 0.00 0.00 175.29 175.56 2p77 n GLY 101 N 0.29 -0.34 3.12 2.60 0.00 -1.26 -4.47 105.19 105.13 2p77 n GLY 101 Ca -0.18 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2p77 n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p77 s PHE 102 N -3.53 2.97 -0.42 1.61 5.36 -1.26 -4.83 117.98 117.88 2p77 s PHE 102 Ca 0.11 -1.82 0.04 0.00 -0.96 0.00 0.00 56.93 54.30 2p77 s PHE 102 Cb -0.05 -1.95 0.17 0.00 -0.34 0.00 0.00 43.02 40.85 2p77 s PHE 102 CO 0.79 -0.81 0.39 -1.58 -1.46 0.00 0.00 175.22 172.55 2p77 s HIS 103 N 1.24 0.40 0.43 10.12 2.46 -1.26 -0.95 115.29 127.73 2p77 s HIS 103 Ca 0.00 -1.74 -0.25 0.00 0.47 0.00 0.00 55.06 53.54 2p77 s HIS 103 Cb -0.16 -0.64 -0.08 0.00 -0.13 0.00 0.00 32.58 31.57 2p77 s HIS 103 CO -0.09 -0.92 1.33 -1.25 -2.47 0.00 0.00 174.74 171.34 2p77 s PRO 104 N 0.51 3.83 0.29 2.88 0.04 -1.26 -4.93 135.00 136.35 2p77 s PRO 104 Ca 0.28 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 2p77 s PRO 104 Cb -0.03 -2.68 -0.12 0.00 0.04 0.00 0.00 34.50 31.71 2p77 s PRO 104 CO -0.12 -0.63 1.47 -2.30 0.04 0.00 0.00 177.00 175.46 2p77 n PRO 105 N -0.07 2.37 -1.10 0.56 -0.02 -1.26 -1.06 135.00 134.43 2p77 n PRO 105 Ca 0.05 0.84 -0.03 0.00 -2.02 0.00 0.00 63.50 62.34 2p77 n PRO 105 Cb 0.43 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2p77 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p77 n GLY 106 N 1.83 0.46 0.00 -1.23 0.00 -1.26 -0.67 105.19 104.31 2p77 n GLY 106 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2p77 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p77 n GLY 107 N -0.46 7.70 3.59 -0.02 0.00 -0.23 -4.18 105.19 111.59 2p77 n GLY 107 Ca -0.03 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2p77 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p77 s GLU 108 N 1.02 2.79 0.53 1.61 2.12 -0.11 -4.84 118.70 121.82 2p77 s GLU 108 Ca 0.00 -0.53 -0.16 0.00 0.36 0.00 0.00 54.97 54.64 2p77 s GLU 108 Cb 0.00 -2.62 -0.07 0.00 0.26 0.00 0.00 34.13 31.70 2p77 s GLU 108 CO 0.00 0.66 1.00 -1.54 -0.54 0.00 0.00 175.26 174.84 2p77 s SER 109 N -0.80 6.51 0.43 -1.70 1.04 -1.26 -4.39 113.70 113.53 2p77 s SER 109 Ca 0.12 1.59 0.12 0.00 0.48 0.00 0.00 55.95 58.25 2p77 s SER 109 Cb -0.11 -2.51 0.95 0.00 0.10 0.00 0.00 66.02 64.45 2p77 s SER 109 CO 0.02 -0.67 2.00 -0.07 0.98 0.00 0.00 173.24 175.50 2p77 h LEU 110 N 0.79 0.16 -0.39 2.42 3.38 -1.45 -0.74 115.31 119.49 2p77 h LEU 110 Ca -0.47 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 2p77 h LEU 110 Cb 1.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2p77 h LEU 110 CO 0.61 0.25 -0.05 0.77 0.09 0.00 0.00 178.44 180.11 2p77 h SER 111 N 0.18 0.73 0.25 -0.43 4.64 -1.93 -0.85 113.55 116.15 2p77 h SER 111 Ca 0.04 -0.34 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 2p77 h SER 111 Cb 0.