#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p30 s GLU 2 N 0.00 3.54 -0.06 2.12 2.12 -1.25 -1.45 118.70 123.71 2p30 s GLU 2 Ca 0.00 2.05 0.04 0.00 0.36 0.00 0.00 54.97 57.41 2p30 s GLU 2 Cb 0.00 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.16 2p30 s GLU 2 CO 0.00 -1.63 -0.17 -0.51 -0.54 0.00 0.00 175.26 172.41 2p30 s LEU 3 N 6.56 1.88 -0.19 2.70 1.43 -0.35 -3.30 118.68 127.41 2p30 s LEU 3 Ca 0.90 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 2p30 s LEU 3 Cb -0.33 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 2p30 s LEU 3 CO 0.35 0.12 0.15 0.26 0.23 0.00 0.00 176.35 177.47 2p30 s TRP 4 N 0.29 3.44 -0.24 0.29 0.52 -0.12 -1.31 118.94 121.81 2p30 s TRP 4 Ca -0.11 0.38 -0.02 0.00 0.02 0.00 0.00 56.10 56.38 2p30 s TRP 4 Cb -0.14 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.04 2p30 s TRP 4 CO 0.04 0.33 -0.07 -0.51 0.02 0.00 0.00 176.95 176.76 2p30 s LEU 5 N 0.22 3.03 -0.21 2.99 1.43 0.65 0.10 118.68 126.89 2p30 s LEU 5 Ca 0.10 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2p30 s LEU 5 Cb -0.11 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2p30 s LEU 5 CO -0.01 -0.10 -0.02 -0.69 0.23 0.00 0.00 176.35 175.77 2p30 s VAL 6 N 1.35 3.67 -0.15 -1.59 1.01 0.48 -0.91 120.40 124.27 2p30 s VAL 6 Ca 0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 2p30 s VAL 6 Cb -0.16 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2p30 s VAL 6 CO -0.05 0.42 0.86 -0.60 0.00 0.00 0.00 175.10 175.74 2p30 s ARG 7 N 1.22 4.33 1.09 2.72 3.52 -0.09 -1.12 118.95 130.61 2p30 s ARG 7 Ca 0.03 1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 56.60 2p30 s ARG 7 Cb -0.14 -3.56 0.24 0.00 -1.56 0.00 0.00 34.95 29.92 2p30 s ARG 7 CO 0.00 -0.31 1.06 -3.38 -0.81 0.00 0.00 175.30 171.86 2p30 s HIS 8 N 2.06 1.52 1.22 5.12 -3.43 -0.98 -0.17 115.29 120.64 2p30 s HIS 8 Ca 0.40 1.29 -0.17 0.00 -0.80 0.00 0.00 55.06 55.78 2p30 s HIS 8 Cb -0.17 -3.16 0.29 0.00 -1.43 0.00 0.00 32.58 28.12 2p30 s HIS 8 CO 0.14 -3.51 1.03 0.20 -2.00 0.00 0.00 174.74 170.60 2p30 s GLY 9 N -2.68 1.52 0.32 -1.38 0.00 -1.26 -1.51 107.32 102.33 2p30 s GLY 9 Ca 0.68 -0.60 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 2p30 s GLY 9 CO 0.62 0.24 1.31 1.85 0.00 0.00 0.00 173.10 177.12 2p30 s GLU 10 N -4.97 4.35 0.33 2.90 2.12 -1.26 -4.71 118.70 117.46 2p30 s GLU 10 Ca 0.69 2.21 0.09 0.00 0.36 0.00 0.00 54.97 58.31 2p30 s GLU 10 Cb -0.17 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2p30 s GLU 10 CO 0.59 -0.20 0.09 0.95 -0.54 0.00 0.00 175.26 176.14 2p30 s THR 11 N -0.98 2.95 0.28 -1.70 -4.23 -1.26 -1.37 115.64 109.32 2p30 s THR 11 Ca 0.50 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2p30 s THR 11 Cb -0.40 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 70.81 2p30 s THR 11 CO 0.51 -0.21 1.70 0.25 -0.54 0.00 0.00 174.62 176.33 2p30 h LEU 12 N 1.67 0.27 -0.45 4.79 5.85 -1.93 -1.40 115.31 124.11 2p30 h LEU 12 Ca -0.43 0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.27 2p30 h LEU 12 Cb 1.25 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 2p30 h LEU 12 CO 0.64 -0.00 -0.53 -0.50 -0.34 0.00 0.00 178.44 177.71 2p30 h TRP 13 N 0.38 0.86 -0.39 1.25 4.06 -1.94 -0.84 115.95 119.32 2p30 h TRP 13 Ca 0.53 -0.30 0.06 0.00 2.06 0.00 0.00 58.89 61.24 2p30 h TRP 13 Cb 0.97 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 2p30 h TRP 13 CO -0.16 1.07 0.27 -0.91 -3.56 0.00 0.00 178.44 175.14 2p30 h ASN 14 N 0.54 0.24 0.12 -3.49 -0.26 -1.52 0.89 115.58 112.10 2p30 h ASN 14 Ca 0.02 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.46 2p30 h ASN 14 Cb 1.09 -0.05 0.03 0.00 -1.06 0.00 0.00 38.32 38.33 2p30 h ASN 14 CO 0.11 0.16 -1.22 -0.09 -1.06 0.00 0.00 177.43 175.32 2p30 h ARG 15 N 0.27 0.63 0.00 0.81 2.43 -0.85 -3.33 114.38 114.34 2p30 h ARG 15 Ca 0.17 -0.82 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 2p30 h ARG 15 Cb 0.35 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2p30 h ARG 15 CO -0.04 1.37 -0.25 0.39 -1.51 0.00 0.00 179.97 179.93 2p30 n GLU 16 N -3.79 0.20 -1.62 0.20 1.02 -0.37 -4.95 120.64 111.32 2p30 n GLU 16 Ca -0.13 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2p30 n GLU 16 Cb 0.97 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2p30 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p30 n GLY 17 N 1.37 0.83 3.71 0.62 0.00 0.26 -4.92 105.19 107.06 2p30 n GLY 17 Ca 0.05 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2p30 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p30 s ARG 18 N -3.41 2.94 0.18 1.61 0.52 -0.92 -1.63 118.95 118.24 2p30 s ARG 18 Ca 0.00 -0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 54.41 2p30 s ARG 18 Cb 0.00 -2.78 -0.09 0.00 0.52 0.00 0.00 34.95 32.60 2p30 s ARG 18 CO 0.00 0.66 1.43 -0.51 0.02 0.00 0.00 175.30 176.91 2p30 s LEU 19 N -1.33 4.38 -0.16 2.53 1.43 -0.19 -4.49 118.68 120.85 2p30 s LEU 19 Ca 0.18 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2p30 s LEU 19 Cb -0.12 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.53 2p30 s LEU 19 CO 0.08 -0.69 -0.11 -0.22 0.23 0.00 0.00 176.35 175.64 2p30 s LEU 20 N 0.43 1.76 0.00 1.79 2.96 -1.26 0.21 118.68 124.56 2p30 s LEU 20 Ca 0.63 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2p30 s LEU 20 Cb -0.40 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.17 2p30 s LEU 20 CO 0.36 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.90 2p30 n GLY 21 N 4.78 0.83 0.35 7.98 0.00 -1.26 -4.87 105.19 113.00 2p30 n GLY 21 Ca -0.15 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2p30 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p30 n TRP 22 N 0.00 0.00 -1.71 1.61 7.02 -1.26 -4.54 117.44 118.57 2p30 n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2p30 n TRP 22 Cb 0.00 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 28.79 2p30 n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2p30 s THR 23 N -2.47 2.51 -1.14 -0.99 2.01 -1.26 -4.83 115.64 109.46 2p30 s THR 23 Ca 0.23 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 2p30 s THR 23 Cb 0.19 -3.02 -0.11 0.00 0.01 0.00 0.00 72.50 69.57 2p30 s THR 23 CO 0.53 -0.00 3.07 -0.67 -0.69 