#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpg s GLU 2 N 0.00 2.68 -1.36 2.12 2.02 -1.26 -4.47 118.70 118.43 1wpg s GLU 2 Ca 0.00 -0.83 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 1wpg s GLU 2 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 34.13 31.73 1wpg s GLU 2 CO 0.00 -0.55 0.54 0.00 0.02 0.00 0.00 175.26 175.27 1wpg n ALA 3 N -2.19 -1.05 0.15 5.21 0.00 -1.26 -4.86 120.51 116.51 1wpg n ALA 3 Ca 0.07 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1wpg n ALA 3 Cb 0.59 -3.13 0.46 0.00 0.00 0.00 0.00 19.45 17.37 1wpg n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg h ALA 4 N 0.98 1.65 0.00 0.00 0.00 -1.94 -2.33 119.26 117.62 1wpg h ALA 4 Ca -0.46 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1wpg h ALA 4 Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1wpg h ALA 4 CO 0.55 0.26 -0.43 1.12 0.00 0.00 0.00 179.25 180.75 1wpg h HIS 5 N 0.18 0.00 0.00 0.00 2.07 -1.90 -2.94 115.15 112.56 1wpg h HIS 5 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1wpg h HIS 5 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 1wpg h HIS 5 CO 0.00 0.43 -0.81 -1.13 -3.07 0.00 0.00 177.93 173.36 1wpg n SER 6 N -3.97 0.69 -4.84 3.10 3.41 -0.97 -1.01 113.62 110.02 1wpg n SER 6 Ca -0.02 0.05 -0.31 0.00 -0.26 0.00 0.00 58.87 58.33 1wpg n SER 6 Cb 0.46 0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.82 1wpg n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wpg s LYS 7 N -3.21 3.44 0.71 4.33 1.02 -0.91 -4.61 119.74 120.51 1wpg s LYS 7 Ca 0.04 0.90 -0.07 0.00 0.02 0.00 0.00 55.97 56.87 1wpg s LYS 7 Cb 0.13 -2.06 0.07 0.00 -0.52 0.00 0.00 37.83 35.45 1wpg s LYS 7 CO 0.76 -0.70 1.03 -1.54 -0.92 0.00 0.00 175.35 173.97 1wpg s SER 8 N -3.69 4.74 0.15 2.83 1.04 -1.26 -4.58 113.70 112.93 1wpg s SER 8 Ca 0.58 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 57.28 1wpg s SER 8 Cb -0.12 -1.05 0.04 0.00 0.10 0.00 0.00 66.02 64.99 1wpg s SER 8 CO 0.48 -1.65 1.78 0.74 0.98 0.00 0.00 173.24 175.57 1wpg h THR 9 N -0.64 0.99 -0.52 2.02 2.02 -1.91 -2.38 112.91 112.49 1wpg h THR 9 Ca -0.44 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1wpg h THR 9 Cb 1.31 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1wpg h THR 9 CO 0.59 0.07 0.31 -0.33 0.37 0.00 0.00 175.52 176.54 1wpg h GLU 10 N 0.40 0.61 -0.71 6.66 3.07 -1.99 -2.41 114.58 120.21 1wpg h GLU 10 Ca 0.16 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1wpg h GLU 10 Cb 0.05 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 1wpg h GLU 10 CO -0.10 0.40 0.32 0.93 -1.40 0.00 0.00 179.01 179.17 1wpg h GLU 11 N 0.63 1.02 -0.30 2.33 5.08 -1.86 0.12 114.58 121.58 1wpg h GLU 11 Ca 0.21 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1wpg h GLU 11 Cb 0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1wpg h GLU 11 CO -0.09 0.80 0.03 0.00 -1.00 0.00 0.00 179.01 178.75 1wpg h LEU 13 N 0.33 0.81 -1.45 0.00 3.38 -1.16 -2.53 115.31 114.68 1wpg h LEU 13 Ca 0.09 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1wpg h LEU 13 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wpg h LEU 13 CO 0.01 0.70 -0.27 0.00 0.09 0.00 0.00 178.44 178.98 1wpg h ALA 14 N 1.13 1.33 -0.45 1.53 0.00 -0.52 0.03 119.26 122.32 1wpg h ALA 14 Ca 0.21 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1wpg h ALA 14 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wpg h ALA 14 CO -0.03 0.33 -0.11 -0.92 0.00 0.00 0.00 179.25 178.53 1wpg h TYR 15 N 0.00 0.89 -0.01 0.00 5.03 -0.40 -2.78 116.97 119.69 1wpg h TYR 15 Ca -0.00 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.14 1wpg h TYR 15 Cb 0.55 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1wpg h TYR 15 CO 0.00 0.87 -0.52 1.19 -1.32 0.00 0.00 178.16 178.38 1wpg n PHE 16 N -4.16 0.00 -3.55 -3.82 3.01 -1.13 -4.98 117.46 102.83 1wpg n PHE 16 Ca 0.01 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.27 1wpg n PHE 16 Cb 0.37 -0.02 0.07 0.00 -0.01 0.00 0.00 39.48 39.90 1wpg n PHE 16 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wpg n GLY 17 N 1.42 -0.40 3.27 1.37 0.00 -0.05 -5.00 105.19 105.81 1wpg n GLY 17 Ca 0.09 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1wpg n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpg s VAL 18 N -3.41 1.68 0.03 1.61 0.11 -0.92 -5.04 120.40 114.47 1wpg s VAL 18 Ca 0.17 -1.46 -0.12 0.00 -2.93 0.00 0.00 61.98 57.65 1wpg s VAL 18 Cb -0.08 -1.52 -0.06 0.00 -1.53 0.00 0.00 36.38 33.20 1wpg s VAL 18 CO 0.75 -0.00 0.39 -0.55 -3.33 0.00 0.00 175.10 172.35 1wpg s SER 19 N -1.73 6.71 0.59 3.54 0.15 -1.26 -4.67 113.70 117.03 1wpg s SER 19 Ca 0.06 0.85 0.36 0.00 0.70 0.00 0.00 55.95 57.93 1wpg s SER 19 Cb -0.10 -2.21 1.83 0.00 -1.71 0.00 0.00 66.02 63.84 1wpg s SER 19 CO 0.04 0.27 2.17 -0.08 1.20 0.00 0.00 173.24 176.83 1wpg h GLU 20 N 4.29 0.00 -0.50 5.44 4.81 -1.97 -1.89 114.58 124.76 1wpg h GLU 20 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wpg h GLU 20 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wpg h GLU 20 CO 0.63 0.03 0.00 0.25 -0.73 0.00 0.00 179.01 179.19 1wpg n THR 21 N -3.25 1.39 0.00 0.32 -2.24 -1.26 -4.66 114.28 104.58 1wpg n THR 21 Ca -0.02 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1wpg n THR 21 Cb 0.19 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1wpg n THR 21 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wpg n THR 22 N 0.80 0.00 0.00 4.28 -2.24 -1.07 -5.04 114.28 111.01 1wpg n THR 22 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1wpg n THR 22 Cb 0.65 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1wpg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 23 N 1.81 -0.78 3.73 3.38 0.00 -0.73 -0.47 105.19 112.13 1wpg n GLY 23 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1wpg n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wpg s LEU 24 N -2.28 3.35 0.47 0.99 1.43 -1.25 -3.28 118.68 118.11 1wpg s LEU 24 Ca 0.00 2.29 -0.10 0.00 -1.03 0.00 0.00 54.13 55.29 1wpg s LEU 24 Cb 0.00 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.58 1wpg s LEU 24 CO 0.00 -2.11 0.85 0.42 0.23 0.00 0.00 176.35 175.74 1wpg s THR 25 N -2.03 4.77 0.50 5.49 -4.23 -1.26 -0.66 115.64 118.23 1wpg s THR 25 Ca 0.73 0.64 0.18 0.00 -1.18 0.00 0.00 61.69 62.06 1wpg s THR 25 Cb -0.28 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.10 1wpg s THR 25 CO 0.44 -0.73 2.07 -0.65 -0.54 0.00 0.00 174.62 175.21 1wpg h PRO 26 N 0.69 0.10 -0.05 3.99 0.11 -1.96 -1.02 132.00 133.86 1wpg h PRO 26 Ca -0.47 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1wpg h PRO 26 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wpg h PRO 26 CO 0.63 0.06 -0.86 -0.44 -0.21 0.00 0.00 178.00 177.18 1wpg h ASP 27 N 0.10 0.64 -0.83 -2.05 3.32 -2.00 -2.71 116.42 112.89 1wpg h ASP 27 Ca 0.14 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1wpg h ASP 27 Cb 0.42 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1wpg h ASP 27 CO -0.01 1.25 0.53 1.56 -1.72 0.00 0.00 179.24 180.84 1wpg h GLN 28 N 0.32 1.11 -0.79 3.56 4.20 -1.60 -1.28 115.11 120.63 1wpg h GLN 28 Ca -0.07 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1wpg h GLN 28 Cb 1.48 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 1wpg h GLN 28 CO 0.16 0.76 0.52 0.28 -0.67 0.00 0.00 178.83 179.88 1wpg h VAL 29 N 1.13 1.19 -0.58 -0.54 2.07 -1.23 0.76 116.25 119.05 1wpg h VAL 29 Ca 0.30 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1wpg h VAL 29 Cb -0.09 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 1wpg h VAL 29 CO -0.06 0.19 0.04 0.11 0.02 0.00 0.00 177.57 177.87 1wpg h LYS 30 N 1.06 1.00 -0.02 1.57 1.57 -1.12 0.24 116.57 120.89 1wpg h LYS 30 Ca 0.29 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wpg h LYS 30 Cb -0.11 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1wpg h LYS 30 CO -0.07 0.98 0.01 -0.09 -0.57 0.00 0.00 179.45 179.71 1wpg h ARG 31 N 0.90 0.02 -0.88 3.15 9.65 -0.79 -2.34 114.38 124.10 1wpg h ARG 31 Ca 0.17 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1wpg h ARG 31 Cb 0.50 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1wpg h ARG 31 CO 0.02 0.17 0.47 0.45 2.80 0.00 0.00 179.97 183.88 1wpg h HIS 32 N -0.13 1.22 -0.44 2.20 3.86 -0.72 -0.30 115.15 120.84 1wpg h HIS 32 Ca 0.01 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1wpg h HIS 32 Cb 0.16 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1wpg h HIS 32 CO -0.02 0.85 0.28 1.25 0.86 0.00 0.00 177.93 181.15 1wpg h LEU 33 N 1.23 0.50 0.00 2.43 5.85 -0.34 0.62 115.31 125.61 1wpg h LEU 33 Ca 0.31 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.79 1wpg h LEU 33 Cb 0.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1wpg h LEU 33 CO -0.05 0.37 -1.25 -0.08 -0.34 0.00 0.00 178.44 177.09 1wpg h GLU 34 N 0.59 0.00 0.19 1.25 4.57 -0.91 0.30 114.58 120.57 1wpg h GLU 34 Ca 0.16 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.05 1wpg h GLU 34 Cb -0.05 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1wpg h GLU 34 CO -0.03 0.65 -1.25 -0.22 -1.18 0.00 0.00 179.01 176.98 1wpg h LYS 35 N 0.00 0.52 -0.00 1.92 3.64 -0.32 -3.36 116.57 118.97 1wpg h LYS 35 Ca -0.13 -0.81 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 1wpg h LYS 35 Cb 1.78 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1wpg h LYS 35 CO 0.09 1.38 -0.61 0.66 -2.27 0.00 0.00 179.45 178.69 1wpg n TYR 36 N -3.84 0.00 -0.40 1.91 4.02 0.21 -5.07 117.16 113.99 1wpg n TYR 36 Ca -0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.76 1wpg n TYR 36 Cb 1.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.31 1wpg n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wpg n GLY 37 N 1.30 -2.22 3.81 2.72 0.00 0.10 -4.90 105.19 106.00 1wpg n GLY 37 Ca 0.04 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1wpg n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wpg s HIS 38 N -1.04 3.14 -1.34 1.61 3.76 -1.26 -4.68 115.29 115.48 1wpg s HIS 38 Ca 0.00 1.52 -0.15 0.00 -0.15 0.00 0.00 55.06 56.28 1wpg s HIS 38 Cb 0.00 -2.95 0.09 0.00 1.11 0.00 0.00 32.58 30.83 1wpg s HIS 38 CO 0.00 -0.80 1.87 -1.71 -0.85 0.00 0.00 174.74 173.25 1wpg n ASN 39 N -1.62 4.66 -3.94 1.40 5.15 0.01 -4.34 115.26 116.57 1wpg n ASN 39 Ca 0.08 -2.92 -0.09 0.00 -0.60 0.00 0.00 54.58 51.04 1wpg n ASN 39 Cb 0.53 -1.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.02 1wpg n ASN 39 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wpg s GLU 40 N 3.07 0.55 -0.25 1.20 2.02 -1.26 -3.99 118.70 120.03 1wpg s GLU 40 Ca 0.48 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.59 1wpg s GLU 40 Cb 0.07 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1wpg s GLU 40 CO 0.01 -0.13 0.30 -0.51 0.02 0.00 0.00 175.26 174.94 1wpg s LEU 41 N -2.07 4.07 0.20 1.80 1.02 -1.26 -4.16 118.68 118.27 1wpg s LEU 41 Ca -0.06 0.23 -0.32 0.00 0.02 0.00 0.00 54.13 54.00 1wpg s LEU 41 Cb -0.02 -2.31 -0.12 0.00 0.02 0.00 0.00 46.19 43.76 1wpg s LEU 41 CO -0.04 -0.09 1.71 -0.81 0.02 0.00 0.00 176.35 177.14 1wpg n PRO 42 N 4.94 2.69 -1.93 1.29 -0.04 -1.26 -4.96 135.00 135.73 1wpg n PRO 42 Ca -0.11 0.97 -0.32 0.00 -0.04 0.00 0.00 63.50 64.00 1wpg n PRO 42 Cb 0.51 -2.81 0.02 0.00 -0.04 0.00 0.00 33.50 31.18 1wpg n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpg s ALA 43 N 1.25 2.72 -0.36 0.55 0.00 -1.26 -5.03 121.76 119.64 1wpg s ALA 43 Ca 0.76 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.96 1wpg s ALA 43 Cb -0.53 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.42 1wpg s ALA 43 CO 0.33 -0.91 0.15 -2.00 0.00 0.00 0.00 175.76 173.33 1wpg s GLU 44 N -4.30 2.63 0.22 0.00 2.12 -1.26 -5.08 118.70 113.03 1wpg s GLU 44 Ca 0.62 -1.22 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1wpg s GLU 44 Cb -0.15 -3.56 -0.09 0.00 0.26 0.00 0.00 34.13 30.58 1wpg s GLU 44 CO 0.41 -0.73 1.33 -1.21 -0.54 0.00 0.00 175.26 174.53 1wpg s GLU 45 N 1.42 4.36 0.55 4.30 2.02 -1.26 -5.02 118.70 125.08 1wpg s GLU 45 Ca -0.00 2.11 -0.07 0.00 0.02 0.00 0.00 54.97 57.03 1wpg s GLU 45 Cb -0.20 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1wpg s GLU 45 CO 0.03 -0.28 0.88 0.20 0.02 0.00 0.00 175.26 176.11 1wpg s GLY 46 N 0.30 1.56 0.24 -1.39 0.00 -1.26 -5.02 107.32 101.75 1wpg s GLY 46 Ca 0.57 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 1wpg s GLY 46 CO 0.40 -0.24 1.39 0.54 0.00 0.00 0.00 173.10 175.18 1wpg s LYS 47 N -4.93 4.31 1.02 2.90 1.02 -1.26 -4.99 119.74 117.81 1wpg s LYS 47 Ca 0.51 2.22 -0.12 0.00 0.02 0.00 0.00 55.97 58.60 1wpg s LYS 47 Cb -0.11 -3.13 0.20 0.00 -0.52 0.00 0.00 37.83 34.28 1wpg s LYS 47 CO 0.47 -0.35 1.08 -1.54 -0.92 0.00 0.00 175.35 174.09 1wpg s SER 48 N 0.30 2.17 0.24 2.83 1.04 -1.26 -4.78 113.70 114.24 1wpg s SER 48 Ca 0.58 1.73 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 1wpg s SER 48 Cb -0.40 -2.36 0.24 0.00 0.10 0.00 0.00 66.02 63.60 1wpg s SER 48 CO 0.42 -3.49 1.92 0.25 0.98 0.00 0.00 173.24 173.31 1wpg h LEU 49 N -2.14 1.08 -0.42 2.42 5.85 -2.00 -1.83 115.31 118.27 1wpg h LEU 49 Ca -0.53 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 1wpg h LEU 49 Cb 1.30 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1wpg h LEU 49 CO 0.48 0.78 -0.02 -0.25 -0.34 0.00 0.00 178.44 179.09 1wpg h TRP 50 N 1.27 0.82 -0.76 1.25 -0.00 -2.01 -2.92 115.95 113.61 1wpg h TRP 50 Ca 0.35 -0.15 0.05 0.00 -0.00 0.00 0.00 58.89 59.14 1wpg h TRP 50 Cb -0.14 -0.21 -0.05 0.00 -0.00 0.00 0.00 29.16 28.77 1wpg h TRP 50 CO -0.01 0.83 0.50 1.49 -0.00 0.00 0.00 178.44 181.25 1wpg h GLU 51 N 0.58 0.84 -0.49 2.65 4.57 -1.76 -1.61 114.58 119.36 1wpg h GLU 51 Ca 0.12 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1wpg h GLU 51 Cb 0.51 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1wpg h GLU 51 CO 0.02 0.55 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.28 1wpg h LEU 52 N 0.86 0.83 0.07 1.64 3.38 -1.18 -2.79 115.31 118.12 1wpg h LEU 52 Ca 0.32 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wpg h LEU 52 Cb 0.16 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wpg h LEU 52 CO -0.10 0.93 -0.03 0.58 0.09 0.00 0.00 178.44 179.90 1wpg h VAL 53 N 0.78 1.13 -0.74 1.22 2.07 -1.15 -2.92 116.25 116.64 1wpg h VAL 53 Ca 0.14 -0.68 0.19 0.00 0.82 0.00 0.00 66.70 67.17 1wpg h VAL 53 Cb 0.54 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1wpg h VAL 53 CO 0.03 0.17 0.52 0.40 0.02 0.00 0.00 177.57 178.71 1wpg h ILE 54 N -0.40 0.68 0.00 4.57 2.04 -1.28 0.41 117.51 123.53 1wpg h ILE 54 Ca -0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1wpg h ILE 54 Cb 0.35 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1wpg h ILE 54 CO 0.02 0.03 0.00 -0.33 0.00 0.00 0.00 178.15 177.86 1wpg h GLU 55 N 0.14 0.00 0.00 2.37 5.08 -1.31 -2.93 114.58 117.93 1wpg h GLU 55 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1wpg h GLU 55 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wpg h GLU 55 CO -0.05 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.00 1wpg n GLN 56 N -2.39 0.17 -0.65 2.33 1.13 0.14 -3.09 117.38 115.02 1wpg n GLN 56 Ca 0.04 0.21 0.02 0.00 -1.94 0.00 0.00 57.00 55.33 1wpg n GLN 56 Cb 0.39 -1.73 0.20 0.00 0.11 0.00 0.00 30.24 29.22 1wpg n GLN 56 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1wpg n PHE 57 N -2.03 0.53 -0.02 1.08 3.72 -1.11 -4.58 117.46 115.06 1wpg n PHE 57 Ca 0.05 -1.49 -0.06 0.00 -0.05 0.00 0.00 57.45 55.90 1wpg n PHE 57 Cb 0.35 -0.36 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 1wpg n PHE 57 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wpg n GLU 58 N -1.12 0.64 -1.69 -1.08 1.02 -1.18 -4.77 120.64 112.47 1wpg n GLU 58 Ca 0.25 0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 57.19 1wpg n GLU 58 Cb 0.85 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1wpg n GLU 58 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wpg n ASP 59 N -2.93 2.54 0.29 1.62 2.03 -1.26 -4.93 116.55 113.91 1wpg n ASP 59 Ca -0.17 1.17 -0.16 0.00 0.52 0.00 0.00 54.79 56.16 1wpg n ASP 59 Cb 0.99 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 39.84 1wpg n ASP 59 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1wpg h LEU 60 N 2.35 -0.62 -1.05 -2.67 5.85 -1.96 -2.59 115.31 114.62 1wpg h LEU 60 Ca -0.46 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.29 1wpg h LEU 60 Cb 1.29 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.42 1wpg h LEU 60 CO 0.61 -0.35 0.64 -0.07 -0.34 0.00 0.00 178.44 178.93 1wpg h LEU 61 N -0.87 1.02 -1.72 2.25 3.38 -1.92 0.27 115.31 117.73 1wpg h LEU 61 Ca -0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1wpg h LEU 61 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wpg h LEU 61 CO 0.12 0.66 -0.14 0.58 0.09 0.00 0.00 178.44 179.75 1wpg h VAL 62 N 1.16 1.09 0.02 1.22 2.07 -1.94 0.22 116.25 120.08 1wpg h VAL 62 Ca 0.42 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1wpg h VAL 62 Cb 0.15 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1wpg h VAL 62 CO -0.16 0.14 -0.50 0.03 0.02 0.00 0.00 177.57 177.11 1wpg h ARG 63 N 0.00 0.31 -0.92 1.57 3.08 -0.62 -1.73 114.38 116.06 1wpg h ARG 63 Ca -0.00 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.70 1wpg h ARG 63 Cb 0.26 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1wpg h ARG 63 CO 0.02 1.06 0.60 0.82 -1.07 0.00 0.00 179.97 181.39 1wpg h ILE 64 N -0.29 1.24 0.00 2.04 1.08 -0.58 0.46 117.51 121.46 1wpg h ILE 64 Ca -0.07 -0.46 -0.09 0.00 -0.39 0.00 0.00 64.86 63.85 1wpg h ILE 64 Cb 1.25 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1wpg h ILE 64 CO 0.10 0.24 -0.42 0.25 -0.69 0.00 0.00 178.15 177.63 1wpg h LEU 65 N 1.26 0.00 0.07 1.44 5.85 -0.61 -1.41 115.31 121.90 1wpg h LEU 65 Ca 0.34 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.78 1wpg h LEU 65 Cb -0.12 0.00 0.03 0.00 0.37 0.00 0.00 40.66 40.93 1wpg h LEU 65 CO -0.07 0.42 -1.12 0.25 -0.34 0.00 0.00 178.44 177.58 1wpg h LEU 66 N 0.00 0.87 -0.44 2.25 5.85 -0.10 -2.73 115.31 121.01 1wpg h LEU 66 Ca -0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 1wpg h LEU 66 Cb 0.83 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1wpg h LEU 66 CO 0.05 1.56 0.25 0.25 -0.34 0.00 0.00 178.44 180.22 1wpg h LEU 67 N 0.28 0.54 -1.83 2.25 5.85 0.04 -1.29 115.31 121.15 1wpg h LEU 67 Ca -0.16 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1wpg h LEU 67 Cb 1.79 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1wpg h LEU 67 CO 0.22 0.45 -0.07 0.00 -0.34 0.00 0.00 178.44 178.70 1wpg h ALA 68 N 1.11 1.86 0.05 1.25 0.00 -1.31 -1.10 119.26 121.11 1wpg h ALA 68 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wpg h ALA 68 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wpg h ALA 68 CO -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.31 1wpg h ALA 69 N 1.91 -0.06 -0.32 0.00 0.00 -0.92 0.60 119.26 120.46 1wpg h ALA 69 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wpg h ALA 69 Cb 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wpg h ALA 69 CO 0.01 -0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.01 1wpg h ILE 71 N 0.38 1.12 0.00 0.00 2.04 -1.20 0.59 117.51 120.44 1wpg h ILE 71 Ca 0.11 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 1wpg h ILE 71 Cb 0.17 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1wpg h ILE 71 CO -0.01 0.16 -0.48 -1.28 0.00 0.00 0.00 178.15 176.54 1wpg h SER 72 N 0.88 0.00 0.58 1.72 0.87 -0.21 -2.32 113.55 115.06 1wpg h SER 72 Ca 0.28 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 1wpg h SER 72 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1wpg h SER 72 CO -0.07 0.48 -0.88 0.15 -0.53 0.00 0.00 176.83 175.97 1wpg h PHE 73 N 0.00 0.31 -0.06 2.24 3.04 0.12 -2.78 116.94 119.81 1wpg h PHE 73 Ca -0.00 -0.17 -0.02 0.00 3.98 0.00 0.00 57.97 61.75 1wpg h PHE 73 Cb 0.90 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.37 1wpg h PHE 73 CO 0.00 0.99 -0.05 0.28 -2.02 0.00 0.00 178.31 177.50 1wpg h VAL 74 N 0.11 1.37 0.00 1.41 2.07 -0.84 -2.83 116.25 117.54 1wpg h VAL 74 Ca -0.05 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1wpg h VAL 74 Cb 1.52 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1wpg h VAL 74 CO 0.14 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.23 1wpg n LEU 75 N -4.74 0.38 -0.03 2.57 4.32 -0.89 -2.23 117.00 116.38 1wpg n LEU 75 Ca -0.08 0.63 -0.17 0.00 -0.02 0.00 0.00 56.01 56.38 1wpg n LEU 75 Cb 0.29 -0.63 -0.07 0.00 -1.62 0.00 0.00 43.42 41.39 1wpg n LEU 75 CO 0.36 -0.62 0.33 0.00 -1.22 0.00 0.00 177.39 176.23 1wpg h ALA 76 N 2.17 0.29 0.00 -1.18 0.00 -1.23 -2.98 119.26 116.33 1wpg h ALA 76 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1wpg h ALA 76 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wpg h ALA 76 CO 0.00 0.57 0.00 0.91 0.00 0.00 0.00 179.25 180.73 1wpg n TRP 77 N -4.05 0.00 -3.54 0.00 7.02 -0.95 -3.88 117.44 112.04 1wpg n TRP 77 Ca -0.07 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.14 1wpg n TRP 77 Cb 0.68 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.48 1wpg n TRP 77 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1wpg n PHE 78 N -0.90 3.06 -3.49 -5.99 3.01 -1.12 -5.05 117.46 106.98 1wpg n PHE 78 Ca 0.11 -4.13 -0.12 0.00 1.01 0.00 0.00 57.45 54.32 1wpg n PHE 78 Cb 0.05 -0.53 -0.03 0.00 -0.01 0.00 0.00 39.48 38.95 1wpg n PHE 78 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1wpg s GLU 79 N -1.99 1.01 0.98 -1.08 2.12 -1.25 -4.98 118.70 113.50 1wpg s GLU 79 Ca 0.35 -0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.39 1wpg s GLU 79 Cb 0.09 0.47 0.09 0.00 0.26 0.00 0.00 34.13 35.04 1wpg s GLU 79 CO -0.07 -0.40 0.59 -0.85 -0.54 0.00 0.00 175.26 173.99 1wpg n GLU 80 N 0.12 -0.62 -0.54 4.30 0.00 -1.26 -4.91 120.64 117.72 1wpg n GLU 80 Ca -0.14 -0.14 0.07 0.00 0.00 0.00 0.00 57.16 56.95 1wpg n GLU 80 Cb 0.61 -1.99 0.29 0.00 0.00 0.00 0.00 31.44 30.35 1wpg n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wpg n GLY 81 N 1.21 2.27 0.10 -1.84 0.00 -1.26 -4.09 105.19 101.58 1wpg n GLY 81 Ca 0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 1wpg n GLY 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wpg h GLU 82 N 3.14 0.00 -1.28 1.61 4.11 -2.07 -3.40 114.58 116.69 1wpg h GLU 82 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.00 1wpg h GLU 82 Cb 1.31 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.26 1wpg h GLU 82 CO 0.24 0.54 -0.89 0.39 0.07 0.00 0.00 179.01 179.36 1wpg n GLU 83 N -3.13 0.76 -0.08 1.06 1.02 -1.26 -4.93 120.64 114.09 1wpg n GLU 83 Ca -0.04 -2.71 -0.06 0.00 -0.02 0.00 0.00 57.16 54.33 1wpg n GLU 83 Cb 0.85 -1.32 -0.15 0.00 -0.02 0.00 0.00 31.44 30.80 1wpg n GLU 83 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1wpg n THR 84 N 1.37 1.06 0.26 2.62 5.66 -1.26 -4.17 114.28 119.83 1wpg n THR 84 Ca 0.17 -0.74 0.13 0.00 -3.05 0.00 0.00 64.05 60.55 1wpg n THR 84 Cb 0.58 -0.40 0.73 0.00 -1.55 0.00 0.00 70.33 69.69 1wpg n THR 84 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1wpg h ILE 85 N 0.00 0.56 -0.59 1.09 6.09 -1.93 -2.51 117.51 120.22 1wpg h ILE 85 Ca -0.42 -0.50 -0.41 0.00 -1.37 0.00 0.00 64.86 62.16 1wpg h ILE 85 Cb 1.94 1.33 -0.28 0.00 0.47 0.00 0.00 36.82 40.28 1wpg h ILE 85 CO 0.02 0.11 -0.36 0.35 -3.07 0.00 0.00 178.15 175.20 1wpg n THR 86 N -3.65 2.65 -0.02 2.19 -2.24 -1.26 -4.56 114.28 107.40 1wpg n THR 86 Ca -0.02 -3.57 -0.02 0.00 -2.27 0.00 0.00 64.05 58.17 1wpg n THR 86 Cb 0.23 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 1wpg n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpg n ALA 87 N -0.89 1.91 0.51 6.98 0.00 -0.95 -4.60 120.51 123.47 1wpg n ALA 87 Ca 0.41 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.64 1wpg n ALA 87 Cb 0.91 0.21 0.12 0.00 0.00 0.00 0.00 19.45 20.68 1wpg n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wpg n PHE 88 N -2.21 0.61 0.00 0.00 3.01 -1.25 -4.12 117.46 113.49 1wpg n PHE 88 Ca -0.06 -0.22 -0.12 0.00 1.01 0.00 0.00 57.45 58.06 1wpg n PHE 88 Cb 0.61 -0.20 -0.10 0.00 -0.01 0.00 0.00 39.48 39.79 1wpg n PHE 88 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1wpg h VAL 89 N 1.26 1.26 -0.27 -4.37 2.07 -1.87 -3.01 116.25 111.31 1wpg h VAL 89 Ca 0.00 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1wpg h VAL 89 Cb 0.88 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 1wpg h VAL 89 CO 0.14 0.33 -0.20 -0.08 0.02 0.00 0.00 177.57 177.77 1wpg h GLU 90 N -0.72 -0.18 -0.40 1.57 4.81 -1.93 0.33 114.58 118.06 1wpg h GLU 90 Ca -0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1wpg h GLU 90 Cb 0.60 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1wpg h GLU 90 CO 0.01 -0.12 0.15 -1.35 -0.73 0.00 0.00 179.01 176.97 1wpg h PRO 91 N -0.19 0.30 -0.26 0.92 0.11 -1.83 -1.03 132.00 130.02 1wpg h PRO 91 Ca 0.15 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 1wpg h PRO 91 Cb 0.41 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1wpg h PRO 91 CO -0.38 0.20 -0.14 0.74 -0.21 0.00 0.00 178.00 178.21 1wpg h PHE 92 N 0.31 0.64 0.33 0.65 -1.00 -1.31 -2.25 116.94 114.31 1wpg h PHE 92 Ca 0.18 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1wpg h PHE 92 Cb 0.16 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1wpg h PHE 92 CO -0.14 0.81 -0.16 0.28 -1.61 0.00 0.00 178.31 177.49 1wpg h VAL 93 N 0.28 0.68 0.00 -0.55 2.07 -0.23 0.97 116.25 119.48 1wpg h VAL 93 Ca 0.06 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1wpg h VAL 93 Cb 0.65 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1wpg h VAL 93 CO 0.04 0.01 -0.00 -0.29 0.02 0.00 0.00 177.57 177.34 1wpg h ILE 94 N -0.46 0.06 0.10 4.57 2.10 -1.25 -1.39 117.51 121.24 1wpg h ILE 