#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmd s LYS 5 N 0.00 3.79 -0.22 1.64 3.01 -1.26 -4.67 119.74 122.03 2wmd s LYS 5 Ca 0.00 1.77 -0.09 0.00 -1.01 0.00 0.00 55.97 56.64 2wmd s LYS 5 Cb 0.00 -2.43 -0.04 0.00 -1.01 0.00 0.00 37.83 34.35 2wmd s LYS 5 CO 0.00 -0.52 0.11 -1.17 0.51 0.00 0.00 175.35 174.28 2wmd s LEU 6 N -2.98 3.93 -0.19 3.17 2.96 -1.26 -1.66 118.68 122.65 2wmd s LEU 6 Ca 0.63 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 2wmd s LEU 6 Cb -0.29 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2wmd s LEU 6 CO 0.35 0.10 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.74 2wmd s VAL 7 N 0.84 3.57 -0.24 1.68 1.01 -0.56 -0.50 120.40 126.21 2wmd s VAL 7 Ca 0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2wmd s VAL 7 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2wmd s VAL 7 CO 0.02 0.45 0.21 -0.69 0.00 0.00 0.00 175.10 175.09 2wmd s VAL 8 N 0.99 5.32 -0.26 2.92 1.01 -0.65 -2.53 120.40 127.21 2wmd s VAL 8 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2wmd s VAL 8 Cb -0.15 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2wmd s VAL 8 CO 0.01 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.70 2wmd s VAL 9 N 1.17 3.08 0.52 2.92 1.01 0.12 -1.05 120.40 128.18 2wmd s VAL 9 Ca 0.10 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2wmd s VAL 9 Cb -0.14 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 2wmd s VAL 9 CO 0.06 0.18 0.99 -0.36 0.00 0.00 0.00 175.10 175.97 2wmd s PHE 10 N 1.36 3.45 -0.95 5.22 0.40 0.31 -2.08 117.98 125.69 2wmd s PHE 10 Ca 0.01 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 2wmd s PHE 10 Cb -0.17 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.57 2wmd s PHE 10 CO -0.03 -0.41 0.00 0.41 0.70 0.00 0.00 175.22 175.89 2wmd n GLY 11 N -1.64 1.06 0.34 4.36 0.00 -1.25 -4.24 105.19 103.83 2wmd n GLY 11 Ca 0.07 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.60 2wmd n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wmd h GLY 12 N 0.00 0.68 1.44 -0.02 0.00 -1.75 0.63 103.07 104.05 2wmd h GLY 12 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2wmd h GLY 12 CO 0.27 0.15 0.00 -1.30 0.00 0.00 0.00 176.54 175.66 2wmd n THR 13 N -4.48 0.13 -3.60 4.70 -2.24 -1.26 -2.86 114.28 104.68 2wmd n THR 13 Ca 0.09 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2wmd n THR 13 Cb 0.28 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2wmd n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmd n GLY 14 N 0.85 3.52 0.37 3.38 0.00 0.20 -4.93 105.19 108.58 2wmd n GLY 14 Ca 0.14 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 2wmd n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmd h ALA 15 N 0.80 -0.90 0.79 4.61 0.00 -1.89 -1.38 119.26 121.29 2wmd h ALA 15 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2wmd h ALA 15 Cb 0.00 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wmd h ALA 15 CO 0.00 -0.84 -0.38 1.96 0.00 0.00 0.00 179.25 179.99 2wmd h GLN 16 N -1.23 -1.02 0.00 0.00 4.20 -1.87 -2.89 115.11 112.30 2wmd h GLN 16 Ca -0.09 0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2wmd h GLN 16 Cb 0.70 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2wmd h GLN 16 CO 0.15 -0.66 -0.27 0.78 -0.67 0.00 0.00 178.83 178.16 2wmd h GLY 17 N -1.16 0.00 0.98 3.46 0.00 -1.67 -1.74 103.07 102.94 2wmd h GLY 17 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2wmd h GLY 17 CO 0.18 0.00 0.23 -1.33 0.00 0.00 0.00 176.54 175.62 2wmd h GLY 18 N 1.23 0.84 0.95 4.60 0.00 -1.09 0.64 103.07 110.24 2wmd h GLY 18 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 2wmd h GLY 18 CO 0.03 0.41 0.17 0.23 0.00 0.00 0.00 176.54 177.39 2wmd h SER 19 N 0.72 0.57 0.08 0.19 0.87 -1.16 -0.06 113.55 114.77 2wmd h SER 19 Ca 0.18 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2wmd h SER 19 Cb 0.16 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2wmd h SER 19 CO -0.02 0.59 -0.05 0.58 -0.53 0.00 0.00 176.83 177.40 2wmd h VAL 20 N 0.53 0.89 -0.40 2.23 2.07 -1.13 -1.00 116.25 119.44 2wmd h VAL 20 Ca 0.14 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.57 2wmd h VAL 20 Cb 0.19 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2wmd h VAL 20 CO -0.01 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.50 2wmd h ALA 21 N 0.79 0.56 -0.54 1.67 0.00 -0.78 -0.25 119.26 120.71 2wmd h ALA 21 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2wmd h ALA 21 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wmd h ALA 21 CO 0.01 0.41 0.06 0.00 0.00 0.00 0.00 179.25 179.73 2wmd h ARG 22 N 0.59 0.91 -0.50 0.00 3.08 -0.92 0.19 114.38 117.72 2wmd h ARG 22 Ca 0.10 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2wmd h ARG 22 Cb 0.60 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2wmd h ARG 22 CO 0.04 0.89 0.27 1.15 -1.07 0.00 0.00 179.97 181.25 2wmd h THR 23 N 0.79 1.18 -0.57 2.04 2.02 -0.88 -1.40 112.91 116.09 2wmd h THR 23 Ca 0.16 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 2wmd h THR 23 Cb 0.44 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2wmd h THR 23 CO 0.02 0.19 -0.00 -0.07 0.37 0.00 0.00 175.52 176.02 2wmd h LEU 24 N 0.66 0.99 -0.59 2.58 4.07 -0.72 -0.16 115.31 122.15 2wmd h LEU 24 Ca 0.18 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2wmd h LEU 24 Cb 0.07 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 2wmd h LEU 24 CO -0.03 1.05 0.34 -0.07 -1.08 0.00 0.00 178.44 178.66 2wmd h LEU 25 N 0.89 0.72 -0.41 1.67 3.38 -0.74 -0.71 115.31 120.11 2wmd h LEU 25 Ca 0.16 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2wmd h LEU 25 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2wmd h LEU 25 CO 0.03 0.58 -0.06 -0.08 0.09 0.00 0.00 178.44 179.00 2wmd h GLU 26 N 0.79 0.77 -0.06 1.13 4.81 -1.08 -3.24 114.58 117.69 2wmd h GLU 26 Ca 0.21 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2wmd h GLU 26 Cb 0.01 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2wmd h GLU 26 CO -0.04 0.88 -0.03 0.22 -0.73 0.00 0.00 179.01 179.31 2wmd h ASP 27 N 0.59 0.14 0.00 1.04 3.58 -0.91 -3.49 116.42 117.36 2wmd h ASP 27 Ca 0.11 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2wmd h ASP 27 Cb 0.57 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2wmd h ASP 27 CO 0.03 0.52 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 2wmd n GLY 28 N 0.03 2.78 0.23 -0.78 0.00 -0.28 -4.93 105.19 102.23 2wmd n GLY 28 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2wmd n GLY 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wmd h THR 29 N 0.00 0.83 -3.27 2.61 2.02 -1.93 -3.42 112.91 109.75 2wmd h THR 29 Ca 0.00 -0.16 -0.64 0.00 0.77 0.00 0.00 66.41 66.38 2wmd h THR 29 Cb 0.00 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 66.63 2wmd h THR 29 CO 0.00 0.08 -0.64 -0.36 0.37 0.00 0.00 175.52 174.98 2wmd s PHE 30 N -6.10 3.07 0.50 3.16 0.08 -1.26 -1.25 117.98 116.18 2wmd s PHE 30 Ca -0.13 0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 2wmd s PHE 30 Cb 0.16 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.96 2wmd s PHE 30 CO 0.74 0.50 1.01 -1.59 -0.10 0.00 0.00 175.22 175.79 2wmd s LYS 31 N -2.36 3.82 -0.10 0.44 -2.85 -0.66 -4.77 119.74 113.25 2wmd s LYS 31 Ca 0.27 1.21 0.03 0.00 -1.00 0.00 0.00 55.97 56.48 2wmd s LYS 31 Cb -0.12 -2.11 0.01 0.00 -2.06 0.00 0.00 37.83 33.55 2wmd s LYS 31 CO 0.20 -0.40 -0.18 0.08 0.10 0.00 0.00 175.35 175.15 2wmd s VAL 32 N -2.23 1.67 -0.18 1.79 1.01 -1.26 -1.50 120.40 119.69 2wmd s VAL 32 Ca 0.64 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2wmd s VAL 32 Cb -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2wmd s VAL 32 CO 0.24 0.47 -0.10 -0.60 0.00 0.00 0.00 175.10 175.11 2wmd s ARG 33 N 0.66 3.31 -0.15 2.72 3.52 -1.05 -0.75 118.95 127.21 2wmd s ARG 33 Ca -0.13 -0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 54.73 2wmd s ARG 33 Cb -0.16 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2wmd s ARG 33 CO 0.03 -0.06 0.07 0.08 -0.81 0.00 0.00 175.30 174.61 2wmd s VAL 34 N 1.07 4.87 -0.23 7.11 1.01 0.55 0.11 120.40 134.89 2wmd s VAL 34 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 2wmd s VAL 34 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2wmd s VAL 34 CO -0.02 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.03 2wmd s VAL 35 N -0.13 5.05 0.02 2.92 1.01 -0.89 -0.68 120.40 127.70 2wmd s VAL 35 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2wmd s VAL 35 Cb -0.12 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2wmd s VAL 35 CO 0.01 0.36 0.03 0.28 0.00 0.00 0.00 175.10 175.78 2wmd s THR 36 N 1.06 0.10 -0.36 3.92 -1.32 -0.66 -3.82 115.64 114.57 2wmd s THR 36 Ca 0.06 -0.86 0.27 0.00 -1.21 0.00 0.00 61.69 59.95 2wmd s THR 36 Cb -0.14 -0.36 0.33 0.00 -1.51 0.00 0.00 72.50 70.82 2wmd s THR 36 CO 0.04 -0.47 1.77 0.03 -2.21 0.00 0.00 174.62 173.78 2wmd h ARG 37 N 4.46 0.00 -2.72 7.08 3.08 -1.84 -0.43 114.38 124.01 2wmd h ARG 37 Ca -0.32 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.15 2wmd h ARG 37 Cb 1.20 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.86 2wmd h ARG 37 CO 0.42 0.00 -0.82 1.21 -1.07 0.00 0.00 179.97 179.71 2wmd s ASN 38 N -5.37 3.20 0.19 7.04 3.84 -1.26 -4.78 114.94 117.80 2wmd s ASN 38 Ca 0.06 -2.17 0.17 0.00 0.21 0.00 0.00 52.86 51.13 2wmd s ASN 38 Cb 0.08 -0.54 0.81 0.00 -0.55 0.00 0.00 41.25 41.05 2wmd s ASN 38 CO 0.57 -0.32 1.52 -2.65 -2.79 0.00 0.00 177.10 173.43 2wmd n PRO 39 N 4.09 0.11 0.19 0.43 -0.02 -1.26 -2.39 135.00 136.15 2wmd n PRO 39 Ca 0.09 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 2wmd n PRO 39 Cb 0.37 -1.78 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2wmd n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wmd h ARG 40 N 0.00 0.00 -6.44 -0.52 3.08 -1.97 -3.39 114.38 105.15 2wmd h ARG 40 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2wmd h ARG 40 Cb 0.14 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.31 2wmd h ARG 40 CO 0.00 0.21 0.03 1.63 -1.07 0.00 0.00 179.97 180.77 2wmd n LYS 41 N -3.15 1.17 -0.28 0.04 5.02 -1.00 -4.78 118.16 115.18 2wmd n LYS 41 Ca 0.03 0.41 0.02 0.00 -2.02 0.00 0.00 58.31 56.75 2wmd n LYS 41 Cb 0.61 -1.76 0.09 0.00 -0.02 0.00 0.00 35.03 33.96 2wmd n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wmd h LYS 42 N 1.76 -0.01 -0.69 1.97 3.64 -1.91 -0.70 116.57 120.64 2wmd h LYS 42 Ca -0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2wmd h LYS 42 Cb 1.