0.00 0.00 174.62 176.86 2p30 n ASP 24 N 5.68 7.73 -4.79 3.53 2.03 -1.26 -4.96 116.55 124.51 2p30 n ASP 24 Ca 0.18 -2.63 -0.34 0.00 0.52 0.00 0.00 54.79 52.51 2p30 n ASP 24 Cb 0.38 -1.49 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 2p30 n ASP 24 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2p30 s LEU 25 N -0.20 3.77 0.53 -2.67 1.43 -1.26 -4.85 118.68 115.42 2p30 s LEU 25 Ca 0.67 2.02 -0.02 0.00 -1.03 0.00 0.00 54.13 55.77 2p30 s LEU 25 Cb 0.22 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.88 2p30 s LEU 25 CO -0.06 -1.01 0.79 -2.16 0.23 0.00 0.00 176.35 174.15 2p30 s PRO 26 N -3.34 2.93 0.51 1.29 0.04 -1.26 -3.93 135.00 131.24 2p30 s PRO 26 Ca 0.69 -0.30 -0.20 0.00 0.04 0.00 0.00 61.00 61.24 2p30 s PRO 26 Cb -0.19 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 31.86 2p30 s PRO 26 CO 0.25 -0.52 1.09 -0.51 0.04 0.00 0.00 177.00 177.34 2p30 s LEU 27 N -4.78 3.81 0.89 -3.56 1.43 -1.26 -4.44 118.68 110.76 2p30 s LEU 27 Ca 0.52 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.56 2p30 s LEU 27 Cb -0.10 -4.55 0.16 0.00 0.03 0.00 0.00 46.19 41.72 2p30 s LEU 27 CO 0.41 -1.01 1.25 0.42 0.23 0.00 0.00 176.35 177.65 2p30 s THR 28 N -1.84 2.02 0.21 5.49 -4.23 -0.47 -4.82 115.64 111.99 2p30 s THR 28 Ca 0.70 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 2p30 s THR 28 Cb -0.21 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.81 2p30 s THR 28 CO 0.24 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.20 2p30 h ALA 29 N -1.37 0.93 -0.34 3.99 0.00 -1.96 -1.43 119.26 119.08 2p30 h ALA 29 Ca -0.44 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2p30 h ALA 29 Cb 1.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2p30 h ALA 29 CO 0.46 0.36 -0.12 1.49 0.00 0.00 0.00 179.25 181.44 2p30 h GLU 30 N 1.00 0.60 -0.70 0.00 4.57 -1.92 -1.86 114.58 116.26 2p30 h GLU 30 Ca 0.27 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2p30 h GLU 30 Cb -0.11 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2p30 h GLU 30 CO -0.06 0.71 0.43 0.78 -1.18 0.00 0.00 179.01 179.69 2p30 h GLY 31 N 0.95 1.01 1.36 1.92 0.00 -1.45 -0.04 103.07 106.83 2p30 h GLY 31 Ca 0.10 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 2p30 h GLY 31 CO 0.03 0.40 -0.51 0.83 0.00 0.00 0.00 176.54 177.29 2p30 h GLU 32 N 0.96 0.68 -0.77 4.80 5.08 -0.69 -2.71 114.58 121.93 2p30 h GLU 32 Ca 0.25 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2p30 h GLU 32 Cb -0.05 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2p30 h GLU 32 CO -0.05 1.02 0.29 0.00 -1.00 0.00 0.00 179.01 179.27 2p30 h ALA 33 N 0.90 1.05 -0.67 3.43 0.00 -0.56 -0.32 119.26 123.10 2p30 h ALA 33 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2p30 h ALA 33 Cb 1.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2p30 h ALA 33 CO 0.10 0.66 0.29 1.96 0.00 0.00 0.00 179.25 182.26 2p30 h GLN 34 N 1.13 0.97 -0.31 0.00 4.20 -0.91 -1.86 115.11 118.32 2p30 h GLN 34 Ca 0.25 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 2p30 h GLN 34 Cb 0.24 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2p30 h GLN 34 CO -0.02 0.78 -0.49 0.00 -0.67 0.00 0.00 178.83 178.43 2p30 h ALA 35 N 1.35 0.48 -0.32 3.87 0.00 -1.09 -3.06 119.26 120.49 2p30 h ALA 35 Ca 0.23 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2p30 h ALA 35 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2p30 h ALA 35 CO -0.02 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.92 2p30 h ARG 36 N 0.68 0.48 0.00 0.00 3.08 -0.71 -1.79 114.38 116.11 2p30 h ARG 36 Ca 0.03 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2p30 h ARG 36 Cb 1.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2p30 h ARG 36 CO 0.11 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 2p30 h ARG 37 N 0.47 0.00 0.00 0.04 3.08 -1.24 -2.26 114.38 114.47 2p30 h ARG 37 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2p30 h ARG 37 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2p30 h ARG 37 CO 0.00 0.00 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.29 2p30 h LEU 38 N 0.00 0.00 -9.58 3.04 3.38 -1.37 -3.43 115.31 107.36 2p30 h LEU 38 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2p30 h LEU 38 Cb 0.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.00 2p30 h LEU 38 CO 0.00 0.01 0.93 -0.75 0.09 0.00 0.00 178.44 178.72 2p30 s LYS 39 N -3.29 4.19 0.00 1.13 2.20 -0.85 -1.40 119.74 121.72 2p30 s LYS 39 Ca 0.03 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 2p30 s LYS 39 Cb 0.07 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2p30 s LYS 39 CO 0.74 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 2p30 n GLY 40 N 3.86 2.73 0.13 5.54 0.00 -1.26 -4.81 105.19 111.37 2p30 n GLY 40 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 2p30 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p30 n ALA 41 N -0.36 1.12 -1.92 4.61 0.00 -0.50 -4.93 120.51 118.54 2p30 n ALA 41 Ca 0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 53.44 52.38 2p30 n ALA 41 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2p30 n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p30 s LEU 42 N -6.71 3.67 0.50 0.00 1.43 -1.05 -5.03 118.68 111.49 2p30 s LEU 42 Ca -0.21 1.47 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 2p30 s LEU 42 Cb 0.07 -4.39 -0.07 0.00 0.03 0.00 0.00 46.19 41.83 2p30 s LEU 42 CO 0.75 -0.54 1.14 -2.16 0.23 0.00 0.00 176.35 175.77 2p30 s PRO 43 N -4.02 3.58 -1.52 1.29 0.04 -1.26 -4.90 135.00 128.21 2p30 s PRO 43 Ca 0.57 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 2p30 s PRO 43 Cb -0.10 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 2p30 s PRO 43 CO 0.31 -0.67 2.73 0.43 0.04 0.00 0.00 177.00 179.84 2p30 n SER 44 N -0.90 7.35 -4.97 6.66 7.64 -1.26 -4.92 113.62 123.23 2p30 n SER 44 Ca 0.09 -2.61 -0.21 0.00 1.01 0.00 0.00 58.87 57.15 2p30 n SER 44 Cb 0.50 -1.54 0.01 0.00 -1.01 0.00 0.00 64.21 62.17 2p30 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2p30 s LEU 45 N 0.61 3.77 0.34 -3.43 1.43 -1.26 -5.03 118.68 115.10 2p30 s LEU 45 Ca 0.63 0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 2p30 s LEU 45 Cb 0.17 -2.98 -0.12 0.00 