94 Ca -0.05 -0.09 -0.30 0.00 1.08 0.00 0.00 64.86 65.50 1wpg h ILE 94 Cb 0.35 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 1wpg h ILE 94 CO 0.07 0.00 -1.58 0.25 -1.08 0.00 0.00 178.15 175.82 1wpg h LEU 95 N 0.00 0.35 -2.12 2.19 5.85 -0.71 -3.17 115.31 117.70 1wpg h LEU 95 Ca -0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1wpg h LEU 95 Cb 0.09 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1wpg h LEU 95 CO 0.00 1.68 0.01 0.25 -0.34 0.00 0.00 178.44 180.04 1wpg h LEU 96 N -0.28 0.00 0.06 2.25 6.46 0.17 -1.20 115.31 122.78 1wpg h LEU 96 Ca -0.35 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1wpg h LEU 96 Cb 1.79 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 1wpg h LEU 96 CO 0.03 0.00 -0.03 0.40 -0.62 0.00 0.00 178.44 178.22 1wpg h ILE 97 N 0.00 1.18 -0.92 4.05 2.04 -1.40 -1.98 117.51 120.48 1wpg h ILE 97 Ca 0.01 -1.54 0.12 0.00 1.00 0.00 0.00 64.86 64.45 1wpg h ILE 97 Cb 0.03 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 1wpg h ILE 97 CO -0.00 0.35 0.59 -0.07 0.00 0.00 0.00 178.15 179.01 1wpg h LEU 98 N -0.86 0.78 -0.59 1.44 4.07 -1.44 0.12 115.31 118.83 1wpg h LEU 98 Ca -0.01 0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.85 1wpg h LEU 98 Cb 0.63 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1wpg h LEU 98 CO 0.01 0.42 -0.64 0.40 -1.08 0.00 0.00 178.44 177.56 1wpg h ILE 99 N 0.84 1.34 0.12 1.22 2.04 -1.30 -2.55 117.51 119.23 1wpg h ILE 99 Ca 0.45 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 1wpg h ILE 99 Cb 0.55 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1wpg h ILE 99 CO -0.21 0.62 -0.06 0.00 0.00 0.00 0.00 178.15 178.50 1wpg h ALA 100 N 1.36 -0.16 0.00 1.87 0.00 -0.02 -0.20 119.26 122.10 1wpg h ALA 100 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wpg h ALA 100 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wpg h ALA 100 CO 0.08 -0.40 0.00 -0.91 0.00 0.00 0.00 179.25 178.03 1wpg h ASN 101 N -0.55 0.00 0.04 0.00 2.35 -1.24 -2.67 115.58 113.50 1wpg h ASN 101 Ca -0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1wpg h ASN 101 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1wpg h ASN 101 CO 0.03 0.00 -0.45 0.00 -1.65 0.00 0.00 177.43 175.36 1wpg h ALA 102 N 2.07 0.04 0.00 -0.83 0.00 -1.31 -2.23 119.26 116.98 1wpg h ALA 102 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1wpg h ALA 102 Cb 0.46 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wpg h ALA 102 CO 0.00 0.24 -0.07 0.97 0.00 0.00 0.00 179.25 180.39 1wpg h ILE 103 N -0.83 0.94 0.00 0.00 2.10 -0.98 -1.40 117.51 117.35 1wpg h ILE 103 Ca -0.10 -0.24 -0.24 0.00 1.08 0.00 0.00 64.86 65.35 1wpg h ILE 103 Cb 1.23 1.14 -0.04 0.00 -1.09 0.00 0.00 36.82 38.06 1wpg h ILE 103 CO 0.00 0.07 -1.23 0.58 -1.08 0.00 0.00 178.15 176.48 1wpg h VAL 104 N 0.00 1.43 -0.05 2.19 2.07 -1.57 -3.00 116.25 117.32 1wpg h VAL 104 Ca -0.00 -3.18 -0.10 0.00 0.82 0.00 0.00 66.70 64.23 1wpg h VAL 104 Cb 0.13 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1wpg h VAL 104 CO 0.01 0.82 -0.43 1.23 0.02 0.00 0.00 177.57 179.22 1wpg h GLY 105 N 3.10 0.13 1.81 2.17 0.00 -0.64 -2.37 103.07 107.27 1wpg h GLY 105 Ca -0.10 -0.12 -0.24 0.00 0.00 0.00 0.00 47.33 46.86 1wpg h GLY 105 CO 0.12 0.11 -1.13 -2.08 0.00 0.00 0.00 176.54 173.56 1wpg h VAL 106 N 0.10 1.59 -0.42 4.60 2.07 -1.43 -3.13 116.25 119.63 1wpg h VAL 106 Ca 0.01 -3.25 -0.11 0.00 0.82 0.00 0.00 66.70 64.16 1wpg h VAL 106 Cb 0.81 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1wpg h VAL 106 CO 0.06 0.93 -0.19 -0.25 0.02 0.00 0.00 177.57 178.13 1wpg h TRP 107 N 0.03 0.93 0.00 1.57 7.01 -1.36 -1.96 115.95 122.17 1wpg h TRP 107 Ca -0.07 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1wpg h TRP 107 Cb 1.86 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.69 1wpg h TRP 107 CO 0.03 0.95 -0.09 1.96 -2.79 0.00 0.00 178.44 178.50 1wpg h GLN 108 N 0.72 0.00 0.00 2.65 4.20 -1.52 -3.33 115.11 117.84 1wpg h GLN 108 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wpg h GLN 108 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1wpg h GLN 108 CO 0.05 0.00 -1.77 -1.91 -0.67 0.00 0.00 178.83 174.54 1wpg n GLU 109 N -2.88 0.64 0.00 1.46 2.13 -1.16 -4.15 120.64 116.69 1wpg n GLU 109 Ca 0.04 -0.13 0.13 0.00 0.66 0.00 0.00 57.16 57.86 1wpg n GLU 109 Cb 0.51 -1.59 0.57 0.00 0.27 0.00 0.00 31.44 31.20 1wpg n GLU 109 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1wpg n ARG 110 N -2.35 0.01 -1.60 5.31 1.85 -0.75 -3.64 116.66 115.50 1wpg n ARG 110 Ca -0.03 0.05 -0.30 0.00 -1.00 0.00 0.00 57.85 56.56 1wpg n ARG 110 Cb 0.56 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.44 1wpg n ARG 110 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1wpg n ASN 111 N -1.49 6.76 -4.21 2.89 3.02 -1.26 -4.89 115.26 116.07 1wpg n ASN 111 Ca 0.07 -3.38 -0.35 0.00 -0.03 0.00 0.00 54.58 50.89 1wpg n ASN 111 Cb 0.30 -1.19 -0.14 0.00 -0.61 0.00 0.00 39.78 38.15 1wpg n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpg s ALA 112 N -2.35 2.75 0.84 5.41 0.00 -1.24 -5.11 121.76 122.07 1wpg s ALA 112 Ca 0.57 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 1wpg s ALA 112 Cb 0.40 -1.77 0.10 0.00 0.00 0.00 0.00 23.12 21.85 1wpg s ALA 112 CO -0.27 -0.87 1.09 -1.21 0.00 0.00 0.00 175.76 174.50 1wpg s GLU 113 N 1.34 1.71 -0.23 0.00 2.02 -1.26 -5.03 118.70 117.26 1wpg s GLU 113 Ca -0.00 0.75 -0.06 0.00 0.02 0.00 0.00 54.97 55.68 1wpg s GLU 113 Cb -0.17 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1wpg s GLU 113 CO -0.03 -1.91 0.03 1.21 0.02 0.00 0.00 175.26 174.58 1wpg s ASN 114 N -3.65 4.90 0.30 -0.19 3.84 -1.26 -4.98 114.94 113.90 1wpg s ASN 114 Ca 0.62 -0.23 0.13 0.00 0.21 0.00 0.00 52.86 53.59 1wpg s ASN 114 Cb -0.16 -1.86 0.45 0.00 -0.55 0.00 0.00 41.25 39.13 1wpg s ASN 114 CO 0.56 0.01 1.65 0.00 -2.79 0.00 0.00 177.10 176.52 1wpg h ALA 115 N 7.92 1.00 -0.23 1.71 0.00 -1.93 -2.77 119.26 124.96 1wpg h ALA 115 Ca -0.38 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 53.85 1wpg h ALA 115 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wpg h ALA 115 CO 0.60 0.68 -0.60 0.82 0.00 0.00 0.00 179.25 180.76 1wpg h ILE 116 N 0.00 1.29 -0.86 0.00 1.08 -1.95 -1.89 117.51 115.19 1wpg h ILE 116 Ca -0.01 -1.81 -0.02 0.00 -0.39 0.00 0.00 64.86 62.64 1wpg h ILE 116 Cb 1.03 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.49 1wpg h ILE 116 CO 0.07 0.58 0.47 -0.08 -0.69 0.00 0.00 178.15 178.50 1wpg h GLU 117 N 0.56 1.19 -0.21 2.37 4.81 -1.93 0.27 114.58 121.65 1wpg h GLU 117 Ca -0.00 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1wpg h GLU 117 Cb 1.19 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1wpg h GLU 117 CO 0.12 0.87 -0.25 0.00 -0.73 0.00 0.00 179.01 179.03 1wpg h ALA 118 N 1.25 1.18 -0.55 2.92 0.00 -1.37 -2.67 119.26 120.03 1wpg h ALA 118 Ca 0.30 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1wpg h ALA 118 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1wpg h ALA 118 CO -0.05 0.53 -0.06 1.25 0.00 0.00 0.00 179.25 180.92 1wpg h LEU 119 N 0.35 0.98 -0.61 0.00 5.85 -0.41 -2.56 115.31 118.90 1wpg h LEU 119 Ca 0.05 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1wpg h LEU 119 Cb 0.64 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1wpg h LEU 119 CO 0.05 1.06 0.00 0.29 -0.34 0.00 0.00 178.44 179.50 1wpg n LYS 120 N -4.16 0.09 0.00 1.25 5.02 -0.03 -1.52 118.16 118.81 1wpg n LYS 120 Ca 0.02 0.47 0.07 0.00 -2.02 0.00 0.00 58.31 56.85 1wpg n LYS 120 Cb 0.37 -1.73 0.33 0.00 -0.02 0.00 0.00 35.03 33.98 1wpg n LYS 120 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wpg n GLU 121 N -1.92 0.10 -0.13 1.97 1.02 -0.97 -1.18 120.64 119.53 1wpg n GLU 121 Ca 0.01 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.46 1wpg n GLU 121 Cb 0.11 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.32 1wpg n GLU 121 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wpg n TYR 122 N -1.40 0.33 -3.33 -0.32 4.02 -0.58 -4.76 117.16 111.13 1wpg n TYR 122 Ca 0.05 -0.17 -0.40 0.00 -0.01 0.00 0.00 57.90 57.37 1wpg n TYR 122 Cb 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.38 1wpg n TYR 122 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1wpg s GLU 123 N -1.67 3.83 0.51 -0.72 2.02 -0.33 -3.88 118.70 118.46 1wpg s GLU 123 Ca 0.34 -0.07 -0.19 0.00 0.02 0.00 0.00 54.97 55.08 1wpg s GLU 123 Cb 0.19 -3.73 -0.07 0.00 0.10 0.00 0.00 34.13 30.62 1wpg s GLU 123 CO 0.28 -0.44 1.04 -1.25 0.02 0.00 0.00 175.26 174.91 1wpg s PRO 124 N 2.18 3.69 0.00 0.39 0.04 -1.26 -4.97 135.00 135.08 1wpg s PRO 124 Ca 0.16 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 1wpg s PRO 124 Cb -0.16 -2.08 -0.18 0.00 0.04 0.00 0.00 34.50 32.12 1wpg s PRO 124 CO 0.11 -0.51 1.30 1.49 0.04 0.00 0.00 177.00 179.43 1wpg h GLU 125 N 1.24 0.14 -6.20 4.56 4.81 -1.96 -3.41 114.58 113.76 1wpg h GLU 125 Ca -0.49 -0.07 -0.49 0.00 -0.13 0.00 0.00 59.36 58.18 1wpg h GLU 125 Cb 1.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1wpg h GLU 125 CO 0.59 0.58 -0.50 -1.64 -0.73 0.00 0.00 179.01 177.31 1wpg s MET 126 N -4.28 3.04 0.17 1.92 -1.94 -1.26 0.54 119.30 117.48 1wpg s MET 126 Ca -0.15 -0.99 -0.08 0.00 -1.71 0.00 0.00 55.69 52.75 1wpg s MET 126 Cb 0.03 -2.64 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 1wpg s MET 126 CO 0.70 0.40 0.27 0.20 -0.01 0.00 0.00 175.02 176.58 1wpg s GLY 127 N -3.88 0.58 -0.14 -0.03 0.00 -0.33 -4.54 107.32 98.99 1wpg s GLY 127 Ca 0.33 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1wpg s GLY 127 CO 0.26 -0.90 -0.20 0.54 0.00 0.00 0.00 173.10 172.80 1wpg s LYS 128 N -3.99 2.79 0.25 2.90 1.02 -1.26 -1.41 119.74 120.04 1wpg s LYS 128 Ca 0.19 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.46 1wpg s LYS 128 Cb 0.04 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1wpg s LYS 128 CO 0.01 -0.07 -0.00 0.14 -0.92 0.00 0.00 175.35 174.51 1wpg s VAL 129 N 0.98 1.15 -0.20 3.17 -7.23 -0.12 -1.33 120.40 116.81 1wpg s VAL 129 Ca -0.04 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1wpg s VAL 129 Cb -0.15 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.39 1wpg s VAL 129 CO -0.04 -0.27 -0.17 -0.31 -0.31 0.00 0.00 175.10 173.99 1wpg s TYR 130 N -3.34 2.90 0.15 2.82 1.51 -0.25 -0.28 117.35 120.86 1wpg s TYR 130 Ca 0.30 -1.78 0.09 0.00 -1.01 0.00 0.00 57.07 54.67 1wpg s TYR 130 Cb 0.06 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1wpg s TYR 130 CO 0.10 -0.82 -0.17 1.03 -1.11 0.00 0.00 175.55 174.58 1wpg s ARG 131 N 1.25 1.80 0.37 -0.62 1.81 -1.21 -3.94 118.95 118.41 1wpg s ARG 131 Ca 0.02 -1.27 0.17 0.00 -1.72 0.00 0.00 55.73 52.93 1wpg s ARG 131 Cb -0.15 -2.07 0.94 0.00 -0.45 0.00 0.00 34.95 33.22 1wpg s ARG 131 CO -0.11 0.45 1.46 0.00 -0.68 0.00 0.00 175.30 176.42 1wpg h ALA 132 N 3.41 1.17 0.15 2.13 0.00 0.16 -2.51 119.26 123.78 1wpg h ALA 132 Ca -0.48 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1wpg h ALA 132 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1wpg h ALA 132 CO 0.48 -0.17 -0.38 0.22 0.00 0.00 0.00 179.25 179.40 1wpg h ASP 133 N 0.00 -1.11 -4.88 0.00 3.58 -1.82 -3.45 116.42 108.74 1wpg h ASP 133 Ca 0.00 0.12 -0.23 0.00 0.42 0.00 0.00 57.03 57.34 1wpg h ASP 133 Cb 0.49 0.41 -0.15 0.00 1.72 0.00 0.00 39.33 41.80 1wpg h ASP 133 CO 0.00 -0.47 -0.66 0.00 -2.88 0.00 0.00 179.24 175.23 1wpg s ARG 134 N -5.95 0.98 0.14 0.28 3.03 -0.95 -5.06 118.95 111.42 1wpg s ARG 134 Ca -0.16 -1.46 0.08 0.00 2.03 0.00 0.00 55.73 56.23 1wpg s ARG 134 Cb 0.07 -0.05 -0.17 0.00 -1.03 0.00 0.00 34.95 33.77 1wpg s ARG 134 CO 0.64 -0.16 1.28 -0.22 -1.13 0.00 0.00 175.30 175.71 1wpg h LYS 135 N 2.82 0.00 -6.70 3.89 1.63 -1.88 -3.40 116.57 112.93 1wpg h LYS 135 Ca -0.36 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 58.95 1wpg h LYS 135 Cb 1.19 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1wpg h LYS 135 CO 0.62 0.90 -0.02 -1.54 -3.45 0.00 0.00 179.45 175.96 1wpg s SER 136 N -6.65 6.37 0.57 4.20 1.04 -1.26 -5.03 113.70 112.94 1wpg s SER 136 Ca 0.01 0.81 -0.21 0.00 0.48 0.00 0.00 55.95 57.04 1wpg s SER 136 Cb 0.10 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 1wpg s SER 136 CO 0.81 -0.38 1.36 0.55 0.98 0.00 0.00 173.24 176.56 1wpg n VAL 137 N -1.60 4.08 -4.72 5.02 3.14 -1.26 -4.81 118.33 118.17 1wpg n VAL 137 Ca -0.01 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.54 1wpg n VAL 137 Cb 0.55 -1.65 -0.16 0.00 -1.06 0.00 0.00 33.84 31.52 1wpg n VAL 137 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wpg s GLN 138 N -2.99 3.11 -0.47 1.45 -0.21 0.62 -4.96 119.66 116.21 1wpg s GLN 138 Ca 0.74 -0.81 -0.18 0.00 0.02 0.00 0.00 55.36 55.13 1wpg s GLN 138 Cb -0.41 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.16 1wpg s GLN 138 CO 0.47 0.04 0.51 0.50 -2.12 0.00 0.00 175.29 174.69 1wpg s ARG 139 N 0.71 3.08 0.43 2.91 3.52 -1.26 -0.95 118.95 127.38 1wpg s ARG 139 Ca -0.09 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 54.55 1wpg s ARG 139 Cb -0.16 -4.07 0.01 0.00 -1.56 0.00 0.00 34.95 29.17 1wpg s ARG 139 CO 0.01 -1.06 0.08 0.44 -0.81 0.00 0.00 175.30 173.96 1wpg n ILE 140 N 5.45 0.00 -2.29 4.11 -5.35 -0.50 -4.92 119.36 115.86 1wpg n ILE 140 Ca -0.08 -1.93 -0.41 0.00 -0.27 0.00 0.00 62.75 60.05 1wpg n ILE 140 Cb 0.45 0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1wpg n ILE 140 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1wpg s LYS 141 N -3.59 4.43 0.45 6.28 -0.14 -1.26 -1.18 119.74 124.72 1wpg s LYS 141 Ca 0.06 1.96 0.11 0.00 -1.36 0.00 0.00 55.97 56.74 1wpg s LYS 141 Cb -0.00 -3.23 1.01 0.00 -1.68 0.00 0.00 37.83 33.93 1wpg s LYS 141 CO 0.04 -0.21 2.07 0.00 -0.76 0.00 0.00 175.35 176.49 1wpg h ALA 142 N 5.58 1.86 0.00 5.17 0.00 -0.14 -0.77 119.26 130.97 1wpg h ALA 142 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wpg h ALA 142 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wpg h ALA 142 CO 0.77 0.11 0.00 2.89 0.00 0.00 0.00 179.25 183.02 1wpg n ARG 143 N -4.49 0.08 -0.19 0.00 1.85 -1.26 -1.70 116.66 110.96 1wpg n ARG 143 Ca 0.03 0.42 0.12 0.00 -1.00 0.00 0.00 57.85 57.41 1wpg n ARG 143 Cb 0.13 -1.69 0.24 0.00 -1.05 0.00 0.00 32.46 30.09 1wpg n ARG 143 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1wpg n ASP 144 N -1.86 3.30 -4.81 2.89 10.43 -0.29 -0.81 116.55 125.39 1wpg n ASP 144 Ca 0.02 -1.97 -0.34 0.00 2.57 0.00 0.00 54.79 55.07 1wpg n ASP 144 Cb 0.13 -0.25 -0.07 0.00 1.84 0.00 0.00 41.12 42.77 1wpg n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1wpg s ILE 145 N -1.49 4.36 0.18 0.53 1.01 -0.69 -4.96 121.20 120.15 1wpg s ILE 145 Ca 0.39 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1wpg s ILE 145 Cb 0.22 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1wpg s ILE 145 CO 0.31 -0.26 0.05 0.68 0.00 0.00 0.00 174.94 175.72 1wpg s VAL 146 N -2.10 0.45 0.27 2.92 -7.23 -1.26 -4.05 120.40 109.41 1wpg s VAL 146 Ca 0.60 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1wpg s VAL 146 Cb -0.10 -2.25 -0.11 0.00 0.56 0.00 0.00 36.38 34.48 1wpg s VAL 146 CO 0.14 -0.33 1.58 -2.84 -0.31 0.00 0.00 175.10 173.35 1wpg s PRO 147 N -3.99 4.15 0.00 4.82 0.02 -1.26 -2.68 135.00 136.05 1wpg s PRO 147 Ca 0.28 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1wpg s PRO 147 Cb 0.07 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1wpg s PRO 147 CO 0.06 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1wpg n GLY 148 N 2.41 3.10 3.87 0.52 0.00 0.28 -4.97 105.19 110.40 1wpg n GLY 148 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1wpg n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wpg s ASP 149 N -0.71 6.47 -0.15 1.61 1.47 -1.09 -4.65 116.67 119.62 1wpg s ASP 149 Ca 0.00 1.23 -0.28 0.00 1.18 0.00 0.00 52.55 54.68 1wpg s ASP 149 Cb 0.00 -2.37 -0.01 0.00 -0.34 0.00 0.00 42.92 40.20 1wpg s ASP 149 CO 0.00 -0.52 0.94 -0.63 0.68 0.00 0.00 175.17 175.64 1wpg s ILE 150 N -2.57 4.81 0.10 2.11 1.09 -1.26 -1.89 121.20 123.59 1wpg s ILE 150 Ca 0.53 1.86 0.09 0.00 -1.10 0.00 0.00 60.65 62.04 1wpg s ILE 150 Cb -0.10 -4.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 1wpg s ILE 150 CO 0.36 -0.02 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.26 1wpg s VAL 151 N 2.28 2.50 -0.06 2.92 1.01 0.92 -1.09 120.40 128.87 1wpg s VAL 151 Ca 0.43 -1.53 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1wpg s VAL 151 Cb -0.17 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1wpg s VAL 151 CO 0.13 0.18 -0.24 -0.70 0.00 0.00 0.00 175.10 174.47 1wpg s GLU 152 N -1.85 2.47 0.07 2.72 2.12 -0.44 -0.33 118.70 123.45 1wpg s GLU 152 Ca 0.15 -0.85 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1wpg s GLU 152 Cb -0.10 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 1wpg s GLU 152 CO 0.06 0.34 -0.14 0.14 -0.54 0.00 0.00 175.26 175.12 1wpg s VAL 153 N -0.07 1.06 0.16 3.70 -7.23 -0.64 -4.30 120.40 113.08 1wpg s VAL 153 Ca -0.05 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1wpg s VAL 153 Cb -0.14 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1wpg s VAL 153 CO 0.04 -0.23 0.21 0.00 -0.31 0.00 0.00 175.10 174.81 1wpg s ALA 154 N -1.27 0.35 -0.05 1.32 0.00 -1.26 -1.27 121.76 119.56 1wpg s ALA 154 Ca -0.03 -1.13 -0.40 0.00 0.00 0.00 0.00 51.96 50.40 1wpg s ALA 154 Cb -0.10 0.92 -0.19 0.00 0.00 0.00 0.00 23.12 23.75 1wpg s ALA 154 CO 0.02 -0.61 1.10 1.55 0.00 0.00 0.00 175.76 177.82 1wpg n VAL 155 N -0.19 0.00 0.00 0.00 3.14 -0.39 -0.91 118.33 119.98 1wpg n VAL 155 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1wpg n VAL 155 Cb 0.63 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1wpg n VAL 155 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wpg n GLY 156 N 1.73 2.78 3.79 7.55 0.00 0.35 -5.01 105.19 116.38 1wpg n GLY 156 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1wpg n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpg s ASP 157 N -1.37 6.60 -0.15 1.61 1.01 -0.08 -4.81 116.67 119.47 1wpg s ASP 157 Ca 0.00 1.95 -0.15 0.00 0.71 0.00 0.00 52.55 55.06 1wpg s ASP 157 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1wpg s ASP 157 CO 0.00 -0.60 0.34 -0.54 0.21 0.00 0.00 175.17 174.58 1wpg s LYS 158 N -2.88 4.27 0.09 8.23 1.02 -1.26 -1.17 119.74 128.04 1wpg s LYS 158 Ca 0.62 0.18 -0.31 0.00 0.02 0.00 0.00 55.97 56.48 1wpg s LYS 158 Cb -0.18 -3.43 -0.08 0.00 -0.52 0.00 0.00 37.83 33.61 1wpg s LYS 158 CO 0.23 0.20 1.52 0.08 -0.92 0.00 0.00 175.35 176.46 1wpg s VAL 159 N 0.55 3.14 -0.38 3.17 1.01 0.83 -4.81 120.40 123.91 1wpg s VAL 159 Ca 0.19 0.71 0.21 0.00 0.00 0.00 0.00 61.98 63.09 1wpg s VAL 159 Cb -0.13 -3.45 0.27 0.00 0.00 0.00 0.00 36.38 33.06 1wpg s VAL 159 CO 0.05 0.03 1.55 1.55 0.00 0.00 0.00 175.10 178.28 1wpg h PRO 160 N 7.48 0.00 -2.84 2.72 0.13 -1.89 0.06 132.00 137.66 1wpg h PRO 160 Ca -0.42 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1wpg h PRO 160 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1wpg h PRO 160 CO 0.90 0.10 0.35 0.00 -0.23 0.00 0.00 178.00 179.12 1wpg s ALA 161 N -3.17 -1.10 -0.32 -0.56 0.00 -1.26 -4.85 121.76 110.50 1wpg s ALA 161 Ca 0.06 -0.49 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 1wpg s ALA 161 Cb 0.06 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1wpg s ALA 161 CO 0.69 -1.02 1.04 -0.51 0.00 0.00 0.00 175.76 175.96 1wpg s ASP 162 N -3.09 6.89 -0.04 0.00 1.11 -0.93 -2.93 116.67 117.68 1wpg s ASP 162 Ca 0.15 0.98 0.07 0.00 0.18 0.00 0.00 52.55 53.93 1wpg s ASP 162 Cb -0.04 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 1wpg s ASP 162 CO 0.08 -0.86 -0.24 -0.63 1.18 0.00 0.00 175.17 174.70 1wpg s ILE 163 N 3.59 1.95 -0.25 0.77 1.01 0.27 -0.57 121.20 127.96 1wpg s ILE 163 Ca 0.44 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 1wpg s ILE 163 Cb -0.12 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1wpg s ILE 163 CO 0.15 0.55 0.66 -0.60 0.00 0.00 0.00 174.94 175.70 1wpg s ARG 164 N -0.33 4.12 0.16 2.79 3.00 0.06 -0.22 118.95 128.52 1wpg s ARG 164 Ca 0.02 0.61 -0.30 0.00 -1.00 0.00 0.00 55.73 55.06 1wpg s ARG 164 Cb -0.12 -3.65 -0.08 0.00 0.00 0.00 0.00 34.95 31.10 1wpg s ARG 164 CO 0.01 -0.43 1.32 0.42 0.00 0.00 0.00 175.30 176.62 1wpg s ILE 165 N 2.56 3.32 -0.16 4.11 1.01 -0.01 -0.82 121.20 131.22 1wpg s ILE 165 Ca 0.27 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 1wpg s ILE 165 Cb -0.15 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 1wpg s ILE 165 CO 0.08 0.13 -0.18 0.18 0.00 0.00 0.00 174.94 175.15 1wpg n LEU 166 N 3.14 1.93 -3.71 2.97 4.77 0.24 -4.78 117.00 121.56 1wpg n LEU 166 Ca 0.08 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1wpg n LEU 166 Cb 0.43 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1wpg n LEU 166 CO 0.58 0.52 -0.09 -0.55 -1.33 0.00 0.00 177.39 176.52 1wpg s SER 167 N -6.08 -0.23 -0.39 -1.43 0.15 -0.78 -4.95 113.70 99.99 1wpg s SER 167 Ca -0.22 0.60 -0.15 0.00 0.70 0.00 0.00 55.95 56.88 1wpg s SER 167 Cb 0.07 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1wpg s SER 167 CO 0.32 -0.18 0.34 -0.63 1.20 0.00 0.00 173.24 174.29 1wpg s ILE 168 N 1.45 5.19 0.14 6.45 1.01 -1.26 -0.06 121.20 134.12 1wpg s ILE 168 Ca -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1wpg s ILE 168 Cb -0.10 -3.90 -0.16 0.00 0.01 0.00 0.00 42.46 38.30 1wpg s ILE 168 CO -0.09 -0.24 1.34 0.11 0.00 0.00 0.00 174.94 176.05 1wpg h LYS 169 N 8.60 0.36 -7.72 2.79 1.79 -1.45 -3.45 116.57 117.49 1wpg h LYS 169 Ca -0.28 -0.37 -0.45 0.00 -2.18 0.00 0.00 60.65 57.36 1wpg h LYS 169 Cb 1.13 0.10 0.15 0.00 -1.58 0.00 0.00 32.23 32.03 1wpg h LYS 169 CO 0.72 1.05 0.39 -1.54 -1.08 0.00 0.00 179.45 178.99 1wpg s SER 170 N -7.03 3.41 0.26 0.86 1.04 -1.09 -4.96 113.70 106.19 1wpg s SER 170 Ca -0.05 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1wpg s SER 170 Cb 0.09 -0.39 0.34 0.00 0.10 0.00 0.00 66.02 66.16 1wpg s SER 170 CO 0.85 -2.54 1.70 0.74 0.98 0.00 0.00 173.24 174.97 1wpg h THR 171 N -1.45 1.26 -3.49 2.02 2.02 -1.91 -3.45 112.91 107.91 1wpg h THR 171 Ca -0.44 -1.26 -0.10 0.00 0.77 0.00 0.00 66.41 65.38 1wpg h THR 171 Cb 1.25 1.27 -0.17 0.00 -1.74 0.00 0.00 68.15 68.76 1wpg h THR 171 CO 0.41 0.41 -0.34 0.42 0.37 0.00 0.00 175.52 176.80 1wpg s THR 172 N -4.57 0.10 -0.20 3.16 -4.23 -1.26 -4.74 115.64 103.89 1wpg s THR 172 Ca -0.08 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1wpg s THR 172 Cb 0.14 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1wpg s THR 172 CO 0.81 -0.46 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.16 1wpg s LEU 173 N -2.15 2.97 -0.17 4.79 2.96 -1.26 -4.23 118.68 121.58 1wpg s LEU 173 Ca -0.04 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1wpg s LEU 173 Cb -0.00 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1wpg s LEU 173 CO -0.04 0.03 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.78 1wpg s ARG 174 N 1.21 3.32 0.03 1.98 0.52 -0.08 -1.57 118.95 124.36 1wpg s ARG 174 Ca 0.03 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1wpg s ARG 174 Cb -0.14 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1wpg s ARG 174 CO -0.01 -0.02 -0.23 0.08 0.02 0.00 0.00 175.30 175.15 1wpg s VAL 175 N 0.95 1.84 -0.44 3.52 1.01 0.23 -0.24 120.40 127.26 1wpg s VAL 175 Ca -0.02 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1wpg s VAL 175 Cb -0.15 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1wpg s VAL 175 CO -0.01 0.32 0.35 -0.62 0.00 0.00 0.00 175.10 175.14 1wpg s ASP 176 N -1.05 6.08 -0.33 3.32 2.15 -0.17 -0.21 116.67 126.45 1wpg s ASP 176 Ca 0.09 -1.19 0.09 0.00 0.43 0.00 0.00 52.55 51.96 1wpg s ASP 176 Cb -0.09 -2.16 0.61 0.00 -0.30 0.00 0.00 42.92 40.99 1wpg s ASP 176 CO 0.01 -0.57 1.67 0.00 -0.17 0.00 0.00 175.17 176.12 1wpg n GLN 177 N 5.16 2.52 0.18 4.34 6.02 -1.26 -2.66 117.38 131.68 1wpg n GLN 177 Ca -0.12 -3.07 0.18 0.00 -0.01 0.00 0.00 57.00 53.98 1wpg n GLN 177 Cb 0.45 -2.02 0.81 0.00 1.02 0.00 0.00 30.24 30.51 1wpg n GLN 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wpg h SER 178 N 1.48 0.00 0.84 1.08 4.64 -1.87 -0.13 113.55 119.59 1wpg h SER 178 Ca 0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1wpg h SER 178 Cb 2.