#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 4.16 -0.04 2.12 2.12 -1.26 -1.69 118.70 124.12 2p77 s GLU 2 Ca 0.00 2.45 0.02 0.00 0.36 0.00 0.00 54.97 57.80 2p77 s GLU 2 Cb 0.00 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.57 2p77 s GLU 2 CO 0.00 -0.84 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.28 2p77 s LEU 3 N 3.44 1.63 -0.30 2.70 1.43 -0.42 -2.33 118.68 124.83 2p77 s LEU 3 Ca 0.80 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.61 2p77 s LEU 3 Cb -0.41 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2p77 s LEU 3 CO 0.35 0.03 0.14 0.26 0.23 0.00 0.00 176.35 177.36 2p77 s TRP 4 N 0.49 3.17 -0.33 0.29 0.52 0.07 -0.72 118.94 122.43 2p77 s TRP 4 Ca -0.08 -0.58 -0.17 0.00 0.02 0.00 0.00 56.10 55.29 2p77 s TRP 4 Cb -0.12 -2.33 -0.01 0.00 -1.15 0.00 0.00 33.47 29.86 2p77 s TRP 4 CO 0.01 -0.45 0.44 -0.51 0.02 0.00 0.00 176.95 176.46 2p77 s LEU 5 N 1.61 4.33 -0.19 2.99 2.01 0.53 0.73 118.68 130.68 2p77 s LEU 5 Ca 0.05 -0.04 -0.03 0.00 0.01 0.00 0.00 54.13 54.11 2p77 s LEU 5 Cb -0.17 -2.48 -0.01 0.00 0.01 0.00 0.00 46.19 43.54 2p77 s LEU 5 CO 0.06 -0.38 -0.05 -0.69 1.01 0.00 0.00 176.35 176.29 2p77 s VAL 6 N 2.21 3.49 -0.17 -1.59 1.01 0.30 -1.03 120.40 124.63 2p77 s VAL 6 Ca 0.16 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2p77 s VAL 6 Cb -0.16 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2p77 s VAL 6 CO 0.12 0.45 0.64 -0.60 0.00 0.00 0.00 175.10 175.71 2p77 s ARG 7 N 1.07 4.26 0.85 2.72 3.52 -0.21 -0.29 118.95 130.86 2p77 s ARG 7 Ca 0.01 0.67 -0.13 0.00 -0.13 0.00 0.00 55.73 56.15 2p77 s ARG 7 Cb -0.15 -3.55 0.05 0.00 -1.56 0.00 0.00 34.95 29.75 2p77 s ARG 7 CO -0.00 -0.17 0.81 -2.39 -0.81 0.00 0.00 175.30 172.74 2p77 n HIS 8 N 4.76 -0.03 -0.64 5.12 1.44 -0.97 -0.37 115.22 124.53 2p77 n HIS 8 Ca -0.01 0.34 -0.30 0.00 -2.01 0.00 0.00 57.72 55.74 2p77 n HIS 8 Cb 0.50 -1.96 0.21 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 -2.01 1.62 0.66 -1.39 0.00 -1.26 -1.89 107.32 103.04 2p77 s GLY 9 Ca 0.66 0.25 -0.16 0.00 0.00 0.00 0.00 44.72 45.47 2p77 s GLY 9 CO 0.58 0.81 1.16 -1.83 0.00 0.00 0.00 173.10 173.82 2p77 s GLU 10 N -4.57 2.69 0.47 2.90 -1.05 -1.26 -4.77 118.70 113.11 2p77 s GLU 10 Ca 0.67 1.60 0.02 0.00 -0.15 0.00 0.00 54.97 57.12 2p77 s GLU 10 Cb -0.24 -1.92 -0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2p77 s GLU 10 CO 0.61 -1.38 0.05 0.95 0.95 0.00 0.00 175.26 176.44 2p77 s THR 11 N -2.04 0.94 0.42 1.83 -4.23 -1.26 -1.82 115.64 109.49 2p77 s THR 11 Ca 0.72 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.34 2p77 s THR 11 Cb -0.25 -2.24 0.20 0.00 1.34 0.00 0.00 72.50 71.55 2p77 s THR 11 CO 0.39 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.39 2p77 h LEU 12 N 1.52 0.19 0.00 4.79 3.38 -1.94 -2.54 115.31 120.71 2p77 h LEU 12 Ca -0.41 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2p77 h LEU 12 Cb 1.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2p77 h LEU 12 CO 0.67 0.29 0.00 0.79 0.09 0.00 0.00 178.44 180.28 2p77 n TRP 13 N -4.36 0.00 -0.03 1.13 7.02 -1.26 -2.12 117.44 117.83 2p77 n TRP 13 Ca -0.01 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.31 2p77 n TRP 13 Cb 0.20 -0.19 -0.13 0.00 -2.42 0.00 0.00 31.31 28.78 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 0.17 0.84 -0.99 -1.24 -1.75 -1.62 115.58 110.99 2p77 h ASN 14 Ca 0.00 -0.95 -0.12 0.00 0.71 0.00 0.00 56.30 55.93 2p77 h ASN 14 Cb 0.13 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 2p77 h ASN 14 CO 0.00 1.11 -0.59 0.08 -1.29 0.00 0.00 177.43 176.74 2p77 h ARG 15 N -0.74 0.00 0.00 6.67 0.11 -1.69 -3.00 114.38 115.74 2p77 h ARG 15 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2p77 h ARG 15 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2p77 h ARG 15 CO 0.05 0.59 -0.04 0.39 0.10 0.00 0.00 179.97 181.06 2p77 n GLU 16 N -3.59 0.09 -3.32 0.08 1.02 -0.90 -4.96 120.64 109.06 2p77 n GLU 16 Ca -0.00 0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.03 2p77 n GLU 16 Cb 0.64 -1.60 0.08 0.00 -0.02 0.00 0.00 31.44 30.54 2p77 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p77 n GLY 17 N 1.44 -0.29 3.44 0.62 0.00 -0.78 -4.90 105.19 104.72 2p77 n GLY 17 Ca 0.06 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.53 2.04 0.05 1.61 0.52 -0.68 -1.24 118.95 115.72 2p77 s ARG 18 Ca 0.18 -0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 2p77 s ARG 18 Cb -0.08 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 2p77 s ARG 18 CO 0.64 0.54 1.85 -0.51 0.02 0.00 0.00 175.30 177.83 2p77 s LEU 19 N -1.37 4.40 -0.26 2.53 1.43 0.03 -4.75 118.68 120.68 2p77 s LEU 19 Ca 0.14 2.62 0.03 0.00 -1.03 0.00 0.00 54.13 55.88 2p77 s LEU 19 Cb -0.10 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.63 2p77 s LEU 19 CO 0.04 -1.00 -0.09 -0.22 0.23 0.00 0.00 176.35 175.32 2p77 s LEU 20 N 3.67 3.42 0.00 1.79 2.96 -1.26 0.55 118.68 129.81 2p77 s LEU 20 Ca 0.82 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 2p77 s LEU 20 Cb -0.42 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 44.77 2p77 s LEU 20 CO 0.37 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 2p77 n GLY 21 N 4.45 0.64 0.50 7.98 0.00 -1.26 -4.90 105.19 112.60 2p77 n GLY 21 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.99 1.61 7.02 -1.26 -4.59 117.44 118.23 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 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 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 -2.21 3.48 -1.45 -0.99 2.01 -1.26 -4.88 115.64 110.35 2p77 s THR 23 Ca 0.30 0.66 -0.12 0.00 0.31 0.00 0.00 61.69 62.83 2p77 s THR 23 Cb 0.20 