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2p77 h SER 111 CO 0.01 0.89 -0.46 0.00 -0.87 0.00 0.00 176.83 176.40 2p77 h ALA 112 N 0.86 1.02 -0.19 5.18 0.00 -1.82 -1.69 119.26 122.62 2p77 h ALA 112 Ca 0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2p77 h ALA 112 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2p77 h ALA 112 CO 0.03 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.31 2p77 h PHE 113 N 0.21 0.32 -0.59 0.00 3.57 -0.94 -1.34 116.94 118.17 2p77 h PHE 113 Ca 0.01 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2p77 h PHE 113 Cb 0.90 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2p77 h PHE 113 CO 0.02 0.43 0.29 1.96 -2.23 0.00 0.00 178.31 178.78 2p77 h GLN 114 N 0.12 0.84 -0.59 1.11 4.20 -1.02 -1.08 115.11 118.69 2p77 h GLN 114 Ca 0.06 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.68 2p77 h GLN 114 Cb 0.27 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2p77 h GLN 114 CO 0.00 0.68 0.36 1.49 -0.67 0.00 0.00 178.83 180.69 2p77 h GLU 115 N 0.80 0.69 -0.12 1.46 4.81 -1.13 0.72 114.58 121.81 2p77 h GLU 115 Ca 0.20 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2p77 h GLU 115 Cb 0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2p77 h GLU 115 CO -0.03 0.46 0.07 -0.09 -0.73 0.00 0.00 179.01 178.69 2p77 h ARG 116 N 0.71 0.17 0.08 1.92 2.43 -0.95 -1.08 114.38 117.66 2p77 h ARG 116 Ca 0.24 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2p77 h ARG 116 Cb 0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2p77 h ARG 116 CO -0.10 0.18 -0.04 0.28 -1.51 0.00 0.00 179.97 178.78 2p77 h VAL 117 N 0.10 1.06 -0.09 0.20 2.07 -0.86 -2.44 116.25 116.30 2p77 h VAL 117 Ca 0.04 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2p77 h VAL 117 Cb 0.06 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2p77 h VAL 117 CO -0.01 0.13 -0.27 -0.26 0.02 0.00 0.00 177.57 177.18 2p77 h PHE 118 N -0.35 0.17 -0.36 1.57 0.04 -0.88 -1.40 116.94 115.73 2p77 h PHE 118 Ca -0.01 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 2p77 h PHE 118 Cb 0.29 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2p77 h PHE 118 CO 0.00 0.42 -0.30 -0.09 -0.60 0.00 0.00 178.31 177.74 2p77 h ARG 119 N 0.14 0.77 -0.20 1.51 2.43 -1.16 -0.65 114.38 117.21 2p77 h ARG 119 Ca 0.02 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2p77 h ARG 119 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2p77 h ARG 119 CO 0.04 0.96 0.03 0.35 -1.51 0.00 0.00 179.97 179.85 2p77 h PHE 120 N 0.65 0.35 -0.72 2.20 3.57 -0.92 -2.81 116.94 119.26 2p77 h PHE 120 Ca 0.08 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2p77 h PHE 120 Cb 0.82 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 2p77 h PHE 120 CO 0.04 0.47 0.30 -0.07 -2.23 0.00 0.00 178.31 176.83 2p77 h LEU 121 N 0.13 0.96 -1.99 0.59 3.38 -1.15 -2.20 115.31 115.02 2p77 h LEU 121 Ca 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2p77 h LEU 121 Cb 0.31 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2p77 h LEU 121 CO 0.00 0.84 -0.02 -0.08 0.09 0.00 0.00 178.44 179.28 2p77 h GLU 122 N 1.04 0.00 0.00 1.13 4.22 -1.00 -1.89 114.58 118.08 2p77 h GLU 122 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.68 2p77 h GLU 122 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2p77 h GLU 122 CO -0.02 0.02 0.00 0.41 -2.18 0.00 0.00 179.01 177.23 2p77 n GLY 123 N -1.47 -1.58 3.65 1.92 0.00 -0.83 -4.76 105.19 102.12 2p77 n GLY 123 Ca -0.03 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2p77 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p77 s LEU 124 N -3.81 4.07 0.00 0.99 1.43 -0.71 -4.89 118.68 115.75 2p77 s LEU 124 Ca 0.12 1.50 0.24 0.00 -1.03 0.00 0.00 54.13 54.96 2p77 s LEU 124 Cb 0.15 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 