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1wpg h SER 178 CO 0.66 0.00 -0.07 0.16 -0.87 0.00 0.00 176.83 176.71 1wpg h ILE 179 N 0.00 0.20 0.00 0.95 3.07 -1.88 0.62 117.51 120.47 1wpg h ILE 179 Ca 0.11 -0.62 -0.06 0.00 1.55 0.00 0.00 64.86 65.84 1wpg h ILE 179 Cb 0.63 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 1wpg h ILE 179 CO -0.00 0.07 -1.89 0.18 -1.05 0.00 0.00 178.15 175.45 1wpg n LEU 180 N -3.23 0.00 0.00 0.16 4.77 -0.14 -2.70 117.00 115.86 1wpg n LEU 180 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wpg n LEU 180 Cb 0.31 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1wpg n LEU 180 CO 0.28 0.08 -0.16 0.35 -1.33 0.00 0.00 177.39 176.62 1wpg n THR 181 N -2.23 0.00 0.00 -5.08 -2.24 -0.70 -4.40 114.28 99.63 1wpg n THR 181 Ca -0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1wpg n THR 181 Cb 0.58 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1wpg n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 182 N 1.28 3.06 3.75 3.38 0.00 0.22 -3.88 105.19 113.00 1wpg n GLY 182 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1wpg n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpg s GLU 183 N -0.20 4.59 0.10 1.61 0.41 -1.26 -4.86 118.70 119.08 1wpg s GLU 183 Ca 0.00 1.21 0.16 0.00 -0.41 0.00 0.00 54.97 55.94 1wpg s GLU 183 Cb 0.00 -3.33 -0.10 0.00 -1.78 0.00 0.00 34.13 28.92 1wpg s GLU 183 CO 0.00 0.37 0.93 0.66 -0.49 0.00 0.00 175.26 176.74 1wpg h SER 184 N 5.11 0.00 -2.41 -0.19 4.64 -1.95 -3.06 113.55 115.70 1wpg h SER 184 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.31 1wpg h SER 184 Cb 1.21 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.35 1wpg h SER 184 CO 0.69 0.56 0.90 0.52 -0.87 0.00 0.00 176.83 178.64 1wpg n VAL 185 N -2.94 0.04 -2.07 0.95 0.31 -1.26 -4.80 118.33 108.55 1wpg n VAL 185 Ca -0.08 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.85 1wpg n VAL 185 Cb 0.82 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 32.01 1wpg n VAL 185 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1wpg s SER 186 N 1.20 6.47 -0.11 4.52 0.01 -1.26 -4.75 113.70 119.77 1wpg s SER 186 Ca 0.78 2.67 -0.07 0.00 1.31 0.00 0.00 55.95 60.63 1wpg s SER 186 Cb -0.61 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 62.94 1wpg s SER 186 CO 0.36 -0.74 0.15 0.68 0.41 0.00 0.00 173.24 174.10 1wpg s VAL 187 N -1.22 5.48 -0.24 3.43 -7.23 0.70 -4.81 120.40 116.50 1wpg s VAL 187 Ca 0.54 0.24 -0.18 0.00 -1.81 0.00 0.00 61.98 60.78 1wpg s VAL 187 Cb -0.39 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 1wpg s VAL 187 CO 0.50 0.61 0.49 -0.63 -0.31 0.00 0.00 175.10 175.77 1wpg s ILE 188 N -1.01 5.10 0.39 -0.62 -1.09 -1.26 -0.60 121.20 122.10 1wpg s ILE 188 Ca 0.15 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.46 1wpg s ILE 188 Cb -0.12 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1wpg s ILE 188 CO 0.04 0.12 0.56 -0.54 -1.23 0.00 0.00 174.94 173.90 1wpg s LYS 189 N 2.07 3.08 0.22 2.79 -0.14 -0.61 -4.96 119.74 122.19 1wpg s LYS 189 Ca 0.21 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 1wpg s LYS 189 Cb -0.16 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1wpg s LYS 189 CO 0.09 -0.09 0.28 -2.39 -0.76 0.00 0.00 175.35 172.48 1wpg n HIS 190 N -1.84 -0.96 0.18 3.18 1.44 0.55 -4.55 115.22 113.22 1wpg n HIS 190 Ca 0.01 -1.54 0.02 0.00 -2.01 0.00 0.00 57.72 54.20 1wpg n HIS 190 Cb 0.58 0.32 0.02 0.00 0.12 0.00 0.00 29.99 31.03 1wpg n HIS 190 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1wpg n THR 191 N -0.37 0.08 -1.90 0.61 -2.24 -1.26 -3.83 114.28 105.36 1wpg n THR 191 Ca 0.01 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.93 1wpg n THR 191 Cb 0.37 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1wpg n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wpg s GLU 192 N -0.44 3.09 0.69 -0.78 2.02 -1.26 -4.67 118.70 117.36 1wpg s GLU 192 Ca 0.06 1.26 -0.13 0.00 0.02 0.00 0.00 54.97 56.18 1wpg s GLU 192 Cb 0.04 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.29 1wpg s GLU 192 CO 0.06 -1.00 1.09 -1.25 0.02 0.00 0.00 175.26 174.18 1wpg s PRO 193 N -4.15 2.68 -0.39 0.39 0.04 -1.26 -4.68 135.00 127.63 1wpg s PRO 193 Ca 0.64 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1wpg s PRO 193 Cb -0.18 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1wpg s PRO 193 CO 0.40 -1.32 0.14 0.08 0.04 0.00 0.00 177.00 176.34 1wpg s VAL 194 N -2.61 2.73 0.27 -0.36 1.01 -0.18 -5.00 120.40 116.26 1wpg s VAL 194 Ca 0.64 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1wpg s VAL 194 Cb -0.18 -2.94 0.25 0.00 0.00 0.00 0.00 36.38 33.51 1wpg s VAL 194 CO 0.47 -0.66 1.75 -0.65 0.00 0.00 0.00 175.10 176.01 1wpg h PRO 195 N 7.64 0.56 -5.95 2.72 0.11 -1.85 -3.26 132.00 131.98 1wpg h PRO 195 Ca -0.07 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 65.37 1wpg h PRO 195 Cb 1.02 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1wpg h PRO 195 CO 0.61 0.37 1.46 -3.47 -0.21 0.00 0.00 178.00 176.76 1wpg n ASP 196 N -4.90 2.41 0.13 -2.05 2.03 -1.26 -4.83 116.55 108.07 1wpg n ASP 196 Ca 0.18 0.31 0.11 0.00 0.52 0.00 0.00 54.79 55.91 1wpg n ASP 196 Cb 0.49 -1.35 0.50 0.00 -0.72 0.00 0.00 41.12 40.03 1wpg n ASP 196 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpg n PRO 197 N 8.40 0.16 -0.31 -0.67 -0.04 -1.26 -2.35 135.00 138.94 1wpg n PRO 197 Ca 0.39 0.48 0.07 0.00 -0.04 0.00 0.00 63.50 64.40 1wpg n PRO 197 Cb 0.30 -1.87 0.20 0.00 -0.04 0.00 0.00 33.50 32.09 1wpg n PRO 197 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wpg n ARG 198 N -2.19 2.78 -1.65 0.54 1.74 -1.26 -5.04 116.66 111.59 1wpg n ARG 198 Ca 0.01 -2.50 -0.46 0.00 -0.77 0.00 0.00 57.85 54.13 1wpg n ARG 198 Cb 0.16 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1wpg n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpg n ALA 199 N -0.26 0.67 -1.92 7.54 0.00 -0.99 -4.98 120.51 120.56 1wpg n ALA 199 Ca 0.17 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.76 1wpg n ALA 199 Cb 0.69 -2.23 0.07 0.00 0.00 0.00 0.00 19.45 17.98 1wpg n ALA 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wpg s VAL 200 N 0.16 2.54 0.32 0.00 -7.23 -1.26 -4.86 120.40 110.06 1wpg s VAL 200 Ca 0.72 0.03 0.08 0.00 -1.81 0.00 0.00 61.98 61.01 1wpg s VAL 200 Cb -0.71 -3.14 0.31 0.00 0.56 0.00 0.00 36.38 33.39 1wpg s VAL 200 CO 0.47 -0.18 1.76 0.78 -0.31 0.00 0.00 175.10 177.63 1wpg h ASN 201 N -0.77 0.72 0.48 4.85 2.35 -1.94 0.11 115.58 121.39 1wpg h ASN 201 Ca -0.45 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1wpg h ASN 201 Cb 1.30 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1wpg h ASN 201 CO 0.64 0.19 0.00 0.00 -1.65 0.00 0.00 177.43 176.61 1wpg n GLN 202 N -4.80 0.04 0.03 0.81 0.00 -1.26 -1.82 117.38 110.37 1wpg n GLN 202 Ca 0.25 0.32 0.11 0.00 0.00 0.00 0.00 57.00 57.68 1wpg n GLN 202 Cb 0.66 -1.58 -0.09 0.00 0.00 0.00 0.00 30.24 29.23 1wpg n GLN 202 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wpg n ASP 203 N -1.66 0.38 -3.65 2.61 8.00 0.38 -4.64 116.55 117.98 1wpg n ASP 203 Ca 0.03 0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 1wpg n ASP 203 Cb 0.16 1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 42.57 1wpg n ASP 203 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wpg n LYS 204 N -2.32 3.27 0.00 -1.24 5.02 -0.76 -4.71 118.16 117.43 1wpg n LYS 204 Ca -0.02 -2.73 0.10 0.00 -2.02 0.00 0.00 58.31 53.64 1wpg n LYS 204 Cb 0.54 -3.08 0.58 0.00 -0.02 0.00 0.00 35.03 33.05 1wpg n LYS 204 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wpg n LYS 205 N 4.91 0.70 -0.17 1.97 5.02 -1.26 -2.18 118.16 127.15 1wpg n LYS 205 Ca 0.56 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.90 1wpg n LYS 205 Cb 0.34 -1.44 0.14 0.00 -0.02 0.00 0.00 35.03 34.06 1wpg n LYS 205 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1wpg n ASN 206 N -0.94 2.87 -4.51 4.39 6.94 -1.25 -0.33 115.26 122.43 1wpg n ASN 206 Ca 0.15 -2.11 -0.25 0.00 -0.02 0.00 0.00 54.58 52.34 1wpg n ASN 206 Cb 0.07 -0.23 -0.10 0.00 -2.36 0.00 0.00 39.78 37.16 1wpg n ASN 206 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1wpg s MET 207 N -1.20 1.82 -0.06 -3.83 -1.94 -0.93 -0.83 119.30 112.33 1wpg s MET 207 Ca 0.22 -1.51 0.04 0.00 -1.71 0.00 0.00 55.69 52.72 1wpg s MET 207 Cb 0.13 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 35.01 1wpg s MET 207 CO 0.13 0.38 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.84 1wpg s LEU 208 N -3.09 1.87 -0.09 -0.03 1.43 0.70 -4.89 118.68 114.57 1wpg s LEU 208 Ca 0.26 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1wpg s LEU 208 Cb -0.07 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1wpg s LEU 208 CO 0.14 0.12 -0.02 -0.36 0.23 0.00 0.00 176.35 176.46 1wpg s PHE 209 N 0.28 3.09 0.17 0.29 0.40 -1.26 -0.56 117.98 120.39 1wpg s PHE 209 Ca -0.10 0.08 -0.33 0.00 -0.60 0.00 0.00 56.93 55.97 1wpg s PHE 209 Cb -0.14 -1.80 -0.14 0.00 0.51 0.00 0.00 43.02 41.44 1wpg s PHE 209 CO 0.04 0.35 1.51 0.45 0.70 0.00 0.00 175.22 178.27 1wpg n SER 210 N 2.41 2.87 0.00 1.36 2.88 -1.15 -1.80 113.62 120.19 1wpg n SER 210 Ca -0.18 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1wpg n SER 210 Cb 0.53 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1wpg n SER 210 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wpg n GLY 211 N 3.01 0.90 3.95 0.46 0.00 0.01 -4.53 105.19 108.98 1wpg n GLY 211 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1wpg n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wpg s THR 212 N -2.45 2.44 0.02 2.61 2.01 -0.75 -4.82 115.64 114.70 1wpg s THR 212 Ca 0.00 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1wpg s THR 212 Cb 0.00 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1wpg s THR 212 CO 0.00 0.00 -0.04 0.54 -0.69 0.00 0.00 174.62 174.43 1wpg s ASN 213 N -4.49 0.32 -0.14 3.53 2.20 -1.09 -0.12 114.94 115.16 1wpg s ASN 213 Ca 0.59 -0.52 -0.25 0.00 -0.94 0.00 0.00 52.86 51.73 1wpg s ASN 213 Cb -0.10 0.10 -0.02 0.00 -2.00 0.00 0.00 41.25 39.22 1wpg s ASN 213 CO 0.42 -0.30 0.83 -0.63 -2.94 0.00 0.00 177.10 174.48 1wpg s ILE 214 N -1.54 4.90 -0.11 0.54 1.09 -0.32 -1.00 121.20 124.76 1wpg s ILE 214 Ca -0.14 1.65 0.16 0.00 -1.10 0.00 0.00 60.65 61.22 1wpg s ILE 214 Cb -0.09 -4.14 -0.16 0.00 -1.06 0.00 0.00 42.46 37.01 1wpg s ILE 214 CO -0.01 0.07 0.78 0.00 -0.10 0.00 0.00 174.94 175.68 1wpg n ALA 215 N 4.89 1.86 -3.59 9.38 0.00 0.67 -0.50 120.51 133.22 1wpg n ALA 215 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 1wpg n ALA 215 Cb 0.49 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 1wpg n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg s ALA 216 N -2.87 -1.91 0.00 0.00 0.00 -0.92 -4.71 121.76 111.35 1wpg s ALA 216 Ca -0.03 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1wpg s ALA 216 Cb 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1wpg s ALA 216 CO 0.81 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1wpg n GLY 217 N 1.43 -2.43 3.20 0.00 0.00 -1.26 -0.90 105.19 105.24 1wpg n GLY 217 Ca -0.13 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 1wpg n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wpg s LYS 218 N -0.35 0.36 0.12 1.61 2.20 -1.26 -1.26 119.74 121.16 1wpg s LYS 218 Ca 0.00 0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 56.03 1wpg s LYS 218 Cb 0.00 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1wpg s LYS 218 CO 0.00 -0.09 0.28 0.00 -0.36 0.00 0.00 175.35 175.19 1wpg s ALA 219 N 0.58 -0.45 0.01 3.13 0.00 -0.40 -1.03 121.76 123.59 1wpg s ALA 219 Ca -0.03 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1wpg s ALA 219 Cb -0.05 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1wpg s ALA 219 CO -0.03 -0.58 -0.20 -1.17 0.00 0.00 0.00 175.76 173.77 1wpg s LEU 220 N -2.86 2.44 0.38 0.00 2.96 0.91 -1.62 118.68 120.89 1wpg s LEU 220 Ca 0.06 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1wpg s LEU 220 Cb 0.03 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.31 1wpg s LEU 220 CO -0.09 0.29 0.63 -0.83 -1.32 0.00 0.00 176.35 175.03 1wpg s GLY 221 N -1.05 1.09 -0.07 7.98 0.00 0.55 -0.59 107.32 115.23 1wpg s GLY 221 Ca 0.12 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1wpg s GLY 221 CO 0.02 -0.72 -0.18 -1.50 0.00 0.00 0.00 173.10 170.72 1wpg s ILE 222 N -2.53 1.58 0.07 0.90 2.07 0.00 -0.06 121.20 123.24 1wpg s ILE 222 Ca 0.24 -0.76 -0.31 0.00 -1.41 0.00 0.00 60.65 58.42 1wpg s ILE 222 Cb -0.03 -1.38 -0.08 0.00 0.13 0.00 0.00 42.46 41.10 1wpg s ILE 222 CO 0.18 0.45 1.58 -0.69 -1.91 0.00 0.00 174.94 174.54 1wpg s VAL 223 N 0.36 3.13 -0.24 4.00 1.01 -0.79 -0.77 120.40 127.11 1wpg s VAL 223 Ca -0.13 0.63 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 1wpg s VAL 223 Cb -0.16 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.65 1wpg s VAL 223 CO 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 175.10 175.08 1wpg n ALA 224 N 5.22 1.08 -2.54 5.51 0.00 0.26 -0.56 120.51 129.49 1wpg n ALA 224 Ca 0.15 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.63 1wpg n ALA 224 Cb 0.41 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 1wpg n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wpg s THR 225 N -2.48 0.15 0.25 0.00 -4.23 -1.12 -2.09 115.64 106.12 1wpg s THR 225 Ca -0.33 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 1wpg s THR 225 Cb 0.10 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 1wpg s THR 225 CO 0.57 -0.68 0.17 0.35 -0.54 0.00 0.00 174.62 174.50 1wpg n THR 226 N 0.16 0.00 -1.06 3.99 -2.24 -1.26 -2.20 114.28 111.66 1wpg n THR 226 Ca -0.16 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.92 1wpg n THR 226 Cb 0.61 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1wpg n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 227 N -0.28 2.88 0.10 3.38 0.00 -1.26 -1.95 105.19 108.05 1wpg n GLY 227 Ca 0.03 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1wpg n GLY 227 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wpg n VAL 228 N 0.00 0.70 0.73 1.61 0.24 -1.26 -3.53 118.33 116.82 1wpg n VAL 228 Ca 0.00 0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1wpg n VAL 228 Cb 0.00 -0.90 0.03 0.00 -1.47 0.00 0.00 33.84 31.50 1wpg n VAL 228 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wpg n SER 229 N -2.13 2.88 -4.66 -1.34 7.64 -0.82 -4.01 113.62 111.18 1wpg n SER 229 Ca 0.04 -2.19 -0.27 0.00 1.01 0.00 0.00 58.87 57.46 1wpg n SER 229 Cb 0.30 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 1wpg n SER 229 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wpg s THR 230 N -0.52 2.05 0.11 0.44 -4.23 -1.23 -4.58 115.64 107.67 1wpg s THR 230 Ca 0.07 -1.91 -0.22 0.00 -1.18 0.00 0.00 61.69 58.46 1wpg s THR 230 Cb 0.06 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.84 1wpg s THR 230 CO 0.01 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.49 1wpg h GLU 231 N 1.64 -0.00 0.00 3.99 4.39 -1.92 -0.53 114.58 122.16 1wpg h GLU 231 Ca -0.44 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 1wpg h GLU 231 Cb 1.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1wpg h GLU 231 CO 0.77 -0.00 -0.11 0.97 -1.16 0.00 0.00 179.01 179.48 1wpg h ILE 232 N -0.00 0.95 -0.20 3.13 2.10 -1.93 -0.90 117.51 120.65 1wpg h ILE 232 Ca 0.04 -0.41 -0.07 0.00 1.08 0.00 0.00 64.86 65.50 1wpg h ILE 232 Cb 0.06 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.01 1wpg h ILE 232 CO -0.09 0.11 -0.20 1.23 -1.08 0.00 0.00 178.15 178.13 1wpg h GLY 233 N 0.41 0.38 1.37 8.18 0.00 -1.36 0.16 103.07 112.22 1wpg h GLY 233 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1wpg h GLY 233 CO 0.01 0.26 -0.22 0.50 0.00 0.00 0.00 176.54 177.09 1wpg h LYS 234 N 0.33 0.72 -0.39 4.80 1.57 0.23 0.58 116.57 124.41 1wpg h LYS 234 Ca 0.06 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1wpg h LYS 234 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1wpg h LYS 234 CO 0.04 0.88 0.03 0.82 -0.57 0.00 0.00 179.45 180.65 1wpg h ILE 235 N 0.63 1.25 -0.88 1.86 2.04 -0.92 -2.11 117.51 119.38 1wpg h ILE 235 Ca 0.09 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1wpg h ILE 235 Cb 0.72 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1wpg h ILE 235 CO 0.06 0.31 0.52 -0.09 0.00 0.00 0.00 178.15 178.95 1wpg h ARG 236 N 0.49 1.19 -0.33 2.37 1.12 -0.53 -2.13 114.38 116.55 1wpg h ARG 236 Ca 0.11 -0.11 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1wpg h ARG 236 Cb 0.42 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1wpg h ARG 236 CO 0.01 0.84 0.10 -0.44 -3.11 0.00 0.00 179.97 177.37 1wpg h ASP 237 N 1.21 0.49 -0.72 -3.80 3.45 -0.69 0.79 116.42 117.15 1wpg h ASP 237 Ca 0.31 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1wpg h ASP 237 Cb -0.04 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 38.57 1wpg h ASP 237 CO -0.06 0.58 0.41 1.56 -1.57 0.00 0.00 179.24 180.16 1wpg h GLN 238 N 0.39 1.00 0.00 3.56 4.20 -1.21 -1.12 115.11 121.92 1wpg h GLN 238 Ca 0.11 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1wpg h GLN 238 Cb 0.26 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1wpg h GLN 238 CO -0.00 0.72 -0.44 0.52 -0.67 0.00 0.00 178.83 178.97 1wpg h MET 239 N 1.01 0.00 -0.43 1.46 2.86 -1.15 -3.08 114.93 115.60 1wpg h MET 239 Ca 0.26 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1wpg h MET 239 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1wpg h MET 239 CO -0.04 0.44 0.18 0.00 1.06 0.00 0.00 176.91 178.54 1wpg h ALA 240 N 1.56 0.56 -0.42 6.32 0.00 0.41 -3.35 119.26 124.34 1wpg h ALA 240 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1wpg h ALA 240 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1wpg h ALA 240 CO 0.06 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.80 1wpg s ALA 241 N -5.58 1.03 0.00 0.00 0.00 -0.87 -4.82 121.76 111.52 1wpg s ALA 241 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1wpg s ALA 241 Cb 0.11 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1wpg s ALA 241 CO 0.76 -5.74 0.00 0.25 0.00 0.00 0.00 175.76 171.03 1wpg n THR 242 N 8.49 0.00 -3.25 0.00 -2.24 -1.26 -4.95 114.28 111.07 1wpg n THR 242 Ca 0.44 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 62.07 1wpg n THR 242 Cb 0.45 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.75 1wpg n THR 242 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wpg n GLU 243 N 0.00 -2.32 -1.68 -0.78 2.13 -1.26 -4.91 120.64 111.82 1wpg n GLU 243 Ca 0.00 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.27 1wpg n GLU 243 Cb 0.00 -5.83 0.00 0.00 0.27 0.00 0.00 31.44 25.88 1wpg n GLU 243 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1wpg n GLN 244 N -3.24 1.88 -0.64 5.31 7.27 -1.26 -4.95 117.38 121.75 1wpg n GLN 244 Ca -0.07 0.67 -0.31 0.00 0.07 0.00 0.00 57.00 57.36 1wpg n GLN 244 Cb 0.62 -2.28 0.19 0.00 2.41 0.00 0.00 30.24 31.18 1wpg n GLN 244 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1wpg n ASP 245 N 0.52 -0.91 -4.80 1.69 8.00 -1.26 -4.98 116.55 114.81 1wpg n ASP 245 Ca 0.06 0.20 -0.38 0.00 0.71 0.00 0.00 54.79 55.38 1wpg n ASP 245 Cb 0.38 -1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 1wpg n ASP 245 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wpg s LYS 246 N -4.28 4.42 0.73 -1.24 1.02 -1.26 -5.03 119.74 114.09 1wpg s LYS 246 Ca 0.65 1.04 -0.15 0.00 0.02 0.00 0.00 55.97 57.52 1wpg s LYS 246 Cb -0.22 -3.03 0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1wpg s LYS 246 CO 0.62 0.46 1.23 0.95 -0.92 0.00 0.00 175.35 177.70 1wpg s THR 247 N -1.37 2.14 0.45 2.17 -4.23 -1.26 -4.71 115.64 108.82 1wpg s THR 247 Ca 0.41 0.07 0.19 0.00 -1.18 0.00 0.00 61.69 61.17 1wpg s THR 247 Cb -0.20 -2.72 0.37 0.00 1.34 0.00 0.00 72.50 71.30 1wpg s THR 247 CO 0.23 -0.03 1.92 1.55 -0.54 0.00 0.00 174.62 177.75 1wpg h PRO 248 N -0.21 0.31 -0.24 3.99 0.13 -1.95 0.87 132.00 134.90 1wpg h PRO 248 Ca -0.48 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 1wpg h PRO 248 Cb 1.31 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wpg h PRO 248 CO 0.50 0.20 -0.42 1.25 -0.23 0.00 0.00 178.00 179.30 1wpg h LEU 249 N 0.32 0.63 -0.60 1.56 5.85 -1.89 -2.10 115.31 119.07 1wpg h LEU 249 Ca 0.36 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1wpg h LEU 249 Cb 0.97 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1wpg h LEU 249 CO -0.10 0.97 -0.11 1.56 -0.34 0.00 0.00 178.44 180.42 1wpg h GLN 250 N 0.48 0.99 -0.54 1.25 4.20 -1.20 0.61 115.11 120.91 1wpg h GLN 250 Ca 0.04 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 1wpg h GLN 250 Cb 0.93 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1wpg h GLN 250 CO 0.08 1.04 0.09 1.96 -0.67 0.00 0.00 178.83 181.33 1wpg h GLN 251 N 0.89 0.86 -0.46 1.46 4.20 -1.17 0.16 115.11 121.05 1wpg h GLN 251 Ca 0.14 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1wpg h GLN 251 Cb 0.67 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1wpg h GLN 251 CO 0.05 0.80 -0.20 0.87 -0.67 0.00 0.00 178.83 179.68 1wpg h LYS 252 N 0.82 0.93 -0.13 1.46 1.79 -0.96 -0.99 116.57 119.49 1wpg h LYS 252 Ca 0.17 -0.38 -0.18 0.00 -2.18 0.00 0.00 60.65 58.08 1wpg h LYS 252 Cb 0.36 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1wpg h LYS 252 CO 0.01 1.04 -0.67 -0.07 -1.08 0.00 0.00 179.45 178.68 1wpg h LEU 253 N 0.81 0.60 -0.69 2.94 4.07 -0.34 -1.88 115.31 120.82 1wpg h LEU 253 Ca 0.11 -0.36 -0.14 0.00 0.08 0.00 0.00 57.88 57.57 1wpg h LEU 253 Cb 0.76 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1wpg h LEU 253 CO 0.06 1.10 -0.48 0.44 -1.08 0.00 0.00 178.44 178.48 1wpg h ASP 254 N 0.37 0.47 -0.16 -0.43 3.32 -0.62 -2.18 116.42 117.19 1wpg h ASP 254 Ca -0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1wpg h ASP 254 Cb 1.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1wpg h ASP 254 CO 0.12 0.88 0.06 -0.08 -1.72 0.00 0.00 179.24 178.49 1wpg h GLU 255 N 0.35 0.25 -0.77 3.56 4.81 -1.09 -1.19 114.58 120.49 1wpg h GLU 255 Ca 0.02 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1wpg h GLU 255 Cb 0.97 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 1wpg h GLU 255 CO 0.08 0.35 0.41 0.35 -0.73 0.00 0.00 179.01 179.48 1wpg h PHE 256 N 0.09 0.74 -0.58 0.92 3.57 -1.20 -0.74 116.94 119.74 1wpg h PHE 256 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1wpg h PHE 256 Cb 0.20 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1wpg h PHE 256 CO -0.01 0.28 0.13 0.78 -2.23 0.00 0.00 178.31 177.26 1wpg h GLY 257 N 0.69 1.01 1.13 2.40 0.00 -1.03 0.19 103.07 107.45 1wpg h GLY 257 Ca 0.38 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1wpg h GLY 257 CO -0.26 0.60 0.19 0.83 0.00 0.00 0.00 176.54 177.89 1wpg h GLU 258 N 0.84 1.08 -0.20 4.80 5.08 -0.36 -2.12 114.58 123.71 1wpg h GLU 258 Ca 0.18 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1wpg h GLU 258 Cb 0.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wpg h GLU 258 CO 0.00 0.94 -0.49 1.96 -1.00 0.00 0.00 179.01 180.43 1wpg h GLN 259 N 1.03 0.68 -0.33 2.33 1.08 -0.96 -3.23 115.11 115.70 1wpg h GLN 259 Ca 0.22 -0.47 0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1wpg h GLN 259 Cb 0.33 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 1wpg h GLN 259 CO -0.00 1.09 0.11 1.25 -0.95 0.00 0.00 178.83 180.32 1wpg h LEU 260 N 0.37 0.10 -2.02 1.46 5.85 -0.45 -1.35 115.31 119.28 1wpg h LEU 260 Ca -0.01 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1wpg h LEU 260 Cb 1.10 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1wpg h LEU 260 CO 0.11 0.09 0.13 0.77 -0.34 0.00 0.00 178.44 179.20 1wpg h SER 261 N 0.24 0.00 0.13 1.25 4.64 -1.45 -0.82 113.55 117.55 1wpg h SER 261 Ca 0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.18 1wpg h SER 261 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1wpg h SER 261 CO -0.16 0.00 -1.19 0.11 -0.87 0.00 0.00 176.83 174.71 1wpg h LYS 262 N 0.00 0.62 -0.36 4.77 1.57 -1.32 -2.87 116.57 118.98 1wpg h LYS 262 Ca 0.08 -0.79 -0.04 0.00 -1.87 0.00 0.00 60.65 58.04 1wpg h LYS 262 Cb 0.34 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1wpg h LYS 262 CO -0.00 1.35 0.08 0.28 -0.57 0.00 0.00 179.45 180.59 1wpg h VAL 263 N 0.29 1.23 0.02 0.50 2.07 -0.32 0.28 116.25 120.32 1wpg h VAL 263 Ca -0.17 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1wpg h VAL 263 Cb 1.86 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1wpg h VAL 263 CO 0.23 0.26 -0.12 0.40 0.02 0.00 0.00 177.57 178.36 1wpg h ILE 264 N 0.43 0.70 -0.74 4.57 2.04 -1.28 -0.14 117.51 123.09 1wpg h ILE 264 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1wpg h ILE 264 Cb 0.31 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1wpg h ILE 264 CO 0.00 0.00 0.44 0.28 0.00 0.00 0.00 178.15 178.87 1wpg h SER 265 N -0.21 0.66 -0.70 1.72 0.02 -1.38 0.20 113.55 113.85 1wpg h SER 265 Ca 0.04 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1wpg h SER 265 Cb 0.26 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1wpg h SER 265 CO -0.11 0.42 0.46 0.25 -1.14 0.00 0.00 176.83 176.72 1wpg h LEU 266 N 0.79 0.59 0.03 5.07 7.12 -0.10 -1.35 115.31 127.46 1wpg h LEU 266 Ca 0.33 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.29 1wpg h LEU 266 Cb 0.19 -0.12 0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1wpg h LEU 266 CO -0.18 0.37 -0.23 0.40 -0.13 0.00 0.00 178.44 178.67 1wpg h ILE 267 N 0.67 1.67 -0.72 4.05 2.04 0.81 -2.31 117.51 123.72 1wpg h ILE 267 Ca 0.31 -2.25 0.15 0.00 1.00 0.00 0.00 64.86 64.07 1wpg h ILE 267 Cb 0.35 3.17 -0.04 0.00 -0.74 0.00 0.00 36.82 39.55 1wpg h ILE 267 CO -0.10 0.60 0.48 0.00 0.00 0.00 0.00 178.15 179.13 1wpg h VAL 269 N 0.33 1.39 -0.38 0.00 2.07 -1.32 -3.02 116.25 115.31 1wpg h VAL 269 Ca 0.35 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.13 1wpg h VAL 269 Cb 0.90 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1wpg h VAL 269 CO -0.09 0.81 0.10 0.00 0.02 0.00 0.00 177.57 178.40 1wpg h ALA 270 N 0.48 0.50 -0.35 1.67 0.00 -0.23 -2.48 119.26 118.85 1wpg h ALA 270 Ca -0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1wpg h ALA 270 Cb 1.90 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1wpg h ALA 270 CO 0.22 0.17 0.19 0.28 0.00 0.00 0.00 179.25 180.10 1wpg h VAL 271 N 0.47 1.11 -0.37 0.00 2.07 -0.47 -0.72 116.25 118.34 1wpg h VAL 271 Ca 0.12 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1wpg h VAL 271 Cb 0.29 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1wpg h VAL 271 CO -0.00 0.12 -0.04 -0.25 0.02 0.00 0.00 177.57 177.42 1wpg h TRP 272 N 0.48 0.64 0.00 1.57 7.01 -1.32 -2.47 115.95 121.86 1wpg h TRP 272 Ca 0.13 -0.08 -0.17 0.00 2.11 0.00 0.00 58.89 60.87 1wpg h TRP 272 Cb 0.01 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1wpg h TRP 272 CO 0.00 0.64 -0.80 -0.07 -2.79 0.00 0.00 178.44 175.42 1wpg h LEU 273 N 0.57 0.00 -1.74 0.65 3.38 -0.84 -3.03 115.31 114.30 1wpg h LEU 273 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wpg h LEU 273 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wpg h LEU 273 CO 0.02 0.80 0.00 0.40 0.09 0.00 0.00 