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 2wmd h LYS 42 CO 0.59 -0.00 0.43 0.00 -2.27 0.00 0.00 179.45 178.19 2wmd h ALA 43 N 1.76 1.46 -0.10 5.00 0.00 -1.92 0.39 119.26 125.85 2wmd h ALA 43 Ca 0.38 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 2wmd h ALA 43 Cb 0.59 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2wmd h ALA 43 CO -0.83 0.48 -0.75 0.00 0.00 0.00 0.00 179.25 178.15 2wmd h ALA 44 N 1.53 0.22 -0.80 0.00 0.00 -1.62 -2.96 119.26 115.64 2wmd h ALA 44 Ca 0.25 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2wmd h ALA 44 Cb -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2wmd h ALA 44 CO -0.05 0.58 0.36 0.87 0.00 0.00 0.00 179.25 181.01 2wmd h LYS 45 N 0.35 1.16 -0.76 0.00 1.57 0.03 -1.28 116.57 117.64 2wmd h LYS 45 Ca -0.07 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2wmd h LYS 45 Cb 1.40 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2wmd h LYS 45 CO 0.15 0.91 0.41 0.93 -0.57 0.00 0.00 179.45 181.28 2wmd h GLU 46 N 1.15 1.06 -0.33 3.15 5.08 -0.98 -1.11 114.58 122.60 2wmd h GLU 46 Ca 0.27 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 2wmd h GLU 46 Cb 0.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2wmd h GLU 46 CO -0.03 0.78 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.30 2wmd h LEU 47 N 1.07 0.85 -0.79 1.33 3.38 -1.20 -2.61 115.31 117.34 2wmd h LEU 47 Ca 0.27 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2wmd h LEU 47 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2wmd h LEU 47 CO -0.04 1.14 0.47 -0.09 0.09 0.00 0.00 178.44 180.01 2wmd h ARG 48 N 0.65 1.08 0.00 1.13 2.43 -0.43 -1.24 114.38 118.00 2wmd h ARG 48 Ca 0.05 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2wmd h ARG 48 Cb 0.95 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2wmd h ARG 48 CO 0.09 0.77 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.11 2wmd h LEU 49 N 1.09 0.00 -0.24 3.80 3.38 -0.98 -1.67 115.31 120.69 2wmd h LEU 49 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2wmd h LEU 49 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wmd h LEU 49 CO -0.05 0.14 -0.21 0.00 0.09 0.00 0.00 178.44 178.40 2wmd n GLN 50 N -3.43 0.53 0.00 1.13 6.02 -0.90 -4.93 117.38 115.81 2wmd n GLN 50 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2wmd n GLN 50 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2wmd n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wmd n GLY 51 N 1.36 0.95 3.76 1.08 0.00 -0.63 -4.91 105.19 106.80 2wmd n GLY 51 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2wmd n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmd s ALA 52 N -2.00 3.47 -0.26 4.61 0.00 -0.52 -4.78 121.76 122.28 2wmd s ALA 52 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2wmd s ALA 52 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 2wmd s ALA 52 CO 0.00 -0.47 1.28 -2.00 0.00 0.00 0.00 175.76 174.57 2wmd s GLU 53 N -1.28 4.01 -0.27 0.00 2.12 0.07 -4.29 118.70 119.06 2wmd s GLU 53 Ca 0.49 1.35 -0.07 0.00 0.36 0.00 0.00 54.97 57.10 2wmd s GLU 53 Cb -0.36 -3.84 -0.01 0.00 0.26 0.00 0.00 34.13 30.17 2wmd s GLU 53 CO 0.46 -1.00 0.07 0.08 -0.54 0.00 0.00 175.26 174.33 2wmd s VAL 54 N 4.11 4.16 0.10 3.70 1.01 -1.26 -0.33 120.40 131.88 2wmd s VAL 54 Ca 0.55 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.23 2wmd s VAL 54 Cb -0.18 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2wmd s VAL 54 CO 0.20 0.23 -0.22 0.68 0.00 0.00 0.00 175.10 175.99 2wmd s VAL 55 N 1.57 2.59 0.00 2.92 -7.23 0.15 -4.97 120.40 115.43 2wmd s VAL 55 Ca 0.05 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2wmd s VAL 55 Cb -0.16 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2wmd s VAL 55 CO 0.03 0.16 1.02 -1.58 -0.31 0.00 0.00 175.10 174.42 2wmd s GLN 56 N -1.91 4.53 -0.05 4.82 0.74 -1.26 -1.65 119.66 124.89 2wmd s GLN 56 Ca 0.16 1.47 -0.29 0.00 0.05 0.00 0.00 55.36 56.75 2wmd s GLN 56 Cb -0.10 -3.45 0.10 0.00 1.10 0.00 0.00 33.01 30.66 2wmd s GLN 56 CO 0.07 -0.10 0.86 0.20 -0.55 0.00 0.00 175.29 175.77 2wmd s GLY 57 N 1.03 -0.43 -0.07 2.59 0.00 -0.17 -4.87 107.32 105.40 2wmd s GLY 57 Ca 0.53 1.39 0.05 0.00 0.00 0.00 0.00 44.72 46.68 2wmd s GLY 57 CO 0.28 0.69 -0.22 -0.35 0.00 0.00 0.00 173.10 173.50 2wmd s ASP 58 N -1.76 3.33 0.03 1.64 -1.08 -1.26 -3.13 116.67 114.43 2wmd s ASP 58 Ca -0.01 -0.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.71 2wmd s ASP 58 Cb -0.01 -1.02 0.60 0.00 -1.46 0.00 0.00 42.92 41.04 2wmd s ASP 58 CO -0.02 0.24 1.44 0.00 0.52 0.00 0.00 175.17 177.35 2wmd n GLN 59 N 3.01 0.02 0.16 4.34 6.02 -1.26 -0.72 117.38 128.95 2wmd n GLN 59 Ca -0.18 0.29 0.13 0.00 -0.01 0.00 0.00 57.00 57.24 2wmd n GLN 59 Cb 0.52 -1.54 0.45 0.00 1.02 0.00 0.00 30.24 30.70 2wmd n GLN 59 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2wmd h ASP 60 N 0.00 0.00 -3.62 1.08 3.32 -1.96 -3.43 116.42 111.80 2wmd h ASP 60 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2wmd h ASP 60 Cb 0.23 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.52 2wmd h ASP 60 CO 0.00 0.00 -0.60 -1.81 -1.72 0.00 0.00 179.24 175.11 2wmd s ASP 61 N -4.85 5.26 0.13 6.45 1.01 0.10 -5.02 116.67 119.76 2wmd s ASP 61 Ca 0.06 -0.87 -0.16 0.00 0.71 0.00 0.00 52.55 52.29 2wmd s ASP 61 Cb 0.10 -1.89 -0.01 0.00 1.01 0.00 0.00 42.92 42.13 2wmd s ASP 61 CO 0.52 -0.25 1.69 -0.61 0.21 0.00 0.00 175.17 176.73 2wmd h GLN 62 N 8.25 0.58 -0.21 8.23 4.15 -1.88 0.10 115.11 134.34 2wmd h GLN 62 Ca -0.28 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.00 2wmd h GLN 62 Cb 1.11 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2wmd h GLN 62 CO 0.61 0.54 -0.01 0.28 -1.93 0.00 0.00 178.83 178.31 2wmd h VAL 63 N 0.49 1.26 -0.59 2.39 2.07 -1.96 -1.40 116.25 118.52 2wmd h VAL 63 Ca 0.13 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2wmd h VAL 63 Cb 0.16 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2wmd h VAL 63 CO -0.01 0.28 -0.03 0.40 0.02 0.00 0.00 177.57 178.23 2wmd h ILE 64 N 0.13 1.27 -0.75 4.57 2.04 -1.83 -0.27 117.51 122.66 2wmd h ILE 64 Ca 0.06 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 2wmd h ILE 64 Cb 0.43 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2wmd h ILE 64 CO 0.01 0.43 0.34 0.24 0.00 0.00 0.00 178.15 179.17 2wmd h MET 65 N 0.97 1.10 -0.69 2.37 2.86 -0.78 0.96 114.93 121.72 2wmd h MET 65 Ca 0.17 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2wmd h MET 65 Cb 0.59 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 2wmd h MET 65 CO 0.04 0.88 0.23 1.49 1.06 0.00 0.00 176.91 180.60 2wmd h GLU 66 N 1.07 1.05 -0.51 1.72 4.81 -0.44 -1.42 114.58 120.85 2wmd h GLU 66 Ca 0.25 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2wmd h GLU 66 Cb 0.16 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2wmd h GLU 66 CO -0.03 0.89 0.12 -0.07 -0.73 0.00 0.00 179.01 179.19 2wmd h LEU 67 N 1.02 0.72 -0.64 1.64 3.38 -0.79 -1.70 115.31 118.94 2wmd h LEU 67 Ca 0.23 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2wmd h LEU 67 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2wmd h LEU 67 CO -0.01 0.72 -0.25 0.00 0.09 0.00 0.00 178.44 178.98 2wmd h ALA 68 N 1.38 0.82 0.00 1.53 0.00 -0.40 -3.21 119.26 119.38 2wmd h ALA 68 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wmd h ALA 68 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wmd h ALA 68 CO -0.00 0.64 -0.51 -0.07 0.00 0.00 0.00 179.25 179.32 2wmd h LEU 69 N 0.69 0.00 -8.94 0.00 3.38 -1.11 -3.47 115.31 105.86 2wmd h LEU 69 Ca 0.09 -0.07 -0.76 0.00 0.09 0.00 0.00 57.88 57.23 2wmd h LEU 69 Cb 0.78 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.59 2wmd h LEU 69 CO 0.06 0.04 -0.07 -3.20 0.09 0.00 0.00 178.44 175.36 2wmd n ASN 70 N -2.51 -0.28 0.00 -0.43 5.15 -0.65 -2.24 115.26 114.30 2wmd n ASN 70 Ca 0.03 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 2wmd n ASN 70 Cb 0.49 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 2wmd n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wmd n GLY 71 N 1.60 0.61 3.71 8.20 0.00 -1.26 -4.97 105.19 113.07 2wmd n GLY 71 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2wmd n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmd s ALA 72 N -2.57 3.36 0.19 4.61 0.00 -0.95 -4.58 121.76 121.83 2wmd s ALA 72 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 2wmd s ALA 72 Cb 0.00 -3.01 0.10 0.00 0.00 0.00 0.00 23.12 20.20 2wmd s ALA 72 CO 0.00 -0.21 1.62 -0.92 0.00 0.00 0.00 175.76 176.24 2wmd h TYR 73 N 6.89 1.08 -3.26 0.00 3.20 -1.14 -3.42 116.97 120.32 2wmd h TYR 73 Ca -0.39 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.26 2wmd h TYR 73 Cb 1.19 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 2wmd h TYR 73 CO 0.66 1.02 0.11 0.00 -1.64 0.00 0.00 178.16 178.31 2wmd s ALA 74 N -4.81 -0.75 -0.04 1.82 0.00 -0.87 -1.99 121.76 115.13 2wmd s ALA 74 Ca -0.11 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 2wmd s ALA 74 Cb 0.13 0.91 0.03 0.00 0.00 0.00 0.00 23.12 24.20 2wmd s ALA 74 CO 0.85 -0.96 0.39 -0.08 0.00 0.00 0.00 175.76 175.97 2wmd s THR 75 N -3.68 0.04 -0.23 0.00 -1.32 -1.08 -1.64 115.64 107.73 2wmd s THR 75 Ca 0.16 -0.33 -0.07 0.00 -1.21 0.00 0.00 61.69 60.25 2wmd s THR 75 Cb -0.04 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 70.24 2wmd s THR 75 CO 0.09 -0.18 0.05 0.12 -2.21 0.00 0.00 174.62 172.49 2wmd s PHE 76 N -1.13 3.09 -0.19 9.09 5.36 -0.21 -1.29 117.98 132.70 2wmd s PHE 76 Ca -0.12 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 2wmd s PHE 76 Cb -0.04 -2.18 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 2wmd s PHE 76 CO 0.05 -0.28 -0.15 0.42 -1.46 0.00 0.00 175.22 173.81 2wmd s ILE 77 N 1.32 2.55 0.02 3.12 1.01 -0.71 -0.53 121.20 127.98 2wmd s ILE 77 Ca 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2wmd s ILE 77 Cb -0.15 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 2wmd s ILE 77 CO 0.03 0.50 -0.15 0.54 0.00 0.00 0.00 174.94 175.86 2wmd s VAL 78 N 1.26 1.22 0.21 2.92 0.11 -1.26 -1.23 120.40 123.62 2wmd s VAL 78 Ca 0.03 -0.89 0.12 0.00 -2.93 0.00 0.00 61.98 58.31 2wmd s VAL 78 Cb -0.14 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 2wmd s VAL 78 CO -0.08 0.16 -0.23 