0.03 0.00 0.00 46.19 43.29 2p30 s LEU 45 CO -0.06 -0.61 1.28 -2.65 0.23 0.00 0.00 176.35 174.54 2p30 n PRO 46 N -1.91 2.09 -4.87 1.29 -0.02 -1.26 -4.55 135.00 125.77 2p30 n PRO 46 Ca 0.01 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 2p30 n PRO 46 Cb 0.58 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 2p30 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p30 s ALA 47 N -1.05 2.67 0.02 3.55 0.00 -1.26 -0.86 121.76 124.82 2p30 s ALA 47 Ca 0.56 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.60 2p30 s ALA 47 Cb -0.58 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 2p30 s ALA 47 CO 0.62 0.53 -0.15 -0.06 0.00 0.00 0.00 175.76 176.70 2p30 s PHE 48 N -0.64 1.30 0.03 0.00 0.08 -0.58 -2.98 117.98 115.19 2p30 s PHE 48 Ca 0.10 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2p30 s PHE 48 Cb -0.11 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2p30 s PHE 48 CO 0.01 0.02 -0.02 0.45 -0.10 0.00 0.00 175.22 175.58 2p30 s SER 49 N -0.84 0.32 0.71 1.36 0.15 -0.59 -1.04 113.70 113.76 2p30 s SER 49 Ca 0.04 -0.67 -0.15 0.00 0.70 0.00 0.00 55.95 55.86 2p30 s SER 49 Cb -0.07 0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 2p30 s SER 49 CO 0.01 -0.42 1.20 -0.55 1.20 0.00 0.00 173.24 174.68 2p30 s SER 50 N -2.00 4.42 0.00 5.45 0.15 -0.32 -0.34 113.70 121.05 2p30 s SER 50 Ca -0.07 2.32 0.28 0.00 0.70 0.00 0.00 55.95 59.18 2p30 s SER 50 Cb -0.03 -2.59 1.17 0.00 -1.71 0.00 0.00 66.02 62.86 2p30 s SER 50 CO -0.04 -2.11 1.82 -0.90 1.20 0.00 0.00 173.24 173.20 2p30 n ASP 51 N -2.55 0.80 -4.77 5.45 5.75 -1.24 -3.99 116.55 116.00 2p30 n ASP 51 Ca 0.13 -0.94 -0.39 0.00 -0.01 0.00 0.00 54.79 53.57 2p30 n ASP 51 Cb 0.50 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 2p30 n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p30 s LEU 52 N -2.29 4.33 0.21 -2.12 1.43 -1.26 -4.83 118.68 114.15 2p30 s LEU 52 Ca 0.33 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.70 2p30 s LEU 52 Cb 0.20 -3.83 0.19 0.00 0.03 0.00 0.00 46.19 42.78 2p30 s LEU 52 CO 0.43 -0.55 1.57 0.25 0.23 0.00 0.00 176.35 178.29 2p30 h LEU 53 N 3.07 -1.22 -1.66 1.79 5.85 -1.88 -1.35 115.31 119.90 2p30 h LEU 53 Ca -0.48 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.53 2p30 h LEU 53 Cb 1.23 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 2p30 h LEU 53 CO 0.64 -0.30 0.28 0.08 -0.34 0.00 0.00 178.44 178.81 2p30 h ARG 54 N -0.08 0.43 -0.02 1.25 0.11 -1.91 -0.07 114.38 114.09 2p30 h ARG 54 Ca 0.29 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 60.26 2p30 h ARG 54 Cb 0.57 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.56 2p30 h ARG 54 CO -0.82 0.29 -0.31 0.00 0.10 0.00 0.00 179.97 179.23 2p30 h ALA 55 N 1.76 0.06 -0.61 0.08 0.00 -1.57 -2.58 119.26 116.40 2p30 h ALA 55 Ca 0.17 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2p30 h ALA 55 Cb 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2p30 h ALA 55 CO -0.04 0.14 0.37 0.00 0.00 0.00 0.00 179.25 179.73 2p30 h ARG 56 N -0.35 0.71 -0.47 0.00 3.08 -1.03 -1.71 114.38 114.60 2p30 h ARG 56 Ca -0.03 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2p30 h ARG 56 Cb 1.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2p30 h ARG 56 CO 0.06 0.47 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.32 2p30 h ARG 57 N 0.73 0.80 -0.27 0.04 9.65 -1.10 -0.66 114.38 123.57 2p30 h ARG 57 Ca 0.25 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2p30 h ARG 57 Cb 0.03 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2p30 h ARG 57 CO -0.11 0.82 0.08 1.15 2.80 0.00 0.00 179.97 184.71 2p30 h THR 58 N 0.74 1.20 -0.43 0.20 2.02 -1.06 -0.47 112.91 115.12 2p30 h THR 58 Ca 0.14 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.70 2p30 h THR 58 Cb 0.48 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 2p30 h THR 58 CO 0.02 0.21 0.23 0.00 0.37 0.00 0.00 175.52 176.36 2p30 h ALA 59 N 0.91 0.54 0.10 6.16 0.00 -1.01 -0.07 119.26 125.89 2p30 h ALA 59 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2p30 h ALA 59 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2p30 h ALA 59 CO -0.00 -0.11 -0.05 1.49 0.00 0.00 0.00 179.25 180.58 2p30 h GLU 60 N 0.46 -0.12 0.00 0.00 4.81 -0.92 -0.89 114.58 117.92 2p30 h GLU 60 Ca 0.18 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2p30 h GLU 60 Cb 0.06 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2p30 h GLU 60 CO -0.11 -0.07 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.89 2p30 h LEU 61 N -0.14 0.00 -0.04 1.64 3.38 -0.84 -0.92 115.31 118.40 2p30 h LEU 61 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2p30 h LEU 61 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2p30 h LEU 61 CO 0.02 0.13 -0.01 0.00 0.09 0.00 0.00 178.44 178.68 2p30 n ALA 62 N -2.33 2.58 -0.34 1.53 0.00 -0.06 -4.28 120.51 117.62 2p30 n ALA 62 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2p30 n ALA 62 Cb 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2p30 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p30 n GLY 63 N 1.18 0.80 3.67 0.00 0.00 -0.35 -3.78 105.19 106.71 2p30 n GLY 63 Ca 0.18 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 2p30 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p30 s PHE 64 N -2.00 2.65 -0.60 1.61 0.40 -0.38 -5.02 117.98 114.64 2p30 s PHE 64 Ca 0.00 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2p30 s PHE 64 Cb 0.00 -1.42 0.20 0.00 0.51 0.00 0.00 43.02 42.31 2p30 s PHE 64 CO 0.00 0.49 0.54 0.43 0.70 0.00 0.00 175.22 177.38 2p30 n SER 65 N -0.99 2.29 -4.82 1.36 7.64 -1.26 -3.88 113.62 113.96 2p30 n SER 65 Ca -0.05 -3.07 -0.33 0.00 1.01 0.00 0.00 58.87 56.43 2p30 n SER 65 Cb 0.61 -0.68 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 2p30 n SER 65 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2p30 s PRO 66 N -1.46 3.73 0.25 1.43 0.04 -1.26 -4.87 135.00 132.86 2p30 s PRO 66 Ca 0.32 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 2p30 s PRO 66 Cb 0.05 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2p30 s PRO 66 CO -0.12 -0.47 0.83 1.03 0.04 0.00 0.00 177.00 178.31 2p30 s ARG 67 N -3.82 4.47 -0.18 4.56 0.52 -1.16 -4.86 118.95 