178.44 179.75 1wpg h ILE 274 N 0.00 0.00 -2.11 1.22 1.08 -0.73 -3.26 117.51 113.71 1wpg h ILE 274 Ca -0.01 -0.25 -0.58 0.00 -0.39 0.00 0.00 64.86 63.63 1wpg h ILE 274 Cb 1.44 1.13 -0.41 0.00 -3.07 0.00 0.00 36.82 35.92 1wpg h ILE 274 CO 0.10 0.00 -0.83 0.59 -0.69 0.00 0.00 178.15 177.33 1wpg n ASN 275 N -2.81 2.21 -0.03 1.72 3.02 -1.15 -4.82 115.26 113.40 1wpg n ASN 275 Ca -0.00 -3.13 0.05 0.00 -0.03 0.00 0.00 54.58 51.47 1wpg n ASN 275 Cb 0.19 -0.65 -0.15 0.00 -0.61 0.00 0.00 39.78 38.56 1wpg n ASN 275 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wpg n ILE 276 N 1.02 0.29 0.28 2.41 5.41 -1.23 -4.33 119.36 123.22 1wpg n ILE 276 Ca 0.26 -0.52 0.04 0.00 1.00 0.00 0.00 62.75 63.53 1wpg n ILE 276 Cb 0.47 -0.08 0.17 0.00 -0.71 0.00 0.00 39.64 39.49 1wpg n ILE 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wpg n GLY 277 N 1.52 -0.73 0.00 7.39 0.00 -1.26 -2.61 105.19 109.50 1wpg n GLY 277 Ca -0.09 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1wpg n GLY 277 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wpg n HIS 278 N -1.46 0.00 -0.16 1.61 8.25 -1.26 -1.62 115.22 120.58 1wpg n HIS 278 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1wpg n HIS 278 Cb 0.09 -0.09 0.30 0.00 1.12 0.00 0.00 29.99 31.40 1wpg n HIS 278 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wpg n PHE 279 N -1.09 1.08 0.36 4.41 7.35 -1.07 -3.90 117.46 124.59 1wpg n PHE 279 Ca 0.09 -0.47 0.04 0.00 -0.76 0.00 0.00 57.45 56.35 1wpg n PHE 279 Cb 0.06 -0.11 0.03 0.00 0.35 0.00 0.00 39.48 39.81 1wpg n PHE 279 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1wpg n ASN 280 N 1.14 1.63 -3.88 -2.13 3.02 -0.64 -4.88 115.26 109.52 1wpg n ASN 280 Ca 0.22 -1.31 -0.30 0.00 -0.03 0.00 0.00 54.58 53.15 1wpg n ASN 280 Cb 0.66 0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.75 1wpg n ASN 280 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1wpg s ASP 281 N -0.78 4.32 0.00 6.41 1.47 -1.25 -4.98 116.67 121.85 1wpg s ASP 281 Ca 0.10 -2.26 0.03 0.00 1.18 0.00 0.00 52.55 51.60 1wpg s ASP 281 Cb 0.07 -1.34 0.21 0.00 -0.34 0.00 0.00 42.92 41.52 1wpg s ASP 281 CO 0.12 -0.34 0.97 -0.81 0.68 0.00 0.00 175.17 175.78 1wpg n PRO 282 N 4.08 0.82 -0.95 2.11 -0.04 -1.26 -4.84 135.00 134.92 1wpg n PRO 282 Ca 0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 1wpg n PRO 282 Cb 0.39 -1.07 0.14 0.00 -0.04 0.00 0.00 33.50 32.93 1wpg n PRO 282 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wpg n VAL 283 N -0.57 1.30 0.57 0.52 3.14 -1.26 -4.88 118.33 117.16 1wpg n VAL 283 Ca 0.03 -0.13 0.08 0.00 -2.96 0.00 0.00 64.34 61.35 1wpg n VAL 283 Cb 0.01 -1.13 0.35 0.00 -1.06 0.00 0.00 33.84 32.01 1wpg n VAL 283 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wpg n HIS 284 N -3.65 0.00 1.61 1.45 1.44 -1.26 -3.08 115.22 111.73 1wpg n HIS 284 Ca 0.13 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.85 1wpg n HIS 284 Cb 0.51 -0.50 0.04 0.00 0.12 0.00 0.00 29.99 30.16 1wpg n HIS 284 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wpg n GLY 285 N 0.19 -0.81 2.75 -1.39 0.00 -1.26 -3.57 105.19 101.09 1wpg n GLY 285 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1wpg n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wpg n GLY 286 N 0.32 1.70 3.56 -0.02 0.00 -1.18 -4.97 105.19 104.60 1wpg n GLY 286 Ca 0.01 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1wpg n GLY 286 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wpg n SER 287 N -0.56 -0.70 -0.14 1.61 2.88 -1.23 -4.75 113.62 110.72 1wpg n SER 287 Ca 0.03 0.23 0.04 0.00 -1.33 0.00 0.00 58.87 57.85 1wpg n SER 287 Cb 0.82 -1.35 0.34 0.00 -0.75 0.00 0.00 64.21 63.27 1wpg n SER 287 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1wpg h TRP 288 N -2.06 0.75 -0.04 0.66 4.06 -1.99 -2.79 115.95 114.55 1wpg h TRP 288 Ca -0.48 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.48 1wpg h TRP 288 Cb 1.29 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 29.20 1wpg h TRP 288 CO 0.41 0.44 -0.01 0.82 -3.56 0.00 0.00 178.44 176.53 1wpg h ILE 289 N 0.78 1.31 -0.33 1.49 2.04 -2.00 -2.18 117.51 118.62 1wpg h ILE 289 Ca 0.26 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1wpg h ILE 289 Cb 0.06 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1wpg h ILE 289 CO -0.07 0.25 0.22 -0.09 0.00 0.00 0.00 178.15 178.46 1wpg h ARG 290 N -0.29 0.44 -0.49 2.37 2.43 -1.88 -2.35 114.38 114.60 1wpg h ARG 290 Ca 0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1wpg h ARG 290 Cb 0.41 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1wpg h ARG 290 CO 0.00 0.30 0.07 0.78 -1.51 0.00 0.00 179.97 179.61 1wpg h GLY 291 N 0.44 0.89 0.60 2.80 0.00 -1.57 -3.01 103.07 103.22 1wpg h GLY 291 Ca 0.12 -0.60 0.06 0.00 0.00 0.00 0.00 47.33 46.91 1wpg h GLY 291 CO -0.03 0.56 0.23 0.00 0.00 0.00 0.00 176.54 177.30 1wpg h ALA 292 N 0.96 0.67 -0.71 3.60 0.00 -1.25 -0.84 119.26 121.69 1wpg h ALA 292 Ca 0.15 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1wpg h ALA 292 Cb 0.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1wpg h ALA 292 CO 0.01 -0.14 0.47 0.82 0.00 0.00 0.00 179.25 180.41 1wpg h ILE 293 N 0.44 0.85 -0.67 0.00 2.04 -1.29 -1.41 117.51 117.47 1wpg h ILE 293 Ca 0.25 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 1wpg h ILE 293 Cb 0.22 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1wpg h ILE 293 CO -0.21 0.08 0.10 0.22 0.00 0.00 0.00 178.15 178.34 1wpg h TYR 294 N 0.45 1.19 -0.15 1.37 3.20 -1.07 -0.20 116.97 121.77 1wpg h TYR 294 Ca 0.34 -0.17 -0.22 0.00 3.14 0.00 0.00 58.73 61.82 1wpg h TYR 294 Cb 0.69 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.65 1wpg h TYR 294 CO -0.00 0.99 -0.79 1.88 -1.64 0.00 0.00 178.16 178.60 1wpg h TYR 295 N 1.04 1.06 0.00 -3.82 -1.99 -1.15 -2.51 116.97 109.60 1wpg h TYR 295 Ca 0.20 -0.47 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1wpg h TYR 295 Cb 0.45 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1wpg h TYR 295 CO 0.03 1.31 0.00 1.19 -0.00 0.00 0.00 178.16 180.69 1wpg n PHE 296 N -3.93 0.00 -0.07 4.88 3.01 -0.64 -0.77 117.46 119.94 1wpg n PHE 296 Ca -0.07 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.17 1wpg n PHE 296 Cb 0.75 -0.17 -0.12 0.00 -0.01 0.00 0.00 39.48 39.93 1wpg n PHE 296 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1wpg n LYS 297 N -1.17 0.63 0.01 -1.08 3.00 -0.10 -3.97 118.16 115.49 1wpg n LYS 297 Ca 0.13 0.47 0.13 0.00 -0.00 0.00 0.00 58.31 59.04 1wpg n LYS 297 Cb 0.14 -1.73 0.36 0.00 0.00 0.00 0.00 35.03 33.80 1wpg n LYS 297 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1wpg n ILE 298 N -4.12 0.08 -0.07 3.15 -5.35 -0.98 -3.25 119.36 108.84 1wpg n ILE 298 Ca -0.33 -0.05 -0.13 0.00 -0.27 0.00 0.00 62.75 61.97 1wpg n ILE 298 Cb 0.81 -0.08 -0.06 0.00 -1.74 0.00 0.00 39.64 38.57 1wpg n ILE 298 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpg h ALA 299 N 2.90 0.27 0.00 -1.28 0.00 -1.11 -0.11 119.26 119.93 1wpg h ALA 299 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1wpg h ALA 299 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wpg h ALA 299 CO 0.00 0.15 -0.22 -0.39 0.00 0.00 0.00 179.25 178.80 1wpg h VAL 300 N 0.10 0.43 -0.07 0.00 -1.51 -1.69 -2.34 116.25 111.17 1wpg h VAL 300 Ca 0.03 -1.30 -0.22 0.00 -1.23 0.00 0.00 66.70 63.98 1wpg h VAL 300 Cb 0.67 1.96 0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1wpg h VAL 300 CO 0.04 0.21 -0.83 0.00 -1.23 0.00 0.00 177.57 175.76 1wpg h ALA 301 N 1.78 0.19 -0.45 5.19 0.00 -1.49 -1.92 119.26 122.56 1wpg h ALA 301 Ca -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1wpg h ALA 301 Cb 0.95 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1wpg h ALA 301 CO 0.03 0.61 -0.26 -0.07 0.00 0.00 0.00 179.25 179.56 1wpg h LEU 302 N 0.36 1.00 0.64 0.00 3.38 -0.97 -1.01 115.31 118.71 1wpg h LEU 302 Ca -0.09 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1wpg h LEU 302 Cb 1.49 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1wpg h LEU 302 CO 0.17 1.19 -0.31 0.00 0.09 0.00 0.00 178.44 179.58 1wpg h ALA 303 N 0.87 -0.86 -0.45 1.53 0.00 -1.43 -0.69 119.26 118.24 1wpg h ALA 303 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wpg h ALA 303 Cb 0.84 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1wpg h ALA 303 CO 0.07 -0.96 0.28 0.28 0.00 0.00 0.00 179.25 178.92 1wpg h VAL 304 N -0.90 1.12 0.00 0.00 2.07 -1.36 -1.93 116.25 115.25 1wpg h VAL 304 Ca -0.09 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 1wpg h VAL 304 Cb 0.67 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1wpg h VAL 304 CO 0.14 0.12 -0.54 0.00 0.02 0.00 0.00 177.57 177.32 1wpg h ALA 305 N 1.70 0.85 0.19 1.67 0.00 -0.98 -3.31 119.26 119.38 1wpg h ALA 305 Ca 0.16 -0.49 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 1wpg h ALA 305 Cb -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wpg h ALA 305 CO -0.03 0.68 -1.73 0.00 0.00 0.00 0.00 179.25 178.17 1wpg h ALA 306 N 1.46 0.14 -2.34 0.00 0.00 -0.61 -3.40 119.26 114.51 1wpg h ALA 306 Ca -0.01 -1.12 -0.57 0.00 0.00 0.00 0.00 54.91 53.21 1wpg h ALA 306 Cb 1.15 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1wpg h ALA 306 CO 0.07 1.01 0.46 0.42 0.00 0.00 0.00 179.25 181.21 1wpg s ILE 307 N -2.58 4.84 -1.16 0.00 1.01 -0.77 -4.83 121.20 117.71 1wpg s ILE 307 Ca -0.15 1.81 -0.20 0.00 0.00 0.00 0.00 60.65 62.10 1wpg s ILE 307 Cb 0.05 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 38.37 1wpg s ILE 307 CO 0.86 0.03 1.59 -2.16 0.00 0.00 0.00 174.94 175.25 1wpg s PRO 308 N 2.03 3.79 0.39 2.79 0.04 -1.26 -4.86 135.00 137.93 1wpg s PRO 308 Ca 0.43 -1.57 0.20 0.00 0.04 0.00 0.00 61.00 60.10 1wpg s PRO 308 Cb -0.17 -5.44 1.16 0.00 0.04 0.00 0.00 34.50 30.09 1wpg s PRO 308 CO 0.15 -2.22 1.72 0.93 0.04 0.00 0.00 177.00 177.62 1wpg h GLU 309 N 8.68 0.32 -0.00 4.56 3.07 -1.88 -2.15 114.58 127.18 1wpg h GLU 309 Ca 0.32 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1wpg h GLU 309 Cb 0.94 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1wpg h GLU 309 CO 1.44 0.21 -0.45 0.41 -1.40 0.00 0.00 179.01 179.22 1wpg n GLY 310 N -1.45 -0.88 0.27 -3.84 0.00 -0.99 -4.49 105.19 93.81 1wpg n GLY 310 Ca 0.29 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1wpg n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wpg h LEU 311 N 0.65 -0.75 -1.95 0.99 5.85 -1.66 -0.89 115.31 117.56 1wpg h LEU 311 Ca 0.00 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1wpg h LEU 311 Cb 0.52 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1wpg h LEU 311 CO 0.00 -0.24 -0.06 1.55 -0.34 0.00 0.00 178.44 179.34 1wpg h PRO 312 N -0.11 0.00 0.00 5.25 0.13 -1.80 -1.10 132.00 134.37 1wpg h PRO 312 Ca 0.22 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.16 1wpg h PRO 312 Cb 0.46 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1wpg h PRO 312 CO -0.55 0.06 -0.90 0.00 -0.23 0.00 0.00 178.00 176.38 1wpg h ALA 313 N 1.94 0.51 -0.18 -0.56 0.00 -1.49 -2.34 119.26 117.14 1wpg h ALA 313 Ca -0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 54.91 53.90 1wpg h ALA 313 Cb 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wpg h ALA 313 CO 0.01 1.11 -0.63 0.28 0.00 0.00 0.00 179.25 180.02 1wpg h VAL 314 N 0.00 1.30 0.33 0.00 2.07 -0.48 -2.74 116.25 116.73 1wpg h VAL 314 Ca -0.01 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1wpg h VAL 314 Cb 1.59 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1wpg h VAL 314 CO 0.12 0.58 -0.16 0.40 0.02 0.00 0.00 177.57 178.53 1wpg h ILE 315 N 0.48 0.69 -0.20 4.57 2.04 -1.23 -0.87 117.51 122.99 1wpg h ILE 315 Ca -0.03 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1wpg h ILE 315 Cb 1.26 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1wpg h ILE 315 CO 0.13 0.04 -0.17 0.74 0.00 0.00 0.00 178.15 178.89 1wpg h THR 316 N -0.55 0.53 -0.74 -0.27 2.02 -1.49 0.10 112.91 112.50 1wpg h THR 316 Ca -0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1wpg h THR 316 Cb 0.41 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1wpg h THR 316 CO 0.07 0.00 0.44 0.74 0.37 0.00 0.00 175.52 177.14 1wpg h THR 317 N -0.18 1.01 0.58 3.16 2.02 -1.42 0.27 112.91 118.35 1wpg h THR 317 Ca 0.12 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1wpg h THR 317 Cb 0.37 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1wpg h THR 317 CO -0.31 0.15 -0.28 0.00 0.37 0.00 0.00 175.52 175.45 1wpg h LEU 319 N -0.91 0.33 -0.44 0.00 4.07 -0.55 0.25 115.31 118.06 1wpg h LEU 319 Ca -0.08 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1wpg h LEU 319 Cb 0.64 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1wpg h LEU 319 CO 0.13 0.22 0.29 0.00 -1.08 0.00 0.00 178.44 178.00 1wpg h ALA 320 N 1.33 0.56 -0.15 1.53 0.00 -0.45 0.17 119.26 122.24 1wpg h ALA 320 Ca 0.26 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1wpg h ALA 320 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wpg h ALA 320 CO -0.21 0.01 -0.43 -0.07 0.00 0.00 0.00 179.25 178.55 1wpg h LEU 321 N 0.60 0.39 -0.77 0.00 3.38 -0.78 -2.59 115.31 115.54 1wpg h LEU 321 Ca 0.16 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1wpg h LEU 321 Cb -0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1wpg h LEU 321 CO -0.03 0.77 -0.38 1.23 0.09 0.00 0.00 178.44 180.12 1wpg h GLY 322 N 1.18 0.54 0.91 0.83 0.00 0.10 -2.58 103.07 104.04 1wpg h GLY 322 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1wpg h GLY 322 CO 0.07 0.47 0.01 -0.84 0.00 0.00 0.00 176.54 176.25 1wpg h THR 323 N 0.42 1.25 -0.25 4.70 2.02 -0.49 -0.71 112.91 119.85 1wpg h THR 323 Ca 0.04 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1wpg h THR 323 Cb 0.85 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1wpg h THR 323 CO 0.07 0.31 0.14 0.03 0.37 0.00 0.00 175.52 176.44 1wpg h ARG 324 N 0.41 0.33 -0.18 6.66 3.08 -1.37 0.14 114.38 123.45 1wpg h ARG 324 Ca 0.10 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1wpg h ARG 324 Cb 0.43 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1wpg h ARG 324 CO 0.01 0.24 -0.63 -0.09 -1.07 0.00 0.00 179.97 178.44 1wpg h ARG 325 N 0.34 0.63 -0.27 0.04 2.43 -1.04 -3.02 114.38 113.49 1wpg h ARG 325 Ca 0.09 -0.44 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 1wpg h ARG 325 Cb -0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1wpg h ARG 325 CO -0.02 1.06 -0.41 0.52 -1.51 0.00 0.00 179.97 179.61 1wpg h MET 326 N 0.47 0.65 -0.34 0.20 2.86 0.32 -2.61 114.93 116.47 1wpg h MET 326 Ca -0.01 -0.34 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1wpg h MET 326 Cb 1.20 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1wpg h MET 326 CO 0.12 0.94 0.23 0.00 1.06 0.00 0.00 176.91 179.27 1wpg h ALA 327 N 1.02 2.12 -0.00 6.32 0.00 -0.71 0.54 119.26 128.55 1wpg h ALA 327 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1wpg h ALA 327 Cb 0.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1wpg h ALA 327 CO 0.08 -0.20 -0.48 0.87 0.00 0.00 0.00 179.25 179.52 1wpg h LYS 328 N 0.15 0.00 -0.16 0.00 1.79 -1.35 -1.22 116.57 115.79 1wpg h LYS 328 Ca 0.15 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1wpg h LYS 328 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1wpg h LYS 328 CO -0.02 0.48 0.00 1.63 -1.08 0.00 0.00 179.45 180.46 1wpg n LYS 329 N -3.97 1.45 -1.12 3.15 4.76 0.18 -4.89 118.16 117.73 1wpg n LYS 329 Ca -0.02 -0.69 -0.04 0.00 -2.87 0.00 0.00 58.31 54.69 1wpg n LYS 329 Cb 0.50 -1.24 -0.02 0.00 -1.84 0.00 0.00 35.03 32.43 1wpg n LYS 329 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wpg n ASN 330 N -0.01 -3.60 -4.15 4.39 3.02 -0.46 -4.86 115.26 109.60 1wpg n ASN 330 Ca 0.10 0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 54.40 1wpg n ASN 330 Cb 0.19 -1.46 -0.12 0.00 -0.61 0.00 0.00 39.78 37.78 1wpg n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpg s ALA 331 N -2.12 3.07 -0.30 5.41 0.00 -0.68 -1.77 121.76 125.38 1wpg s ALA 331 Ca 0.00 -2.30 -0.24 0.00 0.00 0.00 0.00 51.96 49.43 1wpg s ALA 331 Cb 0.00 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.82 1wpg s ALA 331 CO 0.00 -1.64 0.80 0.42 0.00 0.00 0.00 175.76 175.33 1wpg s ILE 332 N 1.19 4.79 -0.26 0.00 1.09 -0.64 -3.02 121.20 124.35 1wpg s ILE 332 Ca 0.04 1.25 -0.13 0.00 -1.10 0.00 0.00 60.65 60.71 1wpg s ILE 332 Cb -0.22 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 36.99 1wpg s ILE 332 CO -0.03 -0.23 0.30 -0.69 -0.10 0.00 0.00 174.94 174.19 1wpg s VAL 333 N 2.95 5.24 -0.83 2.92 1.01 -1.26 -0.78 120.40 129.65 1wpg s VAL 333 Ca 0.33 0.42 0.23 0.00 0.00 0.00 0.00 61.98 62.96 1wpg s VAL 333 Cb -0.14 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1wpg s VAL 333 CO 0.12 0.21 1.15 0.54 0.00 0.00 0.00 175.10 177.12 1wpg n ARG 334 N 5.09 0.13 -3.72 2.72 1.74 0.24 -4.74 116.66 118.11 1wpg n ARG 334 Ca -0.11 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.68 1wpg n ARG 334 Cb 0.51 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 30.25 1wpg n ARG 334 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wpg s SER 335 N -3.42 3.69 0.21 0.55 0.15 -1.11 -5.04 113.70 108.73 1wpg s SER 335 Ca 0.07 -1.37 -0.14 0.00 0.70 0.00 0.00 55.95 55.21 1wpg s SER 335 Cb 0.16 -0.76 0.23 0.00 -1.71 0.00 0.00 66.02 63.94 1wpg s SER 335 CO 0.78 -0.38 1.63 -0.07 1.20 0.00 0.00 173.24 176.39 1wpg h LEU 336 N 8.15 -0.56 -0.71 3.45 -0.00 -1.92 0.59 115.31 124.32 1wpg h LEU 336 Ca -0.15 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1wpg h LEU 336 Cb 1.04 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1wpg h LEU 336 CO 0.43 -0.20 0.12 -2.65 -0.00 0.00 0.00 178.44 176.14 1wpg n PRO 337 N -5.42 0.07 0.09 1.13 -0.02 -1.26 -1.80 135.00 127.79 1wpg n PRO 337 Ca 0.07 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 62.03 1wpg n PRO 337 Cb 0.32 -1.85 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1wpg n PRO 337 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1wpg h SER 338 N 0.00 0.04 -0.58 2.55 0.02 -1.27 -3.31 113.55 111.00 1wpg h SER 338 Ca 0.00 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1wpg h SER 338 Cb 0.23 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.66 1wpg h SER 338 CO 0.00 0.85 -0.01 0.58 -1.14 0.00 0.00 176.83 177.11 1wpg h VAL 339 N 0.02 0.52 -0.39 2.27 2.07 -1.48 0.71 116.25 119.97 1wpg h VAL 339 Ca -0.01 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1wpg h VAL 339 Cb 1.46 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1wpg h VAL 339 CO 0.11 0.02 0.18 1.05 0.02 0.00 0.00 177.57 178.95 1wpg h GLU 340 N 0.11 0.57 -0.09 1.57 4.11 -1.77 -3.06 114.58 116.02 1wpg h GLU 340 Ca 0.30 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.55 1wpg h GLU 340 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1wpg h GLU 340 CO -0.50 0.50 -0.36 1.15 0.07 0.00 0.00 179.01 179.88 1wpg h THR 341 N 0.49 1.28 0.34 -1.06 2.02 -1.41 -3.26 112.91 111.31 1wpg h THR 341 Ca 0.13 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 1wpg h THR 341 Cb 0.13 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1wpg h THR 341 CO -0.02 0.40 -0.22 0.25 0.37 0.00 0.00 175.52 176.30 1wpg h LEU 342 N 0.15 -0.56 -1.45 2.58 6.46 -0.78 -1.86 115.31 119.85 1wpg h LEU 342 Ca 0.02 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1wpg h LEU 342 Cb 0.71 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1wpg h LEU 342 CO 0.05 -0.35 0.09 1.23 -0.62 0.00 0.00 178.44 178.84 1wpg h GLY 343 N -0.55 0.00 -0.28 3.75 0.00 -1.61 0.30 103.07 104.68 1wpg h GLY 343 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1wpg h GLY 343 CO 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.28 1wpg n THR 345 N -0.30 0.59 0.02 0.00 -1.04 0.11 -4.57 114.28 109.09 1wpg n THR 345 Ca 0.12 -0.15 0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1wpg n THR 345 Cb 0.39 -1.97 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 1wpg n THR 345 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1wpg n SER 346 N 2.92 3.51 -3.85 8.00 3.41 -0.58 -4.77 113.62 122.25 1wpg n SER 346 Ca 0.12 -0.08 -0.20 0.00 -0.26 0.00 0.00 58.87 58.45 1wpg n SER 346 Cb 0.36 1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 65.31 1wpg n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wpg s VAL 347 N -2.17 0.42 -0.31 -3.33 1.01 -1.15 -1.06 120.40 113.80 1wpg s VAL 347 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1wpg s VAL 347 Cb 0.03 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1wpg s VAL 347 CO 0.17 0.21 0.04 -0.63 0.00 0.00 0.00 175.10 174.90 1wpg s ILE 348 N 1.10 3.39 0.05 2.22 1.01 0.12 -0.17 121.20 128.94 1wpg s ILE 348 Ca -0.08 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.16 1wpg s ILE 348 Cb -0.14 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.37 1wpg s ILE 348 CO -0.01 -0.10 0.66 0.00 0.00 0.00 0.00 174.94 175.49 1wpg s SER 350 N -0.54 0.37 0.71 0.00 0.15 0.17 -0.62 113.70 113.94 1wpg s SER 350 Ca 0.33 -0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 1wpg s SER 350 Cb -0.20 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.01 1wpg s SER 350 CO 0.20 -0.03 1.08 -0.62 1.20 0.00 0.00 173.24 175.08 1wpg s ASP 351 N 0.43 4.99 -0.07 5.45 3.68 0.37 -0.25 116.67 131.27 1wpg s ASP 351 Ca -0.04 1.80 -0.06 0.00 2.13 0.00 0.00 52.55 56.38 1wpg s ASP 351 Cb -0.07 -2.52 -0.02 0.00 -1.45 0.00 0.00 42.92 38.86 1wpg s ASP 351 CO -0.01 -1.71 -0.12 1.17 0.13 0.00 0.00 175.17 174.63 1wpg n LYS 352 N -3.05 0.19 -1.68 4.34 4.81 -1.26 -3.61 118.16 117.91 1wpg n LYS 352 Ca 0.09 0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 57.22 1wpg n LYS 352 Cb 0.53 -0.88 -0.03 0.00 0.02 0.00 0.00 35.03 34.67 1wpg n LYS 352 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1wpg s THR 353 N -1.68 3.06 0.00 3.15 2.01 -1.26 -0.27 115.64 120.65 1wpg s THR 353 Ca -0.10 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1wpg s THR 353 Cb 0.01 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1wpg s THR 353 CO 0.15 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1wpg n GLY 354 N 4.88 1.20 0.92 4.40 0.00 -0.93 -4.80 105.19 110.86 1wpg n GLY 354 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wpg n GLY 354 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wpg n THR 355 N -2.00 0.35 0.11 2.61 -1.04 -0.55 -4.76 114.28 109.00 1wpg n THR 355 Ca 0.00 0.14 -0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1wpg n THR 355 Cb 0.00 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 1wpg n THR 355 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wpg h LEU 356 N -0.03 0.00 -9.89 -4.42 4.07 -0.70 -3.46 115.31 100.88 1wpg h LEU 356 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1wpg h LEU 356 Cb 0.03 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 1wpg h LEU 356 CO 0.00 0.63 -0.50 0.42 -1.08 0.00 0.00 178.44 177.91 1wpg s THR 357 N -2.89 2.36 -0.45 0.22 -4.23 -0.41 -1.08 115.64 109.15 1wpg s THR 357 Ca 0.03 -1.70 0.23 0.00 -1.18 0.00 0.00 61.69 59.07 1wpg s THR 357 Cb 0.08 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.23 1wpg s THR 357 CO 0.77 -0.02 1.57 0.71 -0.54 0.00 0.00 174.62 177.12 1wpg h THR 358 N 1.43 0.00 -4.04 3.99 1.35 -1.37 -2.46 112.91 111.82 1wpg h THR 358 Ca -0.43 -0.95 -0.26 0.00 -0.55 0.00 0.00 66.41 64.23 1wpg h THR 358 Cb 1.25 1.90 0.09 0.00 -1.73 0.00 0.00 68.15 69.66 1wpg h THR 358 CO 0.69 0.00 -0.43 -3.20 -0.25 0.00 0.00 175.52 172.33 1wpg n ASN 359 N -2.98 -4.80 -3.55 5.36 4.05 -1.26 -4.64 115.26 107.44 1wpg n ASN 359 Ca 0.04 -0.34 -0.29 0.00 0.45 0.00 0.00 54.58 54.45 1wpg n ASN 359 Cb 0.52 -3.40 -0.15 0.00 1.23 0.00 0.00 39.78 37.98 1wpg n ASN 359 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1wpg s GLN 360 N -5.81 0.17 0.05 1.20 -0.21 -1.26 -4.95 119.66 108.84 1wpg s GLN 360 Ca 0.37 -0.47 -0.38 0.00 0.02 0.00 0.00 55.36 54.90 1wpg s GLN 360 Cb -0.16 -1.25 -0.18 0.00 1.00 0.00 0.00 33.01 32.42 1wpg s GLN 360 CO 0.45 -0.97 1.24 -1.33 -2.12 0.00 0.00 175.29 172.56 1wpg n MET 361 N 5.25 0.68 -3.98 2.91 2.81 -1.26 -4.51 117.12 119.02 1wpg n MET 361 Ca -0.06 0.25 -0.19 0.00 -1.81 0.00 0.00 57.70 55.88 1wpg n MET 361 Cb 0.43 -1.83 -0.17 0.00 -0.71 0.00 0.00 33.22 30.94 1wpg n MET 361 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wpg s SER 362 N 0.33 0.85 -0.25 7.83 0.01 -0.20 -4.35 113.70 117.91 1wpg s SER 362 Ca 0.87 -0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.77 1wpg s SER 362 Cb -1.08 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 64.80 1wpg s SER 362 CO 0.51 -0.10 1.19 -0.69 0.41 0.00 0.00 173.24 174.56 1wpg s VAL 363 N 1.18 4.36 -0.41 3.43 1.01 -1.26 -1.48 120.40 127.23 1wpg s VAL 363 Ca -0.07 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.58 1wpg s VAL 363 Cb -0.14 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 1wpg s VAL 363 CO -0.02 -0.33 0.37 0.00 0.00 0.00 0.00 175.10 175.12 1wpg s LYS 365 N -1.80 0.57 0.11 0.00 1.02 -1.17 -0.32 119.74 118.14 1wpg s LYS 365 Ca 0.03 -0.46 -0.25 0.00 0.02 0.00 0.00 55.97 55.31 1wpg s LYS 365 Cb 0.07 0.24 0.08 0.00 -0.52 0.00 0.00 37.83 37.69 1wpg s LYS 365 CO 0.35 -0.15 0.74 0.00 -0.92 0.00 0.00 175.35 175.37 1wpg s MET 366 N -1.76 1.15 0.08 1.68 0.23 -0.74 -0.50 119.30 119.44 1wpg s MET 366 Ca -0.12 -0.47 -0.21 0.00 -1.03 0.00 0.00 55.69 53.87 1wpg s MET 366 Cb -0.05 0.50 0.05 0.00 -1.53 0.00 0.00 34.83 33.80 1wpg s MET 366 CO 0.00 -0.51 0.50 -0.59 -2.03 0.00 0.00 175.02 172.39 1wpg s PHE 367 N -3.51 -0.39 0.38 3.16 -0.71 -0.63 -0.93 117.98 115.36 1wpg s PHE 367 Ca 0.04 0.33 0.04 0.00 -1.04 0.00 0.00 56.93 56.30 1wpg s PHE 367 Cb -0.01 