0.42 -3.33 0.00 0.00 175.10 172.04 2wmd s THR 79 N -0.65 2.40 -0.49 5.04 -4.23 -1.26 -4.61 115.64 111.84 2wmd s THR 79 Ca 0.04 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 2wmd s THR 79 Cb -0.07 -2.18 0.13 0.00 1.34 0.00 0.00 72.50 71.72 2wmd s THR 79 CO 0.01 -0.19 0.34 0.21 -0.54 0.00 0.00 174.62 174.45 2wmd s ASN 80 N -2.88 5.58 0.30 3.99 2.47 -1.26 -4.94 114.94 118.19 2wmd s ASN 80 Ca 0.23 -2.09 0.05 0.00 0.42 0.00 0.00 52.86 51.47 2wmd s ASN 80 Cb -0.07 -1.95 0.72 0.00 -1.45 0.00 0.00 41.25 38.50 2wmd s ASN 80 CO 0.11 -0.61 1.75 0.22 -3.72 0.00 0.00 177.10 174.85 2wmd h TYR 81 N 8.15 0.95 0.00 0.43 3.20 -1.95 -2.43 116.97 125.32 2wmd h TYR 81 Ca -0.15 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2wmd h TYR 81 Cb 1.05 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2wmd h TYR 81 CO 0.64 0.16 0.00 0.91 -1.64 0.00 0.00 178.16 178.23 2wmd n TRP 82 N -4.84 0.00 -0.01 -3.82 7.02 -1.26 -1.05 117.44 113.48 2wmd n TRP 82 Ca 0.23 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.53 2wmd n TRP 82 Cb 0.59 -0.26 -0.10 0.00 -2.42 0.00 0.00 31.31 29.12 2wmd n TRP 82 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2wmd h GLU 83 N 0.00 0.54 0.00 -0.99 4.57 -1.87 -3.38 114.58 113.46 2wmd h GLU 83 Ca 0.00 -0.51 -0.24 0.00 -1.18 0.00 0.00 59.36 57.43 2wmd h GLU 83 Cb 0.16 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 2wmd h GLU 83 CO 0.00 1.14 -2.05 -1.13 -1.18 0.00 0.00 179.01 175.79 2wmd n SER 84 N -4.14 1.03 -3.62 1.04 3.41 -1.10 -5.02 113.62 105.21 2wmd n SER 84 Ca -0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.29 2wmd n SER 84 Cb 0.69 1.07 0.06 0.00 -0.26 0.00 0.00 64.21 65.77 2wmd n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmd s SER 86 N -3.82 2.39 0.17 0.00 0.15 -1.26 -5.00 113.70 106.32 2wmd s SER 86 Ca 0.32 -0.64 -0.14 0.00 0.70 0.00 0.00 55.95 56.19 2wmd s SER 86 Cb -0.15 -0.25 0.05 0.00 -1.71 0.00 0.00 66.02 63.96 2wmd s SER 86 CO 0.76 -0.35 1.81 -0.61 1.20 0.00 0.00 173.24 176.05 2wmd h GLN 87 N 8.42 0.68 -0.97 5.44 4.15 -1.93 -2.49 115.11 128.40 2wmd h GLN 87 Ca -0.15 -0.06 0.15 0.00 0.77 0.00 0.00 58.65 59.36 2wmd h GLN 87 Cb 1.14 -0.15 -0.09 0.00 0.21 0.00 0.00 27.48 28.60 2wmd h GLN 87 CO 0.30 0.48 0.58 0.93 -1.93 0.00 0.00 178.83 179.19 2wmd h GLU 88 N 0.68 0.82 -0.04 1.69 5.08 -1.95 -0.71 114.58 120.15 2wmd h GLU 88 Ca 0.18 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.25 2wmd h GLU 88 Cb -0.03 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.05 2wmd h GLU 88 CO -0.04 0.54 -0.93 0.37 -1.00 0.00 0.00 179.01 177.95 2wmd h GLN 89 N 0.85 0.61 -0.66 2.33 4.15 -1.88 -0.99 115.11 119.51 2wmd h GLN 89 Ca 0.51 -0.60 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 2wmd h GLN 89 Cb 0.64 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 2wmd h GLN 89 CO -0.32 1.21 0.17 1.49 -1.93 0.00 0.00 178.83 179.46 2wmd h GLU 90 N 0.36 1.03 -0.71 1.69 4.81 -1.15 -1.68 114.58 118.93 2wmd h GLU 90 Ca -0.09 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 2wmd h GLU 90 Cb 1.57 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 2wmd h GLU 90 CO 0.18 0.90 0.17 0.28 -0.73 0.00 0.00 179.01 179.81 2wmd h VAL 91 N 0.98 1.26 -0.39 0.32 2.07 -1.02 -1.29 116.25 118.19 2wmd h VAL 91 Ca 0.21 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2wmd h VAL 91 Cb 0.33 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2wmd h VAL 91 CO -0.00 0.37 0.06 0.50 0.02 0.00 0.00 177.57 178.52 2wmd h LYS 92 N 1.07 0.65 0.24 1.57 3.64 -0.92 -1.00 116.57 121.81 2wmd h LYS 92 Ca 0.22 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2wmd h LYS 92 Cb 0.37 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2wmd h LYS 92 CO 0.00 0.71 -0.14 1.96 -2.27 0.00 0.00 179.45 179.71 2wmd h GLN 93 N 0.49 -0.34 -0.47 1.90 4.20 -1.24 0.16 115.11 119.82 2wmd h GLN 93 Ca 0.12 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2wmd h GLN 93 Cb 0.38 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2wmd h GLN 93 CO 0.01 -0.23 0.27 0.78 -0.67 0.00 0.00 178.83 178.99 2wmd h GLY 94 N -0.36 0.65 0.97 3.46 0.00 -1.00 -2.16 103.07 104.63 2wmd h GLY 94 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2wmd h GLY 94 CO 0.04 0.16 0.15 0.50 0.00 0.00 0.00 176.54 177.39 2wmd h LYS 95 N 0.54 0.36 -0.64 4.80 1.57 -1.08 -0.21 116.57 121.91 2wmd h LYS 95 Ca 0.19 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 2wmd h LYS 95 Cb 0.03 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.17 2wmd h LYS 95 CO -0.10 0.29 0.05 1.25 -0.57 0.00 0.00 179.45 180.37 2wmd h LEU 96 N 0.32 -0.19 -0.58 2.94 5.85 -0.51 -1.06 115.31 122.08 2wmd h LEU 96 Ca 0.09 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2wmd h LEU 96 Cb 0.03 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2wmd h LEU 96 CO -0.02 -0.09 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.57 2wmd h LEU 97 N 0.16 0.00 -0.51 2.25 3.38 -1.10 -2.15 115.31 117.34 2wmd h LEU 97 Ca 0.34 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 2wmd h LEU 97 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2wmd h LEU 97 CO -0.51 0.35 -0.50 0.00 0.09 0.00 0.00 178.44 177.88 2wmd h ALA 98 N 1.65 0.69 -0.29 1.53 0.00 -0.07 -1.72 119.26 121.04 2wmd h ALA 98 Ca -0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2wmd h ALA 98 Cb 1.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wmd h ALA 98 CO 0.05 0.68 -0.49 -0.44 0.00 0.00 0.00 179.25 179.04 2wmd h ASP 99 N 0.51 0.88 -0.23 0.00 3.32 -0.92 -2.22 116.42 117.76 2wmd h ASP 99 Ca 0.02 -0.44 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2wmd h ASP 99 Cb 1.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 2wmd h ASP 99 CO 0.10 1.22 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.74 2wmd h LEU 100 N 0.63 0.42 -0.80 1.55 3.38 -1.34 0.13 115.31 119.28 2wmd h LEU 100 Ca 0.03 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2wmd h LEU 100 Cb 1.08 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2wmd h LEU 100 CO 0.11 0.65 0.46 0.00 0.09 0.00 0.00 178.44 179.76 2wmd h ALA 101 N 0.78 1.12 -0.27 1.53 0.00 -1.28 -0.28 119.26 120.87 2wmd h ALA 101 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wmd h ALA 101 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wmd h ALA 101 CO 0.02 0.12 0.04 0.07 0.00 0.00 0.00 179.25 179.50 2wmd h ARG 102 N 0.81 0.45 -0.21 0.00 -0.00 -1.31 -0.96 114.38 113.15 2wmd h ARG 102 Ca 0.37 -0.12 -0.03 0.00 -0.00 0.00 0.00 59.98 60.20 2wmd h ARG 102 Cb 0.29 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.20 2wmd h ARG 102 CO -0.22 0.57 -0.00 -0.09 -0.00 0.00 0.00 179.97 180.23 2wmd h ARG 103 N 0.25 0.36 0.00 0.08 2.43 -0.24 -2.40 114.38 114.86 2wmd h ARG 103 Ca 0.08 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wmd h ARG 103 Cb 0.35 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2wmd h ARG 103 CO 0.01 0.56 0.00 1.28 -1.51 0.00 0.00 179.97 180.31 2wmd n LEU 104 N -4.68 0.00 -3.24 3.80 4.77 -0.16 -4.91 117.00 112.58 2wmd n LEU 104 Ca -0.04 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 2wmd n LEU 104 Cb 0.23 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2wmd n LEU 104 CO 0.37 -0.01 0.18 0.61 -1.33 0.00 0.00 177.39 177.21 2wmd n GLY 105 N 0.99 -0.44 3.67 -0.72 0.00 -0.88 -4.92 105.19 102.90 2wmd n GLY 105 Ca 0.19 0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.94 2wmd n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wmd n LEU 106 N -4.48 3.13 -0.17 0.99 4.32 -0.42 -4.87 117.00 115.50 2wmd n LEU 106 Ca -0.02 1.18 -0.02 0.00 -0.02 0.00 0.00 56.01 57.14 2wmd n LEU 106 Cb 0.57 -1.44 0.20 0.00 -1.62 0.00 0.00 43.42 41.13 2wmd n LEU 106 CO 0.57 -0.63 1.07 -0.74 -1.22 0.00 0.00 177.39 176.44 2wmd h HIS 107 N 2.97 0.91 -1.98 -1.77 2.76 -1.65 -3.45 115.15 112.94 2wmd h HIS 107 Ca -0.45 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 57.65 2wmd h HIS 107 Cb 1.29 -0.28 -0.21 0.00 1.55 0.00 0.00 27.41 29.75 2wmd h HIS 107 CO 0.52 0.69 0.14 -0.47 -1.30 0.00 0.00 177.93 177.51 2wmd s TYR 108 N -5.46 -0.79 0.00 5.26 5.04 -1.16 -4.77 117.35 115.48 2wmd s TYR 108 Ca -0.10 1.90 0.08 0.00 -2.44 0.00 0.00 57.07 56.50 2wmd s TYR 108 Cb 0.16 0.30 -0.02 0.00 0.35 0.00 0.00 41.96 42.75 2wmd s TYR 108 CO 0.80 -0.38 -0.25 0.08 -1.34 0.00 0.00 175.55 174.46 2wmd s VAL 109 N 0.45 2.22 -0.24 3.14 1.01 -0.13 -2.63 120.40 124.21 2wmd s VAL 109 Ca -0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.77 2wmd s VAL 109 Cb -0.05 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2wmd s VAL 109 CO -0.01 0.50 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 2wmd s VAL 110 N -0.70 3.22 -0.12 2.92 1.01 -0.41 -1.43 120.40 124.89 2wmd s VAL 110 Ca 0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2wmd s VAL 110 Cb -0.10 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2wmd s VAL 110 CO 0.01 0.31 -0.04 -0.47 0.00 0.00 0.00 175.10 174.90 2wmd s TYR 111 N 1.42 3.02 -1.18 5.22 5.04 -0.59 -1.74 117.35 128.54 2wmd s TYR 111 Ca 0.03 -0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.39 2wmd s TYR 111 Cb -0.15 -1.85 0.14 0.00 0.35 0.00 0.00 41.96 40.45 2wmd s TYR 111 CO -0.03 0.16 1.44 0.45 -1.34 0.00 0.00 175.55 176.23 2wmd s SER 112 N -0.21 6.95 0.57 4.32 0.15 -0.37 -0.49 113.70 124.63 2wmd s SER 112 Ca 0.04 -2.72 -0.01 0.00 0.70 0.00 0.00 55.95 53.95 2wmd s SER 112 Cb -0.13 -2.44 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2wmd s SER 112 CO 0.02 -0.89 0.28 0.61 1.20 0.00 0.00 173.24 174.46 2wmd n GLY 113 N 4.61 0.37 3.51 9.45 0.00 -0.88 -4.79 105.19 117.46 2wmd n GLY 113 Ca 0.37 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 2wmd n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wmd s LEU 114 N 0.00 0.35 0.42 0.99 1.43 -1.26 -3.97 118.68 116.64 2wmd s LEU 114 Ca 0.18 -0.72 -0.26 0.00 -1.03 0.00 0.00 54.13 52.29 2wmd s LEU 114 Cb -0.01 1.82 -0.09 0.00 0.03 0.00 0.00 46.19 47.94 2wmd s LEU 114 CO 0.12 -1.05 1.42 -1.61 0.23 0.00 0.00 176.35 175.46 2wmd s GLU 115 N -3.94 3.87 -1.07 1.70 8.01 -1.26 -3.05 118.70 122.95 2wmd s GLU 115 Ca 0.15 2.42 -0.22 0.00 0.01 0.00 0.00 54.97 57.34 2wmd s GLU 115 Cb -0.00 -2.78 0.04 0.00 -4.31 0.00 0.00 34.13 27.08 2wmd s GLU 115 CO 0.02 -0.67 1.59 1.21 0.01 0.00 0.00 175.26 177.42 2wmd s ASN 116 N -0.43 6.34 0.13 -0.19 3.84 -1.26 -3.94 114.94 119.43 2wmd s ASN 116 Ca 0.58 -1.58 -0.17 0.00 0.21 0.00 0.00 52.86 51.90 2wmd s ASN 116 Cb -0.44 -2.57 -0.02 0.00 -0.55 0.00 0.00 41.25 37.67 2wmd s ASN 116 CO 0.57 -1.66 1.72 0.40 -2.79 0.00 0.00 177.10 175.34 2wmd h ILE 117 N 6.57 1.15 -0.81 -5.21 2.04 -1.89 -1.30 117.51 118.06 2wmd h ILE 117 Ca 0.24 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2wmd h ILE 117 Cb 0.98 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2wmd h ILE 117 CO 1.40 0.16 0.50 0.50 0.00 0.00 0.00 178.15 180.71 2wmd h LYS 118 N 0.43 1.08 -0.08 2.37 3.64 -1.86 0.11 116.57 122.25 2wmd h LYS 118 Ca 0.12 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2wmd h LYS 118 Cb 0.09 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2wmd h LYS 118 CO -0.02 0.74 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.35 2wmd h LYS 119 N 1.11 0.38 0.00 1.90 3.64 -1.78 0.25 116.57 122.06 2wmd h LYS 119 Ca 0.29 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2wmd h LYS 119 Cb -0.08 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2wmd h LYS 119 CO -0.06 0.92 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.76 2wmd h LEU 120 N -0.09 0.00 -2.16 5.20 3.38 -0.91 0.35 115.31 121.08 2wmd h LEU 120 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wmd h LEU 120 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wmd h LEU 120 CO 0.07 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.17 2wmd n THR 121 N -3.63 0.78 -4.09 0.22 -2.24 0.35 -4.94 114.28 100.73 2wmd n THR 121 Ca -0.01 -0.78 -0.32 0.00 -2.27 0.00 0.00 64.05 60.67 2wmd n THR 121 Cb 0.35 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 2wmd n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wmd n ALA 122 N 1.22 -1.48 -0.13 6.98 0.00 0.11 -1.83 120.51 125.39 2wmd n ALA 122 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2wmd n ALA 122 Cb 0.50 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2wmd n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmd n GLY 123 N -1.61 1.58 0.26 0.00 0.00 0.86 -4.93 105.19 101.34 2wmd n GLY 123 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2wmd n GLY 123 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wmd h ARG 124 N 3.02 0.76 -5.76 1.61 3.08 -1.61 -3.43 114.38 112.05 2wmd h ARG 124 Ca 0.00 -0.34 -0.53 0.00 0.07 0.00 0.00 59.98 59.18 2wmd h ARG 124 Cb 0.00 -0.02 -0.26 0.00 0.08 0.00 0.00 29.97 29.77 2wmd h ARG 124 CO 0.00 0.96 -0.83 -0.51 -1.07 0.00 0.00 179.97 178.52 2wmd s LEU 125 N -8.81 2.14 -0.03 3.04 1.43 -1.26 -5.14 118.68 110.05 2wmd s LEU 125 Ca -0.09 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2wmd s LEU 125 Cb 0.12 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.50 2wmd s LEU 125 CO 0.84 0.14 -0.12 0.00 0.23 0.00 0.00 176.35 177.44 2wmd s ALA 126 N -0.72 1.07 -0.25 4.21 0.00 -1.26 -3.04 121.76 121.77 2wmd s ALA 126 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 2wmd s ALA 126 Cb -0.08 -0.38 0.12 0.00 0.00 0.00 0.00 23.12 22.78 2wmd s ALA 126 CO 0.01 0.18 0.27 0.00 0.00 0.00 0.00 175.76 176.23 2wmd s ALA 127 N 0.14 -0.43 0.27 0.00 0.00 -1.26 -4.69 121.76 115.79 2wmd s ALA 127 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2wmd s ALA 127 Cb -0.09 -1.60 0.54 0.00 0.00 0.00 0.00 23.12 21.97 2wmd s ALA 127 CO 0.01 -1.48 1.81 0.00 0.00 0.00 0.00 175.76 176.10 2wmd h ALA 128 N 8.28 1.42 0.00 0.00 0.00 -1.97 0.11 119.26 127.09 2wmd h ALA 128 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wmd h ALA 128 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2wmd h ALA 128 CO 0.31 0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.28 2wmd n HIS 129 N -4.71 0.81 -0.14 0.00 1.44 -1.26 -3.12 115.22 108.23 2wmd n HIS 129 Ca 0.18 0.31 -0.29 0.00 -2.01 0.00 0.00 57.72 55.91 2wmd n HIS 129 Cb 0.38 -1.00 -0.10 0.00 0.12 0.00 0.00 29.99 29.39 2wmd n HIS 129 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2wmd n PHE 130 N -2.23 0.07 -0.33 -1.40 3.01 0.07 -4.53 117.46 112.11 2wmd n PHE 130 Ca 0.02 0.03 0.03 0.00 1.01 0.00 0.00 57.45 58.54 2wmd n PHE 130 Cb 0.24 -1.01 0.21 0.00 -0.01 0.00 0.00 39.48 38.91 2wmd n PHE 130 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2wmd h ASP 131 N -0.98 0.97 -0.18 4.37 3.32 -0.91 -0.95 116.42 122.07 2wmd h ASP 131 Ca -0.68 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.17 2wmd h ASP 131 Cb 1.61 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.96 2wmd h ASP 131 CO -0.41 0.63 -0.69 1.23 -1.72 0.00 0.00 179.24 178.28 2wmd h GLY 132 N 1.11 0.86 1.17 2.75 0.00 -1.80 -1.45 103.07 105.71 2wmd h GLY 132 Ca 0.40 -1.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2wmd h GLY 132 CO -0.15 1.04 0.46 0.50 0.00 0.00 0.00 176.54 178.39 2wmd h LYS 133 N 0.51 1.09 -0.53 4.80 1.57 -1.63 -1.43 116.57 120.95 2wmd h LYS 133 Ca -0.04 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 2wmd h LYS 133 Cb 1.32 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2wmd h LYS 133 CO 0.14 0.78 -0.08 0.78 -0.57 0.00 0.00 179.45 180.50 2wmd h GLY 134 N 1.13 1.05 0.86 3.86 0.00 -0.98 -0.33 103.07 108.65 2wmd h GLY 134 Ca 0.28 -0.81 0.02 0.00 0.00 0.00 0.00 47.33 46.83 2wmd h GLY 134 CO -0.05 0.74 0.18 -2.09 0.00 0.00 0.00 176.54 175.32 2wmd h GLU 135 N 0.87 0.36 -0.63 4.80 4.81 -1.00 -2.81 114.58 120.99 2wmd h GLU 135 Ca 0.14 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2wmd h GLU 135 Cb 0.62 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 2wmd h GLU 135 CO 0.04 0.24 0.33 0.28 -0.73 0.00 0.00 179.01 179.17 2wmd h VAL 136 N 0.37 1.21 -0.36 0.32 2.07 -0.74 -0.26 116.25 118.87 2wmd h VAL 136 Ca 0.14 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.19 2wmd h VAL 136 Cb 0.04 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2wmd h VAL 136 CO -0.09 0.23 -0.05 -0.33 0.02 0.00 0.00 177.57 177.35 2wmd h GLU 137 N 0.86 0.05 -0.56 1.57 5.08 -1.05 -1.51 114.58 119.02 2wmd h GLU 137 Ca 0.22 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2wmd h GLU 137 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2wmd h GLU 137 CO -0.03 0.03 0.20 1.49 -1.00 0.00 0.00 179.01 179.70 2wmd h GLU 138 N 0.05 0.86 -0.82 2.33 4.81 -1.18 -2.92 114.58 117.71 2wmd h GLU 138 Ca 0.17 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2wmd h GLU 138 Cb 0.26 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 2wmd h GLU 138 CO -0.33 0.76 0.54 -0.92 -0.73 0.00 0.00 179.01 178.32 2wmd h TYR 139 N 0.78 1.04 -0.71 0.92 5.03 -0.11 0.22 116.97 124.13 2wmd h TYR 139 Ca 0.19 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.59 2wmd h TYR 139 Cb 0.24 -0.35 -0.06 0.00 1.55 0.00 0.00 36.73 38.10 2wmd h TYR 139 CO 0.01 0.66 0.38 0.74 -1.32 0.00 0.00 178.16 178.64 2wmd h PHE 140 N 1.11 0.69 -0.24 -3.82 0.04 -1.13 -1.05 116.94 112.54 2wmd h PHE 140 Ca 0.30 0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.90 2wmd h PHE 140 Cb -0.11 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.83 2wmd h PHE 140 CO -0.01 0.29 -0.61 0.00 -0.60 0.00 0.00 178.31 177.38 2wmd h ARG 141 N 0.67 0.82 0.00 1.51 -0.00 -1.19 -0.76 114.38 115.43 2wmd h ARG 141 Ca 0.34 -0.55 -0.02 0.00 -0.50 0.00 0.00 59.98 59.24 2wmd h ARG 141 Cb 0.29 0.08 -0.00 0.00 0.00 0.00 0.00 29.97 30.34 2wmd h ARG 141 CO -0.23 1.18 -0.12 -0.44 0.00 0.00 0.00 179.97 180.36 2wmd h ASP 142 N 0.61 0.00 -0.60 7.04 3.32 0.05 -2.44 116.42 124.39 2wmd h ASP 142 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wmd h ASP 142 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2wmd h ASP 142 CO 0.13 0.12 0.00 2.30 -1.72 0.00 0.00 179.24 180.07 2wmd n ILE 143 N -3.73 1.15 -2.49 0.35 -5.35 -0.46 -4.96 119.36 103.87 2wmd n ILE 143 Ca -0.02 -1.05 -0.09 0.00 -0.27 0.00 0.00 62.75 61.32 2wmd n ILE 143 Cb 0.23 0.43 0.01 0.00 -1.74 0.00 0.00 39.64 38.57 2wmd n ILE 143 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmd n GLY 144 N 1.20 0.17 3.63 3.28 0.00 -0.92 -4.99 105.19 107.57 2wmd n GLY 144 Ca 0.21 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2wmd n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wmd s VAL 145 N -2.71 5.22 -0.50 1.61 1.01 -0.32 -5.01 120.40 119.70 2wmd s VAL 145 Ca 0.10 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 2wmd s VAL 145 Cb -0.04 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2wmd s VAL 145 CO 0.12 0.22 1.69 -2.16 0.00 0.00 0.00 175.10 174.97 2wmd s PRO 146 N 1.65 3.08 -0.01 2.72 0.04 -1.26 -4.49 135.00 136.73 2wmd s PRO 146 Ca 0.15 0.82 0.01 0.00 0.04 0.00 0.00 61.00 62.02 2wmd s PRO 146 Cb -0.15 -4.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.15 2wmd s PRO 146 CO 0.08 -2.18 -0.04 1.41 0.04 0.00 0.00 177.00 176.31 2wmd s MET 147 N 6.08 0.40 -0.14 4.56 1.75 -1.26 -0.96 119.30 129.73 2wmd s MET 147 Ca 0.66 -0.15 -0.03 0.00 -1.25 0.00 0.00 55.69 54.92 2wmd s MET 147 Cb -0.15 -0.40 -0.03 0.00 2.84 0.00 0.00 34.83 37.10 2wmd s MET 147 CO 0.26 0.08 -0.03 0.99 -0.65 0.00 0.00 175.02 175.67 2wmd s THR 148 N 0.01 3.94 -0.18 10.11 2.01 -0.52 -0.22 115.64 130.79 2wmd s THR 148 Ca 0.00 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 2wmd s THR 148 Cb -0.03 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2wmd s THR 148 CO -0.00 0.51 0.24 -0.55 -0.69 0.00 0.00 174.62 174.13 2wmd s SER 149 N 0.14 6.34 -0.24 3.53 0.15 -0.63 -1.53 113.70 121.45 2wmd s SER 149 Ca -0.01 0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.94 2wmd s SER 149 Cb -0.14 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2wmd s SER 149 CO 0.03 0.10 0.12 0.68 1.20 0.00 0.00 173.24 175.36 2wmd s VAL 150 N 0.59 4.89 -0.46 4.45 -7.23 0.36 0.06 120.40 123.06 2wmd s VAL 150 Ca 0.13 0.02 -0.09 0.00 -1.81 0.00 0.00 61.98 60.23 2wmd s VAL 150 Cb -0.13 -3.28 0.11 0.00 0.56 0.00 0.00 36.38 33.64 2wmd s VAL 150 CO 0.03 0.35 0.33 -0.13 -0.31 0.00 0.00 175.10 175.36 2wmd s ARG 151 N 1.25 2.50 0.37 4.82 0.52 -0.00 -2.07 118.95 126.34 2wmd s ARG 151 Ca 0.06 -1.70 -0.25 0.00 -0.52 0.00 0.00 55.73 53.32 2wmd s ARG 151 Cb -0.14 -3.89 -0.09 0.00 0.52 0.00 0.00 34.95 31.34 2wmd s ARG 151 CO 0.05 -1.14 1.07 -0.51 0.02 0.00 0.00 175.30 174.79 2wmd s LEU 152 N 1.38 4.23 0.00 2.53 1.02 -1.26 -1.21 118.68 125.36 2wmd s LEU 152 Ca 0.05 2.12 -0.11 0.00 0.02 0.00 0.00 54.13 56.21 2wmd s LEU 152 Cb -0.25 -4.05 0.20 0.00 0.02 0.00 0.00 46.19 