43.10 2p77 s LEU 124 CO 0.55 -0.88 1.28 0.29 0.23 0.00 0.00 176.35 177.83 2p77 n LYS 125 N 6.86 1.70 -3.71 1.70 4.76 -1.26 -4.96 118.16 123.24 2p77 n LYS 125 Ca 0.14 -1.34 -0.11 0.00 -2.87 0.00 0.00 58.31 54.13 2p77 n LYS 125 Cb 0.45 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 2p77 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2p77 s ALA 126 N -2.23 -0.75 0.33 7.82 0.00 -1.26 -5.14 121.76 120.53 2p77 s ALA 126 Ca 0.25 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 2p77 s ALA 126 Cb 0.19 0.48 -0.13 0.00 0.00 0.00 0.00 23.12 23.66 2p77 s ALA 126 CO 0.43 -0.51 0.91 -2.30 0.00 0.00 0.00 175.76 174.28 2p77 n PRO 127 N 0.18 1.16 -3.61 0.00 -0.02 -1.26 -4.95 135.00 126.49 2p77 n PRO 127 Ca -0.17 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 2p77 n PRO 127 Cb 0.61 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.29 2p77 n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p77 s ALA 128 N -1.16 -1.44 -0.16 3.55 0.00 -1.13 -4.23 121.76 117.20 2p77 s ALA 128 Ca 0.61 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 2p77 s ALA 128 Cb -0.67 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2p77 s ALA 128 CO 0.59 -0.89 -0.02 0.08 0.00 0.00 0.00 175.76 175.52 2p77 s VAL 129 N -3.82 4.03 -0.24 0.00 1.01 -0.15 -1.36 120.40 119.87 2p77 s VAL 129 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2p77 s VAL 129 Cb -0.03 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2p77 s VAL 129 CO -0.04 0.49 -0.09 -0.76 0.00 0.00 0.00 175.10 174.70 2p77 s LEU 130 N 0.29 3.11 -0.37 3.92 1.43 0.18 -1.03 118.68 126.21 2p77 s LEU 130 Ca -0.02 -0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 51.88 2p77 s LEU 130 Cb -0.14 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2p77 s LEU 130 CO 0.02 -0.13 0.77 -0.36 0.23 0.00 0.00 176.35 176.88 2p77 s PHE 131 N 1.27 3.10 0.00 0.29 0.08 0.35 -0.45 117.98 122.62 2p77 s PHE 131 Ca -0.01 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.51 2p77 s PHE 131 Cb -0.17 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 2p77 s PHE 131 CO -0.06 -0.76 0.00 -2.37 -0.10 0.00 0.00 175.22 171.94 2p77 n THR 132 N 5.81 0.00 -4.48 0.64 5.66 0.45 -1.32 114.28 121.04 2p77 n THR 132 Ca 0.02 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.79 2p77 n THR 132 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 2p77 n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2p77 s HIS 133 N 0.76 2.17 0.27 1.09 3.76 -1.26 -1.92 115.29 120.17 2p77 s HIS 133 Ca 0.00 -0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2p77 s HIS 133 Cb 0.00 -1.22 0.54 0.00 1.11 0.00 0.00 32.58 33.01 2p77 s HIS 133 CO 0.00 0.45 1.78 0.78 -0.85 0.00 0.00 174.74 176.90 2p77 h GLY 134 N 2.17 1.46 1.73 -2.22 0.00 -1.94 -1.33 103.07 102.94 2p77 h GLY 134 Ca -0.41 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 2p77 h GLY 134 CO 0.68 0.02 -0.22 -1.33 0.00 0.00 0.00 176.54 175.69 2p77 h GLY 135 N 0.73 0.35 0.67 4.60 0.00 -1.96 0.69 103.07 108.14 2p77 h GLY 135 Ca 0.47 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 2p77 h GLY 135 CO -0.33 0.23 -0.17 -2.08 0.00 0.00 0.00 176.54 174.20 2p77 h VAL 136 N 0.29 1.39 -0.76 4.60 2.07 -1.61 -0.80 116.25 121.43 2p77 h VAL 136 Ca 0.05 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2p77 