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 1wpg s PHE 367 CO -0.09 -0.68 0.17 0.96 -1.34 0.00 0.00 175.22 174.24 1wpg s ILE 368 N -2.87 0.43 -0.22 -4.49 -4.36 -0.77 -1.63 121.20 107.29 1wpg s ILE 368 Ca -0.03 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 1wpg s ILE 368 Cb -0.00 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 1wpg s ILE 368 CO -0.05 0.00 0.37 -0.63 0.24 0.00 0.00 174.94 174.87 1wpg s ILE 369 N -3.31 5.21 -0.08 8.37 -1.09 -1.26 -0.27 121.20 128.76 1wpg s ILE 369 Ca 0.29 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1wpg s ILE 369 Cb 0.03 -3.70 -0.25 0.00 -1.58 0.00 0.00 42.46 36.95 1wpg s ILE 369 CO 0.18 0.24 0.52 -0.78 -1.23 0.00 0.00 174.94 173.86 1wpg h ASP 370 N 7.54 0.28 -4.80 3.58 -0.00 -1.38 -3.37 116.42 118.26 1wpg h ASP 370 Ca -0.35 -0.60 -0.02 0.00 -0.00 0.00 0.00 57.03 56.06 1wpg h ASP 370 Cb 1.16 -0.09 -0.19 0.00 -0.00 0.00 0.00 39.33 40.22 1wpg h ASP 370 CO 0.70 1.53 0.28 -0.75 -0.00 0.00 0.00 179.24 181.00 1wpg s LYS 371 N -2.58 0.98 -0.09 0.28 2.20 -1.18 -4.85 119.74 114.51 1wpg s LYS 371 Ca -0.15 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1wpg s LYS 371 Cb 0.07 0.46 0.03 0.00 -1.51 0.00 0.00 37.83 36.88 1wpg s LYS 371 CO 0.80 -0.33 0.00 0.08 -0.36 0.00 0.00 175.35 175.53 1wpg s VAL 372 N -1.65 0.44 -0.86 4.02 1.01 -1.26 -1.22 120.40 120.89 1wpg s VAL 372 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1wpg s VAL 372 Cb -0.00 -0.63 0.29 0.00 0.00 0.00 0.00 36.38 36.03 1wpg s VAL 372 CO 0.04 0.20 1.19 0.47 0.00 0.00 0.00 175.10 177.01 1wpg n ASP 373 N 5.12 5.34 0.00 3.32 8.00 0.28 -4.98 116.55 133.63 1wpg n ASP 373 Ca -0.08 -3.49 0.00 0.00 0.71 0.00 0.00 54.79 51.93 1wpg n ASP 373 Cb 0.50 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1wpg n ASP 373 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpg n GLY 374 N 0.81 0.99 0.08 0.44 0.00 -1.26 -2.25 105.19 104.00 1wpg n GLY 374 Ca 0.30 0.47 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 1wpg n GLY 374 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wpg n ASP 375 N 3.47 0.48 -4.89 1.61 10.43 -1.26 -4.75 116.55 121.64 1wpg n ASP 375 Ca 0.00 0.22 -0.33 0.00 2.57 0.00 0.00 54.79 57.25 1wpg n ASP 375 Cb 0.00 0.58 -0.05 0.00 1.84 0.00 0.00 41.12 43.49 1wpg n ASP 375 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1wpg s PHE 376 N -2.75 3.54 -0.13 1.24 5.36 -0.96 -3.62 117.98 120.66 1wpg s PHE 376 Ca -0.06 0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 56.30 1wpg s PHE 376 Cb 0.08 -1.96 0.04 0.00 -0.34 0.00 0.00 43.02 40.84 1wpg s PHE 376 CO 0.83 0.56 0.35 0.00 -1.46 0.00 0.00 175.22 175.50 1wpg s SER 378 N 0.29 4.95 0.08 0.00 1.04 -0.35 -5.00 113.70 114.71 1wpg s SER 378 Ca -0.01 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 1wpg s SER 378 Cb -0.03 -1.55 -0.05 0.00 0.10 0.00 0.00 66.02 64.48 1wpg s SER 378 CO -0.01 0.28 0.34 -0.76 0.98 0.00 0.00 173.24 174.07 1wpg s LEU 379 N -0.31 4.33 -0.42 2.42 1.43 -1.26 -1.02 118.68 123.84 1wpg s LEU 379 Ca 0.06 0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 53.67 1wpg s LEU 379 Cb -0.12 -3.00 0.08 0.00 0.03 0.00 0.00 46.19 43.17 1wpg s LEU 379 CO 0.02 0.15 0.27 0.21 0.23 0.00 0.00 176.35 177.24 1wpg s ASN 380 N -2.03 5.69 -0.05 2.29 3.84 0.63 -4.78 114.94 120.52 1wpg s ASN 380 Ca 0.34 -1.49 -0.11 0.00 0.21 0.00 0.00 52.86 51.81 1wpg s ASN 380 Cb -0.13 -2.01 -0.05 0.00 -0.55 0.00 0.00 41.25 38.51 1wpg s ASN 380 CO 0.20 -0.55 0.29 -1.61 -2.79 0.00 0.00 177.10 172.64 1wpg s GLU 381 N 1.44 3.69 0.13 0.43 2.02 -1.26 -1.84 118.70 123.32 1wpg s GLU 381 Ca 0.03 0.15 0.04 0.00 0.02 0.00 0.00 54.97 55.22 1wpg s GLU 381 Cb -0.23 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1wpg s GLU 381 CO 0.02 0.73 -0.10 -0.06 0.02 0.00 0.00 175.26 175.87 1wpg s PHE 382 N -1.08 1.20 0.24 1.61 0.40 -0.10 -4.70 117.98 115.56 1wpg s PHE 382 Ca 0.20 -0.74 0.10 0.00 -0.60 0.00 0.00 56.93 55.89 1wpg s PHE 382 Cb -0.14 -0.62 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 1wpg s PHE 382 CO 0.10 0.05 -0.17 -1.54 0.70 0.00 0.00 175.22 174.36 1wpg s SER 383 N -2.98 3.08 -0.04 1.36 1.04 -0.59 -1.80 113.70 113.77 1wpg s SER 383 Ca 0.14 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1wpg s SER 383 Cb 0.01 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.93 1wpg s SER 383 CO 0.00 -0.08 -0.06 -0.63 0.98 0.00 0.00 173.24 173.46 1wpg s ILE 384 N -2.75 0.60 0.57 -1.02 -1.09 0.56 -0.07 121.20 118.01 1wpg s ILE 384 Ca 0.26 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1wpg s ILE 384 Cb -0.03 -0.60 0.04 0.00 -1.58 0.00 0.00 42.46 40.29 1wpg s ILE 384 CO 0.11 0.23 0.81 0.42 -1.23 0.00 0.00 174.94 175.28 1wpg s THR 385 N 0.76 2.63 0.00 2.92 -4.23 -0.51 -4.48 115.64 112.73 1wpg s THR 385 Ca -0.11 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1wpg s THR 385 Cb -0.14 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1wpg s THR 385 CO 0.01 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1wpg n GLY 386 N -2.43 2.64 0.03 3.99 0.00 -1.26 -4.08 105.19 104.08 1wpg n GLY 386 Ca 0.08 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.65 1wpg n GLY 386 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wpg n SER 387 N 0.00 2.06 -3.68 1.61 7.64 -1.26 -4.94 113.62 115.05 1wpg n SER 387 Ca 0.00 -2.33 -0.23 0.00 1.01 0.00 0.00 58.87 57.33 1wpg n SER 387 Cb 0.00 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 1wpg n SER 387 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wpg s THR 388 N -1.57 0.24 -0.89 0.44 -4.23 -1.26 -4.69 115.64 103.69 1wpg s THR 388 Ca 0.10 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.82 1wpg s THR 388 Cb 0.09 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.71 1wpg s THR 388 CO 0.01 0.00 1.65 -1.22 -0.54 0.00 0.00 174.62 174.52 1wpg n TYR 389 N -0.77 0.21 -1.76 3.99 4.01 -1.26 -4.80 117.16 116.78 1wpg n TYR 389 Ca 0.01 0.08 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 1wpg n TYR 389 Cb 0.63 -0.62 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 1wpg n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wpg n ALA 390 N -1.57 2.44 -0.71 -0.72 0.00 -1.26 -4.77 120.51 113.92 1wpg n ALA 390 Ca 0.04 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 1wpg n ALA 390 Cb 0.25 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.15 1wpg n ALA 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wpg n PRO 391 N 1.13 1.41 -4.70 0.00 -0.04 -1.26 -4.77 135.00 126.77 1wpg n PRO 391 Ca 0.04 -0.64 -0.33 0.00 -0.04 0.00 0.00 63.50 62.53 1wpg n PRO 391 Cb 0.38 -1.75 -0.16 0.00 -0.04 0.00 0.00 33.50 31.93 1wpg n PRO 391 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wpg s GLU 392 N 1.28 3.16 0.00 0.54 2.02 -1.26 -4.67 118.70 119.77 1wpg s GLU 392 Ca 0.43 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1wpg s GLU 392 Cb 0.20 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1wpg s GLU 392 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1wpg n GLY 393 N 3.91 2.97 3.31 -1.39 0.00 -1.26 -4.40 105.19 108.33 1wpg n GLY 393 Ca -0.19 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1wpg n GLY 393 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpg s GLU 394 N -2.02 1.22 -0.20 1.61 2.02 -1.26 -4.88 118.70 115.19 1wpg s GLU 394 Ca 0.00 -1.53 -0.18 0.00 0.02 0.00 0.00 54.97 53.27 1wpg s GLU 394 Cb 0.00 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.28 1wpg s GLU 394 CO 0.00 0.14 0.51 0.08 0.02 0.00 0.00 175.26 176.01 1wpg s VAL 395 N -3.12 5.11 0.08 2.63 1.01 -1.26 -1.42 120.40 123.43 1wpg s VAL 395 Ca 0.20 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.18 1wpg s VAL 395 Cb 0.01 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1wpg s VAL 395 CO 0.04 0.18 -0.11 -0.76 0.00 0.00 0.00 175.10 174.45 1wpg s LEU 396 N 1.62 2.97 -0.15 3.92 1.43 0.91 -2.22 118.68 127.16 1wpg s LEU 396 Ca 0.24 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1wpg s LEU 396 Cb -0.15 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1wpg s LEU 396 CO 0.09 0.21 -0.08 -0.75 0.23 0.00 0.00 176.35 176.05 1wpg s LYS 397 N -1.94 1.72 -1.46 1.70 2.47 0.34 -1.54 119.74 121.02 1wpg s LYS 397 Ca 0.19 -0.50 -0.08 0.00 -1.56 0.00 0.00 55.97 54.02 1wpg s LYS 397 Cb -0.11 -1.97 0.03 0.00 -1.46 0.00 0.00 37.83 34.32 1wpg s LYS 397 CO 0.11 -0.35 0.74 0.09 0.16 0.00 0.00 175.35 176.11 1wpg n ASN 398 N 4.84 -5.44 -0.38 1.43 3.02 -1.26 -1.12 115.26 116.35 1wpg n ASN 398 Ca -0.13 -0.43 -0.05 0.00 -0.03 0.00 0.00 54.58 53.93 1wpg n ASN 398 Cb 0.49 -4.38 -0.02 0.00 -0.61 0.00 0.00 39.78 35.26 1wpg n ASN 398 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wpg n ASP 399 N -2.61 -4.60 -4.28 6.41 9.92 -1.26 -5.00 116.55 115.13 1wpg n ASP 399 Ca -0.04 0.12 -0.31 0.00 -0.53 0.00 0.00 54.79 54.03 1wpg n ASP 399 Cb 0.58 -2.53 -0.16 0.00 -0.64 0.00 0.00 41.12 38.36 1wpg n ASP 399 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wpg s LYS 400 N -1.91 2.31 0.40 -1.24 1.02 -0.28 -5.03 119.74 115.01 1wpg s LYS 400 Ca 0.00 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 54.83 1wpg s LYS 400 Cb 0.00 -2.07 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 1wpg s LYS 400 CO 0.00 0.45 1.21 -2.30 -0.92 0.00 0.00 175.35 173.79 1wpg n PRO 401 N 2.74 1.82 -4.04 -1.68 -0.02 -1.26 -0.51 135.00 132.05 1wpg n PRO 401 Ca -0.17 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1wpg n PRO 401 Cb 0.52 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 1wpg n PRO 401 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1wpg s ILE 402 N -1.18 0.06 -0.38 4.25 -5.25 -0.94 -4.81 121.20 112.94 1wpg s ILE 402 Ca 0.60 -1.60 -0.13 0.00 -0.99 0.00 0.00 60.65 58.52 1wpg s ILE 402 Cb -0.54 -2.04 0.01 0.00 2.95 0.00 0.00 42.46 42.84 1wpg s ILE 402 CO 0.59 -0.25 0.26 -0.13 -1.79 0.00 0.00 174.94 173.62 1wpg s ARG 403 N -4.02 3.06 0.42 0.37 1.81 -1.26 -4.61 118.95 114.72 1wpg s ARG 403 Ca 0.23 -0.94 0.18 0.00 -1.72 0.00 0.00 55.73 53.47 1wpg s ARG 403 Cb 0.04 -3.87 1.09 0.00 -0.45 0.00 0.00 34.95 31.77 1wpg s ARG 403 CO 0.03 -0.66 1.87 0.77 -0.68 0.00 0.00 175.30 176.63 1wpg h SER 404 N 8.54 0.39 0.00 0.23 0.02 -1.90 -0.46 113.55 120.38 1wpg h SER 404 Ca -0.28 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1wpg h SER 404 Cb 1.13 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1wpg h SER 404 CO 0.69 0.16 0.20 1.23 -1.14 0.00 0.00 176.83 177.97 1wpg h GLY 405 N 0.39 0.00 1.90 -3.77 0.00 -1.80 -1.35 103.07 98.43 1wpg h GLY 405 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1wpg h GLY 405 CO -0.16 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.32 1wpg n GLN 406 N -2.82 0.06 -4.08 4.80 6.02 -0.18 -4.62 117.38 116.58 1wpg n GLN 406 Ca -0.02 0.16 -0.33 0.00 -0.01 0.00 0.00 57.00 56.80 1wpg n GLN 406 Cb 0.25 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.85 1wpg n GLN 406 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1wpg s PHE 407 N -2.90 2.86 0.48 1.08 0.08 -0.51 -4.98 117.98 114.10 1wpg s PHE 407 Ca 0.11 -1.60 0.15 0.00 0.12 0.00 0.00 56.93 55.71 1wpg s PHE 407 Cb 0.12 -1.96 1.16 0.00 -0.57 0.00 0.00 43.02 41.78 1wpg s PHE 407 CO 0.33 -0.78 2.07 -0.44 -0.10 0.00 0.00 175.22 176.30 1wpg h ASP 408 N 7.95 0.18 -0.70 1.36 3.45 -1.85 -1.28 116.42 125.52 1wpg h ASP 408 Ca -0.42 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.97 1wpg h ASP 408 Cb 1.13 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.83 1wpg h ASP 408 CO 0.62 0.12 0.18 1.23 -1.57 0.00 0.00 179.24 179.82 1wpg h GLY 409 N 0.20 1.20 1.90 2.75 0.00 -1.94 -2.02 103.07 105.17 1wpg h GLY 409 Ca 0.14 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.59 1wpg h GLY 409 CO -0.02 0.69 -0.63 1.41 0.00 0.00 0.00 176.54 177.99 1wpg h LEU 410 N 1.05 0.11 -0.55 3.11 3.38 -1.53 -0.96 115.31 119.92 1wpg h LEU 410 Ca 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1wpg h LEU 410 Cb 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1wpg h LEU 410 CO 0.00 0.71 0.25 0.58 0.09 0.00 0.00 178.44 180.07 1wpg h VAL 411 N 0.07 1.21 -0.19 1.22 2.07 -1.07 0.09 116.25 119.65 1wpg h VAL 411 Ca -0.01 -0.62 -0.19 0.00 0.82 0.00 0.00 66.70 66.70 1wpg h VAL 411 Cb 1.13 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1wpg h VAL 411 CO 0.09 0.24 -0.66 -0.08 0.02 0.00 0.00 177.57 177.18 1wpg h GLU 412 N 0.74 0.71 -0.14 1.57 4.81 -1.22 -2.04 114.58 119.02 1wpg h GLU 412 Ca 0.19 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1wpg h GLU 412 Cb 0.15 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1wpg h GLU 412 CO -0.02 1.14 0.07 1.25 -0.73 0.00 0.00 179.01 180.72 1wpg h LEU 413 N 0.52 0.11 -1.45 1.64 6.46 -0.87 -1.01 115.31 120.70 1wpg h LEU 413 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1wpg h LEU 413 Cb 1.26 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 1wpg h LEU 413 CO 0.13 0.09 0.05 0.00 -0.62 0.00 0.00 178.44 178.09 1wpg h ALA 414 N 1.06 1.56 -0.40 1.25 0.00 -0.98 -0.10 119.26 121.66 1wpg h ALA 414 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1wpg h ALA 414 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wpg h ALA 414 CO -0.03 0.33 0.13 1.15 0.00 0.00 0.00 179.25 180.83 1wpg h THR 415 N 0.41 1.21 -0.41 0.00 2.02 -0.71 0.86 112.91 116.29 1wpg h THR 415 Ca 0.10 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1wpg h THR 415 Cb 0.19 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1wpg h THR 415 CO -0.00 0.24 0.07 0.40 0.37 0.00 0.00 175.52 176.60 1wpg h ILE 416 N 0.51 1.24 -0.37 3.11 2.04 -0.49 -1.21 117.51 122.34 1wpg h ILE 416 Ca 0.13 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1wpg h ILE 416 Cb 0.24 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1wpg h ILE 416 CO -0.01 0.30 0.11 0.00 0.00 0.00 0.00 178.15 178.55 1wpg h ALA 418 N 1.59 0.11 0.17 0.00 0.00 -0.62 -3.39 119.26 117.13 1wpg h ALA 418 Ca 0.13 -0.45 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 1wpg h ALA 418 Cb 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wpg h ALA 418 CO -0.01 0.18 -1.51 -0.07 0.00 0.00 0.00 179.25 177.84 1wpg h LEU 419 N -0.21 0.57 -6.76 0.00 3.38 -1.07 -3.38 115.31 107.85 1wpg h LEU 419 Ca -0.03 -0.71 -0.75 0.00 0.09 0.00 0.00 57.88 56.48 1wpg h LEU 419 Cb 1.00 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.40 1wpg h LEU 419 CO 0.07 1.57 1.82 0.00 0.09 0.00 0.00 178.44 181.99 1wpg s ASN 421 N 1.22 -0.94 0.00 0.00 3.84 -1.26 -4.83 114.94 112.96 1wpg s ASN 421 Ca 0.40 1.48 0.21 0.00 0.21 0.00 0.00 52.86 55.16 1wpg s ASN 421 Cb 0.07 1.48 0.48 0.00 -0.55 0.00 0.00 41.25 42.73 1wpg s ASN 421 CO 0.01 -0.23 1.41 0.47 -2.79 0.00 0.00 177.10 175.96 1wpg n ASP 422 N 4.41 3.52 -3.84 -4.21 10.43 -1.26 -4.99 116.55 120.61 1wpg n ASP 422 Ca -0.19 -1.97 -0.21 0.00 2.57 0.00 0.00 54.79 54.99 1wpg n ASP 422 Cb 0.58 -0.33 -0.04 0.00 1.84 0.00 0.00 41.12 43.17 1wpg n ASP 422 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1wpg n SER 423 N 1.39 2.79 -1.56 -2.24 7.64 -1.26 -4.88 113.62 115.50 1wpg n SER 423 Ca 0.20 -2.46 -0.03 0.00 1.01 0.00 0.00 58.87 57.59 1wpg n SER 423 Cb 0.58 0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 1wpg n SER 423 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wpg n SER 424 N -1.36 -0.72 -4.39 6.43 3.41 -0.31 -4.96 113.62 111.72 1wpg n SER 424 Ca -0.12 -1.49 -0.27 0.00 -0.26 0.00 0.00 58.87 56.73 1wpg n SER 424 Cb 0.43 1.19 -0.12 0.00 -0.26 0.00 0.00 64.21 65.45 1wpg n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wpg s LEU 425 N 0.00 2.39 -0.09 1.04 2.96 -1.26 -1.68 118.68 122.04 1wpg s LEU 425 Ca 0.05 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.08 1wpg s LEU 425 Cb -0.02 -1.13 0.03 0.00 0.50 0.00 0.00 46.19 45.58 1wpg s LEU 425 CO 0.04 0.12 0.24 -0.62 -1.32 0.00 0.00 176.35 174.80 1wpg s ASP 426 N -2.42 -0.25 -0.34 3.68 2.15 -0.50 -4.69 116.67 114.30 1wpg s ASP 426 Ca 0.17 0.49 -0.15 0.00 0.43 0.00 0.00 52.55 53.49 1wpg s ASP 426 Cb -0.08 0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.96 1wpg s ASP 426 CO 0.08 -0.12 0.35 0.12 -0.17 0.00 0.00 175.17 175.43 1wpg s PHE 427 N 0.64 3.21 -0.66 -5.34 5.36 -1.26 -0.08 117.98 119.86 1wpg s PHE 427 Ca -0.04 -0.02 -0.26 0.00 -0.96 0.00 0.00 56.93 55.64 1wpg s PHE 427 Cb -0.06 -2.65 0.04 0.00 -0.34 0.00 0.00 43.02 40.01 1wpg s PHE 427 CO -0.04 -0.42 1.15 1.21 -1.46 0.00 0.00 175.22 175.66 1wpg s ASN 428 N 1.73 6.25 0.52 6.13 3.84 -0.15 -4.85 114.94 128.41 1wpg s ASN 428 Ca 0.11 -0.42 0.17 0.00 0.21 0.00 0.00 52.86 52.94 1wpg s ASN 428 Cb -0.17 -2.51 1.30 0.00 -0.55 0.00 0.00 41.25 39.32 1wpg s ASN 428 CO 0.11 -1.59 2.15 -0.33 -2.79 0.00 0.00 177.10 174.65 1wpg h GLU 429 N 9.73 0.00 0.11 0.43 5.08 -1.95 0.47 114.58 128.44 1wpg h GLU 429 Ca -0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1wpg h GLU 429 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1wpg h GLU 429 CO 1.21 0.01 -0.05 1.15 -1.00 0.00 0.00 179.01 180.33 1wpg h THR 430 N 0.00 1.05 0.00 1.13 2.02 -1.95 -3.24 112.91 111.91 1wpg h THR 430 Ca -0.00 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1wpg h THR 430 Cb 0.02 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1wpg h THR 430 CO 0.00 0.27 0.00 0.11 0.37 0.00 0.00 175.52 176.27 1wpg h LYS 431 N -0.79 0.00 -0.96 6.66 1.57 -1.95 -3.47 116.57 117.63 1wpg h LYS 431 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1wpg h LYS 431 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1wpg h LYS 431 CO 0.03 0.00 -0.20 0.41 -0.57 0.00 0.00 179.45 179.12 1wpg n GLY 432 N 0.86 0.35 3.17 3.86 0.00 0.16 -5.03 105.19 108.56 1wpg n GLY 432 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1wpg n GLY 432 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpg s VAL 433 N -2.39 0.10 0.21 1.61 -7.23 -1.10 -4.98 120.40 106.61 1wpg s VAL 433 Ca 0.00 -1.84 -0.21 0.00 -1.81 0.00 0.00 61.98 58.12 1wpg s VAL 433 Cb 0.00 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 1wpg s VAL 433 CO 0.00 -0.45 0.74 -0.31 -0.31 0.00 0.00 175.10 174.76 1wpg s TYR 434 N -4.04 3.71 0.08 2.82 1.51 -1.26 -0.98 117.35 119.20 1wpg s TYR 434 Ca 0.23 1.45 0.03 0.00 -1.01 0.00 0.00 57.07 57.78 1wpg s TYR 434 Cb 0.07 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1wpg s TYR 434 CO 0.01 0.38 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.53 1wpg s GLU 435 N -1.76 0.78 0.55 -0.62 2.02 0.89 -4.76 118.70 115.80 1wpg s GLU 435 Ca 0.41 -1.08 -0.14 0.00 0.02 0.00 0.00 54.97 54.18 1wpg s GLU 435 Cb -0.18 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.53 1wpg s GLU 435 CO 0.22 0.07 0.99 -1.59 0.02 0.00 0.00 175.26 174.96 1wpg s LYS 436 N -2.60 3.79 -0.30 1.61 -2.85 -1.26 -1.41 119.74 116.72 1wpg s LYS 436 Ca 0.03 0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 55.81 1wpg s LYS 436 Cb -0.04 -2.13 0.10 0.00 -2.06 0.00 0.00 37.83 33.69 1wpg s LYS 436 CO -0.00 -0.37 0.09 0.08 0.10 0.00 0.00 175.35 175.25 1wpg s VAL 437 N -2.83 0.75 0.00 1.79 1.01 -0.67 -4.83 120.40 115.61 1wpg s VAL 437 Ca 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1wpg s VAL 437 Cb -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1wpg s VAL 437 CO 0.40 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1wpg n GLY 438 N 4.91 0.03 3.77 4.51 0.00 -1.26 -1.16 105.19 115.99 1wpg n GLY 438 Ca -0.03 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 1wpg n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpg s GLU 439 N 0.00 4.28 0.23 1.61 0.41 -1.26 -4.93 118.70 119.04 1wpg s GLU 439 Ca 0.00 1.68 -0.06 0.00 -0.41 0.00 0.00 54.97 56.18 1wpg s GLU 439 Cb 0.00 -2.77 0.22 0.00 -1.78 0.00 0.00 34.13 29.79 1wpg s GLU 439 CO 0.00 -0.08 1.82 0.00 -0.49 0.00 0.00 175.26 176.51 1wpg h ALA 440 N 2.93 1.12 0.00 5.21 0.00 -1.96 -0.35 119.26 126.21 1wpg h ALA 440 Ca -0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1wpg h ALA 440 Cb 1.22 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wpg h ALA 440 CO 0.64 0.65 -0.05 1.79 0.00 0.00 0.00 179.25 182.28 1wpg h THR 441 N 1.16 0.13 0.09 0.00 1.35 -1.94 -1.69 112.91 112.00 1wpg h THR 441 Ca 0.27 -0.62 -0.34 0.00 -0.55 0.00 0.00 66.41 65.17 1wpg h THR 441 Cb 0.15 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1wpg h THR 441 CO -0.03 0.05 -1.90 -0.62 -0.25 0.00 0.00 175.52 172.76 1wpg n GLU 442 N -3.17 0.72 0.18 4.72 1.02 -0.90 -3.83 120.64 119.38 1wpg n GLU 442 Ca 0.00 0.28 0.03 0.00 -0.02 0.00 0.00 57.16 57.45 1wpg n GLU 442 Cb 0.32 -1.74 0.40 0.00 -0.02 0.00 0.00 31.44 30.40 1wpg n GLU 442 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1wpg h THR 443 N 0.05 1.21 -0.30 2.62 2.02 -0.88 0.12 112.91 117.75 1wpg h THR 443 Ca -0.38 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1wpg h THR 443 Cb 2.03 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 1wpg h THR 443 CO 0.09 0.29 0.10 0.00 0.37 0.00 0.00 175.52 176.37 1wpg h ALA 444 N 1.67 1.63 -0.28 6.16 0.00 -1.44 0.11 119.26 127.11 1wpg h ALA 444 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1wpg h ALA 444 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wpg h ALA 444 CO 0.04 0.29 -0.53 -0.07 0.00 0.00 0.00 179.25 178.98 1wpg h LEU 445 N 0.42 0.90 -0.28 0.00 4.07 -1.12 -2.21 115.31 117.09 1wpg h LEU 445 Ca 0.10 -0.47 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 1wpg h LEU 445 Cb 0.11 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1wpg h LEU 445 CO -0.01 1.26 0.11 0.74 -1.08 0.00 0.00 178.44 179.46 1wpg h THR 446 N 0.63 1.17 -0.00 0.22 2.02 -0.03 -2.44 112.91 114.49 1wpg h THR 446 Ca 0.02 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.57 1wpg h THR 446 Cb 1.12 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1wpg h THR 446 CO 0.11 0.18 -0.51 0.71 0.37 0.00 0.00 175.52 176.38 1wpg h THR 447 N 0.30 1.37 -0.69 3.16 1.35 -0.85 -2.67 112.91 114.88 1wpg h THR 447 Ca 0.09 -1.75 0.02 0.00 -0.55 0.00 0.00 66.41 64.22 1wpg h THR 447 Cb 0.17 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.49 1wpg h THR 447 CO -0.01 0.50 0.44 0.25 -0.25 0.00 0.00 175.52 176.46 1wpg h LEU 448 N 0.01 0.75 -0.72 3.87 5.85 -1.13 -0.82 115.31 123.12 1wpg h LEU 448 Ca -0.00 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1wpg h LEU 448 Cb 0.91 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1wpg h LEU 448 CO 0.07 0.53 -0.54 -0.37 -0.34 0.00 0.00 178.44 177.79 1wpg h VAL 449 N 0.89 1.36 -0.35 1.05 -1.51 -1.16 0.45 116.25 116.98 1wpg h VAL 449 Ca 0.26 -1.82 -0.03 0.00 -1.23 0.00 0.00 66.70 63.88 1wpg h VAL 449 Cb -0.04 1.