118.49 2p30 s ARG 67 Ca 0.62 1.14 -0.18 0.00 -0.52 0.00 0.00 55.73 56.79 2p30 s ARG 67 Cb -0.13 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 2p30 s ARG 67 CO 0.29 0.39 0.51 -0.51 0.02 0.00 0.00 175.30 175.99 2p30 s LEU 68 N -1.82 4.18 -0.12 2.53 1.43 -1.26 -1.54 118.68 122.08 2p30 s LEU 68 Ca 0.45 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2p30 s LEU 68 Cb -0.19 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.35 2p30 s LEU 68 CO 0.24 -0.13 -0.12 -0.31 0.23 0.00 0.00 176.35 176.26 2p30 s TYR 69 N 1.36 1.81 0.48 0.29 2.02 0.53 -4.89 117.35 118.96 2p30 s TYR 69 Ca 0.24 -0.92 0.25 0.00 -0.37 0.00 0.00 57.07 56.28 2p30 s TYR 69 Cb -0.15 -1.38 1.49 0.00 -0.40 0.00 0.00 41.96 41.52 2p30 s TYR 69 CO 0.10 -0.53 2.12 -1.35 -1.57 0.00 0.00 175.55 174.32 2p30 h PRO 70 N 7.85 0.00 0.00 -1.71 0.11 -1.94 -2.49 132.00 133.81 2p30 h PRO 70 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2p30 h PRO 70 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2p30 h PRO 70 CO 0.47 0.09 0.00 0.93 -0.21 0.00 0.00 178.00 179.28 2p30 h GLU 71 N 0.00 0.00 -0.24 1.05 3.07 -1.94 -1.61 114.58 114.91 2p30 h GLU 71 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p30 h GLU 71 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2p30 h GLU 71 CO 0.01 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.90 2p30 n LEU 72 N -2.76 2.41 -4.74 1.33 4.77 -0.94 -4.25 117.00 112.82 2p30 n LEU 72 Ca -0.02 -1.01 -0.31 0.00 -0.03 0.00 0.00 56.01 54.64 2p30 n LEU 72 Cb 0.09 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.14 2p30 n LEU 72 CO 0.17 0.50 0.70 -0.13 -1.33 0.00 0.00 177.39 177.30 2p30 s ARG 73 N -1.70 1.93 0.92 3.23 0.52 -0.61 -4.28 118.95 118.97 2p30 s ARG 73 Ca 0.34 1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 56.75 2p30 s ARG 73 Cb 0.20 -1.85 0.14 0.00 0.52 0.00 0.00 34.95 33.96 2p30 s ARG 73 CO 0.29 -1.91 1.09 -2.00 0.02 0.00 0.00 175.30 172.79 2p30 s GLU 74 N -4.76 1.05 0.57 3.54 2.56 -1.26 -4.85 118.70 115.55 2p30 s GLU 74 Ca 0.63 0.82 -0.20 0.00 0.00 0.00 0.00 54.97 56.22 2p30 s GLU 74 Cb -0.19 -1.79 -0.04 0.00 2.00 0.00 0.00 34.13 34.11 2p30 s GLU 74 CO 0.55 -2.38 1.26 -1.50 -0.56 0.00 0.00 175.26 172.63 2p30 s ILE 75 N -2.90 2.43 -0.32 -3.70 2.07 -1.26 -4.72 121.20 112.79 2p30 s ILE 75 Ca 0.64 0.29 -0.26 0.00 -1.41 0.00 0.00 60.65 59.90 2p30 s ILE 75 Cb -0.19 -3.13 0.01 0.00 0.13 0.00 0.00 42.46 39.29 2p30 s ILE 75 CO 0.57 -0.04 0.95 -2.28 -1.91 0.00 0.00 174.94 172.23 2p30 s HIS 76 N -1.47 3.16 -1.09 3.50 5.65 -1.26 -4.04 115.29 119.74 2p30 s HIS 76 Ca 0.75 0.98 0.29 0.00 0.25 0.00 0.00 55.06 57.33 2p30 s HIS 76 Cb -0.34 -3.51 1.16 0.00 -1.18 0.00 0.00 32.58 28.71 2p30 s HIS 76 CO 0.39 -0.70 1.86 1.19 -0.65 0.00 0.00 174.74 176.82 2p30 n PHE 77 N 6.61 0.00 0.00 3.88 3.72 -1.26 -1.12 117.46 129.29 2p30 n PHE 77 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2p30 n PHE 77 Cb 0.48 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2p30 n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p30 n GLY 78 N 1.46 4.06 0.23 1.37 0.00 -1.26 -1.02 105.19 110.03 2p30 n GLY 78 Ca 0.08 0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.37 2p30 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p30 h ALA 79 N -0.92 1.00 -0.01 4.61 0.00 -1.05 -2.15 119.26 120.73 2p30 h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p30 h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2p30 h ALA 79 CO 0.00 0.00 -0.13 1.28 0.00 0.00 0.00 179.25 180.40 2p30 n LEU 80 N -2.68 0.65 -4.68 0.00 4.77 -0.19 -4.80 117.00 110.08 2p30 n LEU 80 Ca -0.00 -0.09 -0.46 0.00 -0.03 0.00 0.00 56.01 55.42 2p30 n LEU 80 Cb 0.17 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2p30 n LEU 80 CO 0.19 0.12 1.37 -0.62 -1.33 0.00 0.00 177.39 177.12 2p30 n GLU 81 N -0.80 2.26 -0.95 3.23 -0.58 -0.81 -0.81 120.64 122.18 2p30 n GLU 81 Ca 0.15 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.71 2p30 n GLU 81 Cb 0.29 -2.65 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 2p30 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p30 n GLY 82 N 3.96 0.87 3.75 0.62 0.00 0.13 -4.97 105.19 109.56 2p30 n GLY 82 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2p30 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p30 s ALA 83 N -3.60 3.48 0.12 4.61 0.00 0.01 -4.56 121.76 121.83 2p30 s ALA 83 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 2p30 s ALA 83 Cb 0.00 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 2p30 s ALA 83 CO 0.00 -0.46 1.14 -1.17 0.00 0.00 0.00 175.76 175.26 2p30 s LEU 84 N -0.94 4.43 0.31 0.00 2.96 -1.26 -1.02 118.68 123.17 2p30 s LEU 84 Ca 0.51 2.04 0.03 0.00 -0.22 0.00 0.00 54.13 56.49 2p30 s LEU 84 Cb -0.36 -3.59 0.61 0.00 0.50 0.00 0.00 46.19 43.35 2p30 s LEU 84 CO 0.43 -0.34 1.89 -0.25 -1.32 0.00 0.00 176.35 176.76 2p30 h TRP 85 N 5.93 1.00 -0.54 5.38 2.91 -1.66 -2.85 115.95 126.12 2p30 h TRP 85 Ca -0.43 0.03 0.08 0.00 1.13 0.00 0.00 58.89 59.70 2p30 h TRP 85 Cb 1.21 -0.32 -0.10 0.00 -0.51 0.00 0.00 29.16 29.44 2p30 h TRP 85 CO 0.65 0.46 -0.44 1.49 -1.03 0.00 0.00 178.44 179.57 2p30 h GLU 86 N 0.93 -0.24 -0.64 2.65 4.81 -1.91 -2.46 114.58 117.72 2p30 h GLU 86 Ca 0.42 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2p30 h GLU 86 Cb 0.38 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2p30 h GLU 86 CO -0.18 -0.16 0.00 0.25 -0.73 0.00 0.00 179.01 178.18 2p30 n THR 87 N -5.40 1.60 -2.07 0.32 -2.24 -1.13 -4.98 114.28 100.39 2p30 n THR 87 Ca 0.01 -1.02 -0.38 0.00 -2.27 0.00 0.00 64.05 60.39 2p30 n THR 87 Cb 0.35 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.64 2p30 n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2p30 s LEU 88 N -1.67 3.98 0.13 3.22 2.96 -0.93 -4.90 118.68 121.47 2p30 s LEU 88 Ca 0.44 2.51 -0.33 0.00 -0.22 0.00 0.00 54.13 56.53 2p30 s LEU 88 Cb 0.29 -4.21 -0.13 0.00 0.50 0.00 0.00 46.19 42.64 2p30 s LEU 88 CO 0.21 -1.14 1.69 -0.67 -1.32 0.00 0.00 176.35 175.12 2p30 n ASP 89 N -0.60 3.48 -0.39 3.68 -0.08 -1.26 -4.76 116.55 116.61 2p30 n ASP 89 Ca 0.08 1.05 0.33 0.00 -1.51 0.00 0.00 54.79 54.74 2p30 n ASP 89 Cb 0.46 -1.47 0.65 0.00 2.34 0.00 