h VAL 136 Cb 0.55 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 2p77 h VAL 136 CO 0.04 0.41 0.47 0.58 0.02 0.00 0.00 177.57 179.09 2p77 h VAL 137 N -0.16 1.21 -0.62 2.57 2.07 -1.16 -1.82 116.25 118.35 2p77 h VAL 137 Ca 0.01 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2p77 h VAL 137 Cb 0.74 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2p77 h VAL 137 CO 0.04 0.21 0.16 -0.09 0.02 0.00 0.00 177.57 177.91 2p77 h ARG 138 N 1.03 0.98 -0.67 1.57 2.43 -0.79 0.67 114.38 119.60 2p77 h ARG 138 Ca 0.27 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2p77 h ARG 138 Cb -0.07 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 2p77 h ARG 138 CO -0.05 0.88 0.44 0.00 -1.51 0.00 0.00 179.97 179.73 2p77 h ALA 139 N 1.05 0.85 -0.01 2.80 0.00 -0.68 0.18 119.26 123.45 2p77 h ALA 139 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2p77 h ALA 139 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2p77 h ALA 139 CO -0.00 0.27 -0.00 0.28 0.00 0.00 0.00 179.25 179.80 2p77 h VAL 140 N 0.90 1.25 -0.39 0.00 2.07 -1.07 -1.59 116.25 117.42 2p77 h VAL 140 Ca 0.25 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2p77 h VAL 140 Cb -0.10 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2p77 h VAL 140 CO -0.06 0.19 0.25 -0.07 0.02 0.00 0.00 177.57 177.91 2p77 h LEU 141 N -0.30 0.46 -0.96 2.57 3.38 -0.62 -1.93 115.31 117.91 2p77 h LEU 141 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2p77 h LEU 141 Cb 0.32 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2p77 h LEU 141 CO 0.00 0.35 0.59 0.03 0.09 0.00 0.00 178.44 179.50 2p77 h ARG 142 N 0.52 1.29 0.00 1.13 3.08 -0.40 -0.06 114.38 119.95 2p77 h ARG 142 Ca 0.14 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2p77 h ARG 142 Cb -0.04 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.73 2p77 h ARG 142 CO -0.03 0.88 -0.10 0.00 -1.07 0.00 0.00 179.97 179.66 2p77 h ALA 143 N 1.33 1.16 -0.54 0.04 0.00 -0.90 -1.17 119.26 119.18 2p77 h ALA 143 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2p77 h ALA 143 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2p77 h ALA 143 CO -0.07 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2p77 n LEU 144 N -3.44 4.54 -0.57 0.00 4.77 -0.39 -4.93 117.00 116.99 2p77 n LEU 144 Ca -0.01 -2.30 -0.07 0.00 -0.03 0.00 0.00 56.01 53.60 2p77 n LEU 144 Cb 0.25 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2p77 n LEU 144 CO 0.29 0.66 -0.07 0.61 -1.33 0.00 0.00 177.39 177.54 2p77 n GLY 145 N 0.83 0.79 3.28 -0.72 0.00 -0.44 -4.79 105.19 104.14 2p77 n GLY 145 Ca 0.23 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2p77 n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p77 s GLU 146 N -2.85 1.14 -0.00 1.61 2.02 -0.17 -4.99 118.70 115.46 2p77 s GLU 146 Ca 0.00 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.27 2p77 s GLU 146 Cb 0.00 -0.92 -0.07 0.00 0.10 0.00 0.00 34.13 33.24 2p77 s GLU 146 CO 0.00 0.15 1.81 0.34 0.02 0.00 0.00 175.26 177.59 2p77 s ASP 147 N -2.94 6.55 -0.31 -0.19 2.15 -1.26 -2.62 116.67 118.05 2p77 s ASP 147 Ca 0.16 2.47 -0.03 0.00 0.43 0.00 0.00 52.55 55.58 2p77 s ASP 147 Cb -0.01 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2p77 s ASP 147 CO 0.04 -0.99 2.69 0.61 -0.17 0.00 0.00 175.17 177.35 2p77 