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2p77 s THR 23 CO 0.41 -0.05 2.27 -0.67 -0.69 0.00 0.00 174.62 175.89 2p77 n ASP 24 N 6.84 4.84 -4.81 3.53 2.03 -1.26 -4.98 116.55 122.75 2p77 n ASP 24 Ca 0.17 -2.86 -0.34 0.00 0.52 0.00 0.00 54.79 52.28 2p77 n ASP 24 Cb 0.42 -1.61 -0.05 0.00 -0.72 0.00 0.00 41.12 39.16 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 1.39 3.95 0.62 -2.67 1.43 -1.26 -4.86 118.68 117.28 2p77 s LEU 25 Ca 0.49 1.82 -0.05 0.00 -1.03 0.00 0.00 54.13 55.35 2p77 s LEU 25 Cb 0.14 -4.48 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2p77 s LEU 25 CO -0.07 -0.50 0.92 -2.16 0.23 0.00 0.00 176.35 174.78 2p77 s PRO 26 N -3.06 2.62 0.54 1.29 0.04 -1.26 -3.67 135.00 131.51 2p77 s PRO 26 Ca 0.63 -0.18 -0.17 0.00 0.04 0.00 0.00 61.00 61.32 2p77 s PRO 26 Cb -0.13 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 2p77 s PRO 26 CO 0.17 -0.89 1.02 -0.51 0.04 0.00 0.00 177.00 176.84 2p77 s LEU 27 N -5.05 3.60 0.85 -3.56 1.43 -1.26 -4.53 118.68 110.16 2p77 s LEU 27 Ca 0.56 1.73 -0.10 0.00 -1.03 0.00 0.00 54.13 55.29 2p77 s LEU 27 Cb -0.11 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.74 2p77 s LEU 27 CO 0.44 -0.86 1.18 0.42 0.23 0.00 0.00 176.35 177.75 2p77 s THR 28 N -2.45 2.08 0.29 5.49 -4.23 -0.75 -4.86 115.64 111.20 2p77 s THR 28 Ca 0.62 -0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2p77 s THR 28 Cb -0.13 -2.87 0.17 0.00 1.34 0.00 0.00 72.50 71.01 2p77 s THR 28 CO 0.32 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.25 2p77 h ALA 29 N -1.14 1.26 -0.19 3.99 0.00 -1.97 -1.77 119.26 119.45 2p77 h ALA 29 Ca -0.42 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 2p77 h ALA 29 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2p77 h ALA 29 CO 0.44 0.52 -0.45 1.49 0.00 0.00 0.00 179.25 181.25 2p77 h GLU 30 N 0.79 0.46 -0.42 0.00 4.57 -1.93 -2.18 114.58 115.87 2p77 h GLU 30 Ca 0.18 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2p77 h GLU 30 Cb 0.25 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2p77 h GLU 30 CO -0.01 0.82 0.07 0.78 -1.18 0.00 0.00 179.01 179.49 2p77 h GLY 31 N 1.14 0.68 1.23 1.92 0.00 -1.52 0.03 103.07 106.56 2p77 h GLY 31 Ca 0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2p77 h GLY 31 CO 0.08 0.36 -0.50 0.83 0.00 0.00 0.00 176.54 177.32 2p77 h GLU 32 N 0.62 0.81 -0.70 4.80 5.08 -1.05 -2.01 114.58 122.13 2p77 h GLU 32 Ca 0.14 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2p77 h GLU 32 Cb 0.29 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2p77 h GLU 32 CO 0.00 1.12 0.20 0.00 -1.00 0.00 0.00 179.01 179.33 2p77 h ALA 33 N 0.79 1.03 -0.67 3.43 0.00 -0.88 -0.64 119.26 122.32 2p77 h ALA 33 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2p77 h ALA 33 Cb 1.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2p77 h ALA 33 CO 0.11 0.65 0.42 1.96 0.00 0.00 0.00 179.25 182.39 2p77 h GLN 34 N 1.04 0.90 -0.55 0.00 4.20 -0.81 -1.78 115.11 118.11 2p77 h GLN 34 Ca 0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 2p77 h GLN 34 Cb 0.32 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2p77 h GLN 34 CO -0.00 0.62 0.19 0.00 -0.67 0.00 0.00 178.83 178.96 2p77 h ALA 35 N 1.23 0.72 -0.54 3.87 0.00 -0.77 -2.76 119.26 121.00 2p77 h ALA 35 Ca 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2p77 h ALA 35 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2p77 h ALA 35 CO -0.05 0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.83 2p77 h ARG 36 N 0.76 0.76 0.00 0.00 3.08 -0.74 -2.07 114.38 116.17 2p77 h ARG 36 Ca 0.18 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2p77 h ARG 36 Cb 0.25 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2p77 h ARG 36 CO -0.01 0.59 -0.12 0.00 -1.07 0.00 0.00 179.97 179.36 2p77 h ARG 37 N 0.76 0.00 0.00 0.04 3.08 -1.04 -2.25 114.38 114.97 2p77 h ARG 37 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2p77 h ARG 37 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2p77 h ARG 37 CO -0.03 0.12 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.84 2p77 h LEU 38 N 0.00 0.00 -1.73 3.04 3.38 -1.29 -3.16 115.31 115.54 2p77 h LEU 38 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2p77 h LEU 38 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2p77 h LEU 38 CO 0.02 0.08 0.30 0.50 0.09 0.00 0.00 178.44 179.42 2p77 h LYS 39 N 0.00 0.32 -0.51 1.13 3.64 -1.46 -0.49 116.57 119.21 2p77 h LYS 39 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2p77 h LYS 39 Cb 0.71 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2p77 h LYS 39 CO 0.01 0.21 0.00 0.41 -2.27 0.00 0.00 179.45 177.81 2p77 n GLY 40 N -1.53 1.14 0.00 5.01 0.00 -1.20 -4.40 105.19 104.21 2p77 n GLY 40 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.40 1.97 -1.96 4.61 0.00 -0.27 -5.09 120.51 120.17 2p77 n ALA 41 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 2p77 n ALA 41 Cb 0.42 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.63 4.42 0.58 0.00 1.43 -0.72 -5.00 118.68 115.76 2p77 s LEU 42 Ca 0.00 2.46 -0.18 0.00 -1.03 0.00 0.00 54.13 55.38 2p77 s LEU 42 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 2p77 s LEU 42 CO 0.00 -0.54 1.11 -2.16 0.23 0.00 0.00 176.35 174.99 2p77 s PRO 43 N -0.35 3.21 -1.33 1.29 0.04 -1.26 -4.91 135.00 131.69 2p77 s PRO 43 Ca 0.56 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 2p77 s PRO 43 Cb -0.37 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 2p77 s PRO 43 CO 0.40 -0.94 3.03 -1.13 0.04 0.00 0.00 177.00 178.40 2p77 n SER 44 N -1.72 8.13 -4.96 6.66 3.41 -1.26 -4.91 113.62 118.97 2p77 n SER 44 Ca 0.11 -2.61 -0.23 0.00 -0.26 0.00 0.00 58.87 55.88 2p77 n SER 44 Cb 0.52 -1.52 0.02 0.00 -0.26 0.00 0.00 64.21 62.97 2p77 n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p77 s LEU 45 N -0.08 3.46 0.31 1.04 1.43 -1.26 -5.02 118.68 118.56 2p77 s LEU 45 Ca 0.68 0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 2p77 s LEU 45 Cb 0.21 -3.