0.00 41.12 43.10 2p30 n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2p30 h PRO 90 N 6.96 0.16 -0.42 -0.67 0.11 -1.97 0.13 132.00 136.30 2p30 h PRO 90 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2p30 h PRO 90 Cb 1.24 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2p30 h PRO 90 CO 0.92 0.10 0.26 -0.09 -0.21 0.00 0.00 178.00 178.99 2p30 h ARG 91 N 0.16 0.52 -0.11 1.05 2.43 -2.00 -0.14 114.38 116.29 2p30 h ARG 91 Ca 0.67 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.64 2p30 h ARG 91 Cb 2.21 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.64 2p30 h ARG 91 CO -0.21 0.35 -0.64 1.88 -1.51 0.00 0.00 179.97 179.83 2p30 h TYR 92 N 0.54 0.53 -0.19 2.20 0.05 -1.14 -1.78 116.97 117.18 2p30 h TYR 92 Ca 0.16 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 2p30 h TYR 92 Cb -0.03 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 2p30 h TYR 92 CO -0.06 0.94 0.10 0.87 -1.05 0.00 0.00 178.16 178.96 2p30 h LYS 93 N 0.30 0.28 -0.64 4.88 1.57 -0.93 -1.02 116.57 121.00 2p30 h LYS 93 Ca -0.01 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2p30 h LYS 93 Cb 1.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2p30 h LYS 93 CO 0.11 0.28 0.13 0.93 -0.57 0.00 0.00 179.45 180.34 2p30 h GLU 94 N 0.20 1.03 -0.69 3.15 5.08 -1.01 -1.88 114.58 120.46 2p30 h GLU 94 Ca 0.07 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2p30 h GLU 94 Cb 0.09 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2p30 h GLU 94 CO -0.01 0.95 0.45 0.00 -1.00 0.00 0.00 179.01 179.39 2p30 h ALA 95 N 1.04 0.88 -0.12 3.43 0.00 -1.08 -1.96 119.26 121.45 2p30 h ALA 95 Ca 0.20 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2p30 h ALA 95 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2p30 h ALA 95 CO 0.01 0.27 -0.54 -0.07 0.00 0.00 0.00 179.25 178.92 2p30 h LEU 96 N 0.91 0.39 -0.25 0.00 3.38 -1.00 0.12 115.31 118.85 2p30 h LEU 96 Ca 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2p30 h LEU 96 Cb -0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2p30 h LEU 96 CO -0.07 0.85 0.04 -0.07 0.09 0.00 0.00 178.44 179.28 2p30 h LEU 97 N 0.27 0.41 -0.17 1.67 3.38 -1.03 -2.41 115.31 117.42 2p30 h LEU 97 Ca 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2p30 h LEU 97 Cb 1.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2p30 h LEU 97 CO 0.09 0.57 0.00 0.03 0.09 0.00 0.00 178.44 179.22 2p30 h ARG 98 N 0.23 0.00 -6.03 1.13 3.08 -1.36 -3.47 114.38 107.97 2p30 h ARG 98 Ca 0.08 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.72 2p30 h ARG 98 Cb 0.34 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.46 2p30 h ARG 98 CO 0.01 0.00 -0.81 0.34 -1.07 0.00 0.00 179.97 178.44 2p30 n PHE 99 N -2.33 -2.03 -3.53 3.04 7.35 0.36 -4.99 117.46 115.34 2p30 n PHE 99 Ca 0.05 0.87 -0.16 0.00 -0.76 0.00 0.00 57.45 57.45 2p30 n PHE 99 Cb 0.39 -4.50 -0.05 0.00 0.35 0.00 0.00 39.48 35.68 2p30 n PHE 99 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2p30 s GLN 100 N -5.95 1.06 -0.69 -4.13 -2.07 -0.90 -5.02 119.66 101.97 2p30 s GLN 100 Ca 0.08 0.02 -0.10 0.00 -1.82 0.00 0.00 55.36 53.54 2p30 s GLN 100 Cb -0.04 0.50 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2p30 s GLN 100 CO 0.80 -0.37 0.64 0.41 -1.32 0.00 0.00 175.29 175.45 2p30 n GLY 101 N 0.63 -0.98 3.24 2.60 0.00 -1.26 -4.73 105.19 104.69 2p30 n GLY 101 Ca -0.19 0.76 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 2p30 n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p30 s PHE 102 N -2.63 -0.72 -0.42 1.61 5.36 -1.26 -4.84 117.98 115.09 2p30 s PHE 102 Ca 0.11 1.42 0.02 0.00 -0.96 0.00 0.00 56.93 57.51 2p30 s PHE 102 Cb -0.01 0.26 0.13 0.00 -0.34 0.00 0.00 43.02 43.05 2p30 s PHE 102 CO 0.85 -0.44 0.21 -1.58 -1.46 0.00 0.00 175.22 172.80 2p30 s HIS 103 N 2.37 2.05 -0.18 10.12 5.65 -1.26 -0.26 115.29 133.77 2p30 s HIS 103 Ca -0.03 -2.36 -0.38 0.00 0.25 0.00 0.00 55.06 52.54 2p30 s HIS 103 Cb -0.11 -1.93 -0.14 0.00 -1.18 0.00 0.00 32.58 29.21 2p30 s HIS 103 CO -0.12 -0.80 1.77 -2.30 -0.65 0.00 0.00 174.74 172.64 2p30 n PRO 104 N 3.77 1.54 -1.63 2.88 -0.02 -1.25 -4.76 135.00 135.54 2p30 n PRO 104 Ca 0.07 0.57 -0.51 0.00 -2.02 0.00 0.00 63.50 61.60 2p30 n PRO 104 Cb 0.36 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 2p30 n PRO 104 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2p30 n PRO 105 N 5.65 1.61 -0.16 0.52 -0.04 -1.26 0.37 135.00 141.69 2p30 n PRO 105 Ca 0.25 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2p30 n PRO 105 Cb 0.19 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 2p30 n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2p30 n GLY 106 N 4.91 1.22 0.00 0.55 0.00 -1.26 -0.52 105.19 110.08 2p30 n GLY 106 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2p30 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p30 n GLY 107 N -2.00 4.41 3.81 -0.02 0.00 0.16 -4.38 105.19 107.17 2p30 n GLY 107 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2p30 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p30 s GLU 108 N 2.44 4.25 0.60 1.61 2.02 -0.28 -4.84 118.70 124.51 2p30 s GLU 108 Ca 0.00 0.82 -0.17 0.00 0.02 0.00 0.00 54.97 55.64 2p30 s GLU 108 Cb 0.00 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 2p30 s GLU 108 CO 0.00 0.51 1.12 -1.54 0.02 0.00 0.00 175.26 175.38 2p30 s SER 109 N -1.41 5.42 0.46 -0.19 1.04 -1.26 -3.80 113.70 113.96 2p30 s SER 109 Ca 0.37 2.11 0.12 0.00 0.48 0.00 0.00 55.95 59.02 2p30 s SER 109 Cb -0.18 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.41 2p30 s SER 109 CO 0.21 -1.42 2.06 0.25 0.98 0.00 0.00 173.24 175.32 2p30 h LEU 110 N 0.66 0.16 -0.38 2.42 5.85 -1.03 -1.34 115.31 121.66 2p30 h LEU 110 Ca -0.49 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 2p30 h LEU 110 Cb 1.