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 1wpg h VAL 449 CO -0.08 0.54 0.06 -0.33 -1.23 0.00 0.00 177.57 176.54 1wpg h GLU 450 N 0.22 0.51 -0.01 5.19 4.39 -1.06 -0.31 114.58 123.51 1wpg h GLU 450 Ca 0.00 -0.09 -0.26 0.00 0.34 0.00 0.00 59.36 59.36 1wpg h GLU 450 Cb 1.02 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1wpg h GLU 450 CO 0.09 0.49 -1.00 0.87 -1.16 0.00 0.00 179.01 178.29 1wpg h LYS 451 N 0.50 0.71 -0.51 2.33 1.57 -0.67 -3.30 116.57 117.20 1wpg h LYS 451 Ca 0.12 -0.74 -0.09 0.00 -1.87 0.00 0.00 60.65 58.06 1wpg h LYS 451 Cb 0.23 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1wpg h LYS 451 CO -0.00 1.32 -0.05 0.52 -0.57 0.00 0.00 179.45 180.66 1wpg h MET 452 N 0.39 0.89 -6.92 3.15 2.86 -0.47 -3.44 114.93 111.39 1wpg h MET 452 Ca -0.12 -0.28 -0.59 0.00 -2.06 0.00 0.00 59.70 56.65 1wpg h MET 452 Cb 1.66 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 33.16 1wpg h MET 452 CO 0.20 0.92 -0.99 -1.71 1.06 0.00 0.00 176.91 176.39 1wpg n ASN 453 N -4.18 -2.12 0.11 1.22 2.85 -0.17 -4.37 115.26 108.60 1wpg n ASN 453 Ca 0.02 -1.26 0.19 0.00 -0.11 0.00 0.00 54.58 53.43 1wpg n ASN 453 Cb 0.35 -1.85 0.76 0.00 1.24 0.00 0.00 39.78 40.28 1wpg n ASN 453 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1wpg h VAL 454 N -2.24 0.48 -0.65 3.44 -1.51 -1.90 -0.98 116.25 112.89 1wpg h VAL 454 Ca -0.69 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1wpg h VAL 454 Cb 1.40 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1wpg h VAL 454 CO 0.59 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.42 1wpg n PHE 455 N -3.89 0.95 -3.78 5.19 3.72 -1.26 -3.89 117.46 114.50 1wpg n PHE 455 Ca 0.06 -0.45 -0.26 0.00 -0.05 0.00 0.00 57.45 56.75 1wpg n PHE 455 Cb 0.52 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.07 1wpg n PHE 455 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wpg n ASN 456 N 1.38 -3.52 -4.76 4.37 3.02 -0.37 -4.93 115.26 110.44 1wpg n ASN 456 Ca 0.22 -0.76 -0.40 0.00 -0.03 0.00 0.00 54.58 53.61 1wpg n ASN 456 Cb 0.59 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 1wpg n ASN 456 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wpg s THR 457 N -3.44 3.27 -0.12 3.41 2.01 -1.26 -4.97 115.64 114.54 1wpg s THR 457 Ca 0.38 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 1wpg s THR 457 Cb -0.19 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1wpg s THR 457 CO 0.81 0.29 1.29 -1.83 -0.69 0.00 0.00 174.62 174.48 1wpg s GLU 458 N -1.61 4.26 0.00 4.92 1.03 -1.26 -4.83 118.70 121.21 1wpg s GLU 458 Ca 0.47 1.73 0.00 0.00 0.03 0.00 0.00 54.97 57.20 1wpg s GLU 458 Cb -0.34 -3.72 0.00 0.00 -0.80 0.00 0.00 34.13 29.28 1wpg s GLU 458 CO 0.44 -0.64 0.08 1.33 -1.33 0.00 0.00 175.26 175.14 1wpg n VAL 459 N 5.14 0.00 0.27 1.83 0.24 -1.26 -4.82 118.33 119.73 1wpg n VAL 459 Ca 0.13 -0.21 0.15 0.00 -2.04 0.00 0.00 64.34 62.38 1wpg n VAL 459 Cb 0.45 1.24 0.73 0.00 -1.47 0.00 0.00 33.84 34.79 1wpg n VAL 459 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1wpg h ARG 460 N 0.00 0.00 -0.22 7.34 -0.00 -2.02 -2.64 114.38 116.84 1wpg h ARG 460 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1wpg h ARG 460 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.09 1wpg h ARG 460 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 179.97 180.24 1wpg n ASN 461 N -2.56 3.41 -4.92 0.08 6.94 -1.26 -5.01 115.26 111.94 1wpg n ASN 461 Ca -0.01 -2.82 -0.28 0.00 -0.02 0.00 0.00 54.58 51.46 1wpg n ASN 461 Cb 0.12 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.06 1wpg n ASN 461 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1wpg s LEU 462 N -2.45 4.13 0.73 -4.53 1.43 -1.00 -5.09 118.68 111.90 1wpg s LEU 462 Ca 0.36 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1wpg s LEU 462 Cb 0.28 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 43.17 1wpg s LEU 462 CO 0.09 -0.14 1.08 -0.94 0.23 0.00 0.00 176.35 176.67 1wpg s SER 463 N -3.24 5.11 0.29 2.29 1.04 -1.26 -4.80 113.70 113.14 1wpg s SER 463 Ca 0.41 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1wpg s SER 463 Cb -0.11 -2.21 0.51 0.00 0.10 0.00 0.00 66.02 64.31 1wpg s SER 463 CO 0.30 -1.58 1.89 0.11 0.98 0.00 0.00 173.24 174.94 1wpg h LYS 464 N -0.82 1.03 -0.48 4.02 1.79 -1.98 -0.44 116.57 119.69 1wpg h LYS 464 Ca -0.45 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 57.86 1wpg h LYS 464 Cb 1.24 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1wpg h LYS 464 CO 0.60 0.68 -0.06 -0.39 -1.08 0.00 0.00 179.45 179.19 1wpg h VAL 465 N 1.06 1.27 0.00 0.50 -1.51 -1.92 -2.72 116.25 112.93 1wpg h VAL 465 Ca 0.42 -1.17 -0.17 0.00 -1.23 0.00 0.00 66.70 64.55 1wpg h VAL 465 Cb 0.25 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1wpg h VAL 465 CO -0.17 0.40 -0.82 -0.08 -1.23 0.00 0.00 177.57 175.67 1wpg h GLU 466 N 0.73 0.00 -0.11 5.19 4.81 -1.80 -3.19 114.58 120.21 1wpg h GLU 466 Ca 0.13 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1wpg h GLU 466 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1wpg h GLU 466 CO 0.04 0.82 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.80 1wpg h ARG 467 N 0.00 0.20 -0.95 1.92 9.65 -1.05 -3.22 114.38 120.93 1wpg h ARG 467 Ca -0.01 -0.06 0.25 0.00 -1.10 0.00 0.00 59.98 59.06 1wpg h ARG 467 Cb 1.45 -0.02 -0.18 0.00 -1.39 0.00 0.00 29.97 29.83 1wpg h ARG 467 CO 0.11 0.44 -0.03 0.00 2.80 0.00 0.00 179.97 183.29 1wpg n ALA 468 N -2.48 0.44 -1.63 2.80 0.00 -1.03 -2.04 120.51 116.56 1wpg n ALA 468 Ca -0.01 1.02 0.06 0.00 0.00 0.00 0.00 53.44 54.51 1wpg n ALA 468 Cb 0.35 -0.72 0.10 0.00 0.00 0.00 0.00 19.45 19.18 1wpg n ALA 468 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wpg n ASN 469 N -5.43 1.42 0.08 0.00 3.02 -1.24 -4.67 115.26 108.43 1wpg n ASN 469 Ca 0.21 -2.83 -0.13 0.00 -0.03 0.00 0.00 54.58 51.81 1wpg n ASN 469 Cb 0.69 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1wpg n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpg h ALA 470 N 0.35 -0.53 0.00 5.41 0.00 -1.42 -1.20 119.26 121.87 1wpg h ALA 470 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wpg h ALA 470 Cb 1.23 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1wpg h ALA 470 CO 0.01 -0.86 -0.56 0.00 0.00 0.00 0.00 179.25 177.84 1wpg h ASN 472 N 0.00 0.61 -0.39 0.00 2.35 -1.84 -2.88 115.58 113.44 1wpg h ASN 472 Ca -0.01 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1wpg h ASN 472 Cb 1.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1wpg h ASN 472 CO 0.07 0.92 -0.03 0.28 -1.65 0.00 0.00 177.43 177.02 1wpg h SER 473 N 0.49 0.77 -0.92 5.81 0.02 -1.03 -2.16 113.55 116.52 1wpg h SER 473 Ca 0.05 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1wpg h SER 473 Cb 0.86 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1wpg h SER 473 CO 0.07 0.86 0.60 0.58 -1.14 0.00 0.00 176.83 177.81 1wpg h VAL 474 N 0.74 1.18 -0.40 2.27 2.07 -1.27 -1.73 116.25 119.11 1wpg h VAL 474 Ca 0.14 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1wpg h VAL 474 Cb 0.50 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1wpg h VAL 474 CO 0.03 0.22 -0.17 0.40 0.02 0.00 0.00 177.57 178.06 1wpg h ILE 475 N 1.19 1.26 0.00 4.57 2.04 -1.29 -1.67 117.51 123.62 1wpg h ILE 475 Ca 0.36 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1wpg h ILE 475 Cb -0.04 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1wpg h ILE 475 CO -0.11 0.42 0.00 0.54 0.00 0.00 0.00 178.15 179.00 1wpg n ARG 476 N -4.14 0.09 0.12 2.37 1.74 -0.69 -1.67 116.66 114.48 1wpg n ARG 476 Ca 0.01 0.42 0.03 0.00 -0.77 0.00 0.00 57.85 57.53 1wpg n ARG 476 Cb 0.40 -1.70 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1wpg n ARG 476 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1wpg h GLN 477 N 0.00 0.00 0.09 5.56 1.08 -0.81 -3.36 115.11 117.67 1wpg h GLN 477 Ca 0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 1wpg h GLN 477 Cb 0.20 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1wpg h GLN 477 CO 0.00 0.44 -1.89 -0.07 -0.95 0.00 0.00 178.83 176.35 1wpg h LEU 478 N 0.00 0.31 -8.45 1.46 3.38 -1.32 -3.42 115.31 107.27 1wpg h LEU 478 Ca -0.03 -0.68 -0.58 0.00 0.09 0.00 0.00 57.88 56.67 1wpg h LEU 478 Cb 1.40 -0.10 -0.28 0.00 0.09 0.00 0.00 40.66 41.77 1wpg h LEU 478 CO 0.06 1.61 -0.85 -0.04 0.09 0.00 0.00 178.44 179.31 1wpg s MET 479 N -2.57 1.52 -0.16 1.13 -1.94 -1.05 -0.82 119.30 115.41 1wpg s MET 479 Ca -0.17 -0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 52.99 1wpg s MET 479 Cb 0.07 -1.53 -0.02 0.00 2.01 0.00 0.00 34.83 35.36 1wpg s MET 479 CO 0.79 0.41 -0.07 0.21 -0.01 0.00 0.00 175.02 176.35 1wpg s LYS 480 N -0.73 3.53 -0.20 2.03 2.20 0.64 -4.50 119.74 122.71 1wpg s LYS 480 Ca 0.07 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1wpg s LYS 480 Cb -0.08 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1wpg s LYS 480 CO 0.00 0.15 1.00 0.21 -0.36 0.00 0.00 175.35 176.36 1wpg s LYS 481 N 0.56 4.30 -0.14 4.03 2.20 -1.26 -0.99 119.74 128.44 1wpg s LYS 481 Ca -0.05 1.32 -0.11 0.00 -0.36 0.00 0.00 55.97 56.77 1wpg s LYS 481 Cb -0.15 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 1wpg s LYS 481 CO 0.03 -0.53 0.09 0.93 -0.36 0.00 0.00 175.35 175.52 1wpg h GLU 482 N 7.37 0.00 -3.33 4.03 4.39 -0.81 -3.49 114.58 122.74 1wpg h GLU 482 Ca -0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 1wpg h GLU 482 Cb 1.09 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.66 1wpg h GLU 482 CO 0.93 0.32 0.04 -0.59 -1.16 0.00 0.00 179.01 178.56 1wpg s PHE 483 N -2.03 0.03 0.05 4.33 -0.71 -1.20 -5.02 117.98 113.43 1wpg s PHE 483 Ca -0.13 -0.42 0.06 0.00 -1.04 0.00 0.00 56.93 55.40 1wpg s PHE 483 Cb 0.01 0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1wpg s PHE 483 CO 0.28 -1.05 -0.18 -0.08 -1.34 0.00 0.00 175.22 172.85 1wpg s THR 484 N -3.94 1.45 -0.64 -4.49 -1.32 -1.26 -1.15 115.64 104.29 1wpg s THR 484 Ca 0.15 -1.18 -0.17 0.00 -1.21 0.00 0.00 61.69 59.27 1wpg s THR 484 Cb -0.02 -1.29 0.14 0.00 -1.51 0.00 0.00 72.50 69.81 1wpg s THR 484 CO 0.05 0.07 0.67 -0.76 -2.21 0.00 0.00 174.62 172.44 1wpg s LEU 485 N -1.30 5.93 0.58 9.08 1.43 0.75 -5.00 118.68 130.16 1wpg s LEU 485 Ca 0.05 -1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 51.11 1wpg s LEU 485 Cb -0.09 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1wpg s LEU 485 CO 0.02 -0.91 1.10 -1.84 0.23 0.00 0.00 176.35 174.94 1wpg n GLU 486 N 5.50 1.12 -1.75 1.70 0.00 -1.26 -2.45 120.64 123.50 1wpg n GLU 486 Ca -0.05 0.43 -0.42 0.00 0.00 0.00 0.00 57.16 57.12 1wpg n GLU 486 Cb 0.43 -2.29 -0.01 0.00 0.00 0.00 0.00 31.44 29.57 1wpg n GLU 486 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1wpg n PHE 487 N -1.52 2.82 -4.34 -1.84 -0.00 -1.26 -4.85 117.46 106.48 1wpg n PHE 487 Ca 0.13 0.40 -0.21 0.00 -0.00 0.00 0.00 57.45 57.78 1wpg n PHE 487 Cb 0.46 -2.53 -0.13 0.00 -0.00 0.00 0.00 39.48 37.28 1wpg n PHE 487 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1wpg s SER 488 N 0.05 1.84 0.43 -2.13 1.04 -1.24 -4.57 113.70 109.10 1wpg s SER 488 Ca 0.57 -0.52 0.12 0.00 0.48 0.00 0.00 55.95 56.60 1wpg s SER 488 Cb -0.50 -0.11 0.92 0.00 0.10 0.00 0.00 66.02 66.43 1wpg s SER 488 CO 0.59 0.03 1.98 0.03 0.98 0.00 0.00 173.24 176.84 1wpg h ARG 489 N 4.70 0.15 0.00 4.02 3.08 -1.95 0.13 114.38 124.52 1wpg h ARG 489 Ca -0.40 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 1wpg h ARG 489 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1wpg h ARG 489 CO 0.43 0.26 -0.29 0.38 -1.07 0.00 0.00 179.97 179.68 1wpg h ASP 490 N 0.14 0.00 0.00 7.04 3.04 -1.98 -3.32 116.42 121.35 1wpg h ASP 490 Ca 0.03 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.51 1wpg h ASP 490 Cb 0.28 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.51 1wpg h ASP 490 CO 0.02 0.29 -2.16 -1.14 -2.04 0.00 0.00 179.24 174.20 1wpg n ARG 491 N -3.36 1.16 -3.52 4.15 0.63 -1.04 -5.01 116.66 109.67 1wpg n ARG 491 Ca 0.01 0.01 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 1wpg n ARG 491 Cb 0.50 -1.43 0.04 0.00 0.45 0.00 0.00 32.46 32.03 1wpg n ARG 491 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1wpg n LYS 492 N -2.70 -6.02 -3.98 -0.14 5.02 0.01 -4.84 118.16 105.50 1wpg n LYS 492 Ca -0.29 0.75 -0.09 0.00 -2.02 0.00 0.00 58.31 56.66 1wpg n LYS 492 Cb 1.02 -5.67 -0.05 0.00 -0.02 0.00 0.00 35.03 30.31 1wpg n LYS 492 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wpg s SER 493 N -3.10 -0.10 0.07 4.39 1.04 -1.26 -0.92 113.70 113.82 1wpg s SER 493 Ca 0.52 -0.90 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 1wpg s SER 493 Cb -0.25 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1wpg s SER 493 CO 0.65 -1.17 0.22 -0.32 0.98 0.00 0.00 173.24 173.60 1wpg s MET 494 N -3.99 0.80 0.17 4.02 0.00 0.23 -3.68 119.30 116.85 1wpg s MET 494 Ca 0.21 -0.75 -0.19 0.00 0.00 0.00 0.00 55.69 54.96 1wpg s MET 494 Cb -0.01 0.33 0.04 0.00 0.00 0.00 0.00 34.83 35.19 1wpg s MET 494 CO 0.09 -0.25 0.53 -1.54 0.00 0.00 0.00 175.02 173.85 1wpg s SER 495 N -2.45 -0.36 -0.01 1.11 1.04 -1.02 -1.00 113.70 111.01 1wpg s SER 495 Ca -0.00 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.17 1wpg s SER 495 Cb 0.02 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1wpg s SER 495 CO -0.07 -1.00 -0.09 0.68 0.98 0.00 0.00 173.24 173.74 1wpg s VAL 496 N -3.82 0.73 -0.28 5.02 -7.23 -0.40 -0.17 120.40 114.25 1wpg s VAL 496 Ca 0.05 -0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.67 1wpg s VAL 496 Cb -0.01 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 1wpg s VAL 496 CO -0.08 0.21 0.43 -0.47 -0.31 0.00 0.00 175.10 174.88 1wpg s TYR 497 N -0.19 3.24 0.17 2.82 6.14 -0.30 -1.28 117.35 127.95 1wpg s TYR 497 Ca 0.03 0.44 0.08 0.00 0.64 0.00 0.00 57.07 58.26 1wpg s TYR 497 Cb -0.04 -2.66 -0.04 0.00 0.42 0.00 0.00 41.96 39.64 1wpg s TYR 497 CO -0.00 -0.29 -0.18 0.00 0.64 0.00 0.00 175.55 175.72 1wpg s SER 499 N -2.77 1.70 0.70 0.00 1.04 -0.16 -0.30 113.70 113.91 1wpg s SER 499 Ca 0.17 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 1wpg s SER 499 Cb -0.05 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1wpg s SER 499 CO 0.07 0.02 1.24 -0.81 0.98 0.00 0.00 173.24 174.73 1wpg n PRO 500 N 1.77 0.79 -1.89 4.02 -0.04 -1.26 -0.26 135.00 138.13 1wpg n PRO 500 Ca -0.19 0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 1wpg n PRO 500 Cb 0.55 -2.48 0.04 0.00 -0.04 0.00 0.00 33.50 31.57 1wpg n PRO 500 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpg s ALA 501 N -1.64 2.63 -1.97 0.55 0.00 0.00 -4.68 121.76 116.65 1wpg s ALA 501 Ca 0.79 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1wpg s ALA 501 Cb -0.35 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1wpg s ALA 501 CO 0.44 -1.30 0.52 1.63 0.00 0.00 0.00 175.76 177.05 1wpg n LYS 502 N -1.39 0.00 0.00 0.00 4.76 -1.26 -2.00 118.16 118.27 1wpg n LYS 502 Ca 0.13 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1wpg n LYS 502 Cb 0.48 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1wpg n LYS 502 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1wpg n SER 503 N -1.01 0.09 -4.77 4.39 3.41 -1.26 -5.08 113.62 109.38 1wpg n SER 503 Ca 0.00 -0.38 -0.35 0.00 -0.26 0.00 0.00 58.87 57.88 1wpg n SER 503 Cb 0.00 0.33 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1wpg n SER 503 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wpg s SER 504 N -0.33 5.57 0.00 4.04 1.04 -0.85 -4.92 113.70 118.25 1wpg s SER 504 Ca 0.00 2.22 0.20 0.00 0.48 0.00 0.00 55.95 58.85 1wpg s SER 504 Cb 0.00 -2.58 0.62 0.00 0.10 0.00 0.00 66.02 64.16 1wpg s SER 504 CO 0.00 -1.33 1.48 0.54 0.98 0.00 0.00 173.24 174.91 1wpg n ARG 505 N -1.42 1.89 -1.27 4.02 3.00 -1.26 -4.90 116.66 116.73 1wpg n ARG 505 Ca 0.12 -1.34 -0.33 0.00 -0.01 0.00 0.00 57.85 56.29 1wpg n ARG 505 Cb 0.51 -1.40 0.10 0.00 0.00 0.00 0.00 32.46 31.67 1wpg n ARG 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpg s ALA 506 N -1.69 2.03 0.25 7.54 0.00 -1.26 -4.92 121.76 123.71 1wpg s ALA 506 Ca 0.32 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 1wpg s ALA 506 Cb 0.18 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1wpg s ALA 506 CO 0.26 -2.00 1.67 0.00 0.00 0.00 0.00 175.76 175.68 1wpg n ALA 507 N -3.18 2.73 -1.68 0.00 0.00 -1.26 -4.93 120.51 112.19 1wpg n ALA 507 Ca 0.12 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.57 1wpg n ALA 507 Cb 0.51 -2.50 0.06 0.00 0.00 0.00 0.00 19.45 17.52 1wpg n ALA 507 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wpg n VAL 508 N 3.06 4.31 0.00 0.00 0.31 -1.26 -4.91 118.33 119.83 1wpg n VAL 508 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1wpg n VAL 508 Cb 0.36 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1wpg n VAL 508 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wpg n GLY 509 N 1.08 3.65 3.74 2.92 0.00 -1.26 -5.11 105.19 110.20 1wpg n GLY 509 Ca 0.14 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1wpg n GLY 509 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpg s ASN 510 N 0.00 4.52 0.05 1.61 0.01 -1.26 -4.61 114.94 115.26 1wpg s ASN 510 Ca 0.00 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 54.40 1wpg s ASN 510 Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1wpg s ASN 510 CO 0.00 -2.03 -0.08 -0.54 -1.51 0.00 0.00 177.10 172.93 1wpg s LYS 511 N -3.97 0.57 -0.17 -0.60 -0.14 0.59 -4.39 119.74 111.62 1wpg s LYS 511 Ca 0.72 -0.79 -0.00 0.00 -1.36 0.00 0.00 55.97 54.53 1wpg s LYS 511 Cb -0.26 -0.35 0.00 0.00 -1.68 0.00 0.00 37.83 35.55 1wpg s LYS 511 CO 0.44 0.06 -0.15 -1.64 -0.76 0.00 0.00 175.35 173.30 1wpg s MET 512 N -1.65 3.18 -0.22 1.68 -1.94 -1.12 0.31 119.30 119.54 1wpg s MET 512 Ca -0.09 -0.75 -0.08 0.00 -1.71 0.00 0.00 55.69 53.06 1wpg s MET 512 Cb -0.10 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 1wpg s MET 512 CO 0.00 -0.08 0.09 -0.06 -0.01 0.00 0.00 175.02 174.96 1wpg s PHE 513 N 1.06 3.21 0.01 -0.03 0.08 -0.40 0.16 117.98 122.06 1wpg s PHE 513 Ca -0.01 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.06 1wpg s PHE 513 Cb -0.15 -2.18 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1wpg s PHE 513 CO -0.04 -0.03 -0.12 0.08 -0.10 0.00 0.00 175.22 175.01 1wpg s VAL 514 N 0.94 3.23 -0.02 -0.44 1.01 0.45 -1.28 120.40 124.30 1wpg s VAL 514 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1wpg s VAL 514 Cb -0.14 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1wpg s VAL 514 CO 0.03 0.41 0.04 -0.75 0.00 0.00 0.00 175.10 174.83 1wpg s LYS 515 N -1.29 0.02 0.00 2.72 2.20 -0.17 -0.58 119.74 122.64 1wpg s LYS 515 Ca 0.15 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1wpg s LYS 515 Cb -0.11 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1wpg s LYS 515 CO 0.05 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1wpg n GLY 516 N 3.47 -1.42 3.72 5.54 0.00 -0.91 -0.60 105.19 114.99 1wpg n GLY 516 Ca -0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1wpg n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg s ALA 517 N -1.43 3.93 0.16 4.61 0.00 -0.09 -1.16 121.76 127.79 1wpg s ALA 517 Ca 0.00 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1wpg s ALA 517 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1wpg s ALA 517 CO 0.00 -0.93 1.55 -1.35 0.00 0.00 0.00 175.76 175.02 1wpg h PRO 518 N 6.64 -0.08 -0.18 0.00 0.11 -1.91 -2.83 132.00 133.75 1wpg h PRO 518 Ca -0.43 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1wpg h PRO 518 Cb 1.20 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1wpg h PRO 518 CO 0.95 -0.05 -0.45 0.93 -0.21 0.00 0.00 178.00 179.16 1wpg h GLU 519 N -0.09 -0.47 -0.85 1.05 5.08 -1.99 0.09 114.58 117.41 1wpg h GLU 519 Ca 0.17 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1wpg h GLU 519 Cb 0.48 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1wpg h GLU 519 CO -0.87 -0.31 0.53 0.78 -1.00 0.00 0.00 179.01 178.14 1wpg h GLY 520 N -0.48 1.22 0.67 -3.84 0.00 -1.87 -0.84 103.07 97.92 1wpg h GLY 520 Ca 0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1wpg h GLY 520 CO -0.44 0.48 -0.04 -2.08 0.00 0.00 0.00 176.54 174.45 1wpg h VAL 521 N 1.16 1.33 -0.69 4.60 2.07 -1.23 -2.80 116.25 120.69 1wpg h VAL 521 Ca 0.31 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1wpg h VAL 521 Cb -0.07 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1wpg h VAL 521 CO -0.06 0.30 0.21 0.40 0.02 0.00 0.00 177.57 178.44 1wpg h ILE 522 N -0.21 1.25 -0.50 4.57 2.04 -0.95 -1.70 117.51 122.01 1wpg h ILE 522 Ca 0.02 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.08 1wpg h ILE 522 Cb 0.50 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1wpg h ILE 522 CO 0.01 0.34 0.34 0.44 0.00 0.00 0.00 178.15 179.28 1wpg h ASP 523 N 1.02 0.35 -0.42 1.72 3.45 -1.12 -0.58 116.42 120.84 1wpg h ASP 523 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1wpg h ASP 523 Cb 0.29 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1wpg h ASP 523 CO -0.01 0.23 0.00 0.54 -1.57 0.00 0.00 179.24 178.43 1wpg n ARG 524 N -4.47 2.54 -3.69 3.56 1.74 -0.66 -4.85 116.66 110.82 1wpg n ARG 524 Ca 0.07 -1.75 -0.36 0.00 -0.77 0.00 0.00 57.85 55.04 1wpg n ARG 524 Cb 0.28 -1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 1wpg n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpg n ASN 526 N 4.20 0.83 -4.26 0.00 3.02 -0.43 -4.77 115.26 113.84 1wpg n ASN 526 Ca -0.15 -0.87 -0.14 0.00 -0.03 0.00 0.00 54.58 53.39 1wpg n ASN 526 Cb 0.52 1.04 -0.10 0.00 -0.61 0.00 0.00 39.78 40.63 1wpg n ASN 526 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1wpg s TYR 527 N -2.68 1.30 -0.02 3.10 2.02 -0.84 -0.98 117.35 119.26 1wpg s TYR 527 Ca 0.06 -0.94 0.03 0.00 -0.37 0.00 0.00 57.07 55.85 1wpg s TYR 527 Cb 0.13 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1wpg s TYR 527 CO 0.72 -0.11 -0.09 0.08 -1.57 0.00 0.00 175.55 174.58 1wpg s VAL 528 N -3.53 0.77 -0.01 0.71 1.01 0.58 -0.52 120.40 119.41 1wpg s VAL 528 Ca 0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1wpg s VAL 528 Cb 0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1wpg s VAL 528 CO 0.04 0.24 0.42 -0.60 0.00 0.00 0.00 175.10 175.20 1wpg s ARG 529 N 0.11 3.99 -0.27 2.72 3.52 0.03 -1.18 118.95 127.87 1wpg s ARG 529 Ca -0.02 0.43 -0.02 0.00 -0.13 0.00 0.00 55.73 55.99 1wpg s ARG 529 Cb -0.07 -3.25 0.09 0.00 -1.56 0.00 0.00 34.95 30.16 1wpg s ARG 529 CO 0.00 0.63 0.09 0.08 -0.81 0.00 0.00 175.30 175.29 1wpg s VAL 530 N -0.89 0.54 0.00 7.11 1.01 -0.52 -4.34 120.40 123.31 1wpg s VAL 530 Ca 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1wpg s VAL 530 Cb -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1wpg s VAL 530 CO 0.13 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1wpg n GLY 531 N 5.00 2.08 0.17 4.51 0.00 -1.26 -1.05 105.19 114.64 1wpg n GLY 531 Ca -0.05 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1wpg n GLY 531 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wpg n THR 532 N 0.00 0.00 -2.39 2.61 -2.24 -1.26 -4.14 114.28 106.86 1wpg n THR 532 Ca 0.00 -0.41 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 1wpg n THR 532 Cb 0.00 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1wpg n THR 532 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wpg s THR 533 N -1.22 2.60 -0.01 4.28 -4.23 -0.21 -5.11 115.64 111.73 1wpg s THR 533 Ca 0.06 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 1wpg s THR 533 Cb 0.06 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1wpg s THR 533 CO 0.21 -0.06 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.60 1wpg s ARG 534 N -5.04 0.37 0.14 3.99 3.52 -1.26 -1.44 118.95 119.24 1wpg s ARG 534 Ca 0.58 -0.11 0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1wpg s ARG 534 Cb -0.11 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1wpg s ARG 534 CO 0.42 0.04 -0.06 0.14 -0.81 0.00 0.00 175.30 175.03 1wpg s VAL 535 N 0.15 0.92 0.26 7.11 -7.23 -0.32 -4.96 120.40 116.33 1wpg s VAL 535 Ca -0.01 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 1wpg s VAL 535 Cb -0.04 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1wpg s VAL 535 CO -0.00 -0.71 1.20 -2.16 -0.31 0.00 0.00 175.10 173.12 1wpg s PRO 536 N -3.81 4.50 -0.52 4.82 0.04 -1.26 -0.31 135.00 138.46 1wpg s PRO 536 Ca 0.17 1.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 1wpg s PRO 536 Cb 0.04 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1wpg s PRO 536 CO 0.00 -0.02 1.39 1.41 0.04 0.00 0.00 177.00 179.82 1wpg s MET 537 N -1.12 3.41 0.46 4.56 1.75 -0.15 -4.72 119.30 123.49 1wpg s MET 537 Ca 0.49 0.58 0.04 0.00 -1.25 0.00 0.00 55.69 55.55 1wpg s MET 537 Cb -0.35 -4.08 0.01 0.00 2.84 0.00 0.00 34.83 33.26 1wpg s MET 537 CO 0.43 -1.80 0.65 0.95 -0.65 0.00 0.00 175.02 174.60 1wpg s THR 538 N 5.75 3.21 0.16 10.11 -4.23 -1.26 -4.88 115.64 124.51 1wpg s THR 538 Ca 0.54 -0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 60.11 1wpg s THR 538 Cb -0.11 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.62 1wpg s THR 538 CO 0.28 -0.08 1.80 1.23 -0.54 0.00 0.00 174.62 177.31 1wpg h GLY 539 N 0.42 0.60 0.90 3.99 0.00 -1.95 -0.53 103.07 106.50 1wpg h GLY 539 Ca -0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1wpg h GLY 539 CO 0.51 0.17 0.08 -2.55 0.00 0.00 0.00 176.54 174.75 1wpg h PRO 540 N 0.51 0.30 -0.70 4.80 0.11 -1.92 -1.45 132.00 133.65 1wpg h PRO 540 Ca 0.17 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.30 1wpg h PRO 540 Cb 0.01 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.01 1wpg h PRO 540 CO -0.08 0.35 0.38 0.28 -0.21 0.00 0.00 178.00 178.73 1wpg h VAL 541 N 0.17 0.94 -0.65 3.15 2.07 -1.59 -1.46 116.25 118.88 1wpg h VAL 541 Ca 0.07 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1wpg h VAL 541 Cb 0.16 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1wpg h VAL 541 CO -0.01 0.13 0.28 0.50 0.02 0.00 0.00 177.57 178.49 1wpg h LYS 542 N 0.69 0.94 -0.02 1.57 3.64 -0.83 -2.30 116.57 120.25 1wpg h LYS 542 Ca 0.32 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.42 1wpg h LYS 542 Cb 0.23 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1wpg h LYS 542 CO -0.20 0.75 -0.63 1.05 -2.27 0.00 0.00 179.45 178.14 1wpg h GLU 543 N 0.93 0.09 -0.16 1.90 -0.00 -0.32 -2.19 114.58 114.83 1wpg h GLU 543 Ca 0.22 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.36 59.49 1wpg h GLU 543 Cb 0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 1wpg h GLU 543 CO -0.02 0.69 0.02 -0.22 -0.00 0.00 0.00 179.01 179.48 1wpg h LYS 544 N 0.07 0.27 0.11 1.06 3.11 -0.96 -0.23 116.57 119.99 1wpg h LYS 544 Ca -0.01 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 1wpg h LYS 544 Cb 1.13 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1wpg h LYS 544 CO 0.09 0.46 -0.05 0.82 -2.81 0.00 0.00 179.45 177.96 1wpg h ILE 545 N 0.03 0.94 -0.18 2.00 1.08 -1.38 -1.30 117.51 118.70 1wpg h ILE 545 Ca 0.05 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1wpg h ILE 545 Cb 0.33 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1wpg h ILE 545 CO 0.00 0.04 0.01 -0.07 -0.69 0.00 0.00 178.15 177.45 1wpg h LEU 546 N -0.22 0.23 -0.30 1.44 3.38 -1.39 -1.25 115.31 117.20 1wpg h LEU 546 Ca -0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1wpg h LEU 546 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wpg h LEU 546 CO 0.02 0.27 -0.15 -1.28 0.09 0.00 0.00 178.44 177.39 1wpg h SER 547 N 0.26 0.66 -0.26 -0.43 0.87 -0.64 -0.22 113.55 113.78 1wpg h SER 547 Ca 0.06 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1wpg h SER 547 Cb 0.16 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1wpg h SER 547 CO 0.00 0.92 -0.08 0.58 -0.53 0.00 0.00 176.83 177.72 1wpg h VAL 548 N 0.39 1.29 -0.83 2.23 2.07 -0.84 -2.05 116.25 118.51 1wpg h VAL 548 Ca 0.07 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.50 1wpg h VAL 548 Cb 0.68 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1wpg h VAL 548 CO 0.05 0.35 0.53 0.40 0.02 0.00 0.00 177.57 178.92 1wpg h ILE 549 N 0.25 1.13 -0.80 4.57 2.04 -1.21 -1.04 117.51 122.45 1wpg h ILE 549 Ca 0.06 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1wpg h ILE 549 Cb 0.56 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1wpg h ILE 549 CO 0.03 0.19 0.37 0.50 0.00 0.00 0.00 178.15 179.24 1wpg h LYS 550 N 1.03 1.16 -0.73 2.37 3.64 -0.89 -1.71 116.57 121.44 1wpg h LYS 550 Ca 0.33 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1wpg h LYS 550 Cb 0.01 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1wpg h LYS 550 CO -0.12 0.90 0.23 0.93 -2.27 0.00 0.00 179.45 179.12 1wpg h GLU 551 N 1.14 1.13 0.00 1.90 5.08 -0.51 -2.05 114.58 121.27 1wpg h GLU 551 Ca 0.27 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1wpg h GLU 551 Cb 0.13 