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.20 2p77 s LEU 45 CO -0.06 -0.91 1.30 -2.65 0.23 0.00 0.00 176.35 174.27 2p77 n PRO 46 N -2.24 2.05 -4.69 1.29 -0.02 -1.26 -4.51 135.00 125.62 2p77 n PRO 46 Ca 0.04 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 2p77 n PRO 46 Cb 0.58 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.80 2.72 0.08 3.55 0.00 -1.26 -0.95 121.76 125.10 2p77 s ALA 47 Ca 0.59 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.51 2p77 s ALA 47 Cb -0.60 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2p77 s ALA 47 CO 0.59 0.58 -0.12 -0.06 0.00 0.00 0.00 175.76 176.74 2p77 s PHE 48 N -0.88 1.10 -0.06 0.00 0.40 -0.46 -1.28 117.98 116.80 2p77 s PHE 48 Ca 0.14 -0.54 -0.20 0.00 -0.60 0.00 0.00 56.93 55.73 2p77 s PHE 48 Cb -0.11 -0.61 0.04 0.00 0.51 0.00 0.00 43.02 42.86 2p77 s PHE 48 CO 0.04 0.03 0.47 0.45 0.70 0.00 0.00 175.22 176.91 2p77 s SER 49 N -2.02 -0.41 0.55 1.36 0.15 0.10 -0.94 113.70 112.49 2p77 s SER 49 Ca 0.00 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.93 2p77 s SER 49 Cb -0.07 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.71 2p77 s SER 49 CO 0.01 -0.44 1.02 -0.24 1.20 0.00 0.00 173.24 174.79 2p77 n SER 50 N 1.48 1.12 -0.13 5.45 2.88 -0.21 -1.59 113.62 122.62 2p77 n SER 50 Ca -0.19 0.88 0.15 0.00 -1.33 0.00 0.00 58.87 58.38 2p77 n SER 50 Cb 0.56 -1.40 0.77 0.00 -0.75 0.00 0.00 64.21 63.39 2p77 n SER 50 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2p77 n ASP 51 N -0.46 0.43 -4.77 -3.46 5.75 -1.26 -3.85 116.55 108.94 2p77 n ASP 51 Ca 0.12 -0.95 -0.39 0.00 -0.01 0.00 0.00 54.79 53.56 2p77 n ASP 51 Cb 0.45 -0.04 -0.01 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 -2.15 4.20 0.22 -2.12 1.43 -1.26 -4.82 118.68 114.17 2p77 s LEU 52 Ca 0.40 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.92 2p77 s LEU 52 Cb 0.21 -3.96 0.29 0.00 0.03 0.00 0.00 46.19 42.77 2p77 s LEU 52 CO 0.39 -0.79 1.64 0.25 0.23 0.00 0.00 176.35 178.07 2p77 h LEU 53 N 2.64 -0.43 -1.67 1.79 5.85 -1.88 -1.37 115.31 120.25 2p77 h LEU 53 Ca -0.49 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2p77 h LEU 53 Cb 1.24 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 2p77 h LEU 53 CO 0.62 -0.17 0.18 0.08 -0.34 0.00 0.00 178.44 178.82 2p77 h ARG 54 N 0.06 0.40 0.04 1.25 0.11 -1.92 0.10 114.38 114.42 2p77 h ARG 54 Ca 0.33 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 60.29 2p77 h ARG 54 Cb 0.53 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.53 2p77 h ARG 54 CO -0.61 0.28 -0.39 0.00 0.10 0.00 0.00 179.97 179.35 2p77 h ALA 55 N 1.79 -0.00 -0.96 0.08 0.00 -1.62 -2.63 119.26 115.93 2p77 h ALA 55 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2p77 h ALA 55 Cb -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2p77 h ALA 55 CO -0.02 0.18 0.63 0.00 0.00 0.00 0.00 179.25 180.04 2p77 h ARG 56 N -0.52 1.25 -0.20 0.00 3.08 -0.97 -1.25 114.38 115.79 2p77 h ARG 56 Ca -0.06 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 2p77 h ARG 56 Cb 1.21 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2p77 h ARG 56 CO 0.08 0.83 -0.44 -0.09 -1.07 0.00 0.00 179.97 179.28 2p77 h ARG 57 N 1.29 0.48 -0.50 0.04 9.65 -0.89 -1.42 114.38 123.03 2p77 h ARG 57 Ca 0.35 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.93 2p77 h ARG 57 Cb -0.14 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2p77 h ARG 57 CO -0.08 0.83 0.12 1.15 2.80 0.00 0.00 179.97 184.79 2p77 h THR 58 N 0.39 1.24 -0.47 0.20 2.02 -1.04 -1.63 112.91 113.63 2p77 h THR 58 Ca 0.03 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2p77 h THR 58 Cb 0.93 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2p77 h THR 58 CO 0.08 0.30 0.30 0.00 0.37 0.00 0.00 175.52 176.58 2p77 h ALA 59 N 0.99 0.59 0.15 6.16 0.00 -0.95 -1.07 119.26 125.14 2p77 h ALA 59 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2p77 h ALA 59 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2p77 h ALA 59 CO 0.00 0.06 -0.07 1.49 0.00 0.00 0.00 179.25 180.72 2p77 h GLU 60 N 0.63 -0.20 0.00 0.00 4.81 -1.08 0.71 114.58 119.46 2p77 h GLU 60 Ca 0.17 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2p77 h GLU 60 Cb -0.05 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2p77 h GLU 60 CO -0.04 -0.11 0.00 0.52 -0.73 0.00 0.00 179.01 178.65 2p77 h MET 61 N -0.23 0.00 -0.01 1.92 2.86 -1.19 -0.43 114.93 117.86 2p77 h MET 61 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2p77 h MET 61 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2p77 h MET 61 CO 0.03 0.00 -0.04 0.00 1.06 0.00 0.00 176.91 177.96 2p77 n ALA 62 N -2.02 2.68 -0.30 6.32 0.00 -0.42 -4.05 120.51 122.73 2p77 n ALA 62 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2p77 n ALA 62 Cb 0.26 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.16 0.82 3.60 0.00 0.00 -0.17 -4.01 105.19 106.59 2p77 n GLY 63 Ca 0.19 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 2.60 -0.61 1.61 0.40 0.21 -5.01 117.98 115.18 2p77 s PHE 64 Ca 0.00 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2p77 s PHE 64 Cb 0.00 -1.15 0.19 0.00 0.51 0.00 0.00 43.02 42.57 2p77 s PHE 64 CO 0.00 0.64 0.52 0.45 0.70 0.00 0.00 175.22 177.52 2p77 n SER 65 N -0.77 2.27 -4.82 1.36 2.88 -1.26 -3.61 113.62 109.67 2p77 n SER 65 Ca -0.06 -3.05 -0.32 0.00 -1.33 0.00 0.00 