42.10 2wmd s LEU 152 CO -0.00 -0.44 1.23 -0.81 0.02 0.00 0.00 176.35 176.35 2wmd n PRO 153 N 0.20 -0.91 -1.64 1.29 -0.04 -1.25 -4.93 135.00 127.73 2wmd n PRO 153 Ca 0.04 -2.32 -0.49 0.00 -0.04 0.00 0.00 63.50 60.68 2wmd n PRO 153 Cb 0.48 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.75 2wmd n PRO 153 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wmd s TYR 155 N 1.13 3.54 0.40 0.00 2.02 -1.26 -3.44 117.35 119.74 2wmd s TYR 155 Ca 0.83 1.68 0.11 0.00 -0.37 0.00 0.00 57.07 59.33 2wmd s TYR 155 Cb -0.82 -3.31 0.92 0.00 -0.40 0.00 0.00 41.96 38.35 2wmd s TYR 155 CO 0.44 -0.63 1.95 0.74 -1.57 0.00 0.00 175.55 176.48 2wmd h PHE 156 N 3.75 0.59 -0.03 2.71 0.04 -1.44 -0.56 116.94 122.01 2wmd h PHE 156 Ca -0.47 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.32 2wmd h PHE 156 Cb 1.21 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 2wmd h PHE 156 CO 0.59 0.27 0.08 0.93 -0.60 0.00 0.00 178.31 179.58 2wmd h GLU 157 N 0.55 0.00 0.00 1.51 3.07 -1.91 -0.48 114.58 117.32 2wmd h GLU 157 Ca 0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2wmd h GLU 157 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2wmd h GLU 157 CO -0.11 0.00 -0.03 -0.91 -1.40 0.00 0.00 179.01 176.56 2wmd h ASN 158 N 0.00 0.00 0.40 1.42 2.35 -1.47 -1.56 115.58 116.71 2wmd h ASN 158 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2wmd h ASN 158 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2wmd h ASN 158 CO -0.00 0.03 0.00 -0.07 -1.65 0.00 0.00 177.43 175.74 2wmd h LEU 159 N 0.00 0.00 -1.07 1.61 3.38 -1.25 -1.10 115.31 116.89 2wmd h LEU 159 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wmd h LEU 159 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2wmd h LEU 159 CO 0.00 0.00 -0.28 0.18 0.09 0.00 0.00 178.44 178.43 2wmd n LEU 160 N -2.32 1.94 0.00 1.67 4.77 -0.59 -2.95 117.00 119.53 2wmd n LEU 160 Ca 0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2wmd n LEU 160 Cb 0.14 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2wmd n LEU 160 CO 0.16 0.35 0.00 -1.54 -1.33 0.00 0.00 177.39 175.02 2wmd n SER 161 N 0.13 0.00 0.11 -1.43 3.41 -0.53 -4.77 113.62 110.54 2wmd n SER 161 Ca 0.12 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.77 2wmd n SER 161 Cb 0.46 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.86 2wmd n SER 161 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2wmd h HIS 162 N 0.00 0.28 -0.13 7.33 3.86 -1.63 -2.52 115.15 122.34 2wmd h HIS 162 Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2wmd h HIS 162 Cb 0.00 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2wmd h HIS 162 CO 0.00 0.28 -0.03 1.19 0.86 0.00 0.00 177.93 180.23 2wmd n PHE 163 N -4.39 0.46 -1.68 2.45 3.72 -0.55 -5.02 117.46 112.45 2wmd n PHE 163 Ca -0.00 -1.02 -0.49 0.00 -0.05 0.00 0.00 57.45 55.89 2wmd n PHE 163 Cb 0.17 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 2wmd n PHE 163 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2wmd n LEU 164 N -1.03 3.33 -4.66 4.37 7.94 -0.95 -4.65 117.00 121.35 2wmd n LEU 164 Ca 0.20 0.99 -0.45 0.00 -1.11 0.00 0.00 56.01 55.63 2wmd n LEU 164 Cb 0.77 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.33 2wmd n LEU 164 CO 0.08 -0.11 1.01 -2.65 -1.11 0.00 0.00 177.39 174.61 2wmd n PRO 165 N 6.21 1.95 -3.76 1.96 -0.02 -1.26 -4.88 135.00 135.20 2wmd n PRO 165 Ca 0.22 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 2wmd n PRO 165 Cb 0.28 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2wmd n PRO 165 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wmd s GLN 166 N -0.22 3.84 0.12 -0.52 -1.52 -0.45 -4.78 119.66 116.13 2wmd s GLN 166 Ca 0.70 -0.11 -0.31 0.00 -1.95 0.00 0.00 55.36 53.69 2wmd s GLN 166 Cb -0.68 -3.30 -0.09 0.00 -0.22 0.00 0.00 33.01 28.72 2wmd s GLN 166 CO 0.48 0.54 1.52 0.21 -0.25 0.00 0.00 175.29 177.79 2wmd s LYS 167 N -0.35 4.25 0.75 2.91 2.20 -1.26 -0.47 119.74 127.77 2wmd s LYS 167 Ca 0.13 2.24 -0.15 0.00 -0.36 0.00 0.00 55.97 57.83 2wmd s LYS 167 Cb -0.12 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2wmd s LYS 167 CO 0.02 -0.58 1.00 0.00 -0.36 0.00 0.00 175.35 175.44 2wmd n ALA 168 N 4.42 -0.28 -0.30 3.13 0.00 0.64 -4.93 120.51 123.18 2wmd n ALA 168 Ca 0.13 -0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.48 2wmd n ALA 168 Cb 0.40 -2.14 0.31 0.00 0.00 0.00 0.00 19.45 18.02 2wmd n ALA 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wmd h PRO 169 N -0.47 0.17 -0.78 0.00 0.11 -1.95 -2.57 132.00 126.52 2wmd h PRO 169 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wmd h PRO 169 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wmd h PRO 169 CO 0.46 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 2wmd n ASP 170 N -5.26 2.06 0.00 -2.05 5.68 -1.26 -4.84 116.55 110.88 2wmd n ASP 170 Ca 0.23 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 2wmd n ASP 170 Cb 0.73 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 2wmd n ASP 170 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wmd n GLY 171 N 0.27 1.01 0.15 6.12 0.00 -0.97 -4.81 105.19 106.97 2wmd n GLY 171 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2wmd n GLY 171 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wmd h LYS 172 N 0.52 0.30 0.00 1.61 5.09 -1.88 -3.46 116.57 118.75 2wmd h LYS 172 Ca 0.00 -0.29 -0.28 0.00 0.09 0.00 0.00 60.65 60.17 2wmd h LYS 172 Cb 0.00 0.08 -0.07 0.00 0.10 0.00 0.00 32.23 32.34 2wmd h LYS 172 CO 0.00 0.98 -0.21 -1.13 -2.09 0.00 0.00 179.45 177.00 2wmd n SER 173 N -3.74 -0.91 -4.37 7.07 3.41 -1.26 -4.75 113.62 109.06 2wmd n SER 173 Ca -0.04 -2.60 -0.23 0.00 -0.26 0.00 0.00 58.87 55.73 2wmd n SER 173 Cb 0.77 1.80 -0.11 0.00 -0.26 0.00 0.00 64.21 66.41 2wmd n SER 173 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2wmd s TYR 174 N -3.24 1.99 -0.18 7.33 1.51 -0.67 -0.26 117.35 123.83 2wmd s TYR 174 Ca 0.26 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2wmd s TYR 174 Cb 0.00 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2wmd s TYR 174 CO 0.19 0.42 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.70 2wmd s LEU 175 N -2.80 2.17 -0.26 -1.29 2.96 0.38 -0.87 118.68 118.97 2wmd s LEU 175 Ca 0.19 -0.69 -0.24 0.00 -0.22 0.00 0.00 54.13 53.17 2wmd s LEU 175 Cb -0.06 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 2wmd s LEU 175 CO 0.08 -0.03 0.79 -0.22 -1.32 0.00 0.00 176.35 175.66 2wmd s LEU 176 N 1.31 4.08 -0.66 -0.68 2.96 -0.08 -1.34 118.68 124.27 2wmd s LEU 176 Ca 0.04 0.92 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2wmd s LEU 176 Cb -0.14 -3.12 0.17 0.00 0.50 0.00 0.00 46.19 43.60 2wmd s LEU 176 CO -0.12 -0.51 0.48 -0.44 -1.32 0.00 0.00 176.35 174.43 2wmd s SER 177 N 1.41 5.25 -0.21 3.68 0.01 -1.26 -0.49 113.70 122.08 2wmd s SER 177 Ca 0.33 -3.02 0.01 0.00 1.31 0.00 0.00 55.95 54.58 2wmd s SER 177 Cb -0.15 -1.84 0.04 0.00 0.21 0.00 0.00 66.02 64.28 2wmd s SER 177 CO 0.08 -0.32 -0.11 -0.22 0.41 0.00 0.00 173.24 173.08 2wmd s LEU 178 N -0.31 2.46 -1.47 2.44 2.96 -1.26 -4.90 118.68 118.61 2wmd s LEU 178 Ca 0.19 -0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 53.03 2wmd s LEU 178 Cb -0.19 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.23 2wmd s LEU 178 CO -0.05 -0.14 2.45 -0.81 -1.32 0.00 0.00 176.35 176.48 2wmd n PRO 179 N 4.64 3.55 0.06 0.98 -0.04 -1.26 -4.43 135.00 138.50 2wmd n PRO 179 Ca -0.15 -2.76 0.10 0.00 -0.04 0.00 0.00 63.50 60.65 2wmd n PRO 179 Cb 0.46 -2.96 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 2wmd n PRO 179 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wmd n THR 180 N 3.74 0.49 -3.74 0.52 -2.24 -1.26 -4.30 114.28 107.50 2wmd n THR 180 Ca 0.61 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2wmd n THR 180 Cb 0.31 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2wmd n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmd n GLY 181 N 1.23 2.13 0.78 3.38 0.00 -1.26 -2.62 105.19 108.83 2wmd n GLY 181 Ca -0.03 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.66 2wmd n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wmd n ASP 182 N -0.71 2.27 -4.72 1.61 10.43 -1.26 -4.38 116.55 119.78 2wmd n ASP 182 Ca 0.00 -1.95 -0.38 0.00 2.57 0.00 0.00 54.79 55.03 2wmd n ASP 182 Cb 0.00 -0.26 -0.06 0.00 1.84 0.00 0.00 41.12 42.65 2wmd n ASP 182 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wmd s VAL 183 N -1.49 5.15 0.41 2.53 1.01 -1.08 -4.93 120.40 122.01 2wmd s VAL 183 Ca 0.30 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 2wmd s VAL 183 Cb 0.16 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2wmd s VAL 183 CO 0.21 0.32 1.11 -2.84 0.00 0.00 0.00 175.10 173.90 2wmd s PRO 184 N 0.61 4.07 -0.10 2.72 0.02 -1.26 -4.46 135.00 136.59 2wmd s PRO 184 Ca 0.28 1.67 0.01 0.00 0.02 0.00 0.00 61.00 62.98 2wmd s PRO 184 Cb -0.16 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 2wmd s PRO 184 CO 0.12 -0.26 -0.11 1.41 -0.33 0.00 0.00 177.00 177.82 2wmd s MET 185 N -2.44 3.04 0.61 5.54 1.75 -0.39 -4.67 119.30 122.73 2wmd s MET 185 Ca 0.58 -0.65 -0.18 0.00 -1.25 0.00 0.00 55.69 54.19 2wmd s MET 185 Cb -0.26 -2.57 -0.02 0.00 2.84 0.00 0.00 34.83 34.81 2wmd s MET 185 CO 0.33 0.42 1.19 -0.51 -0.65 0.00 0.00 175.02 175.79 2wmd s ASP 186 N -0.18 5.11 0.22 1.11 1.01 -1.26 -1.43 116.67 121.26 2wmd s ASP 186 Ca 0.01 2.31 -0.22 0.00 0.71 0.00 0.00 52.55 55.36 2wmd s ASP 186 Cb -0.13 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.25 2wmd s ASP 186 CO 0.03 -1.64 0.67 -0.83 0.21 0.00 0.00 175.17 173.61 2wmd s GLY 187 N -1.79 -0.33 0.13 0.21 0.00 -0.83 -4.05 107.32 100.65 2wmd s GLY 187 Ca 0.75 0.06 -0.25 0.00 0.00 0.00 0.00 44.72 45.28 2wmd s GLY 187 CO 0.35 0.02 0.78 -3.16 0.00 0.00 0.00 173.10 171.09 2wmd s MET 188 N -3.84 1.22 -0.08 2.90 0.23 -1.22 -0.41 119.30 118.09 2wmd s MET 188 Ca 0.07 -0.55 -0.26 0.00 -1.03 0.00 0.00 55.69 53.91 2wmd s MET 188 Cb -0.04 0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 33.73 2wmd s MET 188 CO -0.02 -0.54 0.84 0.45 -2.03 0.00 0.00 175.02 173.71 2wmd s SER 189 N -2.74 7.10 0.50 -1.18 0.15 -1.26 -1.05 113.70 115.22 2wmd s SER 189 Ca 0.06 1.33 0.15 0.00 0.70 0.00 0.00 55.95 58.20 2wmd s SER 189 Cb -0.02 -2.48 1.21 0.00 -1.71 0.00 0.00 66.02 63.03 2wmd s SER 189 CO -0.05 -0.27 2.12 1.62 1.20 0.00 0.00 173.24 177.87 2wmd h VAL 190 