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1wpg h GLU 551 CO -0.03 0.96 -0.06 -1.49 -1.00 0.00 0.00 179.01 177.39 1wpg h TRP 552 N 1.08 0.00 -0.31 4.33 4.06 -0.37 -1.56 115.95 123.20 1wpg h TRP 552 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1wpg h TRP 552 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1wpg h TRP 552 CO 0.02 0.06 0.00 0.41 -3.56 0.00 0.00 178.44 175.37 1wpg n GLY 553 N -1.00 0.91 0.00 1.49 0.00 -0.78 -0.55 105.19 105.27 1wpg n GLY 553 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1wpg n GLY 553 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wpg n THR 554 N 0.79 0.00 0.00 2.61 -2.24 -0.96 -4.42 114.28 110.05 1wpg n THR 554 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1wpg n THR 554 Cb 0.42 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1wpg n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 555 N 0.00 -0.72 0.00 3.38 0.00 -0.63 -4.58 105.19 102.65 1wpg n GLY 555 Ca 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.93 1wpg n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpg n ARG 556 N 0.00 0.90 -0.07 1.61 1.74 -1.26 -3.35 116.66 116.23 1wpg n ARG 556 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1wpg n ARG 556 Cb 0.00 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 1wpg n ARG 556 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1wpg h ASP 557 N 0.00 0.00 -6.69 0.55 3.32 -1.85 -3.47 116.42 108.28 1wpg h ASP 557 Ca 0.00 -0.10 -0.53 0.00 0.02 0.00 0.00 57.03 56.42 1wpg h ASP 557 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1wpg h ASP 557 CO 0.00 0.81 -0.98 0.41 -1.72 0.00 0.00 179.24 177.76 1wpg n THR 558 N -4.62 -3.84 -3.97 0.35 -1.04 -1.12 -4.94 114.28 95.09 1wpg n THR 558 Ca -0.09 -0.65 -0.27 0.00 -2.04 0.00 0.00 64.05 61.00 1wpg n THR 558 Cb 0.27 -3.04 -0.04 0.00 -1.82 0.00 0.00 70.33 65.70 1wpg n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1wpg s LEU 559 N -6.89 4.20 -0.17 -4.42 1.43 0.29 -4.86 118.68 108.26 1wpg s LEU 559 Ca 0.44 0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.39 1wpg s LEU 559 Cb -0.21 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 1wpg s LEU 559 CO 0.93 0.08 0.88 -0.13 0.23 0.00 0.00 176.35 178.34 1wpg s ARG 560 N -3.04 4.31 -0.04 1.70 0.52 0.09 -4.18 118.95 118.30 1wpg s ARG 560 Ca 0.34 1.10 0.02 0.00 -0.52 0.00 0.00 55.73 56.67 1wpg s ARG 560 Cb -0.11 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1wpg s ARG 560 CO 0.27 -0.37 -0.09 0.00 0.02 0.00 0.00 175.30 175.13 1wpg s LEU 562 N -0.97 1.96 -0.09 0.00 1.02 -0.47 -4.51 118.68 115.62 1wpg s LEU 562 Ca 0.13 -0.38 -0.12 0.00 0.02 0.00 0.00 54.13 53.78 1wpg s LEU 562 Cb -0.11 -1.05 -0.05 0.00 0.02 0.00 0.00 46.19 45.00 1wpg s LEU 562 CO 0.03 0.18 0.28 0.00 0.02 0.00 0.00 176.35 176.86 1wpg s ALA 563 N -0.06 3.72 -0.06 4.21 0.00 -0.31 -1.96 121.76 127.31 1wpg s ALA 563 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1wpg s ALA 563 Cb -0.11 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1wpg s ALA 563 CO 0.02 0.40 -0.13 -0.51 0.00 0.00 0.00 175.76 175.54 1wpg s LEU 564 N -0.57 2.81 0.18 0.00 1.43 0.13 -2.14 118.68 120.53 1wpg s LEU 564 Ca 0.18 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 1wpg s LEU 564 Cb -0.14 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1wpg s LEU 564 CO 0.07 0.33 0.48 0.00 0.23 0.00 0.00 176.35 177.46 1wpg s ALA 565 N -0.66 -0.86 0.02 4.21 0.00 0.26 -1.29 121.76 123.44 1wpg s ALA 565 Ca 0.10 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1wpg s ALA 565 Cb -0.11 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1wpg s ALA 565 CO 0.01 -0.75 -0.07 0.95 0.00 0.00 0.00 175.76 175.90 1wpg s THR 566 N -3.87 0.48 -0.42 0.00 -4.23 -0.69 0.17 115.64 107.08 1wpg s THR 566 Ca 0.08 -0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 59.69 1wpg s THR 566 Cb 0.00 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 73.37 1wpg s THR 566 CO -0.05 -0.19 0.40 -0.60 -0.54 0.00 0.00 174.62 173.65 1wpg s ARG 567 N -1.01 3.06 0.48 3.99 3.52 0.12 -0.13 118.95 128.98 1wpg s ARG 567 Ca -0.05 -0.86 0.15 0.00 -0.13 0.00 0.00 55.73 54.84 1wpg s ARG 567 Cb -0.07 -3.98 1.13 0.00 -1.56 0.00 0.00 34.95 30.47 1wpg s ARG 567 CO 0.00 -0.84 2.07 -0.44 -0.81 0.00 0.00 175.30 175.28 1wpg h ASP 568 N 8.71 0.00 -2.43 -2.12 3.45 -1.85 -2.97 116.42 119.21 1wpg h ASP 568 Ca -0.27 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.60 1wpg h ASP 568 Cb 1.11 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 39.49 1wpg h ASP 568 CO 0.78 0.10 -0.88 0.41 -1.57 0.00 0.00 179.24 178.08 1wpg n THR 569 N -4.42 -0.17 -0.95 0.35 -1.04 -1.26 -4.85 114.28 101.94 1wpg n THR 569 Ca -0.03 -4.02 -0.31 0.00 -2.04 0.00 0.00 64.05 57.66 1wpg n THR 569 Cb 0.17 -1.87 0.13 0.00 -1.82 0.00 0.00 70.33 66.95 1wpg n THR 569 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wpg s PRO 570 N -0.75 1.58 1.20 -2.82 0.04 -1.25 -5.00 135.00 127.99 1wpg s PRO 570 Ca 0.32 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1wpg s PRO 570 Cb 0.06 -1.80 0.28 0.00 0.04 0.00 0.00 34.50 33.08 1wpg s PRO 570 CO -0.16 -2.19 1.03 -2.14 0.04 0.00 0.00 177.00 173.59 1wpg s PRO 571 N -4.77 -1.15 0.03 0.56 0.02 -1.26 -4.94 135.00 123.49 1wpg s PRO 571 Ca 0.64 0.43 -0.30 0.00 0.02 0.00 0.00 61.00 61.79 1wpg s PRO 571 Cb -0.20 -1.56 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1wpg s PRO 571 CO 0.57 -3.77 1.21 0.15 -0.33 0.00 0.00 177.00 174.83 1wpg s LYS 572 N -4.87 4.40 0.49 5.54 3.01 -1.26 -4.90 119.74 122.14 1wpg s LYS 572 Ca 0.68 1.76 0.28 0.00 -1.01 0.00 0.00 55.97 57.68 1wpg s LYS 572 Cb -0.18 -3.42 1.36 0.00 -1.01 0.00 0.00 37.83 34.57 1wpg s LYS 572 CO 0.60 -0.33 1.82 -0.09 0.51 0.00 0.00 175.35 177.86 1wpg h ARG 573 N 7.05 0.15 0.00 1.68 2.43 -1.96 0.32 114.38 124.05 1wpg h ARG 573 Ca -0.39 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.70 1wpg h ARG 573 Cb 1.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1wpg h ARG 573 CO 0.84 0.10 -0.30 0.93 -1.51 0.00 0.00 179.97 180.03 1wpg h GLU 574 N 0.16 0.00 -0.85 0.20 3.07 -2.04 -2.79 114.58 112.33 1wpg h GLU 574 Ca 0.53 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.20 1wpg h GLU 574 Cb 1.80 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.60 1wpg h GLU 574 CO -0.11 0.30 0.24 0.39 -1.40 0.00 0.00 179.01 178.43 1wpg n GLU 575 N -4.07 2.85 -4.97 2.33 -0.58 0.11 -4.88 120.64 111.45 1wpg n GLU 575 Ca -0.02 -2.23 -0.31 0.00 -0.42 0.00 0.00 57.16 54.19 1wpg n GLU 575 Cb 0.36 -1.95 -0.17 0.00 -0.57 0.00 0.00 31.44 29.10 1wpg n GLU 575 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1wpg s MET 576 N -2.33 2.75 -0.48 3.49 -1.94 -1.06 -4.90 119.30 114.82 1wpg s MET 576 Ca 0.40 -0.77 -0.17 0.00 -1.71 0.00 0.00 55.69 53.45 1wpg s MET 576 Cb 0.32 -2.14 0.07 0.00 2.01 0.00 0.00 34.83 35.10 1wpg s MET 576 CO 0.10 0.10 0.48 0.08 -0.01 0.00 0.00 175.02 175.77 1wpg s VAL 577 N 0.52 5.11 -2.00 -6.03 1.01 -1.26 -4.93 120.40 112.81 1wpg s VAL 577 Ca -0.15 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1wpg s VAL 577 Cb -0.17 -4.18 0.18 0.00 0.00 0.00 0.00 36.38 32.20 1wpg s VAL 577 CO 0.06 -0.65 1.15 0.18 0.00 0.00 0.00 175.10 175.83 1wpg n LEU 578 N 5.54 1.01 -0.03 3.92 4.77 -1.26 -3.65 117.00 127.31 1wpg n LEU 578 Ca -0.10 -0.50 0.09 0.00 -0.03 0.00 0.00 56.01 55.46 1wpg n LEU 578 Cb 0.44 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1wpg n LEU 578 CO 0.50 0.25 -0.03 -0.90 -1.33 0.00 0.00 177.39 175.88 1wpg n ASP 579 N 0.05 0.94 -3.90 -1.43 5.68 -1.26 -4.81 116.55 111.81 1wpg n ASP 579 Ca 0.07 -0.97 -0.30 0.00 -0.50 0.00 0.00 54.79 53.08 1wpg n ASP 579 Cb 0.16 0.97 -0.15 0.00 -1.14 0.00 0.00 41.12 40.96 1wpg n ASP 579 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wpg s ASP 580 N -2.73 4.41 0.19 -1.12 -1.08 -1.24 -4.98 116.67 110.12 1wpg s ASP 580 Ca 0.08 -2.15 0.14 0.00 -0.52 0.00 0.00 52.55 50.09 1wpg s ASP 580 Cb 0.14 -1.36 0.71 0.00 -1.46 0.00 0.00 42.92 40.95 1wpg s ASP 580 CO 0.75 -0.36 1.42 -1.54 0.52 0.00 0.00 175.17 175.96 1wpg n SER 581 N 4.23 0.34 0.00 -0.34 3.41 -1.26 -1.70 113.62 118.29 1wpg n SER 581 Ca 0.03 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 1wpg n SER 581 Cb 0.40 -0.70 0.46 0.00 -0.26 0.00 0.00 64.21 64.11 1wpg n SER 581 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wpg n SER 582 N -1.95 0.00 -0.01 4.04 3.41 -1.26 -2.29 113.62 115.56 1wpg n SER 582 Ca -0.00 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1wpg n SER 582 Cb 0.04 -0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 63.55 1wpg n SER 582 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wpg n ARG 583 N -1.32 0.77 -0.17 4.33 1.74 -0.69 -4.53 116.66 116.79 1wpg n ARG 583 Ca 0.08 -0.11 0.17 0.00 -0.77 0.00 0.00 57.85 57.22 1wpg n ARG 583 Cb 0.16 -1.40 0.52 0.00 -1.02 0.00 0.00 32.46 30.72 1wpg n ARG 583 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1wpg h PHE 584 N 0.00 0.47 -0.76 -1.55 0.05 -1.61 -1.51 116.94 112.04 1wpg h PHE 584 Ca 0.00 0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.81 1wpg h PHE 584 Cb 0.68 -0.15 -0.04 0.00 2.00 0.00 0.00 35.95 38.45 1wpg h PHE 584 CO 0.00 0.17 0.49 1.98 -0.18 0.00 0.00 178.31 180.77 1wpg h MET 585 N 0.39 1.00 -0.63 1.51 4.05 -1.79 -1.66 114.93 117.80 1wpg h MET 585 Ca 0.39 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.66 1wpg h MET 585 Cb 0.94 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 1wpg h MET 585 CO -0.12 0.67 0.09 1.49 0.23 0.00 0.00 176.91 179.27 1wpg h GLU 586 N 1.03 1.04 -0.06 0.39 4.57 -1.59 -2.42 114.58 117.54 1wpg h GLU 586 Ca 0.28 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1wpg h GLU 586 Cb -0.11 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1wpg h GLU 586 CO -0.06 0.97 -0.23 1.88 -1.18 0.00 0.00 179.01 180.39 1wpg h TYR 587 N 0.98 0.10 -1.56 0.92 0.05 -1.21 -3.07 116.97 113.17 1wpg h TYR 587 Ca 0.19 -0.01 -0.73 0.00 0.05 0.00 0.00 58.73 58.23 1wpg h TYR 587 Cb 0.44 -0.03 -0.19 0.00 1.01 0.00 0.00 36.73 37.96 1wpg h TYR 587 CO 0.03 0.33 1.58 0.39 -1.05 0.00 0.00 178.16 179.44 1wpg n GLU 588 N -4.22 4.40 -4.43 4.88 1.02 -0.67 -4.85 120.64 116.76 1wpg n GLU 588 Ca -0.02 -3.69 -0.21 0.00 -0.02 0.00 0.00 57.16 53.22 1wpg n GLU 588 Cb 0.31 -2.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.15 1wpg n GLU 588 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wpg s THR 589 N -2.67 1.52 -1.42 2.62 2.01 -1.16 -4.77 115.64 111.77 1wpg s THR 589 Ca 0.50 -2.09 -0.08 0.00 0.31 0.00 0.00 61.69 60.33 1wpg s THR 589 Cb 0.24 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 70.26 1wpg s THR 589 CO -0.15 -0.23 0.93 -0.67 -0.69 0.00 0.00 174.62 173.81 1wpg n ASP 590 N -0.61 -3.78 -4.92 3.53 2.03 -1.11 -4.94 116.55 106.76 1wpg n ASP 590 Ca -0.05 -0.75 -0.27 0.00 0.52 0.00 0.00 54.79 54.24 1wpg n ASP 590 Cb 0.64 -4.19 0.07 0.00 -0.72 0.00 0.00 41.12 36.92 1wpg n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wpg s LEU 591 N -7.05 2.76 -0.19 -2.67 1.43 -0.76 -4.60 118.68 107.59 1wpg s LEU 591 Ca 0.41 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1wpg s LEU 591 Cb -0.20 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.79 1wpg s LEU 591 CO 0.80 -1.63 -0.18 -0.89 0.23 0.00 0.00 176.35 174.68 1wpg s THR 592 N -3.34 2.07 0.12 5.49 2.01 0.81 -1.32 115.64 121.49 1wpg s THR 592 Ca 0.60 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.24 1wpg s THR 592 Cb -0.11 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 1wpg s THR 592 CO 0.47 0.44 1.28 0.12 -0.69 0.00 0.00 174.62 176.23 1wpg s PHE 593 N 1.26 3.35 -0.13 4.92 2.19 0.32 -1.70 117.98 128.19 1wpg s PHE 593 Ca 0.03 1.20 -0.04 0.00 0.33 0.00 0.00 56.93 58.45 1wpg s PHE 593 Cb -0.14 -3.53 -0.06 0.00 -1.31 0.00 0.00 43.02 37.97 1wpg s PHE 593 CO -0.12 -1.70 -0.15 0.28 1.83 0.00 0.00 175.22 175.36 1wpg n VAL 594 N 3.47 0.72 -1.48 3.12 0.31 -0.41 -0.79 118.33 123.27 1wpg n VAL 594 Ca 0.08 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1wpg n VAL 594 Cb 0.44 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1wpg n VAL 594 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wpg n GLY 595 N 2.42 -1.19 3.07 2.92 0.00 -1.05 -4.19 105.19 107.16 1wpg n GLY 595 Ca -0.25 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1wpg n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wpg s VAL 596 N -2.49 0.66 0.00 1.61 1.01 -0.64 0.21 120.40 120.76 1wpg s VAL 596 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1wpg s VAL 596 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1wpg s VAL 596 CO 0.00 -0.22 -0.18 0.68 0.00 0.00 0.00 175.10 175.38 1wpg s VAL 597 N -1.07 1.40 -0.10 2.92 -7.23 -0.83 -1.61 120.40 113.89 1wpg s VAL 597 Ca -0.05 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1wpg s VAL 597 Cb -0.08 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.68 1wpg s VAL 597 CO 0.01 0.32 -0.17 -0.83 -0.31 0.00 0.00 175.10 174.11 1wpg s GLY 598 N -0.62 1.06 0.23 2.32 0.00 0.35 -1.37 107.32 109.29 1wpg s GLY 598 Ca 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 44.72 44.13 1wpg s GLY 598 CO -0.00 0.04 -0.10 -3.16 0.00 0.00 0.00 173.10 169.88 1wpg s MET 599 N 0.72 1.38 0.18 2.90 0.23 0.05 -1.57 119.30 123.19 1wpg s MET 599 Ca -0.12 -1.65 -0.19 0.00 -1.03 0.00 0.00 55.69 52.70 1wpg s MET 599 Cb -0.16 -1.05 0.04 0.00 -1.53 0.00 0.00 34.83 32.13 1wpg s MET 599 CO 0.03 0.10 0.54 -0.48 -2.03 0.00 0.00 175.02 173.18 1wpg s LEU 600 N -3.35 -0.10 -0.63 0.18 2.34 -0.55 -0.73 118.68 115.85 1wpg s LEU 600 Ca 0.25 -0.31 -0.21 0.00 0.06 0.00 0.00 54.13 53.92 1wpg s LEU 600 Cb 0.02 2.29 0.08 0.00 -0.56 0.00 0.00 46.19 48.02 1wpg s LEU 600 CO 0.08 -1.02 0.84 -0.62 -1.06 0.00 0.00 176.35 174.58 1wpg s ASP 601 N -2.83 6.18 0.41 1.48 2.15 -1.26 -1.04 116.67 121.76 1wpg s ASP 601 Ca 0.06 -1.18 -0.24 0.00 0.43 0.00 0.00 52.55 51.62 1wpg s ASP 601 Cb -0.01 -2.37 -0.09 0.00 -0.30 0.00 0.00 42.92 40.16 1wpg s ASP 601 CO -0.07 -1.29 1.06 -2.16 -0.17 0.00 0.00 175.17 172.55 1wpg s PRO 602 N 3.44 4.12 0.59 4.34 0.04 -1.26 -4.81 135.00 141.45 1wpg s PRO 602 Ca 0.17 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 1wpg s PRO 602 Cb -0.20 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1wpg s PRO 602 CO 0.09 -0.19 1.14 -1.25 0.04 0.00 0.00 177.00 176.82 1wpg s PRO 603 N -2.52 3.10 0.60 0.56 0.04 -1.26 -1.05 135.00 134.46 1wpg s PRO 603 Ca 0.58 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 1wpg s PRO 603 Cb -0.23 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1wpg s PRO 603 CO 0.29 -1.05 1.15 1.03 0.04 0.00 0.00 177.00 178.46 1wpg s ARG 604 N -3.54 3.03 0.18 4.56 0.52 -0.24 -4.71 118.95 118.73 1wpg s ARG 604 Ca 0.72 1.64 -0.14 0.00 -0.52 0.00 0.00 55.73 57.43 1wpg s ARG 604 Cb -0.24 -1.96 0.13 0.00 0.52 0.00 0.00 34.95 33.40 1wpg s ARG 604 CO 0.33 -1.12 1.77 0.87 0.02 0.00 0.00 175.30 177.17 1wpg h LYS 605 N 0.74 0.40 0.00 3.54 1.57 -1.94 -2.99 116.57 117.89 1wpg h LYS 605 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1wpg h LYS 605 Cb 1.27 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1wpg h LYS 605 CO 0.55 0.26 0.00 1.05 -0.57 0.00 0.00 179.45 180.75 1wpg h GLU 606 N 0.41 0.00 -0.75 3.15 9.09 -1.98 -3.38 114.58 121.13 1wpg h GLU 606 Ca 0.21 0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.74 1wpg h GLU 606 Cb 0.17 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 27.14 1wpg h GLU 606 CO -0.18 0.00 -0.39 0.28 0.05 0.00 0.00 179.01 178.77 1wpg h VAL 607 N 0.00 0.08 -0.20 -1.06 2.07 -1.87 -1.27 116.25 114.01 1wpg h VAL 607 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1wpg h VAL 607 Cb 0.68 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1wpg h VAL 607 CO 0.00 0.00 -0.04 -0.03 0.02 0.00 0.00 177.57 177.52 1wpg h MET 608 N -0.11 0.01 -0.59 1.57 1.85 -1.75 -0.77 114.93 115.14 1wpg h MET 608 Ca 0.26 -0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.38 1wpg h MET 608 Cb 0.56 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.55 1wpg h MET 608 CO -0.80 0.01 0.34 0.78 -0.40 0.00 0.00 176.91 176.84 1wpg h GLY 609 N 0.01 0.85 1.38 1.39 0.00 -1.67 -2.16 103.07 102.86 1wpg h GLY 609 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wpg h GLY 609 CO -0.19 0.18 0.34 1.76 0.00 0.00 0.00 176.54 178.63 1wpg h SER 610 N 0.66 0.73 -0.62 0.19 0.02 -0.74 -2.09 113.55 111.69 1wpg h SER 610 Ca 0.25 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1wpg h SER 610 Cb 0.09 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1wpg h SER 610 CO -0.13 0.58 0.12 0.40 -1.14 0.00 0.00 176.83 176.66 1wpg h ILE 611 N 0.83 1.26 -0.40 3.27 1.08 -0.52 -2.12 117.51 120.91 1wpg h ILE 611 Ca 0.21 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1wpg h ILE 611 Cb 0.01 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1wpg h ILE 611 CO -0.04 0.37 0.20 -0.61 -0.69 0.00 0.00 178.15 177.38 1wpg h GLN 612 N 0.98 0.56 -0.82 2.37 5.75 -1.00 -1.51 115.11 121.45 1wpg h GLN 612 Ca 0.20 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1wpg h GLN 612 Cb 0.39 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 1wpg h GLN 612 CO 0.01 0.48 0.54 -0.07 -2.65 0.00 0.00 178.83 177.13 1wpg h LEU 613 N 0.51 0.94 -0.59 -2.39 3.38 -1.21 0.46 115.31 116.42 1wpg h LEU 613 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wpg h LEU 613 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1wpg h LEU 613 CO -0.02 0.69 0.37 0.00 0.09 0.00 0.00 178.44 179.57 1wpg h ARG 615 N 0.80 1.18 -0.20 0.00 2.43 -0.49 0.21 114.38 118.32 1wpg h ARG 615 Ca 0.21 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1wpg h ARG 615 Cb -0.05 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1wpg h ARG 615 CO -0.04 0.81 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.74 1wpg h ASP 616 N 1.20 0.28 -0.28 -3.80 3.32 -0.29 -0.83 116.42 116.03 1wpg h ASP 616 Ca 0.32 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1wpg h ASP 616 Cb -0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1wpg h ASP 616 CO -0.06 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1wpg n ALA 617 N -2.49 2.66 -2.02 3.45 0.00 -0.41 -4.55 120.51 117.15 1wpg n ALA 617 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1wpg n ALA 617 Cb 0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1wpg n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpg n GLY 618 N 0.73 0.22 3.47 0.00 0.00 -0.32 -3.91 105.19 105.39 1wpg n GLY 618 Ca 0.10 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1wpg n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wpg s ILE 619 N -2.58 3.93 0.31 -0.61 1.01 0.62 -4.63 121.20 119.25 1wpg s ILE 619 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1wpg s ILE 619 Cb 0.00 -2.76 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 1wpg s ILE 619 CO 0.00 0.45 0.67 -0.60 0.00 0.00 0.00 174.94 175.46 1wpg s ARG 620 N 0.74 3.86 -0.14 2.79 3.52 -0.23 -3.43 118.95 126.06 1wpg s ARG 620 Ca -0.01 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1wpg s ARG 620 Cb -0.14 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.76 1wpg s ARG 620 CO 0.02 0.17 -0.18 0.08 -0.81 0.00 0.00 175.30 174.58 1wpg s VAL 621 N -2.02 1.79 -0.13 7.11 1.01 -1.26 0.16 120.40 127.06 1wpg s VAL 621 Ca 0.51 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1wpg s VAL 621 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1wpg s VAL 621 CO 0.22 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 175.02 1wpg s ILE 622 N 1.16 2.68 -0.15 2.22 1.01 0.02 -4.87 121.20 123.27 1wpg s ILE 622 Ca -0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 1wpg s ILE 622 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1wpg s ILE 622 CO -0.07 0.53 0.59 -0.32 0.00 0.00 0.00 174.94 175.68 1wpg s MET 623 N 0.43 4.29 -0.26 2.79 -2.45 0.55 0.46 119.30 125.11 1wpg s MET 623 Ca -0.12 0.60 0.01 0.00 -1.25 0.00 0.00 55.69 54.93 1wpg s MET 623 Cb -0.16 -3.51 0.07 0.00 1.25 0.00 0.00 34.83 32.47 1wpg s MET 623 CO 0.06 -0.07 -0.01 0.42 1.05 0.00 0.00 175.02 176.46 1wpg s ILE 624 N 1.34 1.47 0.06 10.11 1.01 0.66 -0.18 121.20 135.67 1wpg s ILE 624 Ca 0.29 -1.36 0.05 0.00 0.00 0.00 0.00 60.65 59.63 1wpg s ILE 624 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1wpg s ILE 624 CO 0.12 -0.26 -0.13 0.28 0.00 0.00 0.00 174.94 174.95 1wpg s THR 625 N 1.39 1.00 -0.98 2.92 -1.32 0.93 -4.05 115.64 115.53 1wpg s THR 625 Ca -0.01 -1.24 0.28 0.00 -1.21 0.00 0.00 61.69 59.51 1wpg s THR 625 Cb -0.19 -0.98 0.22 0.00 -1.51 0.00 0.00 72.50 70.05 1wpg s THR 625 CO -0.09 -0.24 1.88 0.61 -2.21 0.00 0.00 174.62 174.56 1wpg n GLY 626 N 1.36 -1.49 3.68 6.08 0.00 -1.25 -2.32 105.19 111.25 1wpg n GLY 626 Ca -0.21 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1wpg n GLY 626 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wpg s ASP 627 N -3.08 2.14 0.60 1.61 -1.08 -1.26 -3.85 116.67 111.74 1wpg s ASP 627 Ca 0.14 0.87 -0.15 0.00 -0.52 0.00 0.00 52.55 52.88 1wpg s ASP 627 Cb 0.19 -1.32 -0.03 0.00 -1.46 0.00 0.00 42.92 40.29 1wpg s ASP 627 CO 0.55 -3.40 1.06 0.20 0.52 0.00 0.00 175.17 174.10 1wpg s ASN 628 N -3.82 5.71 0.15 -0.34 0.01 -1.26 -0.53 114.94 114.86 1wpg s ASN 628 Ca 0.68 1.83 -0.17 0.00 -0.71 0.00 0.00 52.86 54.48 1wpg s ASN 628 Cb -0.14 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.03 1wpg s ASN 628 CO 0.56 -1.22 1.72 0.50 -1.51 0.00 0.00 177.10 177.15 1wpg h LYS 629 N 0.37 0.12 -0.31 -0.60 3.64 -1.95 -1.10 116.57 116.75 1wpg h LYS 629 Ca -0.47 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1wpg h LYS 629 Cb 1.22 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1wpg h LYS 629 CO 0.57 0.08 -0.37 0.78 -2.27 0.00 0.00 179.45 178.24 1wpg h GLY 630 N 0.13 -0.45 2.00 5.01 0.00 -2.00 -0.04 103.07 107.71 1wpg h GLY 630 Ca 0.15 0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.84 1wpg h GLY 630 CO -0.22 -0.21 -0.53 -0.91 0.00 0.00 0.00 176.54 174.68 1wpg h THR 631 N -0.34 1.02 -0.60 4.70 1.35 -1.86 -2.57 112.91 114.61 1wpg h THR 631 Ca 0.13 -2.09 -0.02 0.00 -0.55 0.00 0.00 66.41 63.87 1wpg h THR 631 Cb 0.57 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 1wpg h THR 631 CO -0.49 0.52 0.28 0.00 -0.25 0.00 0.00 175.52 175.57 1wpg h ALA 632 N 1.47 0.78 -0.23 6.62 0.00 -0.47 -1.26 119.26 126.18 1wpg h ALA 632 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1wpg h ALA 632 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wpg h ALA 632 CO 0.07 0.35 -0.07 0.82 0.00 0.00 0.00 179.25 180.42 1wpg h ILE 633 N 0.82 1.29 -0.70 0.00 2.04 -0.96 -1.55 117.51 118.45 1wpg h ILE 633 Ca 0.21 -1.09 0.08 0.00 1.00 0.00 0.00 64.86 65.05 1wpg h ILE 633 Cb 0.13 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1wpg h ILE 633 CO -0.02 0.34 0.46 0.00 0.00 0.00 0.00 178.15 178.92 1wpg h ALA 634 N 0.74 1.79 -0.07 1.87 0.00 -1.24 0.64 119.26 122.98 1wpg h ALA 634 Ca 0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1wpg h ALA 634 Cb 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wpg h ALA 634 CO 0.03 0.09 -0.87 0.82 0.00 0.00 0.00 179.25 179.31 1wpg h ILE 635 N 0.66 1.32 -0.74 0.00 1.08 -1.15 -2.03 117.51 116.64 1wpg h ILE 635 Ca 0.31 -2.16 0.04 0.00 -0.39 0.00 0.00 64.86 62.66 1wpg h ILE 635 Cb 0.35 2.18 -0.04 0.00 -3.07 0.00 0.00 36.82 36.24 1wpg h ILE 635 CO -0.10 0.67 0.49 0.00 -0.69 0.00 0.00 178.15 178.51 1wpg h ARG 637 N 0.89 0.74 -0.26 0.00 3.08 -0.85 0.59 114.38 118.58 1wpg h ARG 637 Ca 0.30 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1wpg h ARG 637 Cb 0.07 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1wpg h ARG 637 CO -0.09 1.15 -0.02 0.00 -1.07 0.00 0.00 179.97 179.94 1wpg h ARG 638 N 0.46 0.39 -0.34 0.04 3.08 -0.60 -2.95 114.38 114.46 1wpg h ARG 638 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1wpg h ARG 638 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1wpg h ARG 638 CO 0.12 0.44 0.00 0.44 -1.07 0.00 0.00 179.97 179.90 1wpg n ILE 639 N -4.31 0.44 -0.78 2.04 -5.35 -0.28 -4.91 119.36 106.22 1wpg n ILE 639 Ca 0.01 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1wpg n ILE 639 Cb 0.23 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1wpg n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wpg n GLY 640 N 1.43 0.54 0.08 3.28 0.00 -0.96 -4.30 105.19 105.26 1wpg n GLY 640 Ca 0.19 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1wpg n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wpg h ILE 641 N 0.00 1.40 -3.93 -0.61 2.04 -1.17 -3.45 117.51 111.79 1wpg h ILE 641 Ca 0.00 -3.13 -0.54 0.00 1.00 0.00 0.00 64.86 62.19 1wpg h ILE 641 Cb 0.00 2.73 -0.22 0.00 -0.74 0.00 0.00 36.82 38.59 1wpg h ILE 641 CO 0.00 0.82 -0.82 -0.36 0.00 0.00 0.00 178.15 177.79 1wpg s PHE 642 N -2.66 1.71 0.68 1.37 2.99 -0.89 -4.99 117.98 116.18 1wpg s PHE 642 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 56.93 56.36 1wpg s PHE 642 Cb 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 43.02 42.17 1wpg s PHE 642 CO 0.83 0.18 1.06 0.20 -0.00 0.00 0.00 175.22 177.50 1wpg s GLY 643 N -1.89 1.79 0.29 4.36 0.00 -1.26 -4.22 107.32 106.39 1wpg s GLY 643 Ca 0.05 0.19 0.03 0.00 0.00 0.00 0.00 44.72 45.00 1wpg s GLY 643 CO 0.04 0.51 1.75 0.83 0.00 0.00 0.00 173.10 176.23 1wpg h GLU 644 N -0.46 0.62 0.00 2.90 4.39 -1.97 -2.73 114.58 117.33 1wpg h GLU 644 Ca -0.45 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 1wpg h GLU 644 Cb 1.22 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.64 1wpg h GLU 644 CO 0.56 0.41 -0.57 0.09 -1.16 0.00 0.00 179.01 178.34 1wpg n ASN 645 N -4.86 1.56 -4.80 1.42 3.02 -1.26 -5.07 