58.87 54.10 2p77 n SER 65 Cb 0.59 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.36 2p77 n SER 65 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2p77 s PRO 66 N -1.34 3.42 0.02 -1.46 0.04 -1.26 -4.86 135.00 129.55 2p77 s PRO 66 Ca 0.30 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2p77 s PRO 66 Cb 0.03 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2p77 s PRO 66 CO -0.14 -0.72 0.99 1.03 0.04 0.00 0.00 177.00 178.20 2p77 s ARG 67 N -4.23 4.57 -0.01 4.56 0.52 -0.41 -4.82 118.95 119.13 2p77 s ARG 67 Ca 0.62 1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 57.03 2p77 s ARG 67 Cb -0.14 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 2p77 s ARG 67 CO 0.39 -0.03 0.69 -0.51 0.02 0.00 0.00 175.30 175.86 2p77 s LEU 68 N 0.90 4.39 -0.09 2.53 1.43 -1.26 -0.72 118.68 125.85 2p77 s LEU 68 Ca 0.52 1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 2p77 s LEU 68 Cb -0.22 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2p77 s LEU 68 CO 0.28 -0.02 0.06 -0.31 0.23 0.00 0.00 176.35 176.60 2p77 s TYR 69 N 0.26 0.22 -0.09 0.29 1.51 -0.62 -4.93 117.35 113.99 2p77 s TYR 69 Ca 0.36 -0.01 0.27 0.00 -1.01 0.00 0.00 57.07 56.68 2p77 s TYR 69 Cb -0.19 -0.61 1.37 0.00 -0.11 0.00 0.00 41.96 42.42 2p77 s TYR 69 CO 0.19 -0.32 1.82 -1.35 -1.11 0.00 0.00 175.55 174.79 2p77 h PRO 70 N 8.41 0.00 0.00 -1.71 0.11 -1.95 -1.74 132.00 135.12 2p77 h PRO 70 Ca -0.14 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 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 0.21 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 178.91 2p77 h GLU 71 N 0.00 0.00 -0.10 1.05 3.07 -1.94 -1.72 114.58 114.94 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 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2p77 h GLU 71 CO 0.00 0.02 0.00 1.28 -1.40 0.00 0.00 179.01 178.91 2p77 n LEU 72 N -3.17 1.39 -4.76 1.33 4.77 -0.65 -4.37 117.00 111.53 2p77 n LEU 72 Ca -0.01 -0.54 -0.34 0.00 -0.03 0.00 0.00 56.01 55.09 2p77 n LEU 72 Cb 0.20 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2p77 n LEU 72 CO 0.25 0.27 0.77 -0.13 -1.33 0.00 0.00 177.39 177.21 2p77 s ARG 73 N -1.89 2.88 1.05 3.23 0.52 -0.65 -4.23 118.95 119.86 2p77 s ARG 73 Ca 0.35 1.52 -0.12 0.00 -0.52 0.00 0.00 55.73 56.96 2p77 s ARG 73 Cb 0.18 -1.95 0.22 0.00 0.52 0.00 0.00 34.95 33.92 2p77 s ARG 73 CO 0.29 -1.21 1.07 -2.00 0.02 0.00 0.00 175.30 173.47 2p77 s GLU 74 N -3.81 -0.01 0.55 3.54 2.56 -1.26 -4.87 118.70 115.39 2p77 s GLU 74 Ca 0.70 1.01 -0.21 0.00 0.00 0.00 0.00 54.97 56.48 2p77 s GLU 74 Cb -0.23 -1.65 -0.05 0.00 2.00 0.00 0.00 34.13 34.21 2p77 s GLU 74 CO 0.38 -3.17 1.26 -1.50 -0.56 0.00 0.00 175.26 171.67 2p77 s ILE 75 N -2.61 2.47 -0.37 -3.70 2.07 -1.26 -4.74 121.20 113.06 2p77 s ILE 75 Ca 0.67 0.33 -0.25 0.00 -1.41 0.00 0.00 60.65 59.99 2p77 s ILE 75 Cb -0.23 -3.15 0.01 0.00 0.13 0.00 0.00 42.46 39.22 2p77 s ILE 75 CO 0.61 -0.03 0.86 -2.28 -1.91 0.00 0.00 174.94 172.20 2p77 s HIS 76 N -1.45 3.09 -1.49 3.50 5.65 -1.26 -4.19 115.29 119.13 2p77 s HIS 76 Ca 0.73 0.66 0.30 0.00 0.25 0.00 0.00 55.06 57.00 2p77 s HIS 76 Cb -0.34 -3.55 1.53 0.00 -1.18 0.00 0.00 32.58 29.03 2p77 s HIS 76 CO 0.40 -0.80 2.05 1.19 -0.65 0.00 0.00 174.74 176.92 2p77 n PHE 77 N 6.63 0.00 0.00 3.88 3.72 -1.26 -0.63 117.46 129.81 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 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.20 3.52 0.07 1.37 0.00 -1.26 -0.65 105.19 109.43 2p77 n GLY 78 Ca 0.15 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 11.36 1.39 1.49 4.61 0.00 -0.26 -1.62 120.51 137.48 2p77 n ALA 79 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2p77 n ALA 79 Cb 0.00 -1.24 0.53 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.85 1.31 -4.69 0.00 4.77 0.18 -4.84 117.00 111.88 2p77 n LEU 80 Ca 0.01 -0.42 -0.44 0.00 -0.03 0.00 0.00 56.01 55.13 2p77 n LEU 80 Cb 0.12 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2p77 n LEU 80 CO 0.11 0.22 1.28 -0.62 -1.33 0.00 0.00 177.39 177.06 2p77 n GLU 81 N -0.05 2.44 -0.96 3.23 -0.58 -0.64 -1.40 120.64 122.69 2p77 n GLU 81 Ca 0.18 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 2p77 n GLU 81 Cb 0.34 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 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 3.70 0.87 3.77 0.62 0.00 0.19 -4.95 105.19 109.38 2p77 n GLY 82 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.56 3.26 0.10 4.61 0.00 -0.49 -4.58 121.76 121.10 2p77 s ALA 83 Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 2p77 s ALA 83 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 2p77 s ALA 83 CO 0.00 -0.30 1.41 -0.51 0.00 0.00 0.00 175.76 176.37 2p77 s LEU 84 N -2.04 4.36 0.26 0.00 1.43 -1.26 -0.79 118.68 120.63 2p77 s LEU 84 Ca 0.51 2.31 -0.05 0.00 -1.03 0.00 0.00 54.13 55.87 2p77 s LEU 84 Cb -0.29 -3.58 0.31 0.00 0.03 0.00 0.00 46.19 42.65 2p77 s LEU 84 CO 0.38 -0.68 1.93 -0.25 0.23 0.00 0.00 176.35 177.95 2p77 h TRP 85 N 7.05 1.23 -0.99 0.29 2.91 -1.52 -2.23 115.95 122.69 2p77 h TRP 85 Ca -0.41 0.03 0.17 0.00 1.13 0.00 0.00 58.89 59.81 2p77 h TRP 85 Cb 1.20 -0.42 -0.10 0.00 -0.51 0.00 0.00 29.16 29.34 2p77 h TRP 85 CO 0.68 0.75 0.60 1.49 -1.03 0.00 0.00 178.44 180.93 2p77 h GLU 86 N 1.31 0.77 -0.50 2.65 4.81 -1.91 -2.06 114.58 119.66 2p77 h GLU 86 Ca 0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2p77 h GLU 86 Cb -0.10 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.11 2p77 h GLU 86 CO -0.10 0.51 0.00 0.25 -0.73 0.00 0.00 179.01 178.95 2p77 n THR 87 N -4.75 0.66 -1.93 0.32 -2.24 -0.86 -4.96 114.28 100.52 2p77 n THR 87 Ca 0.22 -0.75 