n GLY 148 N 4.33 3.95 3.23 2.66 0.00 -1.26 -4.86 105.19 113.23 2p77 n GLY 148 Ca 0.18 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 2p77 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p77 s LEU 149 N -1.58 3.41 0.00 0.99 1.43 -1.26 -3.88 118.68 117.79 2p77 s LEU 149 Ca 0.50 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2p77 s LEU 149 Cb 0.32 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 2p77 s LEU 149 CO -0.12 -0.15 -0.07 0.68 0.23 0.00 0.00 176.35 176.92 2p77 s VAL 150 N 1.36 0.51 0.78 -1.59 -7.23 -1.26 -5.14 120.40 107.83 2p77 s VAL 150 Ca 0.00 -0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 2p77 s VAL 150 Cb -0.17 -0.46 0.07 0.00 0.56 0.00 0.00 36.38 36.37 2p77 s VAL 150 CO -0.03 0.05 1.14 -2.16 -0.31 0.00 0.00 175.10 173.80 2p77 s PRO 151 N -0.40 1.99 0.39 4.82 0.04 -1.26 -4.94 135.00 135.63 2p77 s PRO 151 Ca 0.00 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 2p77 s PRO 151 Cb -0.04 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 2p77 s PRO 151 CO -0.00 -1.89 1.49 -2.14 0.04 0.00 0.00 177.00 174.50 2p77 s PRO 152 N -4.40 4.06 -0.55 0.56 0.02 -1.26 -2.02 135.00 131.40 2p77 s PRO 152 Ca 0.67 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.27 2p77 s PRO 152 Cb -0.23 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2p77 s PRO 152 CO 0.51 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 2p77 n GLY 153 N 0.45 0.77 3.80 0.52 0.00 0.16 -4.74 105.19 106.14 2p77 n GLY 153 Ca 0.01 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 2p77 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p77 s SER 154 N -2.69 4.77 0.13 1.61 1.04 -0.86 -4.77 113.70 112.93 2p77 s SER 154 Ca 0.00 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2p77 s SER 154 Cb 0.00 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 2p77 s SER 154 CO 0.00 -0.53 -0.02 0.00 0.98 0.00 0.00 173.24 173.68 2p77 s ALA 155 N -2.50 1.07 -0.03 5.32 0.00 -0.10 -1.16 121.76 124.37 2p77 s ALA 155 Ca 0.43 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2p77 s ALA 155 Cb -0.01 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.58 2p77 s ALA 155 CO 0.25 -0.32 0.05 0.08 0.00 0.00 0.00 175.76 175.82 2p77 s VAL 156 N -3.73 -0.06 -0.13 0.00 1.01 0.17 0.16 120.40 117.82 2p77 s VAL 156 Ca 0.18 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 2p77 s VAL 156 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 2p77 s VAL 156 CO -0.01 0.09 0.07 0.00 0.00 0.00 0.00 175.10 175.25 2p77 s ALA 157 N 1.15 3.51 0.08 5.51 0.00 0.53 -0.15 121.76 132.39 2p77 s ALA 157 Ca -0.08 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2p77 s ALA 157 Cb -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2p77 s ALA 157 CO -0.03 0.44 -0.09 0.14 0.00 0.00 0.00 175.76 176.21 2p77 s VAL 158 N -0.44 0.82 -0.98 0.00 -7.23 0.14 0.34 120.40 113.05 2p77 s VAL 158 Ca 0.10 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 2p77 s VAL 158 Cb -0.12 -1.23 0.20 0.00 0.56 0.00 0.00 36.38 35.80 2p77 s VAL 158 CO 0.02 -0.55 1.05 -0.62 -0.31 0.00 0.00 175.10 174.69 2p77 s ASP 159 N -2.31 6.92 0.21 4.85 2.15 0.10 -1.04 116.67 127.55 2p77 s ASP 159 Ca 0.03 -2.80 -0.30 0.00 0.43 0.00 0.00 52.55 49.91 2p77 s ASP 159 Cb -0.03 -2.29 -0.08 0.00 -0.30 0.00 0.00 42.92 40.21 