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2p30 h LEU 110 CO 0.56 0.18 -0.09 0.77 -0.34 0.00 0.00 178.44 179.52 2p30 h SER 111 N 0.19 0.73 -0.23 1.25 4.64 -1.92 -0.33 113.55 117.88 2p30 h SER 111 Ca 0.05 -0.36 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 2p30 h SER 111 Cb 0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2p30 h SER 111 CO -0.00 0.93 -0.30 0.00 -0.87 0.00 0.00 176.83 176.58 2p30 h ALA 112 N 0.83 0.83 0.55 5.18 0.00 -1.87 -1.17 119.26 123.61 2p30 h ALA 112 Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2p30 h ALA 112 Cb 0.61 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2p30 h ALA 112 CO 0.04 0.64 -0.26 0.35 0.00 0.00 0.00 179.25 180.02 2p30 h PHE 113 N 0.62 -0.68 0.00 0.00 3.57 -1.09 -2.30 116.94 117.06 2p30 h PHE 113 Ca 0.07 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2p30 h PHE 113 Cb 0.82 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2p30 h PHE 113 CO 0.04 -0.40 -0.19 1.96 -2.23 0.00 0.00 178.31 177.49 2p30 h GLN 114 N -0.78 0.00 -0.44 1.11 4.20 -1.02 -2.48 115.11 115.69 2p30 h GLN 114 Ca -0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2p30 h GLN 114 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2p30 h GLN 114 CO 0.12 0.19 0.00 1.49 -0.67 0.00 0.00 178.83 179.97 2p30 h GLU 115 N 0.00 0.77 -0.10 1.46 4.81 -0.95 -0.61 114.58 119.96 2p30 h GLU 115 Ca -0.00 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 2p30 h GLU 115 Cb 0.37 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2p30 h GLU 115 CO 0.03 0.84 -0.49 0.07 -0.73 0.00 0.00 179.01 178.72 2p30 h ARG 116 N 0.61 0.26 0.45 1.92 0.11 -1.13 -0.67 114.38 115.93 2p30 h ARG 116 Ca 0.12 -0.15 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 2p30 h ARG 116 Cb 0.49 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2p30 h ARG 116 CO 0.02 0.70 -0.22 0.28 0.10 0.00 0.00 179.97 180.85 2p30 h VAL 117 N 0.21 0.46 -0.29 0.08 2.07 -1.25 -1.64 116.25 115.89 2p30 h VAL 117 Ca 0.01 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2p30 h VAL 117 Cb 0.94 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2p30 h VAL 117 CO 0.08 0.07 -0.05 -0.26 0.02 0.00 0.00 177.57 177.42 2p30 h PHE 118 N -0.90 0.47 -0.62 1.57 0.04 -1.13 -2.00 116.94 114.37 2p30 h PHE 118 Ca -0.06 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 2p30 h PHE 118 Cb 0.57 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 2p30 h PHE 118 CO 0.01 0.51 0.16 -0.09 -0.60 0.00 0.00 178.31 178.30 2p30 h ARG 119 N 0.43 0.99 -0.42 1.51 2.43 -1.11 -2.03 114.38 116.17 2p30 h ARG 119 Ca 0.09 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2p30 h ARG 119 Cb 0.37 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2p30 h ARG 119 CO 0.02 0.89 0.26 0.35 -1.51 0.00 0.00 179.97 179.98 2p30 h PHE 120 N 0.91 0.55 -0.89 2.20 3.57 -0.71 -2.64 116.94 119.92 2p30 h PHE 120 Ca 0.20 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2p30 h PHE 120 Cb 0.34 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2p30 h PHE 120 CO 0.02 0.37 0.59 -0.07 -2.23 0.00 0.00 178.31 176.99 2p30 h LEU 121 N 0.56 0.98 -1.32 0.59 3.38 -1.06 -1.29 115.31 117.15 2p30 h LEU 121 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2p30 h LEU 121 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2p30 h LEU 121 CO -0.03 0.68 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 2p30 h GLU 122 N 1.14 0.00 0.00 1.13 3.07 -1.01 -2.02 114.58 116.89 2p30 h GLU 122 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2p30 h GLU 122 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2p30 h GLU 122 CO -0.10 0.00 -0.30 0.41 -1.40 0.00 0.00 179.01 177.62 2p30 n GLY 123 N -0.37 -1.44 3.73 -3.84 0.00 -0.49 -4.85 105.19 97.93 2p30 n GLY 123 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2p30 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p30 s LEU 124 N -3.57 4.41 0.00 0.99 1.43 -0.76 -4.93 118.68 116.26 2p30 s LEU 124 Ca 0.11 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.43 2p30 s LEU 124 Cb 0.16 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 2p30 s LEU 124 CO 0.64 -0.43 0.34 0.29 0.23 0.00 0.00 176.35 177.42 2p30 n LYS 125 N 3.19 4.29 -3.75 1.70 5.02 -1.26 -5.03 118.16 122.32 2p30 n LYS 125 Ca 0.07 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 2p30 n LYS 125 Cb 0.45 -0.87 -0.07 0.00 -0.02 0.00 0.00 35.03 34.53 2p30 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p30 s ALA 126 N -1.64 -0.65 0.30 7.82 0.00 -1.26 -5.13 121.76 121.20 2p30 s ALA 126 Ca 0.03 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 2p30 s ALA 126 Cb 0.06 0.45 -0.15 0.00 0.00 0.00 0.00 23.12 23.48 2p30 s ALA 126 CO 0.29 -0.49 0.68 -2.30 0.00 0.00 0.00 175.76 173.94 2p30 n PRO 127 N 0.23 0.64 -3.68 0.00 -0.02 -1.26 -4.97 135.00 125.93 2p30 n PRO 127 Ca -0.17 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 2p30 n PRO 127 Cb 0.61 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 2p30 n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p30 s ALA 128 N -1.18 -1.01 -0.19 3.55 0.00 -1.21 -4.19 121.76 117.53 2p30 s ALA 128 Ca 0.62 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2p30 s ALA 128 Cb -0.75 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2p30 s ALA 128 CO 0.58 -0.77 -0.03 0.08 0.00 0.00 0.00 175.76 175.62 2p30 s VAL 129 N -3.85 3.75 -0.29 0.00 1.01 -0.04 -0.95 120.40 120.04 2p30 s VAL 129 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2p30 s VAL 129 Cb -0.01 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.72 2p30 s VAL 129 CO -0.06 0.45 0.03 -0.76 0.00 0.00 0.00 175.10 174.77 2p30 s LEU 130 N 0.89 3.72 -0.46 3.92 1.43 0.12 -1.53 118.68 126.77 2p30 s LEU 130 Ca -0.00 -0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 51.97 2p30 s LEU 130 Cb -0.14 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.31 2p30 s LEU 130 CO 0.02 -0.20 0.82 -0.36 0.23 0.00 0.00 176.35 176.85 2p30 s PHE 131 N 1.40 2.97 0.00 0.29 0.08 -0.21 -0.38 117.98 122.13 2p30 s PHE 131 Ca 0.00 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2p30 s PHE 131 Cb -0.18 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.53 2p30 s PHE 131 CO -0.00 -1.03 0.00 -2.37 -0.10 0.00 0.00 175.22 171.72 2p30 n THR 132 N 6.20 0.00 -4.52 0.64 5.66 -0.28 -1.17 114.28 120.81 2p30 n THR 132 Ca 0.03 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.79 2p30 n THR 132 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 2p30 n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2p30 s HIS 133 N 1.06 2.22 0.23 1.09 