N 4.93 1.02 0.00 4.45 3.04 -1.95 -1.56 116.25 126.18 2wmd h VAL 190 Ca -0.37 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2wmd h VAL 190 Cb 1.18 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2wmd h VAL 190 CO 0.79 0.03 0.00 -1.20 -1.01 0.00 0.00 177.57 176.18 2wmd n SER 191 N -4.51 0.28 -1.15 3.17 7.64 -1.26 -1.59 113.62 116.20 2wmd n SER 191 Ca -0.03 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.57 2wmd n SER 191 Cb 0.11 -0.65 0.26 0.00 -1.01 0.00 0.00 64.21 62.92 2wmd n SER 191 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wmd n ASP 192 N -1.85 3.39 -0.13 6.43 8.00 -0.59 -4.34 116.55 127.47 2wmd n ASP 192 Ca 0.01 -1.97 -0.12 0.00 0.71 0.00 0.00 54.79 53.42 2wmd n ASP 192 Cb 0.08 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 2wmd n ASP 192 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2wmd h LEU 193 N 4.11 0.79 -0.49 0.64 5.85 -1.41 -3.33 115.31 121.47 2wmd h LEU 193 Ca 0.00 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.43 2wmd h LEU 193 Cb 0.92 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 2wmd h LEU 193 CO 0.00 0.99 -0.22 1.23 -0.34 0.00 0.00 178.44 180.10 2wmd h GLY 194 N 0.57 0.11 1.81 3.75 0.00 -1.76 -1.36 103.07 106.20 2wmd h GLY 194 Ca 0.09 0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.58 2wmd h GLY 194 CO 0.05 -0.21 -0.54 -2.55 0.00 0.00 0.00 176.54 173.28 2wmd h PRO 195 N -0.12 0.20 -0.46 4.80 0.11 -1.86 0.15 132.00 134.83 2wmd h PRO 195 Ca 0.23 -0.12 0.09 0.00 0.11 0.00 0.00 66.00 66.30 2wmd h PRO 195 Cb 0.47 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.52 2wmd h PRO 195 CO -0.56 0.69 -0.02 0.28 -0.21 0.00 0.00 178.00 178.18 2wmd h VAL 196 N 0.16 0.62 -0.14 3.15 2.07 -1.43 -0.96 116.25 119.73 2wmd h VAL 196 Ca 0.00 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2wmd h VAL 196 Cb 1.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2wmd h VAL 196 CO 0.08 0.02 -0.27 0.58 0.02 0.00 0.00 177.57 178.00 2wmd h VAL 197 N 0.09 1.37 -0.94 2.57 2.07 -0.70 -2.85 116.25 117.85 2wmd h VAL 197 Ca 0.23 -1.53 0.12 0.00 0.82 0.00 0.00 66.70 66.34 2wmd h VAL 197 Cb 0.34 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 2wmd h VAL 197 CO -0.40 0.45 0.60 0.25 0.02 0.00 0.00 177.57 178.49 2wmd h LEU 198 N 0.03 0.81 -0.59 2.57 5.85 -0.51 -0.32 115.31 123.16 2wmd h LEU 198 Ca 0.01 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2wmd h LEU 198 Cb 0.86 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2wmd h LEU 198 CO 0.06 0.44 0.26 0.28 -0.34 0.00 0.00 178.44 179.13 2wmd h SER 199 N 0.87 0.79 0.28 1.25 0.02 -0.95 -2.09 113.55 113.73 2wmd h SER 199 Ca 0.46 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2wmd h SER 199 Cb 0.54 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2wmd h SER 199 CO -0.22 0.72 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.93 2wmd h LEU 200 N 0.81 -0.49 -2.23 5.07 3.38 -0.96 -2.49 115.31 118.39 2wmd h LEU 200 Ca 0.20 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wmd h LEU 200 Cb 0.16 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wmd h LEU 200 CO -0.02 -0.30 0.26 -0.07 0.09 0.00 0.00 178.44 178.39 2wmd h LEU 201 N -0.47 0.00 -0.46 1.67 3.38 -1.24 -2.25 115.31 115.94 2wmd h LEU 201 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wmd h LEU 201 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wmd h LEU 201 CO 0.01 0.00 -0.29 0.29 0.09 0.00 0.00 178.44 178.54 2wmd n LYS 202 N -3.13 0.77 -2.78 1.13 5.02 -0.79 -4.48 118.16 113.89 2wmd n LYS 202 Ca -0.01 -0.46 -0.09 0.00 -2.02 0.00 0.00 58.31 55.73 2wmd n LYS 202 Cb 0.33 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 2wmd n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wmd n MET 203 N -0.72 0.84 0.03 1.97 0.00 -0.89 -5.05 117.12 113.30 2wmd n MET 203 Ca 0.11 -1.90 -0.12 0.00 0.00 0.00 0.00 57.70 55.80 2wmd n MET 203 Cb 0.35 -1.35 -0.07 0.00 0.00 0.00 0.00 33.22 32.15 2wmd n MET 203 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2wmd h PRO 204 N 3.73 0.04 -0.22 3.17 0.11 -1.67 -2.36 132.00 134.79 2wmd h PRO 204 Ca -0.12 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.05 2wmd h PRO 204 Cb 1.04 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2wmd h PRO 204 CO 0.29 0.05 0.40 1.05 -0.21 0.00 0.00 178.00 179.58 2wmd h GLU 205 N 0.02 0.00 -0.28 1.05 9.09 -1.96 -2.77 114.58 119.72 2wmd h GLU 205 Ca 0.01 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.30 2wmd h GLU 205 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 2wmd h GLU 205 CO -0.00 0.00 -0.35 -0.22 0.05 0.00 0.00 179.01 178.49 2wmd h LYS 206 N 0.00 0.61 0.00 1.06 1.63 -1.79 -3.36 116.57 114.72 2wmd h LYS 206 Ca 0.10 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2wmd h LYS 206 Cb 0.91 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2wmd h LYS 206 CO -0.00 0.87 0.00 0.66 -3.45 0.00 0.00 179.45 177.53 2wmd n TYR 207 N -4.06 0.00 -1.58 1.91 4.01 -1.09 -5.04 117.16 111.31 2wmd n TYR 207 Ca -0.01 -0.12 -0.44 0.00 -0.16 0.00 0.00 57.90 57.17 2wmd n TYR 207 Cb 0.49 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 2wmd n TYR 207 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wmd n VAL 208 N -0.12 2.06 -0.85 -0.72 0.31 -1.07 -1.51 118.33 116.44 2wmd n VAL 208 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2wmd n VAL 208 Cb 0.18 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 2wmd n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wmd n GLY 209 N 1.27 0.77 3.91 2.92 0.00 0.69 -4.95 105.19 109.81 2wmd n GLY 209 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2wmd n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wmd s GLN 210 N -0.25 3.60 -0.19 1.61 -0.21 -0.57 -4.98 119.66 118.68 2wmd s GLN 210 Ca 0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.30 2wmd s GLN 210 Cb 0.00 -2.66 -0.00 0.00 1.00 0.00 0.00 33.01 31.34 2wmd s GLN 210 CO 0.00 0.22 -0.10 -0.80 -2.12 0.00 0.00 175.29 172.49 2wmd s ASN 211 N -3.26 3.97 -0.32 5.90 0.01 -1.26 -1.61 114.94 118.37 2wmd s ASN 211 Ca 0.43 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 52.11 2wmd s ASN 211 Cb -0.11 -1.65 0.05 0.00 0.41 0.00 0.00 41.25 39.95 2wmd s ASN 211 CO 0.31 0.04 0.06 -0.63 -1.51 0.00 0.00 177.10 175.36 2wmd s ILE 212 N 1.12 3.40 -0.45 0.60 1.01 0.11 -4.96 121.20 122.03 2wmd s ILE 212 Ca 0.01 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 2wmd s ILE 212 Cb -0.14 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.40 2wmd s ILE 212 CO -0.03 -0.16 1.32 -0.83 0.00 0.00 0.00 174.94 175.25 2wmd s GLY 213 N 1.35 1.13 0.18 6.18 0.00 -1.26 -0.82 107.32 114.08 2wmd s GLY 213 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.22 2wmd s GLY 213 CO 0.01 2.66 0.59 1.08 0.00 0.00 0.00 173.10 177.44 2wmd s LEU 214 N 5.19 4.29 -0.24 0.66 1.43 -0.35 -0.88 118.68 128.79 2wmd s LEU 214 Ca 0.56 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.49 2wmd s LEU 214 Cb -0.11 -3.44 0.17 0.00 0.03 0.00 0.00 46.19 42.84 2wmd s LEU 214 CO 0.32 0.04 1.23 -0.55 0.23 0.00 0.00 176.35 177.62 2wmd s SER 215 N -1.84 -0.16 0.00 2.29 0.15 -1.26 -3.81 113.70 109.06 2wmd s SER 215 Ca 0.41 0.18 0.02 0.00 0.70 0.00 0.00 55.95 57.27 2wmd s SER 215 Cb -0.14 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2wmd s SER 215 CO 0.20 -0.14 0.48 0.35 1.20 0.00 0.00 173.24 175.32 2wmd n THR 216 N 0.66 0.00 -3.63 6.45 -2.24 0.45 -4.09 114.28 111.88 2wmd n THR 216 Ca -0.04 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.23 2wmd n THR 216 Cb 0.58 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 2wmd n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wmd s ARG 218 N -2.12 1.06 -0.09 0.00 1.70 -1.26 -1.97 118.95 116.26 2wmd s ARG 218 Ca 0.12 -0.43 -0.12 0.00 -0.47 0.00 0.00 55.73 54.83 2wmd s ARG 218 Cb -0.00 -1.00 0.03 0.00 -0.57 0.00 0.00 34.95 33.40 2wmd s ARG 218 CO -0.03 0.24 0.30 -1.01 -1.08 0.00 0.00 175.30 173.72 2wmd s HIS 219 N -0.19 -0.29 0.84 5.89 3.76 -0.52 -4.73 115.29 120.05 2wmd s HIS 219 Ca 0.03 0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 55.49 2wmd s HIS 219 Cb -0.06 0.10 0.10 0.00 1.11 0.00 0.00 32.58 33.83 2wmd s HIS 219 CO -0.00 -0.22 1.11 0.95 -0.85 0.00 0.00 174.74 175.72 2wmd s THR 220 N -0.25 2.83 0.27 1.30 -4.23 -1.26 -1.27 115.64 113.03 2wmd s THR 220 Ca -0.04 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 2wmd s THR 220 Cb -0.03 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.48 2wmd s THR 220 CO 0.01 -0.35 1.71 0.00 -0.54 0.00 0.00 174.62 175.45 2wmd h ALA 221 N -1.45 1.29 -0.57 3.99 0.00 -1.84 -0.87 119.26 119.82 2wmd h ALA 221 Ca -0.44 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2wmd h ALA 221 Cb 1.25 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2wmd h ALA 221 CO 0.48 -0.29 0.37 1.49 0.00 0.00 0.00 179.25 181.31 2wmd h GLU 222 N 0.42 0.67 -0.09 0.00 4.81 -1.91 0.54 114.58 119.01 2wmd h GLU 222 Ca 0.51 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.49 2wmd h GLU 222 Cb 0.89 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2wmd h GLU 222 CO -0.49 0.44 -0.80 0.93 -0.73 0.00 0.00 179.01 178.37 2wmd h GLU 223 N 0.69 0.58 0.12 1.92 5.08 -1.56 -0.34 114.58 121.07 2wmd h GLU 223 Ca 0.22 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2wmd h GLU 223 Cb 0.04 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2wmd h GLU 223 CO -0.06 1.12 -0.06 1.88 -1.00 0.00 0.00 179.01 180.90 2wmd h TYR 224 N 0.38 -0.15 -0.84 4.33 -1.99 -0.07 0.14 116.97 118.78 2wmd h TYR 224 Ca -0.05 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.77 2wmd h TYR 224 Cb 1.40 0.05 -0.06 0.00 2.00 0.00 0.00 36.73 40.13 2wmd h TYR 224 CO 0.07 -0.06 0.54 0.00 -0.00 0.00 0.00 178.16 178.71 2wmd h ALA 225 N 0.66 1.70 -0.11 3.88 0.00 0.05 -0.28 119.26 125.16 2wmd h ALA 225 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wmd h ALA 225 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wmd h ALA 225 CO 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.37 2wmd h ALA 226 N 1.58 0.15 -0.08 0.00 0.00 -0.31 -2.07 119.26 118.52 2wmd h ALA 226 Ca 0.38 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2wmd h ALA 226 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wmd h ALA 226 CO -0.15 -0.09 -0.50 -0.07 0.00 0.00 0.00 179.25 178.44 2wmd h LEU 227 