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 2p77 n THR 87 Cb 0.52 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 2p77 n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2p77 s LEU 88 N -1.21 4.37 0.31 3.22 1.43 -0.78 -4.91 118.68 121.11 2p77 s LEU 88 Ca 0.40 2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 56.03 2p77 s LEU 88 Cb 0.21 -3.64 -0.13 0.00 0.03 0.00 0.00 46.19 42.67 2p77 s LEU 88 CO 0.29 -0.76 1.35 -0.67 0.23 0.00 0.00 176.35 176.79 2p77 n ASP 89 N 1.61 2.85 -0.33 2.29 2.03 -1.26 -4.71 116.55 119.03 2p77 n ASP 89 Ca 0.05 1.18 0.30 0.00 0.52 0.00 0.00 54.79 56.84 2p77 n ASP 89 Cb 0.40 -1.48 0.65 0.00 -0.72 0.00 0.00 41.12 39.97 2p77 n ASP 89 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2p77 h PRO 90 N 3.21 0.15 -0.58 -0.67 0.11 -1.98 0.15 132.00 132.40 2p77 h PRO 90 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2p77 h PRO 90 Cb 1.28 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2p77 h PRO 90 CO 0.68 0.10 0.37 0.00 -0.21 0.00 0.00 178.00 178.94 2p77 h ARG 91 N 0.16 0.74 -0.19 1.05 3.08 -1.99 0.13 114.38 117.36 2p77 h ARG 91 Ca 0.59 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.48 2p77 h ARG 91 Cb 1.98 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.86 2p77 h ARG 91 CO -0.14 0.49 -0.34 1.88 -1.07 0.00 0.00 179.97 180.79 2p77 h TYR 92 N 0.76 0.71 -0.22 3.04 0.05 -1.06 -1.93 116.97 118.32 2p77 h TYR 92 Ca 0.22 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.78 2p77 h TYR 92 Cb -0.06 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 2p77 h TYR 92 CO -0.04 0.98 0.03 0.87 -1.05 0.00 0.00 178.16 178.95 2p77 h LYS 93 N 0.23 0.11 -0.49 4.88 1.57 -1.12 0.32 116.57 122.07 2p77 h LYS 93 Ca 0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2p77 h LYS 93 Cb 0.93 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2p77 h LYS 93 CO 0.08 0.07 0.30 0.93 -0.57 0.00 0.00 179.45 180.26 2p77 h GLU 94 N 0.11 0.58 -0.60 3.15 4.39 -0.74 0.00 114.58 121.48 2p77 h GLU 94 Ca 0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2p77 h GLU 94 Cb 0.10 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2p77 h GLU 94 CO -0.14 0.38 0.34 0.00 -1.16 0.00 0.00 179.01 178.43 2p77 h ALA 95 N 1.21 0.76 -0.30 3.43 0.00 -0.90 -0.72 119.26 122.75 2p77 h ALA 95 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2p77 h ALA 95 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2p77 h ALA 95 CO -0.08 0.27 -0.32 -0.07 0.00 0.00 0.00 179.25 179.04 2p77 h LEU 96 N 0.81 0.67 -0.48 0.00 3.38 -0.61 0.23 115.31 119.30 2p77 h LEU 96 Ca 0.21 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2p77 h LEU 96 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2p77 h LEU 96 CO -0.04 0.94 -0.30 0.25 0.09 0.00 0.00 178.44 179.39 2p77 h LEU 97 N 0.54 0.97 0.00 1.67 5.85 -0.69 -2.86 115.31 120.79 2p77 h LEU 97 Ca 0.06 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2p77 h LEU 97 Cb 0.82 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2p77 h LEU 97 CO 0.07 1.19 -0.35 -2.11 -0.34 0.00 0.00 178.44 176.90 2p77 n ARG 98 N -4.08 0.04 -3.22 1.25 1.85 -0.30 -4.95 116.66 107.24 2p77 n ARG 98 Ca -0.01 0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.70 2p77 n ARG 98 Cb 0.50 -1.53 0.07 0.00 -1.05 0.00 0.00 32.46 30.44 2p77 n ARG 98 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2p77 n PHE 99 N -1.60 -1.95 -3.58 2.89 7.35 0.70 -5.02 117.46 116.25 2p77 n PHE 99 Ca 0.06 0.76 -0.13 0.00 -0.76 0.00 0.00 57.45 57.38 2p77 n PHE 99 Cb 0.35 -4.31 -0.06 0.00 0.35 0.00 0.00 39.48 35.81 2p77 n PHE 99 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2p77 s GLN 100 N -5.47 0.76 -0.50 -4.13 0.74 -0.57 -5.00 119.66 105.48 2p77 s GLN 100 Ca 0.20 0.43 -0.03 0.00 0.05 0.00 0.00 55.36 56.00 2p77 s GLN 100 Cb -0.09 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.39 2p77 s GLN 100 CO 0.57 -0.19 0.44 0.41 -0.55 0.00 0.00 175.29 175.97 2p77 n GLY 101 N 1.45 0.37 3.06 2.59 0.00 -1.26 -4.49 105.19 106.91 2p77 n GLY 101 Ca -0.14 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.12 2.98 -0.36 1.61 5.36 -1.26 -4.81 117.98 118.38 2p77 s PHE 102 Ca 0.20 -2.02 0.01 0.00 -0.96 0.00 0.00 56.93 54.16 2p77 s PHE 102 Cb -0.09 -1.87 0.15 0.00 -0.34 0.00 0.00 43.02 40.87 2p77 s PHE 102 CO 0.27 -0.84 0.29 -1.58 -1.46 0.00 0.00 175.22 171.90 2p77 s HIS 103 N 1.21 0.25 0.45 10.12 2.46 -1.26 -0.59 115.29 127.93 2p77 s HIS 103 Ca -0.04 -1.26 -0.23 0.00 0.47 0.00 0.00 55.06 54.00 2p77 s HIS 103 Cb -0.18 -0.68 -0.08 0.00 -0.13 0.00 0.00 32.58 31.52 2p77 s HIS 103 CO -0.08 -0.89 1.15 -1.25 -2.47 0.00 0.00 174.74 171.20 2p77 s PRO 104 N 1.23 3.81 0.24 2.88 0.04 -1.26 -4.95 135.00 136.99 2p77 s PRO 104 Ca 0.18 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 2p77 s PRO 104 Cb -0.19 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.80 2p77 s PRO 104 CO -0.01 -0.50 1.58 -2.30 0.04 0.00 0.00 177.00 175.81 2p77 n PRO 105 N -0.43 2.49 -0.88 0.56 -0.02 -1.26 -1.26 135.00 134.19 2p77 n PRO 105 Ca 0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2p77 n PRO 105 Cb 0.48 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 2.77 0.46 0.00 -1.23 0.00 -1.26 -1.10 105.19 104.83 2p77 n GLY 106 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.71 6.89 3.91 -0.02 0.00 -0.39 -4.26 105.19 109.62 2p77 n GLY 107 Ca 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2p77 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p77 s GLU 108 N 0.80 3.43 0.49 1.61 2.02 0.20 -4.80 118.70 122.45 2p77 s GLU 108 Ca 0.00 -0.39 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 2p77 s GLU 108 Cb 0.00 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.10 2p77 s GLU 108 CO 0.00 0.64 0.94 -1.54 0.02 0.00 0.00 175.26 175.32 2p77 s SER 109 N -2.26 6.62 0.43 -0.19 1.04 -1.26 -4.25 113.70 113.83 2p77 s SER 109 Ca 0.32 1.49 0.12 0.00 0.48 0.00 0.00 55.95 58.35 2p77 s SER 109 Cb -0.13 -2.47 0.93 0.00 0.10 0.00 0.00 66.02 64.45 2p77 s SER 109 CO 0.24 -0.54 1.99 0.25 0.98 0.00 0.00 173.24 176.16 2p77 h LEU 110 N 1.03 0.15 -0.33 2.42 5.85 -1.26 -0.48 115.31 122.69 2p77 h LEU 110 Ca -0.47 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.11 2p77 h LEU 110 Cb 1.