3.76 -1.26 -2.32 115.29 120.07 2p30 s HIS 133 Ca 0.00 -0.73 -0.06 0.00 -0.15 0.00 0.00 55.06 54.11 2p30 s HIS 133 Cb 0.00 -1.44 0.38 0.00 1.11 0.00 0.00 32.58 32.63 2p30 s HIS 133 CO 0.00 0.31 1.74 0.78 -0.85 0.00 0.00 174.74 176.72 2p30 h GLY 134 N 2.02 1.03 1.54 -2.22 0.00 -1.94 -1.52 103.07 101.98 2p30 h GLY 134 Ca -0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 2p30 h GLY 134 CO 0.73 -0.04 -0.07 -1.33 0.00 0.00 0.00 176.54 175.83 2p30 h GLY 135 N 0.46 0.61 0.62 4.60 0.00 -1.96 -0.55 103.07 106.85 2p30 h GLY 135 Ca 0.37 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2p30 h GLY 135 CO -0.35 0.37 -0.02 -2.08 0.00 0.00 0.00 176.54 174.47 2p30 h VAL 136 N 0.53 1.23 -0.62 4.60 2.07 -1.68 -0.75 116.25 121.63 2p30 h VAL 136 Ca 0.10 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2p30 h VAL 136 Cb 0.45 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2p30 h VAL 136 CO 0.02 0.22 0.38 0.58 0.02 0.00 0.00 177.57 178.79 2p30 h VAL 137 N -0.43 1.07 -0.69 2.57 2.07 -1.20 -1.64 116.25 118.00 2p30 h VAL 137 Ca -0.01 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2p30 h VAL 137 Cb 0.40 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2p30 h VAL 137 CO 0.01 0.14 0.33 -0.09 0.02 0.00 0.00 177.57 177.97 2p30 h ARG 138 N 0.74 1.00 -0.10 1.57 2.43 -1.03 -0.72 114.38 118.27 2p30 h ARG 138 Ca 0.25 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2p30 h ARG 138 Cb 0.02 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2p30 h ARG 138 CO -0.10 0.79 -0.01 0.00 -1.51 0.00 0.00 179.97 179.14 2p30 h ALA 139 N 1.16 0.08 -0.11 2.80 0.00 -0.65 0.67 119.26 123.21 2p30 h ALA 139 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2p30 h ALA 139 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2p30 h ALA 139 CO -0.03 -0.48 0.07 0.28 0.00 0.00 0.00 179.25 179.09 2p30 h VAL 140 N 0.02 1.06 -0.70 0.00 2.07 -1.01 -2.18 116.25 115.50 2p30 h VAL 140 Ca 0.05 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2p30 h VAL 140 Cb 0.06 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2p30 h VAL 140 CO -0.09 0.05 0.20 -0.07 0.02 0.00 0.00 177.57 177.68 2p30 h LEU 141 N 0.12 1.02 -1.30 2.57 3.38 -0.98 -2.57 115.31 117.55 2p30 h LEU 141 Ca 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2p30 h LEU 141 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2p30 h LEU 141 CO -0.01 0.96 0.00 0.03 0.09 0.00 0.00 178.44 179.52 2p30 h ARG 142 N 1.04 0.47 0.00 1.13 3.08 -0.32 0.07 114.38 119.86 2p30 h ARG 142 Ca 0.23 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2p30 h ARG 142 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2p30 h ARG 142 CO -0.00 0.50 -0.18 0.00 -1.07 0.00 0.00 179.97 179.22 2p30 h ALA 143 N 1.55 1.25 -0.01 0.04 0.00 -0.99 -1.42 119.26 119.67 2p30 h ALA 143 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2p30 h ALA 143 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2p30 h ALA 143 CO 0.01 0.22 -0.09 1.28 0.00 0.00 0.00 179.25 180.67 2p30 n LEU 144 N -3.66 1.25 0.00 0.00 4.77 -0.40 -4.91 117.00 114.04 2p30 n LEU 144 Ca -0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2p30 n LEU 144 Cb 0.30 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2p30 n LEU 144 CO 0.32 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2p30 n GLY 145 N 1.23 0.74 3.75 -0.72 0.00 -0.54 -4.92 105.19 104.73 2p30 n GLY 145 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2p30 n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p30 s GLU 146 N -0.95 2.69 0.48 1.61 2.02 -0.13 -4.97 118.70 119.45 2p30 s GLU 146 Ca 0.00 -1.05 0.20 0.00 0.02 0.00 0.00 54.97 54.13 2p30 s GLU 146 Cb 0.00 -2.48 1.22 0.00 0.10 0.00 0.00 34.13 32.97 2p30 s GLU 146 CO 0.00 0.44 2.04 0.22 0.02 0.00 0.00 175.26 177.98 2p30 h ASP 147 N 2.20 0.00 -0.92 -0.19 3.58 -1.93 -2.40 116.42 116.77 2p30 h ASP 147 Ca -0.47 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 56.80 2p30 h ASP 147 Cb 1.22 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2p30 h ASP 147 CO 0.61 0.14 -0.20 0.61 -2.88 0.00 0.00 179.24 177.52 2p30 n GLY 148 N -0.95 0.45 3.41 -0.78 0.00 -1.26 -4.68 105.19 101.38 2p30 n GLY 148 Ca -0.02 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 2p30 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p30 s LEU 149 N -2.34 5.41 0.15 0.99 1.43 -1.26 -3.94 118.68 119.12 2p30 s LEU 149 Ca 0.00 -1.96 0.09 0.00 -1.03 0.00 0.00 54.13 51.23 2p30 s LEU 149 Cb 0.00 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2p30 s LEU 149 CO 0.00 -1.01 -0.13 0.68 0.23 0.00 0.00 176.35 176.12 2p30 s VAL 150 N 2.30 3.05 0.48 -1.59 -7.23 -1.26 -5.13 120.40 111.02 2p30 s VAL 150 Ca 0.24 -1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2p30 s VAL 150 Cb -0.11 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 2p30 s VAL 150 CO -0.04 -0.02 0.78 -2.16 -0.31 0.00 0.00 175.10 173.34 2p30 s PRO 151 N -2.54 3.48 0.36 4.82 0.04 -1.26 -5.01 135.00 134.89 2p30 s PRO 151 Ca 0.22 0.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 2p30 s PRO 151 Cb -0.10 -2.39 -0.12 0.00 0.04 0.00 0.00 34.50 31.94 2p30 s PRO 151 CO 0.13 -0.22 1.23 -2.30 0.04 0.00 0.00 177.00 175.88 2p30 n PRO 152 N -2.25 1.92 -1.00 0.56 -0.02 -1.26 -2.01 135.00 130.94 2p30 n PRO 152 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2p30 n PRO 152 Cb 0.55 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2p30 n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p30 n GLY 153 N 0.87 0.85 3.93 -1.23 0.00 0.76 -4.75 105.19 105.62 2p30 n GLY 153 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2p30 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p30 s SER 154 N -2.71 6.12 0.01 1.61 1.04 -0.85 -4.87 113.70 114.05 2p30 s SER 154 Ca 0.00 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.08 2p30 s SER 154 Cb 0.00 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.13 2p30 s SER 154 CO 0.00 -0.56 -0.07 0.00 0.98 0.00 0.00 173.24 173.59 2p30 s ALA 155 N -2.60 0.57 -0.03 5.32 0.00 -0.96 -0.92 121.76 123.15 2p30 s ALA 155 Ca 0.46 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.04 2p30 s ALA 155 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2p30 