N -0.13 0.23 -0.75 0.00 3.38 -0.59 -1.70 115.31 115.75 2wmd h LEU 227 Ca 0.02 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2wmd h LEU 227 Cb 0.48 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2wmd h LEU 227 CO 0.01 0.69 0.07 -0.07 0.09 0.00 0.00 178.44 179.24 2wmd h LEU 228 N 0.17 0.99 -0.62 1.67 3.38 -1.08 -2.67 115.31 117.15 2wmd h LEU 228 Ca 0.01 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2wmd h LEU 228 Cb 0.94 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2wmd h LEU 228 CO 0.08 1.00 0.01 0.74 0.09 0.00 0.00 178.44 180.35 2wmd h THR 229 N 0.96 1.27 -0.38 0.22 2.02 -1.04 -1.91 112.91 114.04 2wmd h THR 229 Ca 0.19 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2wmd h THR 229 Cb 0.45 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2wmd h THR 229 CO 0.02 0.42 0.09 0.50 0.37 0.00 0.00 175.52 176.92 2wmd h LYS 230 N 0.98 0.61 0.19 6.66 3.64 -1.23 -2.02 116.57 125.41 2wmd h LYS 230 Ca 0.18 -0.15 -0.35 0.00 -1.27 0.00 0.00 60.65 59.05 2wmd h LYS 230 Cb 0.55 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2wmd h LYS 230 CO 0.03 0.65 -1.75 0.45 -2.27 0.00 0.00 179.45 176.56 2wmd h HIS 231 N 0.47 0.73 0.00 1.91 3.86 -1.46 -3.34 115.15 117.32 2wmd h HIS 231 Ca 0.12 -0.53 -0.11 0.00 -1.16 0.00 0.00 60.37 58.69 2wmd h HIS 231 Cb 0.31 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2wmd h HIS 231 CO 0.02 1.68 -0.51 1.79 0.86 0.00 0.00 177.93 181.77 2wmd h THR 232 N 0.11 1.01 -4.63 2.45 1.35 -1.46 -3.47 112.91 108.26 2wmd h THR 232 Ca -0.34 -2.03 -0.39 0.00 -0.55 0.00 0.00 66.41 63.10 2wmd h THR 232 Cb 2.10 2.22 0.08 0.00 -1.73 0.00 0.00 68.15 70.83 2wmd h THR 232 CO 0.18 0.50 -0.60 0.54 -0.25 0.00 0.00 175.52 175.89 2wmd n ARG 233 N -3.42 -5.46 -4.54 4.72 5.12 -0.76 -5.04 116.66 107.28 2wmd n ARG 233 Ca 0.01 0.86 -0.24 0.00 -1.93 0.00 0.00 57.85 56.54 2wmd n ARG 233 Cb 0.65 -5.68 -0.14 0.00 -1.16 0.00 0.00 32.46 26.12 2wmd n ARG 233 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wmd s LYS 234 N -5.81 1.26 -0.06 5.56 3.01 -1.25 -5.09 119.74 117.37 2wmd s LYS 234 Ca 0.36 -0.92 -0.30 0.00 -1.01 0.00 0.00 55.97 54.10 2wmd s LYS 234 Cb -0.16 -1.36 -0.03 0.00 -1.01 0.00 0.00 37.83 35.26 2wmd s LYS 234 CO 0.45 0.34 1.23 0.08 0.51 0.00 0.00 175.35 177.96 2wmd s VAL 235 N -0.85 4.20 -0.17 3.17 1.01 -1.26 -4.25 120.40 122.25 2wmd s VAL 235 Ca 0.06 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 2wmd s VAL 235 Cb -0.09 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2wmd s VAL 235 CO 0.02 -0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.28 2wmd s VAL 236 N 2.35 2.68 0.06 2.92 1.01 -1.26 -1.68 120.40 126.48 2wmd s VAL 236 Ca 0.57 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2wmd s VAL 236 Cb -0.25 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2wmd s VAL 236 CO 0.22 0.50 0.31 -1.00 0.00 0.00 0.00 175.10 175.13 2wmd s HIS 237 N 1.06 3.55 -0.13 5.22 3.76 -0.05 -4.58 115.29 124.12 2wmd s HIS 237 Ca -0.00 0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 55.18 2wmd s HIS 237 Cb -0.15 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 2wmd s HIS 237 CO -0.04 0.55 1.21 0.34 -0.85 0.00 0.00 174.74 175.95 2wmd s ASP 238 N -1.99 7.01 0.43 1.40 2.15 -1.26 -0.90 116.67 123.51 2wmd s ASP 238 Ca 0.33 1.71 0.30 0.00 0.43 0.00 0.00 52.55 55.31 2wmd s ASP 238 Cb -0.13 -2.55 1.47 0.00 -0.30 0.00 0.00 42.92 41.41 2wmd s ASP 238 CO 0.20 -0.67 1.90 0.00 -0.17 0.00 0.00 175.17 176.42 2wmd h ALA 239 N 7.81 1.00 -5.28 3.66 0.00 -1.15 -3.47 119.26 121.83 2wmd h ALA 239 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.21 2wmd h ALA 239 Cb 1.12 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.00 2wmd h ALA 239 CO 0.93 0.00 -0.65 1.63 0.00 0.00 0.00 179.25 181.16 2wmd n LYS 240 N -2.58 -6.42 -2.57 0.00 5.02 -1.26 -4.95 118.16 105.40 2wmd n LYS 240 Ca -0.01 0.84 -0.37 0.00 -2.02 0.00 0.00 58.31 56.76 2wmd n LYS 240 Cb 0.13 -5.80 -0.04 0.00 -0.02 0.00 0.00 35.03 29.29 2wmd n LYS 240 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2wmd s MET 241 N -6.07 4.27 0.28 1.97 1.75 -1.26 -4.98 119.30 115.26 2wmd s MET 241 Ca 0.47 1.52 0.08 0.00 -1.25 0.00 0.00 55.69 56.51 2wmd s MET 241 Cb -0.21 -2.65 -0.04 0.00 2.84 0.00 0.00 34.83 34.78 2wmd s MET 241 CO 0.58 -0.05 0.16 0.95 -0.65 0.00 0.00 175.02 176.01 2wmd s THR 242 N -1.60 3.88 0.44 10.11 -4.23 -1.26 -4.06 115.64 118.93 2wmd s THR 242 Ca 0.55 -1.55 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 2wmd s THR 242 Cb -0.23 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 70.71 2wmd s THR 242 CO 0.29 -0.31 2.08 -0.65 -0.54 0.00 0.00 174.62 175.49 2wmd h PRO 243 N 1.55 0.37 -0.36 3.99 0.11 -1.90 -2.36 132.00 133.40 2wmd h PRO 243 Ca -0.46 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2wmd h PRO 243 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wmd h PRO 243 CO 0.60 0.25 0.22 1.49 -0.21 0.00 0.00 178.00 180.35 2wmd h GLU 244 N 0.38 0.44 -0.70 1.05 4.81 -1.95 -1.14 114.58 117.47 2wmd h GLU 244 Ca 0.12 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.47 2wmd h GLU 244 Cb 0.02 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.20 2wmd h GLU 244 CO -0.03 0.29 0.16 -0.44 -0.73 0.00 0.00 179.01 178.27 2wmd h ASP 245 N 0.45 0.01 -0.12 1.04 3.32 -1.84 -1.32 116.42 117.96 2wmd h ASP 245 Ca 0.14 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2wmd h ASP 245 Cb -0.02 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wmd h ASP 245 CO -0.05 -0.02 -0.03 0.22 -1.72 0.00 0.00 179.24 177.63 2wmd h TYR 246 N 0.27 0.26 0.09 4.55 5.03 -0.97 -3.17 116.97 123.03 2wmd h TYR 246 Ca 0.39 -0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.66 2wmd h TYR 246 Cb 0.63 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.82 2wmd h TYR 246 CO -0.26 0.54 -0.22 1.49 -1.32 0.00 0.00 178.16 178.39 2wmd h GLU 247 N -0.10 -0.38 -0.48 1.82 4.81 -1.01 -3.15 114.58 116.08 2wmd h GLU 247 Ca 0.03 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 2wmd h GLU 247 Cb 0.46 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2wmd h GLU 247 CO 0.01 -0.25 0.56 0.87 -0.73 0.00 0.00 179.01 179.47 2wmd h LYS 248 N -0.40 0.00 0.00 1.92 1.79 -1.22 0.25 116.57 118.92 2wmd h LYS 248 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2wmd h LYS 248 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2wmd h LYS 248 CO -0.14 0.00 0.00 -0.07 -1.08 0.00 0.00 179.45 178.16 2wmd h LEU 249 N 0.00 0.00 1.06 2.94 4.07 -1.55 -3.48 115.31 118.35 2wmd h LEU 249 Ca 0.23 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.81 2wmd h LEU 249 Cb 1.35 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.95 2wmd h LEU 249 CO -0.00 0.00 -0.36 0.61 -1.08 0.00 0.00 178.44 177.61 2wmd n GLY 250 N 0.03 1.61 3.83 0.83 0.00 0.88 -4.96 105.19 107.41 2wmd n GLY 250 Ca 0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2wmd n GLY 250 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wmd s PHE 251 N -2.72 3.06 -0.06 1.61 -0.12 -1.26 -4.90 117.98 113.59 2wmd s PHE 251 Ca 0.00 1.22 -0.29 0.00 -0.05 0.00 0.00 56.93 57.81 2wmd s PHE 251 Cb 0.00 -3.01 -0.06 0.00 -0.63 0.00 0.00 43.02 39.32 2wmd s PHE 251 CO 0.00 -1.43 1.85 -2.14 -0.05 0.00 0.00 175.22 173.45 2wmd s PRO 252 N -5.16 3.97 0.00 1.99 0.02 -1.26 -1.10 135.00 133.46 2wmd s PRO 252 Ca 0.59 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.88 2wmd s PRO 252 Cb -0.13 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.27 2wmd s PRO 252 CO 0.54 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2wmd n GLY 253 N 4.59 0.17 0.24 0.52 0.00 -1.26 -4.96 105.19 104.49 2wmd n GLY 253 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2wmd n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmd h ALA 254 N 0.00 0.80 -0.20 4.61 0.00 -1.46 0.45 119.26 123.46 2wmd h ALA 254 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2wmd h ALA 254 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wmd h ALA 254 CO 0.00 -0.13 -0.36 -0.09 0.00 0.00 0.00 179.25 178.67 2wmd h ARG 255 N 0.48 0.59 -0.71 0.00 2.43 -1.82 0.64 114.38 115.99 2wmd h ARG 255 Ca 0.30 -0.37 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2wmd h ARG 255 Cb 0.32 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2wmd h ARG 255 CO -0.26 0.99 0.45 -0.44 -1.51 0.00 0.00 179.97 179.20 2wmd h ASP 256 N 0.27 0.75 -0.02 -3.80 3.32 -1.74 -0.31 116.42 114.89 2wmd h ASP 256 Ca 0.01 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2wmd h ASP 256 Cb 0.96 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2wmd h ASP 256 CO 0.08 0.53 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.59 2wmd h LEU 257 N 0.89 0.61 -0.43 1.55 3.38 -0.73 -1.05 115.31 119.54 2wmd h LEU 257 Ca 0.28 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wmd h LEU 257 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wmd h LEU 257 CO -0.10 0.99 0.18 0.00 0.09 0.00 0.00 178.44 179.60 2wmd h ALA 258 N 1.04 0.56 -0.52 1.53 0.00 -0.53 -1.79 119.26 119.55 2wmd h ALA 258 Ca 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wmd h ALA 258 Cb 0.99 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2wmd h ALA 258 CO 0.09 0.15 0.20 -0.91 0.00 0.00 0.00 179.25 178.78 2wmd h ASN 259 N 0.55 0.68 -0.23 0.00 2.35 -0.85 -0.32 115.58 117.76 2wmd h ASN 259 Ca 0.15 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2wmd h ASN 259 Cb 0.17 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2wmd h ASN 259 CO -0.01 0.62 0.04 -0.03 -1.65 0.00 0.00 177.43 176.39 2wmd h MET 260 N 0.74 0.13 -0.66 0.81 1.85 -0.75 -0.76 114.93 116.28 2wmd h MET 260 Ca 0.18 -0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.21 2wmd h MET 260 Cb 0.15 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 2wmd h MET 260 CO -0.02 0.08 0.22 0.74 -0.40 0.00 0.00 176.91 177.53 2wmd h PHE 261 N 0.13 1.03 -0.58 1.39 0.04 -0.55 0.34 116.94 118.73 2wmd h PHE 261 Ca 0.11 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2wmd h PHE 261 Cb 0.11 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2wmd h PHE 261 CO -0.16 0.81 0.28 0.00 -0.60 0.00 0.00 178.31 178.64 2wmd h ARG 262 N 0.97 0.82 -0.24 1.51 3.08 -0.93 -1.75 114.38 117.85 2wmd h ARG 262 Ca 0.22 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 2wmd h ARG 262 Cb 0.26 