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2p77 h LEU 110 CO 0.62 0.26 -0.26 0.77 -0.34 0.00 0.00 178.44 179.48 2p77 h SER 111 N 0.16 0.80 -0.23 1.25 4.64 -1.92 -1.28 113.55 116.98 2p77 h SER 111 Ca 0.04 -0.45 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 2p77 h SER 111 Cb 0.25 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2p77 h SER 111 CO 0.01 1.08 -0.14 0.00 -0.87 0.00 0.00 176.83 176.91 2p77 h ALA 112 N 0.75 1.09 0.01 5.18 0.00 -1.80 -1.28 119.26 123.20 2p77 h ALA 112 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2p77 h ALA 112 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2p77 h ALA 112 CO 0.07 0.56 -0.01 0.35 0.00 0.00 0.00 179.25 180.23 2p77 h PHE 113 N 0.58 -0.01 -0.67 0.00 3.57 -0.92 -2.03 116.94 117.46 2p77 h PHE 113 Ca 0.10 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2p77 h PHE 113 Cb 0.58 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2p77 h PHE 113 CO 0.02 0.10 0.25 1.96 -2.23 0.00 0.00 178.31 178.41 2p77 h GLN 114 N -0.12 0.99 -0.58 1.11 4.20 -1.06 -1.29 115.11 118.35 2p77 h GLN 114 Ca -0.00 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.55 2p77 h GLN 114 Cb 0.12 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2p77 h GLN 114 CO 0.00 0.82 0.37 1.49 -0.67 0.00 0.00 178.83 180.84 2p77 h GLU 115 N 0.96 0.72 -0.26 1.46 4.22 -1.03 0.02 114.58 120.68 2p77 h GLU 115 Ca 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.61 2p77 h GLU 115 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2p77 h GLU 115 CO -0.02 0.48 0.12 -0.09 -2.18 0.00 0.00 179.01 177.32 2p77 h ARG 116 N 0.74 0.37 0.08 1.92 2.43 -0.99 -1.78 114.38 117.16 2p77 h ARG 116 Ca 0.23 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2p77 h ARG 116 Cb -0.03 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2p77 h ARG 116 CO -0.08 0.38 -0.04 0.28 -1.51 0.00 0.00 179.97 179.01 2p77 h VAL 117 N 0.27 1.08 0.00 0.20 2.07 -0.89 -2.58 116.25 116.40 2p77 h VAL 117 Ca 0.09 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 2p77 h VAL 117 Cb 0.14 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2p77 h VAL 117 CO -0.01 0.14 -0.40 -0.26 0.02 0.00 0.00 177.57 177.05 2p77 h PHE 118 N -0.36 0.00 -0.60 1.57 0.04 -1.04 -1.49 116.94 115.06 2p77 h PHE 118 Ca -0.01 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 2p77 h PHE 118 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2p77 h PHE 118 CO 0.01 0.40 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.03 2p77 h ARG 119 N 0.00 1.07 -0.12 1.51 2.43 -1.30 0.21 114.38 118.18 2p77 h ARG 119 Ca -0.00 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 2p77 h ARG 119 Cb 0.75 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2p77 h ARG 119 CO 0.05 1.05 0.01 0.35 -1.51 0.00 0.00 179.97 179.92 2p77 h PHE 120 N 0.97 0.21 -0.88 2.20 3.57 -1.04 -2.62 116.94 119.36 2p77 h PHE 120 Ca 0.17 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2p77 h PHE 120 Cb 0.57 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2p77 h PHE 120 CO 0.04 0.42 0.55 -0.07 -2.23 0.00 0.00 178.31 177.02 2p77 h LEU 121 N -0.05 1.04 -1.61 0.59 3.38 -1.10 -1.68 115.31 115.88 2p77 h LEU 121 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2p77 h LEU 121 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2p77 h LEU 121 CO 0.00 0.78 -0.18 -0.33 0.09 0.00 0.00 178.44 178.80 2p77 h GLU 122 N 1.21 0.00 0.00 1.13 5.08 -0.89 -2.72 114.58 118.39 2p77 h GLU 122 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2p77 h GLU 122 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2p77 h GLU 122 CO -0.06 0.18 -0.09 0.41 -1.00 0.00 0.00 179.01 178.45 2p77 n GLY 123 N -0.41 -1.67 3.73 -3.84 0.00 -0.65 -4.87 105.19 97.49 2p77 n GLY 123 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.49 4.36 0.00 0.99 1.43 -1.03 -4.91 118.68 115.03 2p77 s LEU 124 Ca 0.10 2.83 0.12 0.00 -1.03 0.00 0.00 54.13 56.15 2p77 s LEU 124 Cb 0.12 -3.61 0.33 0.00 0.03 0.00 0.00 46.19 43.06 2p77 s LEU 124 CO 0.62 -0.90 1.27 0.29 0.23 0.00 0.00 176.35 177.86 2p77 n LYS 125 N 3.18 2.76 -3.57 1.70 5.02 -1.26 -5.01 118.16 120.98 2p77 n LYS 125 Ca 0.12 -2.08 -0.08 0.00 -2.02 0.00 0.00 58.31 54.25 2p77 n LYS 125 Cb 0.37 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 2p77 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p77 s ALA 126 N -1.00 -1.73 0.82 7.82 0.00 -1.26 -5.15 121.76 121.26 2p77 s ALA 126 Ca 0.26 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 2p77 s ALA 126 Cb 0.13 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.84 2p77 s ALA 126 CO 0.18 -0.80 0.83 -2.30 0.00 0.00 0.00 175.76 173.66 2p77 n PRO 127 N -0.33 0.09 -3.57 0.00 -0.02 -1.26 -4.99 135.00 124.92 2p77 n PRO 127 Ca -0.09 0.09 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2p77 n PRO 127 Cb 0.62 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.14 -1.70 -0.19 3.55 0.00 -0.99 -4.06 121.76 116.24 2p77 s ALA 128 Ca 0.67 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 2p77 s ALA 128 Cb -0.29 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2p77 