s ALA 155 CO 0.41 0.11 -0.07 0.54 0.00 0.00 0.00 175.76 176.75 2p30 s VAL 156 N -0.41 0.64 -0.18 0.00 0.11 -0.08 -0.50 120.40 119.97 2p30 s VAL 156 Ca 0.00 -0.25 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 2p30 s VAL 156 Cb -0.04 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2p30 s VAL 156 CO -0.00 0.22 0.02 0.00 -3.33 0.00 0.00 175.10 172.01 2p30 s ALA 157 N 0.43 3.20 0.08 1.54 0.00 0.11 -0.26 121.76 126.86 2p30 s ALA 157 Ca -0.06 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.14 2p30 s ALA 157 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2p30 s ALA 157 CO 0.00 0.06 -0.23 0.14 0.00 0.00 0.00 175.76 175.74 2p30 s VAL 158 N 0.61 1.86 -1.24 0.00 -7.23 -0.43 0.17 120.40 114.15 2p30 s VAL 158 Ca 0.01 -1.45 -0.13 0.00 -1.81 0.00 0.00 61.98 58.60 2p30 s VAL 158 Cb -0.14 -1.65 0.16 0.00 0.56 0.00 0.00 36.38 35.32 2p30 s VAL 158 CO 0.02 0.12 1.57 -0.67 -0.31 0.00 0.00 175.10 175.83 2p30 n ASP 159 N 1.41 5.14 -4.75 4.85 2.03 0.19 -1.22 116.55 124.20 2p30 n ASP 159 Ca -0.18 -2.99 -0.41 0.00 0.52 0.00 0.00 54.79 51.72 2p30 n ASP 159 Cb 0.53 -1.57 -0.01 0.00 -0.72 0.00 0.00 41.12 39.34 2p30 n ASP 159 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2p30 s TRP 160 N 1.63 2.77 -0.90 -0.67 -0.11 -0.53 0.23 118.94 121.36 2p30 s TRP 160 Ca 0.43 0.89 0.01 0.00 1.22 0.00 0.00 56.10 58.65 2p30 s TRP 160 Cb 0.01 -4.02 0.32 0.00 -1.50 0.00 0.00 33.47 28.28 2p30 s TRP 160 CO 0.01 -3.33 1.55 -0.35 -4.62 0.00 0.00 176.95 170.21 2p30 n PRO 161 N 1.92 4.75 0.03 5.86 -0.04 -1.26 0.45 135.00 146.71 2p30 n PRO 161 Ca 0.07 -4.72 -0.01 0.00 -0.04 0.00 0.00 63.50 58.80 2p30 n PRO 161 Cb 0.38 -2.41 -0.00 0.00 -0.04 0.00 0.00 33.50 31.43 2p30 n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p30 n ARG 162 N -0.02 0.04 -3.91 0.54 1.74 0.64 -4.98 116.66 110.71 2p30 n ARG 162 Ca 0.41 0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.42 2p30 n ARG 162 Cb 0.30 -0.46 -0.02 0.00 -1.02 0.00 0.00 32.46 31.27 2p30 n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2p30 s ARG 163 N -1.81 1.88 0.22 5.56 1.70 -1.09 -4.90 118.95 120.51 2p30 s ARG 163 Ca -0.02 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.65 2p30 s ARG 163 Cb 0.00 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2p30 s ARG 163 CO 0.04 -0.84 1.01 0.08 -1.08 0.00 0.00 175.30 174.50 2p30 s VAL 164 N -3.35 3.97 -0.20 4.99 1.01 -1.26 0.56 120.40 126.12 2p30 s VAL 164 Ca 0.18 1.88 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 2p30 s VAL 164 Cb -0.04 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 2p30 s VAL 164 CO 0.11 0.41 -0.21 0.18 0.00 0.00 0.00 175.10 175.58 2p30 n LEU 165 N 1.75 2.34 -3.83 3.92 4.77 0.45 -4.81 117.00 121.59 2p30 n LEU 165 Ca -0.00 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 2p30 n LEU 165 Cb 0.47 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 2p30 n LEU 165 CO 0.52 0.66 -0.20 -0.69 -1.33 0.00 0.00 177.39 176.34 2p30 s VAL 166 N -2.38 0.01 -0.19 4.08 1.01 -0.83 -4.96 120.40 117.14 2p30 s VAL 166 Ca -0.27 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2p30 s VAL 166 Cb 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.27 2p30 s VAL 166 CO 0.40 -0.05 -0.16 -0.13 0.00 0.00 0.00 175.10 175.17 2p30 s ARG 167 N -0.09 2.55 -0.17 2.72 0.52 -1.26 -0.71 118.95 122.51 2p30 s ARG 167 Ca -0.02 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.29 2p30 s ARG 167 Cb -0.02 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 2p30 s ARG 167 CO 0.00 -0.31 0.00 -0.51 0.02 0.00 0.00 175.30 174.51 2p30 s LEU 168 N 1.32 3.48 -1.12 2.53 1.43 0.34 -4.47 118.68 122.19 2p30 s LEU 168 Ca 0.02 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2p30 s LEU 168 Cb -0.15 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2p30 s LEU 168 CO -0.10 0.17 0.25 0.00 0.23 0.00 0.00 176.35 176.90 2p30 n ALA 169 N 3.53 -0.93 0.06 4.21 0.00 -1.26 -2.26 120.51 123.86 2p30 n ALA 169 Ca -0.17 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 2p30 n ALA 169 Cb 0.52 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.73 2p30 n ALA 169 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2p30 h MET 170 N -0.50 0.61 -6.84 0.00 4.05 -1.88 -3.41 114.93 106.96 2p30 h MET 170 Ca -0.35 -0.74 -0.56 0.00 -0.28 0.00 0.00 59.70 57.77 2p30 h MET 170 Cb 1.24 0.23 0.17 0.00 -0.80 0.00 0.00 31.60 32.44 2p30 h MET 170 CO 0.42 1.32 0.04 -0.25 0.23 0.00 0.00 176.91 178.67 2p30 n ASP 171 N -3.90 0.38 -2.34 1.39 8.00 -1.26 -4.60 116.55 114.22 2p30 n ASP 171 Ca -0.12 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2p30 n ASP 171 Cb 0.89 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 2p30 n ASP 171 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p30 n GLY 172 N 1.30 -0.34 3.75 0.44 0.00 -1.26 -4.97 105.19 104.10 2p30 n GLY 172 Ca 0.13 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 2p30 n GLY 172 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p30 s GLU 173 N -0.32 4.39 0.49 1.61 2.12 -1.26 -4.99 118.70 120.74 2p30 s GLU 173 Ca 0.00 2.11 -0.23 0.00 0.36 0.00 0.00 54.97 57.21 2p30 s GLU 173 Cb 0.00 -3.15 -0.07 0.00 0.26 0.00 0.00 34.13 31.18 2p30 s GLU 173 CO 0.00 -0.21 1.34 -2.00 -0.54 0.00 0.00 175.26 173.85 2p30 s GLU 174 N -0.78 3.47 -0.06 4.30 2.12 -1.26 -4.99 118.70 121.50 2p30 s GLU 174 Ca 0.53 2.19 0.02 0.00 0.36 0.00 0.00 54.97 58.08 2p30 s GLU 174 Cb -0.38 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 2p30 s GLU 174 CO 0.44 -0.91 -0.11 0.00 -0.54 0.00 0.00 175.26 174.13 2p30 s ALA 175 N -1.31 2.78 -0.03 6.30 0.00 -1.26 -5.11 121.76 123.13 2p30 s ALA 175 Ca 0.66 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.75 2p30 s ALA 175 Cb -0.39 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2p30 s ALA 175 CO 0.48 0.54 -0.25 0.99 0.00 0.00 0.00 175.76 177.51 2p30 s THR 176 N -0.68 2.03 0.00 0.00 2.01 -1.26 -5.30 115.64 112.43 2p30 s THR 176 Ca 0.10 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2p30 s THR 176 Cb -0.11 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.71 2p30 s THR 176 CO 0.01 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.12