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wmd h ARG 262 CO -0.01 0.64 -0.57 0.35 -1.07 0.00 0.00 179.97 179.31 2wmd h PHE 263 N 0.82 1.03 -0.90 3.04 3.57 -0.25 -2.97 116.94 121.29 2wmd h PHE 263 Ca 0.20 -0.39 0.10 0.00 3.53 0.00 0.00 57.97 61.41 2wmd h PHE 263 Cb 0.09 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 2wmd h PHE 263 CO 0.01 1.21 0.58 1.88 -2.23 0.00 0.00 178.31 179.76 2wmd h TYR 264 N 0.56 0.96 0.00 0.41 0.05 0.23 -0.40 116.97 118.78 2wmd h TYR 264 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2wmd h TYR 264 Cb 1.18 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.61 2wmd h TYR 264 CO 0.08 0.44 0.00 0.00 -1.05 0.00 0.00 178.16 177.63 2wmd h ALA 265 N 1.55 1.00 -0.13 3.88 0.00 -1.17 0.06 119.26 124.46 2wmd h ALA 265 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2wmd h ALA 265 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wmd h ALA 265 CO -0.18 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.35 2wmd n LEU 266 N -2.31 1.55 -2.81 0.00 4.77 -0.16 -5.00 117.00 113.04 2wmd n LEU 266 Ca 0.00 -0.63 -0.05 0.00 -0.03 0.00 0.00 56.01 55.30 2wmd n LEU 266 Cb 0.13 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2wmd n LEU 266 CO 0.15 0.31 0.18 0.54 -1.33 0.00 0.00 177.39 177.24 2wmd n ARG 267 N 0.24 -1.35 -1.13 3.23 1.74 0.01 -5.00 116.66 114.40 2wmd n ARG 267 Ca 0.17 1.05 -0.34 0.00 -0.77 0.00 0.00 57.85 57.96 2wmd n ARG 267 Cb 0.32 -4.93 0.11 0.00 -1.02 0.00 0.00 32.46 26.94 2wmd n ARG 267 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wmd n PRO 268 N -2.13 0.19 -2.31 5.56 -0.04 -1.26 -4.87 135.00 130.14 2wmd n PRO 268 Ca -0.02 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 2wmd n PRO 268 Cb 0.54 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 2wmd n PRO 268 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wmd s ASP 269 N -1.93 6.67 -0.03 3.54 -1.08 -1.26 -4.99 116.67 117.59 2wmd s ASP 269 Ca 0.70 1.53 0.02 0.00 -0.52 0.00 0.00 52.55 54.28 2wmd s ASP 269 Cb -0.30 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.63 2wmd s ASP 269 CO 0.54 -1.02 -0.07 -0.13 0.52 0.00 0.00 175.17 175.00 2wmd s ARG 270 N 4.10 0.89 -0.50 4.34 1.81 -1.26 -4.31 118.95 124.02 2wmd s ARG 270 Ca 0.61 -0.24 -0.00 0.00 -1.72 0.00 0.00 55.73 54.38 2wmd s ARG 270 Cb -0.22 -0.84 0.13 0.00 -0.45 0.00 0.00 34.95 33.57 2wmd s ARG 270 CO 0.23 0.06 0.28 0.34 -0.68 0.00 0.00 175.30 175.52 2wmd s ASP 271 N 0.38 4.99 0.15 0.23 -1.08 -0.06 -4.95 116.67 116.33 2wmd s ASP 271 Ca -0.06 -2.54 -0.16 0.00 -0.52 0.00 0.00 52.55 49.28 2wmd s ASP 271 Cb -0.10 -1.77 0.01 0.00 -1.46 0.00 0.00 42.92 39.60 2wmd s ASP 271 CO 0.00 -0.40 1.81 0.40 0.52 0.00 0.00 175.17 177.51 2wmd h ILE 272 N 5.84 1.09 -0.32 4.11 2.04 -1.84 -0.19 117.51 128.24 2wmd h ILE 272 Ca -0.07 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 2wmd h ILE 272 Cb 0.98 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2wmd h ILE 272 CO 0.68 0.09 -0.12 -0.33 0.00 0.00 0.00 178.15 178.47 2wmd h GLU 273 N 0.51 0.64 -0.66 2.37 5.08 -1.93 -1.45 114.58 119.15 2wmd h GLU 273 Ca 0.14 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2wmd h GLU 273 Cb -0.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2wmd h GLU 273 CO -0.04 0.84 0.29 1.25 -1.00 0.00 0.00 179.01 180.35 2wmd h LEU 274 N 0.41 0.89 -0.55 1.33 5.85 -1.93 0.30 115.31 121.60 2wmd h LEU 274 Ca 0.07 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2wmd h LEU 274 Cb 0.63 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 2wmd h LEU 274 CO 0.04 0.79 0.13 0.74 -0.34 0.00 0.00 178.44 179.80 2wmd h THR 275 N 0.92 0.70 0.00 1.05 2.02 -0.65 -1.87 112.91 115.07 2wmd h THR 275 Ca 0.22 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 67.14 2wmd h THR 275 Cb 0.17 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2wmd h THR 275 CO -0.02 0.05 -0.83 -0.07 0.37 0.00 0.00 175.52 175.02 2wmd h LEU 276 N 0.27 0.00 -0.72 2.58 3.38 -0.58 -0.45 115.31 119.79 2wmd h LEU 276 Ca 0.28 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.34 2wmd h LEU 276 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2wmd h LEU 276 CO -0.35 0.83 0.38 -0.09 0.09 0.00 0.00 178.44 179.29 2wmd h ARG 277 N 0.00 0.64 0.01 1.13 2.43 -0.03 -1.71 114.38 116.83 2wmd h ARG 277 Ca -0.01 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2wmd h ARG 277 Cb 1.51 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.89 2wmd h ARG 277 CO 0.11 0.42 -1.05 -0.07 -1.51 0.00 0.00 179.97 177.87 2wmd h LEU 278 N 0.66 0.02 -6.48 3.80 3.38 -0.88 -3.39 115.31 112.41 2wmd h LEU 278 Ca 0.35 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.79 2wmd h LEU 278 Cb 0.33 -0.01 -0.36 0.00 0.09 0.00 0.00 40.66 40.72 2wmd h LEU 278 CO -0.25 1.02 -0.79 0.21 0.09 0.00 0.00 178.44 178.72 2wmd s ASN 279 N -6.70 2.23 0.00 -0.43 2.47 -0.22 -3.88 114.94 108.41 2wmd s ASN 279 Ca 0.00 -1.99 0.10 0.00 0.42 0.00 0.00 52.86 51.40 2wmd s ASN 279 Cb 0.10 -0.03 0.47 0.00 -1.45 0.00 0.00 41.25 40.34 2wmd s ASN 279 CO 0.82 -0.28 1.31 -2.65 -3.72 0.00 0.00 177.10 172.58 2wmd n PRO 280 N 4.07 0.04 0.00 0.43 -0.02 -0.65 -1.32 135.00 137.55 2wmd n PRO 280 Ca 0.12 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2wmd n PRO 280 Cb 0.40 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.74 2wmd n PRO 280 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wmd n LYS 281 N -1.45 1.19 -1.91 -0.52 5.02 -1.26 -4.92 118.16 114.31 2wmd n LYS 281 Ca 0.03 -0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 55.14 2wmd n LYS 281 Cb 0.11 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2wmd n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wmd s ALA 282 N -2.34 3.75 0.43 7.82 0.00 -0.43 -4.92 121.76 126.07 2wmd s ALA 282 Ca 0.27 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.37 2wmd s ALA 282 Cb 0.20 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2wmd s ALA 282 CO 0.46 -0.93 0.92 -0.51 0.00 0.00 0.00 175.76 175.70 2wmd s LEU 283 N 1.81 3.87 0.82 0.00 1.43 -1.26 -5.04 118.68 120.31 2wmd s LEU 283 Ca 0.72 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.28 2wmd s LEU 283 Cb -0.42 -4.43 0.11 0.00 0.03 0.00 0.00 46.19 41.48 2wmd s LEU 283 CO 0.32 -0.40 1.16 0.42 0.23 0.00 0.00 176.35 178.08 2wmd s THR 284 N -2.28 2.08 0.18 5.49 -4.23 -1.26 -4.50 115.64 111.12 2wmd s THR 284 Ca 0.59 -0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.86 2wmd s THR 284 Cb -0.09 -2.97 0.09 0.00 1.34 0.00 0.00 72.50 70.86 2wmd s THR 284 CO 0.20 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.37 2wmd h LEU 285 N -1.06 0.67 -0.13 4.79 5.85 -1.92 0.22 115.31 123.72 2wmd h LEU 285 Ca -0.44 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2wmd h LEU 285 Cb 1.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2wmd h LEU 285 CO 0.55 0.48 0.07 -0.78 -0.34 0.00 0.00 178.44 178.42 2wmd h ASP 286 N 0.79 0.17 -0.69 1.25 3.58 -1.96 -1.14 116.42 118.41 2wmd h ASP 286 Ca 0.21 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.60 2wmd h ASP 286 Cb -0.09 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 2wmd h ASP 286 CO -0.05 0.22 0.42 1.56 -2.88 0.00 0.00 179.24 178.51 2wmd h GLN 287 N 0.10 0.79 -0.13 0.28 4.20 -1.87 -1.90 115.11 116.59 2wmd h GLN 287 Ca 0.05 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2wmd h GLN 287 Cb 0.09 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2wmd h GLN 287 CO -0.01 0.53 -0.05 2.35 -0.67 0.00 0.00 178.83 180.98 2wmd h TRP 288 N 0.82 0.30 -0.61 2.96 7.01 -0.27 -2.48 115.95 123.68 2wmd h TRP 288 Ca 0.28 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.23 2wmd h TRP 288 Cb 0.05 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 2wmd h TRP 288 CO -0.05 0.59 0.41 -0.07 -2.79 0.00 0.00 178.44 176.53 2wmd h LEU 289 N -0.07 0.67 -0.55 0.65 3.38 -1.17 0.17 115.31 118.39 2wmd h LEU 289 Ca 0.03 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wmd h LEU 289 Cb 0.50 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2wmd h LEU 289 CO 0.02 0.47 0.34 -0.08 0.09 0.00 0.00 178.44 179.28 2wmd h GLU 290 N 0.78 0.65 -0.11 1.13 4.81 -1.00 0.03 114.58 120.87 2wmd h GLU 290 Ca 0.23 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 2wmd h GLU 290 Cb -0.02 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2wmd h GLU 290 CO -0.06 0.43 -0.72 1.96 -0.73 0.00 0.00 179.01 179.89 2wmd h GLN 291 N 0.67 0.51 -0.31 1.92 4.20 -0.99 -3.35 115.11 117.75 2wmd h GLN 291 Ca 0.22 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2wmd h GLN 291 Cb 0.01 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2wmd h GLN 291 CO -0.09 1.03 0.01 0.72 -0.67 0.00 0.00 178.83 179.83 2wmd n HIS 292 N -3.87 1.08 -0.27 2.96 8.25 0.55 -4.58 115.22 119.34 2wmd n HIS 292 Ca -0.05 -0.99 -0.04 0.00 -0.26 0.00 0.00 57.72 56.38 2wmd n HIS 292 Cb 0.70 -0.37 0.12 0.00 1.12 0.00 0.00 29.99 31.57 2wmd n HIS 292 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2wmd h LYS 293 N 1.78 1.13 -0.04 -0.41 2.10 -1.13 -1.10 116.57 118.89 2wmd h LYS 293 Ca 0.05 -0.16 0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2wmd h LYS 293 Cb 1.54 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2wmd h LYS 293 CO 0.28 0.87 0.14 0.78 -2.00 0.00 0.00 179.45 179.52 2wmd h GLY 294 N 1.15 0.00 1.94 0.07 0.00 -1.85 -2.93 103.07 101.45 2wmd h GLY 294 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2wmd h GLY 294 CO -0.03 0.00 -0.04 1.22 0.00 0.00 0.00 176.54 177.69 2wmd n ASP 295 N -3.25 0.45 0.07 0.19 8.00 -0.42 -4.27 116.55 117.33 2wmd n ASP 295 Ca -0.02 0.50 -0.21 0.00 0.71 0.00 0.00 54.79 55.77 2wmd n ASP 295 Cb 0.21 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.57 2wmd n ASP 295 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2wmd h PHE 296 N 0.00 0.77 -6.35 1.24 0.04 -1.65 -3.48 116.94 107.52 2wmd h PHE 296 Ca 0.00 -0.52 -0.48 0.00 2.80 0.00 0.00 57.97 59.77 2wmd h PHE 296 Cb 0.63 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 2wmd h PHE 296 CO 0.00 1.38 -0.82 0.09 -0.60 0.00 0.00 178.31 178.37 2wmd n ASN 297 N -3.97 -2.50 -0.07 2.17 3.02 -1.26 -5.11 115.26 107.54 2wmd n ASN 297 Ca -0.14 -0.88 0.16 0.00 -0.03 0.00 0.00 54.58 53.69 2wmd n ASN 297 Cb 0.90 -3.59 0.89 0.00 -0.61 0.00 0.00 39.78 37.37 2wmd n ASN 297 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82