s ALA 128 CO 0.57 -0.81 0.00 0.08 0.00 0.00 0.00 175.76 175.60 2p77 s VAL 129 N -3.34 4.10 -0.28 0.00 1.01 -0.13 -0.75 120.40 121.00 2p77 s VAL 129 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2p77 s VAL 129 Cb -0.01 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.57 2p77 s VAL 129 CO -0.06 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.70 2p77 s LEU 130 N 0.73 3.69 -0.39 3.92 1.43 0.23 -1.35 118.68 126.93 2p77 s LEU 130 Ca 0.00 -1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 51.65 2p77 s LEU 130 Cb -0.14 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2p77 s LEU 130 CO 0.02 -0.22 0.84 -0.36 0.23 0.00 0.00 176.35 176.86 2p77 s PHE 131 N 1.24 3.06 0.00 0.29 0.08 -0.11 -0.54 117.98 122.00 2p77 s PHE 131 Ca -0.05 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.52 2p77 s PHE 131 Cb -0.19 -3.59 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 2p77 s PHE 131 CO -0.02 -0.85 0.00 -2.37 -0.10 0.00 0.00 175.22 171.88 2p77 n THR 132 N 5.99 0.00 -4.38 0.64 5.66 0.60 -1.04 114.28 121.75 2p77 n THR 132 Ca 0.04 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.85 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 1.15 1.78 0.25 1.09 3.76 -1.26 -2.30 115.29 119.75 2p77 s HIS 133 Ca 0.00 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.14 2p77 s HIS 133 Cb 0.00 -0.97 0.48 0.00 1.11 0.00 0.00 32.58 33.19 2p77 s HIS 133 CO 0.00 0.21 1.71 0.78 -0.85 0.00 0.00 174.74 176.59 2p77 h GLY 134 N 2.41 1.12 1.54 -2.22 0.00 -1.92 -0.93 103.07 103.06 2p77 h GLY 134 Ca -0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2p77 h GLY 134 CO 0.65 -0.15 0.07 -1.33 0.00 0.00 0.00 176.54 175.78 2p77 h GLY 135 N 0.37 0.63 0.79 4.60 0.00 -1.97 0.75 103.07 108.24 2p77 h GLY 135 Ca 0.42 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 2p77 h GLY 135 CO -0.45 0.33 -0.27 -2.08 0.00 0.00 0.00 176.54 174.07 2p77 h VAL 136 N 0.57 1.36 -0.73 4.60 2.07 -1.56 -1.02 116.25 121.55 2p77 h VAL 136 Ca 0.13 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2p77 h VAL 136 Cb 0.26 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2p77 h VAL 136 CO 0.00 0.45 0.41 0.58 0.02 0.00 0.00 177.57 179.03 2p77 h VAL 137 N 0.05 1.22 -0.58 2.57 2.07 -1.02 -2.03 116.25 118.53 2p77 h VAL 137 Ca 0.01 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2p77 h VAL 137 Cb 0.86 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2p77 h VAL 137 CO 0.06 0.24 0.28 -0.09 0.02 0.00 0.00 177.57 178.08 2p77 h ARG 138 N 1.01 0.84 -0.66 1.57 2.43 -0.77 -0.51 114.38 118.29 2p77 h ARG 138 Ca 0.26 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2p77 h ARG 138 Cb 0.02 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 2p77 h ARG 138 CO -0.04 0.68 0.41 0.00 -1.51 0.00 0.00 179.97 179.51 2p77 h ALA 139 N 1.11 0.86 -0.12 2.80 0.00 -0.73 0.05 119.26 123.22 2p77 h ALA 139 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2p77 h ALA 139 Cb 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2p77 h ALA 139 CO -0.02 0.16 -0.02 0.28 0.00 0.00 0.00 179.25 179.64 2p77 h VAL 140 N 0.79 1.29 -0.55 0.00 2.07 -1.11 -1.35 116.25 117.39 2p77 h VAL 140 Ca 0.27 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.87 2p77 h VAL 140 Cb 0.03 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2p77 h VAL 140 CO -0.11 0.27 0.31 -0.07 0.02 0.00 0.00 177.57 177.99 2p77 h LEU 141 N -0.09 0.48 -1.01 2.57 3.38 -0.86 -1.87 115.31 117.91 2p77 h LEU 141 Ca 0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2p77 h LEU 141 Cb 0.43 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2p77 h LEU 141 CO 0.01 0.33 0.16 0.03 0.09 0.00 0.00 178.44 179.07 2p77 h ARG 142 N 0.61 0.88 0.00 1.13 3.08 0.23 0.16 114.38 120.47 2p77 h ARG 142 Ca 0.23 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2p77 h ARG 142 Cb 0.08 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2p77 h ARG 142 CO -0.12 0.77 -0.10 0.00 -1.07 0.00 0.00 179.97 179.44 2p77 h ALA 143 N 1.33 1.63 -0.54 0.04 0.00 -0.48 -1.35 119.26 119.90 2p77 h ALA 143 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2p77 h ALA 143 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2p77 h ALA 143 CO -0.01 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.65 2p77 n LEU 144 N -4.12 2.95 0.00 0.00 4.77 -0.66 -4.91 117.00 115.02 2p77 n LEU 144 Ca -0.03 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2p77 n LEU 144 Cb 0.18 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2p77 n LEU 144 CO 0.33 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2p77 n GLY 145 N 1.33 0.72 3.09 -0.72 0.00 -0.51 -4.85 105.19 104.25 2p77 n GLY 145 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.42 1.71 0.14 1.61 2.02 0.46 -4.98 118.70 119.25 2p77 s GLU 146 Ca 0.00 -0.53 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 2p77 s GLU 146 Cb 0.00 -1.46 -0.09 0.00 0.10 0.00 0.00 34.13 32.67 2p77 s GLU 146 CO 0.00 0.17 1.55 0.34 0.02 0.00 0.00 175.26 177.34 2p77 s ASP 147 N 0.22 6.63 -1.16 -0.19 -1.08 -1.26 0.73 116.67 120.56 2p77 s ASP 147 Ca -0.07 2.54 -0.10 0.00 -0.52 0.00 0.00 52.55 54.40 2p77 s ASP 147 Cb -0.12 -2.59 0.24 0.00 -1.46 0.00 0.00 42.92 38.98 2p77 s ASP 147 CO 0.03 -0.80 1.39 0.61 0.52 0.00 0.00 175.17 176.92 2p77 n GLY 148 N 3.74 4.22 3.12 2.66 0.00 -1.25 -4.81 105.19 112.88 2p77 n GLY 148 Ca 0.14 -2.36 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.55 5.12 0.06 0.99 1.43 -1.26 -3.39 118.68 121.08 2p77 s LEU 149 Ca 0.36 -1.96 0.09 0.00 -1.03 0.00 0.00 54.13 51.59 2p77 s LEU 149 Cb -0.02 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2p77 s