2p77 s ASP 159 CO -0.01 -0.65 1.17 0.86 -0.17 0.00 0.00 175.17 176.37 2p77 s TRP 160 N 0.68 3.46 -0.75 -5.34 -0.11 -0.17 0.11 118.94 116.82 2p77 s TRP 160 Ca 0.29 1.50 -0.00 0.00 1.22 0.00 0.00 56.10 59.11 2p77 s TRP 160 Cb -0.07 -3.39 0.37 0.00 -1.50 0.00 0.00 33.47 28.87 2p77 s TRP 160 CO -0.07 -1.02 1.80 -0.35 -4.62 0.00 0.00 176.95 172.68 2p77 n PRO 161 N 2.13 2.94 -0.08 5.86 -0.04 -1.26 -0.25 135.00 144.30 2p77 n PRO 161 Ca 0.03 -3.78 -0.18 0.00 -0.04 0.00 0.00 63.50 59.53 2p77 n PRO 161 Cb 0.45 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 2p77 n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p77 n ARG 162 N -0.52 0.35 -3.62 0.54 1.74 0.31 -5.00 116.66 110.46 2p77 n ARG 162 Ca 0.50 0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 57.64 2p77 n ARG 162 Cb 0.34 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 30.67 2p77 n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2p77 s ARG 163 N -2.30 1.41 0.14 5.56 1.70 -0.83 -4.98 118.95 119.65 2p77 s ARG 163 Ca -0.23 -0.66 -0.24 0.00 -0.47 0.00 0.00 55.73 54.13 2p77 s ARG 163 Cb 0.09 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.95 2p77 s ARG 163 CO 0.29 -0.63 0.75 0.08 -1.08 0.00 0.00 175.30 174.71 2p77 s VAL 164 N -3.71 4.44 -0.27 4.99 1.01 -1.26 0.00 120.40 125.61 2p77 s VAL 164 Ca 0.06 1.64 -0.08 0.00 0.00 0.00 0.00 61.98 63.59 2p77 s VAL 164 Cb -0.03 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 2p77 s VAL 164 CO -0.04 0.52 -0.31 0.18 0.00 0.00 0.00 175.10 175.44 2p77 n LEU 165 N 1.71 2.31 -3.56 3.92 4.77 0.15 -4.84 117.00 121.47 2p77 n LEU 165 Ca -0.06 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 2p77 n LEU 165 Cb 0.49 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2p77 n LEU 165 CO 0.46 0.70 0.64 0.54 -1.33 0.00 0.00 177.39 178.40 2p77 s VAL 166 N -2.51 0.00 -0.13 4.08 0.11 -0.94 -4.98 120.40 116.03 2p77 s VAL 166 Ca -0.38 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2p77 s VAL 166 Cb 0.13 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 2p77 s VAL 166 CO 0.53 0.00 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.03 2p77 s ARG 167 N -1.05 3.37 -0.15 1.54 0.52 -1.26 -0.35 118.95 121.57 2p77 s ARG 167 Ca -0.05 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2p77 s ARG 167 Cb -0.01 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.87 2p77 s ARG 167 CO 0.04 0.21 -0.20 -1.17 0.02 0.00 0.00 175.30 174.21 2p77 s LEU 168 N 0.35 2.03 -0.03 2.53 2.96 0.12 -5.00 118.68 121.64 2p77 s LEU 168 Ca -0.11 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2p77 s LEU 168 Cb -0.16 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.14 2p77 s LEU 168 CO 0.06 0.03 -0.11 0.00 -1.32 0.00 0.00 176.35 175.00 2p77 s ALA 169 N 1.10 1.05 0.12 5.97 0.00 -1.26 -0.92 121.76 127.81 2p77 s ALA 169 Ca -0.01 -0.41 0.10 0.00 0.00 0.00 0.00 51.96 51.64 2p77 s ALA 169 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2p77 s ALA 169 CO -0.07 0.17 -0.24 -0.51 0.00 0.00 0.00 175.76 175.10 2p77 s LEU 170 N 0.22 2.44 0.00 0.00 1.43 -1.26 -5.09 118.68 116.42 2p77 s LEU 170 Ca -0.05 -0.67 0.21 0.00 -1.03 0.00 0.00 54.13 52.60 2p77 s LEU 170 Cb -0.10 -1.34 0.17 0.00 0.03 0.00 0.00 46.19 44.95 2p77 s LEU 170 CO 0.01 0.19 1.16 0.47 0.23 0.00 0.00 176.35 178.42