LEU 149 CO -0.01 -0.51 -0.26 0.68 0.23 0.00 0.00 176.35 176.48 2p77 s VAL 150 N 1.15 2.13 0.71 -1.59 -7.23 -1.26 -5.12 120.40 109.18 2p77 s VAL 150 Ca 0.07 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 58.66 2p77 s VAL 150 Cb -0.22 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2p77 s VAL 150 CO -0.04 0.31 1.13 -2.16 -0.31 0.00 0.00 175.10 174.04 2p77 s PRO 151 N -1.36 2.45 0.33 4.82 0.04 -1.26 -4.94 135.00 135.07 2p77 s PRO 151 Ca 0.12 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 2p77 s PRO 151 Cb -0.10 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 2p77 s PRO 151 CO 0.03 -1.54 1.46 -2.30 0.04 0.00 0.00 177.00 174.69 2p77 n PRO 152 N -2.76 2.45 -0.99 0.56 -0.02 -1.26 -1.90 135.00 131.08 2p77 n PRO 152 Ca 0.11 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2p77 n PRO 152 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2p77 n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p77 n GLY 153 N 1.24 0.51 3.97 -1.23 0.00 0.51 -4.76 105.19 105.43 2p77 n GLY 153 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.13 5.17 0.10 1.61 1.04 -0.80 -4.76 113.70 113.93 2p77 s SER 154 Ca 0.00 -0.77 -0.06 0.00 0.48 0.00 0.00 55.95 55.60 2p77 s SER 154 Cb 0.00 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 2p77 s SER 154 CO 0.00 -0.97 0.14 0.00 0.98 0.00 0.00 173.24 173.38 2p77 s ALA 155 N -2.55 0.11 -0.04 5.32 0.00 0.11 -1.05 121.76 123.67 2p77 s ALA 155 Ca 0.52 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 2p77 s ALA 155 Cb -0.06 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2p77 s ALA 155 CO 0.32 -0.49 0.08 0.54 0.00 0.00 0.00 175.76 176.20 2p77 s VAL 156 N -3.91 -0.06 -0.20 0.00 0.11 -0.20 -0.03 120.40 116.11 2p77 s VAL 156 Ca 0.09 0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.26 2p77 s VAL 156 Cb 0.06 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.71 2p77 s VAL 156 CO -0.08 0.09 0.13 0.00 -3.33 0.00 0.00 175.10 171.91 2p77 s ALA 157 N 1.19 3.67 0.10 1.54 0.00 -0.04 -0.35 121.76 127.87 2p77 s ALA 157 Ca -0.08 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.26 2p77 s ALA 157 Cb -0.12 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2p77 s ALA 157 CO -0.04 0.14 -0.21 0.14 0.00 0.00 0.00 175.76 175.79 2p77 s VAL 158 N 0.39 1.72 -1.07 0.00 -7.23 0.10 0.14 120.40 114.46 2p77 s VAL 158 Ca 0.08 -1.52 -0.15 0.00 -1.81 0.00 0.00 61.98 58.57 2p77 s VAL 158 Cb -0.11 -1.56 0.17 0.00 0.56 0.00 0.00 36.38 35.43 2p77 s VAL 158 CO -0.02 -0.04 1.25 -0.62 -0.31 0.00 0.00 175.10 175.37 2p77 s ASP 159 N -1.86 6.90 0.23 4.85 2.15 0.20 -1.29 116.67 127.85 2p77 s ASP 159 Ca 0.07 -2.66 -0.30 0.00 0.43 0.00 0.00 52.55 50.09 2p77 s ASP 159 Cb -0.10 -2.37 -0.09 0.00 -0.30 0.00 0.00 42.92 40.05 2p77 s ASP 159 CO 0.04 -0.82 1.36 0.86 -0.17 0.00 0.00 175.17 176.44 2p77 s TRP 160 N 1.70 3.15 -0.63 -5.34 -0.11 -0.68 0.12 118.94 117.15 2p77 s TRP 160 Ca 0.36 1.15 0.01 0.00 1.22 0.00 0.00 56.10 58.85 2p77 s TRP 160 Cb -0.05 -3.69 0.40 0.00 -1.50 0.00 0.00 33.47 28.63 2p77 s TRP 160 CO -0.05 -2.19 1.67 -0.35 -4.62 0.00 0.00 176.95 171.41 2p77 n PRO 161 N 2.39 3.04 -0.09 5.86 -0.04 -1.26 -0.92 135.00 143.98 2p77 n PRO 161 Ca 0.06 -3.83 -0.13 0.00 -0.04 0.00 0.00 63.50 59.55 2p77 n PRO 161 Cb 0.42 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 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 -0.62 0.51 -3.71 0.54 1.74 0.33 -4.96 116.66 110.50 2p77 n ARG 162 Ca 0.50 0.21 -0.09 0.00 -0.77 0.00 0.00 57.85 57.70 2p77 n ARG 162 Cb 0.52 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.76 1.54 0.17 5.56 1.70 -0.97 -4.93 118.95 119.27 2p77 s ARG 163 Ca -0.29 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 2p77 s ARG 163 Cb 0.06 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.95 2p77 s ARG 163 CO 0.42 -0.69 1.07 0.08 -1.08 0.00 0.00 175.30 175.10 2p77 s VAL 164 N -3.86 3.95 -0.16 4.99 1.01 -1.26 0.62 120.40 125.68 2p77 s VAL 164 Ca 0.08 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 2p77 s VAL 164 Cb -0.03 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 2p77 s VAL 164 CO -0.01 0.30 0.26 0.18 0.00 0.00 0.00 175.10 175.83 2p77 n LEU 165 N 2.35 2.35 -3.58 3.92 4.77 0.38 -4.80 117.00 122.39 2p77 n LEU 165 Ca 0.02 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 2p77 n LEU 165 Cb 0.47 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 2p77 n LEU 165 CO 0.53 0.64 0.89 0.54 -1.33 0.00 0.00 177.39 178.66 2p77 s VAL 166 N -2.48 0.00 -0.06 4.08 0.11 -1.06 -5.00 120.40 115.99 2p77 s VAL 166 Ca -0.26 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 2p77 s VAL 166 Cb 0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2p77 s VAL 166 CO 0.69 0.00 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.19 2p77 s ARG 167 N -1.89 2.61 -0.30 1.54 0.52 -1.26 -0.86 118.95 119.30 2p77 s ARG 167 Ca 0.05 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 2p77 s ARG 167 Cb -0.01 -2.42 0.09 0.00 0.52 0.00 0.00 34.95 33.13 2p77 s ARG 167 CO -0.04 0.59 0.01 -1.17 0.02 0.00 0.00 175.30 174.71 2p77 s LEU 168 N -0.63 3.70 -0.18 2.53 2.96 0.96 -5.00 118.68 123.03 2p77 s LEU 168 Ca 0.09 -1.76 0.01 0.00 -0.22 0.00 0.00 54.13 52.25 2p77 s LEU 168 Cb -0.11 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.19 2p77 s LEU 168 CO 0.01 -0.33 -0.18 0.00 -1.32 0.00 0.00 176.35 174.53 2p77 s ALA 169 N 1.15 2.38 -2.54 5.97 0.00 -1.26 -0.71 121.76 126.75 2p77 s ALA 169 Ca 0.04 -1.18 0.20 0.00 0.00 0.00 0.00 51.96 51.03 2p77 s ALA 169 Cb -0.19 -1.20 0.16 0.00 0.00 0.00 0.00 23.12 21.89 2p77 s ALA 169 CO -0.10 -0.28 1.14 1.28 0.00 0.00 0.00 175.76 177.80