115.26 105.27 1wpg n ASN 645 Ca 0.21 -3.37 -0.34 0.00 -0.03 0.00 0.00 54.58 51.05 1wpg n ASN 645 Cb 0.55 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1wpg n ASN 645 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1wpg s GLU 646 N -2.42 3.73 -0.24 3.52 2.12 -1.03 -5.01 118.70 119.38 1wpg s GLU 646 Ca 0.36 1.30 -0.18 0.00 0.36 0.00 0.00 54.97 56.80 1wpg s GLU 646 Cb 0.36 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 1wpg s GLU 646 CO -0.08 -0.48 0.54 -2.00 -0.54 0.00 0.00 175.26 172.70 1wpg s GLU 647 N -3.43 4.12 -0.06 4.30 2.56 -1.26 -4.90 118.70 120.03 1wpg s GLU 647 Ca 0.66 0.39 0.10 0.00 0.00 0.00 0.00 54.97 56.12 1wpg s GLU 647 Cb -0.16 -3.62 0.25 0.00 2.00 0.00 0.00 34.13 32.61 1wpg s GLU 647 CO 0.23 -0.29 1.19 1.33 -0.56 0.00 0.00 175.26 177.16 1wpg n VAL 648 N 4.94 1.44 -0.35 3.70 0.24 -1.26 -4.74 118.33 122.30 1wpg n VAL 648 Ca -0.04 -1.43 0.25 0.00 -2.04 0.00 0.00 64.34 61.08 1wpg n VAL 648 Cb 0.50 0.20 0.50 0.00 -1.47 0.00 0.00 33.84 33.56 1wpg n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wpg h ALA 649 N 0.95 2.10 -0.24 2.33 0.00 -1.92 0.13 119.26 122.60 1wpg h ALA 649 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1wpg h ALA 649 Cb 0.86 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1wpg h ALA 649 CO 0.04 -0.66 -0.01 -0.40 0.00 0.00 0.00 179.25 178.22 1wpg n ASP 650 N -4.91 3.45 0.00 0.00 5.75 -1.26 -4.49 116.55 115.10 1wpg n ASP 650 Ca 0.31 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 1wpg n ASP 650 Cb 1.01 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1wpg n ASP 650 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wpg n ARG 651 N -0.74 -0.48 -3.75 0.11 1.74 0.39 -4.48 116.66 109.44 1wpg n ARG 651 Ca 0.23 -0.42 -0.16 0.00 -0.77 0.00 0.00 57.85 56.73 1wpg n ARG 651 Cb 0.88 -0.85 -0.16 0.00 -1.02 0.00 0.00 32.46 31.31 1wpg n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpg s ALA 652 N -0.05 0.09 0.05 7.54 0.00 -0.86 -0.88 121.76 127.64 1wpg s ALA 652 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1wpg s ALA 652 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1wpg s ALA 652 CO 0.00 -0.19 -0.05 0.71 0.00 0.00 0.00 175.76 176.23 1wpg s TYR 653 N 1.29 0.58 0.60 0.00 2.02 0.07 -4.88 117.35 117.03 1wpg s TYR 653 Ca -0.06 -0.68 -0.06 0.00 -0.37 0.00 0.00 57.07 55.89 1wpg s TYR 653 Cb -0.13 -0.37 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 1wpg s TYR 653 CO -0.03 -0.17 0.91 0.95 -1.57 0.00 0.00 175.55 175.64 1wpg s THR 654 N -2.26 3.62 0.31 -0.71 -4.23 -1.26 -0.17 115.64 110.93 1wpg s THR 654 Ca -0.05 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1wpg s THR 654 Cb -0.04 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.62 1wpg s THR 654 CO -0.03 -0.47 1.97 1.23 -0.54 0.00 0.00 174.62 176.79 1wpg h GLY 655 N -0.21 1.14 0.86 3.99 0.00 -0.79 -1.73 103.07 106.33 1wpg h GLY 655 Ca -0.45 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.40 1wpg h GLY 655 CO 0.61 0.40 -0.06 3.21 0.00 0.00 0.00 176.54 180.69 1wpg h ARG 656 N 1.07 0.51 -0.95 4.80 2.47 -1.84 -0.73 114.38 119.71 1wpg h ARG 656 Ca 0.30 -0.20 0.08 0.00 -1.26 0.00 0.00 59.98 58.91 1wpg h ARG 656 Cb -0.08 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.14 1wpg h ARG 656 CO -0.07 0.72 0.60 0.93 0.56 0.00 0.00 179.97 182.71 1wpg h GLU 657 N 0.27 1.01 -0.47 0.04 5.08 -1.87 0.57 114.58 119.21 1wpg h GLU 657 Ca 0.07 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1wpg h GLU 657 Cb 0.53 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1wpg h GLU 657 CO 0.03 0.67 0.09 0.35 -1.00 0.00 0.00 179.01 179.14 1wpg h PHE 658 N 1.04 0.81 -0.22 4.33 3.04 -1.08 -2.76 116.94 122.09 1wpg h PHE 658 Ca 0.43 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 1wpg h PHE 658 Cb 0.28 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1wpg h PHE 658 CO -0.02 0.74 -0.02 -0.44 -2.02 0.00 0.00 178.31 176.56 1wpg h ASP 659 N 0.63 0.31 0.99 0.41 3.32 0.13 -2.68 116.42 119.54 1wpg h ASP 659 Ca 0.14 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1wpg h ASP 659 Cb 0.36 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1wpg h ASP 659 CO 0.01 0.38 -0.29 0.44 -1.72 0.00 0.00 179.24 178.06 1wpg h ASP 660 N 0.33 0.00 -4.01 6.45 3.32 -0.66 -3.45 116.42 118.40 1wpg h ASP 660 Ca 0.07 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.58 1wpg h ASP 660 Cb 0.26 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.93 1wpg h ASP 660 CO 0.01 0.29 0.68 -0.76 -1.72 0.00 0.00 179.24 177.74 1wpg s LEU 661 N -6.81 4.04 0.37 1.55 1.43 -1.01 -4.90 118.68 113.35 1wpg s LEU 661 Ca 0.01 2.88 -0.28 0.00 -1.03 0.00 0.00 54.13 55.71 1wpg s LEU 661 Cb 0.10 -4.03 -0.11 0.00 0.03 0.00 0.00 46.19 42.18 1wpg s LEU 661 CO 0.66 -1.29 1.50 -2.16 0.23 0.00 0.00 176.35 175.29 1wpg s PRO 662 N -2.58 4.11 0.41 1.29 0.04 -1.26 -4.68 135.00 132.33 1wpg s PRO 662 Ca 0.64 2.58 0.36 0.00 0.04 0.00 0.00 61.00 64.62 1wpg s PRO 662 Cb -0.43 -2.97 1.31 0.00 0.04 0.00 0.00 34.50 32.45 1wpg s PRO 662 CO 0.54 -0.55 1.21 -0.11 0.04 0.00 0.00 177.00 178.13 1wpg n LEU 663 N 0.64 0.03 0.04 -3.56 7.94 -1.26 -0.32 117.00 120.51 1wpg n LEU 663 Ca 0.02 0.83 -0.10 0.00 -1.11 0.00 0.00 56.01 55.64 1wpg n LEU 663 Cb 0.39 -0.41 -0.08 0.00 0.53 0.00 0.00 43.42 43.85 1wpg n LEU 663 CO 0.64 -0.85 0.38 0.00 -1.11 0.00 0.00 177.39 176.45 1wpg h ALA 664 N 0.86 -0.19 0.00 1.96 0.00 -2.02 -3.32 119.26 116.55 1wpg h ALA 664 Ca 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1wpg h ALA 664 Cb 2.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.66 1wpg h ALA 664 CO -0.08 -0.27 0.00 0.93 0.00 0.00 0.00 179.25 179.84 1wpg h GLU 665 N -0.87 0.00 -0.09 0.00 5.08 -1.01 -3.03 114.58 114.66 1wpg h GLU 665 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1wpg h GLU 665 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wpg h GLU 665 CO 0.03 0.00 0.04 1.96 -1.00 0.00 0.00 179.01 180.04 1wpg h GLN 666 N 0.00 0.14 -0.61 2.33 4.20 -1.55 0.11 115.11 119.72 1wpg h GLN 666 Ca 0.00 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1wpg h GLN 666 Cb 0.30 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1wpg h GLN 666 CO 0.00 0.27 0.36 -0.09 -0.67 0.00 0.00 178.83 178.70 1wpg h ARG 667 N -0.02 0.67 -0.45 1.46 2.43 -1.68 -1.91 114.38 114.90 1wpg h ARG 667 Ca 0.03 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1wpg h ARG 667 Cb 0.18 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1wpg h ARG 667 CO -0.00 0.44 0.03 1.49 -1.51 0.00 0.00 179.97 180.42 1wpg h GLU 668 N 0.69 0.77 -0.82 0.20 4.57 -1.57 -2.70 114.58 115.71 1wpg h GLU 668 Ca 0.26 -0.23 0.15 0.00 -1.18 0.00 0.00 59.36 58.36 1wpg h GLU 668 Cb 0.08 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1wpg h GLU 668 CO -0.13 0.81 0.54 0.00 -1.18 0.00 0.00 179.01 179.06 1wpg h ALA 669 N 0.92 2.02 0.00 2.92 0.00 -0.12 0.25 119.26 125.26 1wpg h ALA 669 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1wpg h ALA 669 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wpg h ALA 669 CO 0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 179.25 178.88 1wpg n ARG 671 N -3.53 0.31 -0.10 0.00 1.74 0.82 -4.43 116.66 111.47 1wpg n ARG 671 Ca -0.01 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 1wpg n ARG 671 Cb 0.27 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 1wpg n ARG 671 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1wpg n ARG 672 N -2.09 0.46 -2.64 5.56 0.63 -0.79 -5.03 116.66 112.76 1wpg n ARG 672 Ca 0.03 0.13 -0.37 0.00 -0.92 0.00 0.00 57.85 56.72 1wpg n ARG 672 Cb 0.44 -1.33 -0.05 0.00 0.45 0.00 0.00 32.46 31.97 1wpg n ARG 672 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wpg s ALA 673 N -2.37 3.17 -0.06 5.13 0.00 0.20 -4.85 121.76 122.97 1wpg s ALA 673 Ca -0.26 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1wpg s ALA 673 Cb 0.08 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1wpg s ALA 673 CO 0.41 -0.04 0.69 0.00 0.00 0.00 0.00 175.76 176.82 1wpg s PHE 676 N 2.19 2.05 0.37 0.00 0.40 0.75 -0.75 117.98 122.99 1wpg s PHE 676 Ca 0.00 -1.02 0.06 0.00 -0.60 0.00 0.00 56.93 55.37 1wpg s PHE 676 Cb -0.12 -1.48 -0.07 0.00 0.51 0.00 0.00 43.02 41.86 1wpg s PHE 676 CO -0.08 -0.54 0.02 0.00 0.70 0.00 0.00 175.22 175.33 1wpg s ALA 677 N 1.13 2.86 -1.56 5.36 0.00 0.75 -0.05 121.76 130.26 1wpg s ALA 677 Ca -0.03 -2.20 -0.13 0.00 0.00 0.00 0.00 51.96 49.60 1wpg s ALA 677 Cb -0.14 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.40 1wpg s ALA 677 CO -0.04 -0.18 0.84 0.54 0.00 0.00 0.00 175.76 176.92 1wpg n ARG 678 N -0.85 -4.50 -3.18 0.00 1.74 0.31 -0.34 116.66 109.83 1wpg n ARG 678 Ca -0.04 0.51 -0.29 0.00 -0.77 0.00 0.00 57.85 57.26 1wpg n ARG 678 Cb 0.67 -5.24 -0.03 0.00 -1.02 0.00 0.00 32.46 26.84 1wpg n ARG 678 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wpg s VAL 679 N -3.40 4.96 0.31 1.55 1.01 -1.12 -3.84 120.40 119.88 1wpg s VAL 679 Ca 0.56 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.80 1wpg s VAL 679 Cb -0.29 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1wpg s VAL 679 CO 0.87 -0.41 0.27 -1.61 0.00 0.00 0.00 175.10 174.22 1wpg s GLU 680 N -3.71 2.78 0.30 2.72 2.02 -1.26 -4.50 118.70 117.04 1wpg s GLU 680 Ca 0.46 -1.23 0.05 0.00 0.02 0.00 0.00 54.97 54.27 1wpg s GLU 680 Cb -0.11 -2.50 0.75 0.00 0.10 0.00 0.00 34.13 32.37 1wpg s GLU 680 CO 0.31 0.18 1.74 -1.35 0.02 0.00 0.00 175.26 176.16 1wpg h PRO 681 N 1.31 0.60 -0.90 0.39 0.11 -1.78 -0.86 132.00 130.88 1wpg h PRO 681 Ca -0.46 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1wpg h PRO 681 Cb 1.25 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1wpg h PRO 681 CO 0.59 0.40 0.60 0.77 -0.21 0.00 0.00 178.00 180.14 1wpg h SER 682 N 0.62 1.02 -0.77 -2.05 0.02 -1.95 -2.70 113.55 107.74 1wpg h SER 682 Ca 0.58 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.59 1wpg h SER 682 Cb 0.99 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 1wpg h SER 682 CO -0.44 0.73 0.50 0.45 -1.14 0.00 0.00 176.83 176.93 1wpg h HIS 683 N 1.20 0.76 -0.02 3.45 3.86 -1.53 -0.93 115.15 121.93 1wpg h HIS 683 Ca 0.34 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1wpg h HIS 683 Cb -0.10 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.12 1wpg h HIS 683 CO -0.00 0.37 -0.01 0.87 0.86 0.00 0.00 177.93 180.02 1wpg h LYS 684 N 0.72 0.05 -0.53 2.45 1.57 -1.50 -0.74 116.57 118.60 1wpg h LYS 684 Ca 0.35 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1wpg h LYS 684 Cb 0.40 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1wpg h LYS 684 CO -0.13 0.45 0.15 0.66 -0.57 0.00 0.00 179.45 180.01 1wpg h SER 685 N -0.35 0.74 -0.49 0.86 4.64 -1.52 -1.04 113.55 116.38 1wpg h SER 685 Ca 0.01 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1wpg h SER 685 Cb 0.44 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1wpg h SER 685 CO 0.00 0.71 0.18 0.50 -0.87 0.00 0.00 176.83 177.36 1wpg h LYS 686 N 0.77 0.74 -0.66 4.77 3.64 -1.07 0.46 116.57 125.23 1wpg h LYS 686 Ca 0.17 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1wpg h LYS 686 Cb 0.26 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1wpg h LYS 686 CO -0.01 0.68 0.14 0.82 -2.27 0.00 0.00 179.45 178.81 1wpg h ILE 687 N 0.66 1.26 -0.81 2.00 2.04 -0.71 -1.34 117.51 120.61 1wpg h ILE 687 Ca 0.16 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1wpg h ILE 687 Cb 0.22 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1wpg h ILE 687 CO -0.01 0.37 0.38 0.58 0.00 0.00 0.00 178.15 179.47 1wpg h VAL 688 N 1.00 1.25 -0.67 1.67 2.07 -0.84 -1.85 116.25 118.88 1wpg h VAL 688 Ca 0.20 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1wpg h VAL 688 Cb 0.40 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1wpg h VAL 688 CO 0.01 0.30 0.34 -0.08 0.02 0.00 0.00 177.57 178.16 1wpg h GLU 689 N 1.14 0.96 -0.70 1.57 4.81 -0.41 -0.84 114.58 121.10 1wpg h GLU 689 Ca 0.28 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1wpg h GLU 689 Cb 0.12 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1wpg h GLU 689 CO -0.03 0.75 0.27 1.88 -0.73 0.00 0.00 179.01 181.15 1wpg h TYR 690 N 0.93 1.08 -0.59 0.92 0.99 -0.88 -1.00 116.97 118.42 1wpg h TYR 690 Ca 0.23 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1wpg h TYR 690 Cb 0.10 -0.32 -0.03 0.00 1.00 0.00 0.00 36.73 37.48 1wpg h TYR 690 CO 0.00 0.84 0.38 -0.07 -0.00 0.00 0.00 178.16 179.31 1wpg h LEU 691 N 1.01 0.68 -1.22 3.88 4.07 -0.80 -0.96 115.31 121.96 1wpg h LEU 691 Ca 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1wpg h LEU 691 Cb 0.22 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1wpg h LEU 691 CO -0.02 0.50 0.00 1.56 -1.08 0.00 0.00 178.44 179.41 1wpg h GLN 692 N 0.79 0.00 0.00 1.13 4.20 -0.69 -2.01 115.11 118.53 1wpg h GLN 692 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1wpg h GLN 692 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1wpg h GLN 692 CO -0.04 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.78 1wpg h SER 693 N 0.00 0.00 -0.57 1.46 4.64 0.18 -0.68 113.55 118.58 1wpg h SER 693 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wpg h SER 693 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1wpg h SER 693 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 1wpg n TYR 694 N -2.73 0.89 -2.18 4.77 4.02 -0.76 -4.91 117.16 116.26 1wpg n TYR 694 Ca 0.01 -0.41 -0.15 0.00 -0.01 0.00 0.00 57.90 57.34 1wpg n TYR 694 Cb 0.28 -0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 1wpg n TYR 694 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1wpg n ASP 695 N 1.12 -4.60 -4.83 7.72 8.00 -0.26 -4.99 116.55 118.70 1wpg n ASP 695 Ca 0.20 0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.35 1wpg n ASP 695 Cb 0.55 -3.70 -0.06 0.00 -0.02 0.00 0.00 41.12 37.89 1wpg n ASP 695 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wpg s GLU 696 N -4.57 3.97 -0.33 -1.24 2.02 -1.23 -4.81 118.70 112.52 1wpg s GLU 696 Ca 0.00 0.47 -0.28 0.00 0.02 0.00 0.00 54.97 55.18 1wpg s GLU 696 Cb 0.00 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 31.05 1wpg s GLU 696 CO 0.00 0.66 1.02 0.42 0.02 0.00 0.00 175.26 177.38 1wpg s ILE 697 N -1.13 4.55 -0.06 -1.63 -1.09 -1.26 -4.39 121.20 116.19 1wpg s ILE 697 Ca 0.26 1.59 0.02 0.00 -2.23 0.00 0.00 60.65 60.29 1wpg s ILE 697 Cb -0.17 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 1wpg s ILE 697 CO 0.15 -0.47 -0.09 0.42 -1.23 0.00 0.00 174.94 173.72 1wpg s THR 698 N 3.56 3.49 0.23 2.92 -4.23 -1.26 -1.53 115.64 118.82 1wpg s THR 698 Ca 0.43 -0.56 0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1wpg s THR 698 Cb -0.12 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1wpg s THR 698 CO 0.16 0.60 -0.02 0.00 -0.54 0.00 0.00 174.62 174.81 1wpg s ALA 699 N -0.78 3.12 -0.03 3.99 0.00 0.76 -1.93 121.76 126.89 1wpg s ALA 699 Ca 0.12 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1wpg s ALA 699 Cb -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1wpg s ALA 699 CO 0.01 0.35 -0.01 1.41 0.00 0.00 0.00 175.76 177.52 1wpg s MET 700 N -3.34 0.47 -0.08 0.00 0.00 -0.25 0.14 119.30 116.23 1wpg s MET 700 Ca 0.29 0.02 0.04 0.00 0.00 0.00 0.00 55.69 56.03 1wpg s MET 700 Cb -0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 34.83 34.15 1wpg s MET 700 CO 0.19 -0.12 -0.20 0.99 0.00 0.00 0.00 175.02 175.88 1wpg s THR 701 N 0.98 2.46 0.22 10.11 2.01 0.21 0.42 115.64 132.05 1wpg s THR 701 Ca -0.10 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 60.78 1wpg s THR 701 Cb -0.14 -1.96 0.07 0.00 0.01 0.00 0.00 72.50 70.49 1wpg s THR 701 CO -0.01 0.56 0.99 -0.83 -0.69 0.00 0.00 174.62 174.64 1wpg s GLY 702 N -0.00 0.13 0.00 4.40 0.00 -0.58 -0.48 107.32 110.78 1wpg s GLY 702 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1wpg s GLY 702 CO 0.05 1.77 0.00 2.09 0.00 0.00 0.00 173.10 177.00 1wpg n ASP 703 N -1.19 0.07 -4.96 1.64 5.75 -1.26 -1.78 116.55 114.82 1wpg n ASP 703 Ca -0.04 -0.01 -0.22 0.00 -0.01 0.00 0.00 54.79 54.52 1wpg n ASP 703 Cb 0.60 0.03 0.01 0.00 -1.03 0.00 0.00 41.12 40.72 1wpg n ASP 703 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1wpg s GLY 704 N -0.04 1.57 0.51 6.12 0.00 -1.26 -1.26 107.32 112.96 1wpg s GLY 704 Ca 0.00 -1.18 0.33 0.00 0.00 0.00 0.00 44.72 43.86 1wpg s GLY 704 CO 0.00 -1.04 1.96 -0.39 0.00 0.00 0.00 173.10 173.63 1wpg h VAL 705 N 0.55 0.00 0.00 1.40 -1.51 -1.83 -1.64 116.25 113.22 1wpg h VAL 705 Ca -0.46 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1wpg h VAL 705 Cb 1.25 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1wpg h VAL 705 CO 0.56 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.44 1wpg n ASN 706 N -2.94 0.00 -0.01 4.19 6.94 -1.10 -2.26 115.26 120.09 1wpg n ASN 706 Ca 0.01 -0.21 0.10 0.00 -0.02 0.00 0.00 54.58 54.46 1wpg n ASN 706 Cb 0.28 -0.21 -0.14 0.00 -2.36 0.00 0.00 39.78 37.34 1wpg n ASN 706 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1wpg n ASP 707 N -1.21 0.50 -0.24 0.53 8.00 -0.62 -4.47 116.55 119.05 1wpg n ASP 707 Ca 0.12 -0.35 0.01 0.00 0.71 0.00 0.00 54.79 55.28 1wpg n ASP 707 Cb 0.15 1.61 0.09 0.00 -0.02 0.00 0.00 41.12 42.95 1wpg n ASP 707 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wpg h ALA 708 N 2.24 0.51 -0.18 2.24 0.00 -1.47 0.15 119.26 122.75 1wpg h ALA 708 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1wpg h ALA 708 Cb 0.78 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1wpg h ALA 708 CO 0.00 -0.42 0.04 -1.35 0.00 0.00 0.00 179.25 177.52 1wpg h PRO 709 N 0.01 0.12 -0.21 0.00 0.11 -1.82 -0.35 132.00 129.86 1wpg h PRO 709 Ca 0.35 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 1wpg h PRO 709 Cb 0.54 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1wpg h PRO 709 CO -0.71 0.08 -0.24 0.00 -0.21 0.00 0.00 178.00 176.92 1wpg h ALA 710 N 1.12 1.21 -0.02 -0.75 0.00 -1.61 -0.18 119.26 119.03 1wpg h ALA 710 Ca 0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1wpg h ALA 710 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wpg h ALA 710 CO -0.10 0.51 -0.39 -0.07 0.00 0.00 0.00 179.25 179.21 1wpg h LEU 711 N 0.34 0.03 0.01 0.00 3.38 -0.24 -1.20 115.31 117.62 1wpg h LEU 711 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wpg h LEU 711 Cb 0.61 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wpg h LEU 711 CO 0.04 0.42 -0.00 0.50 0.09 0.00 0.00 178.44 179.49 1wpg h LYS 712 N 0.03 -0.01 -0.72 1.13 1.63 -0.52 -3.35 116.57 114.76 1wpg h LYS 712 Ca -0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1wpg h LYS 712 Cb 0.70 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 1wpg h LYS 712 CO 0.05 0.78 0.46 -0.22 -3.45 0.00 0.00 179.45 177.08 1wpg h LYS 713 N -0.83 0.88 -7.14 1.90 1.63 -0.94 -3.44 116.57 108.64 1wpg h LYS 713 Ca -0.00 -0.05 -0.55 0.00 -0.85 0.00 0.00 60.65 59.20 1wpg h LYS 713 Cb 0.80 -0.20 0.16 0.00 -0.60 0.00 0.00 32.23 32.39 1wpg h LYS 713 CO 0.00 0.58 0.46 0.00 -3.45 0.00 0.00 179.45 177.04 1wpg s ALA 714 N -6.12 2.24 0.18 5.00 0.00 -0.46 -4.92 121.76 117.67 1wpg s ALA 714 Ca -0.13 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1wpg s ALA 714 Cb 0.15 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.84 1wpg s ALA 714 CO 0.77 -1.75 1.81 0.93 0.00 0.00 0.00 175.76 177.52 1wpg h GLU 715 N 0.14 0.84 -4.49 0.00 3.07 -1.68 -3.38 114.58 109.08 1wpg h GLU 715 Ca -0.49 -0.09 -0.64 0.00 -0.50 0.00 0.00 59.36 57.65 1wpg h GLU 715 Cb 1.32 -0.17 -0.39 0.00 -0.84 0.00 0.00 28.75 28.67 1wpg h GLU 715 CO 0.51 0.62 -0.77 0.42 -1.40 0.00 0.00 179.01 178.39 1wpg s ILE 716 N -5.93 1.81 -0.17 3.13 1.09 -1.13 -4.95 121.20 115.06 1wpg s ILE 716 Ca -0.13 -1.63 -0.18 0.00 -1.10 0.00 0.00 60.65 57.60 1wpg s ILE 716 Cb 0.13 -2.13 -0.04 0.00 -1.06 0.00 0.00 42.46 39.36 1wpg s ILE 716 CO 0.77 -0.27 0.50 -0.83 -0.10 0.00 0.00 174.94 175.01 1wpg s GLY 717 N 1.22 2.21 -0.21 6.18 0.00 -1.26 -1.09 107.32 114.37 1wpg s GLY 717 Ca -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.42 1wpg s GLY 717 CO -0.08 0.96 -0.13 -0.42 0.00 0.00 0.00 173.10 173.42 1wpg s ILE 718 N 1.22 1.88 0.09 0.90 1.01 0.17 0.29 121.20 126.76 1wpg s ILE 718 Ca 0.25 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1wpg s ILE 718 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1wpg s ILE 718 CO 0.10 0.22 0.18 0.00 0.00 0.00 0.00 174.94 175.44 1wpg s ALA 719 N 1.30 3.84 0.33 9.38 0.00 -0.49 -1.53 121.76 134.58 1wpg s ALA 719 Ca -0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 1wpg s ALA 719 Cb -0.16 -1.67 -0.09 0.00 0.00 0.00 0.00 23.12 21.19 1wpg s ALA 719 CO -0.09 0.73 1.04 -1.64 0.00 0.00 0.00 175.76 175.80 1wpg s MET 720 N -2.65 4.47 0.39 0.00 1.00 -0.74 -0.75 119.30 121.02 1wpg s MET 720 Ca 0.33 1.59 0.07 0.00 0.00 0.00 0.00 55.69 57.69 1wpg s MET 720 Cb -0.12 -2.90 0.82 0.00 0.00 0.00 0.00 34.83 32.63 1wpg s MET 720 CO 0.26 0.12 1.99 0.78 0.00 0.00 0.00 175.02 178.17 1wpg h GLY 721 N 3.26 0.79 -3.20 -0.03 0.00 -1.29 -1.99 103.07 100.60 1wpg h GLY 721 Ca -0.47 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1wpg h GLY 721 CO 0.65 0.20 0.00 -1.14 0.00 0.00 0.00 176.54 176.25 1wpg n SER 722 N -4.47 5.02 -2.22 0.19 3.41 -1.26 -4.96 113.62 109.33 1wpg n SER 722 Ca 0.08 -2.64 -0.02 0.00 -0.26 0.00 0.00 58.87 56.04 1wpg n SER 722 Cb 0.20 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.54 1wpg n SER 722 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpg n GLY 723 N 0.89 0.68 3.74 5.00 0.00 -0.75 -5.07 105.19 109.67 1wpg n GLY 723 Ca 0.26 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 1wpg n GLY 723 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wpg s THR 724 N -0.10 2.81 0.17 2.61 -4.23 -0.39 -4.92 115.64 111.59 1wpg s THR 724 Ca 0.06 0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.80 1wpg s THR 724 Cb -0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1wpg s THR 724 CO 0.04 -0.29 1.55 0.00 -0.54 0.00 0.00 174.62 175.38 1wpg h ALA 725 N -0.82 0.70 -0.30 3.99 0.00 -1.97 -2.47 119.26 118.39 1wpg h ALA 725 Ca -0.45 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.10 1wpg h ALA 725 Cb 1.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wpg h ALA 725 CO 0.50 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.75 1wpg h VAL 726 N 0.81 0.86 -0.32 0.00 2.07 -1.90 0.22 116.25 117.98 1wpg h VAL 726 Ca 0.10 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1wpg h VAL 726 Cb 0.83 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1wpg h VAL 726 CO 0.07 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.90 1wpg h ALA 727 N 1.22 0.40 0.29 1.67 0.00 -1.76 -1.53 119.26 119.56 1wpg h ALA 727 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wpg h ALA 727 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wpg h ALA 727 CO -0.18 -0.13 -0.19 0.87 0.00 0.00 0.00 179.25 179.61 1wpg h LYS 728 N 0.43 -0.45 0.00 0.00 1.57 -0.91 -1.91 116.57 115.30 1wpg h LYS 728 Ca 0.12 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1wpg h LYS 728 Cb -0.05 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1wpg h LYS 728 CO -0.03 -0.30 0.00 0.25 -0.57 0.00 0.00 179.45 178.80 1wpg n THR 729 N -5.32 1.25 0.14 -0.16 -2.24 0.71 -1.14 114.28 107.53 1wpg n THR 729 Ca -0.09 0.31 0.10 0.00 -2.27 0.00 0.00 64.05 62.11 1wpg n THR 729 Cb 0.23 -1.15 0.21 0.00 -2.10 0.00 0.00 70.33 67.51 1wpg n THR 729 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpg n ALA 730 N -1.46 2.38 -2.57 6.98 0.00 -0.59 -4.48 120.51 120.78 1wpg n ALA 730 Ca 0.03 -1.03 -0.23 0.00 0.00 0.00 0.00 53.44 52.21 1wpg n ALA 730 Cb 0.10 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1wpg n ALA 730 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wpg s SER 731 N -1.30 4.88 -0.04 0.00 0.01 -0.29 -3.97 113.70 112.99 1wpg s SER 731 Ca 0.36 -0.64 0.12 0.00 1.31 0.00 0.00 55.95 57.10 1wpg s SER 731 Cb 0.21 -0.87 -0.23 0.00 0.21 0.00 0.00 66.02 65.33 1wpg s SER 731 CO 0.28 -0.23 0.67 -0.62 0.41 0.00 0.00 173.24 173.75 1wpg n GLU 732 N -1.16 0.63 -4.16 12.44 4.71 0.15 -4.77 120.64 128.48 1wpg n GLU 732 Ca -0.04 0.30 -0.10 0.00 -0.01 0.00 0.00 57.16 57.31 1wpg n GLU 732 Cb 0.60 -1.80 -0.10 0.00 -1.01 0.00 0.00 31.44 29.13 1wpg n GLU 732 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1wpg s MET 733 N -2.60 0.85 -0.03 3.49 -1.94 -0.47 0.82 119.30 119.42 1wpg s MET 733 Ca -0.05 -1.37 0.01 0.00 -1.71 0.00 0.00 55.69 52.57 1wpg s MET 733 Cb 0.08 0.01 0.02 0.00 2.01 0.00 0.00 34.83 36.95 1wpg s MET 733 CO 0.82 -0.13 -0.04 0.08 -0.01 0.00 0.00 175.02 175.75 1wpg s VAL 734 N -3.82 0.45 -1.03 -6.03 1.01 0.04 -1.39 120.40 109.63 1wpg s VAL 734 Ca 0.16 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1wpg s VAL 734 Cb 0.07 -0.47 0.14 0.00 0.00 0.00 0.00 36.38 36.12 1wpg s VAL 734 CO -0.03 0.19 1.24 -0.76 0.00 0.00 0.00 175.10 175.75 1wpg s LEU 735 N 0.76 4.99 0.66 3.92 1.43 0.07 -1.62 118.68 128.88 1wpg s LEU 735 Ca -0.09 -2.33 0.16 0.00 -1.03 0.00 0.00 54.13 50.84 1wpg s LEU 735 Cb -0.12 -2.41 0.85 0.00 0.03 0.00 0.00 46.19 44.54 1wpg s LEU 735 CO -0.00 -0.98 1.47 0.00 0.23 0.00 0.00 176.35 177.07 1wpg h ALA 736 N 8.32 1.77 -0.06 4.21 0.00 -1.65 0.21 119.26 132.06 1wpg h ALA 736 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wpg h ALA 736 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wpg h ALA 736 CO 1.17 -0.73 0.00 -0.40 0.00 0.00 0.00 179.25 179.28 1wpg n ASP 737 N -2.78 2.58 -0.58 0.00 5.75 -1.26 -4.71 116.55 115.54 1wpg n ASP 737 Ca 0.01 -2.88 -0.04 0.00 -0.01 0.00 0.00 54.79 51.87 1wpg n ASP 737 Cb 0.74 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 1wpg n ASP 737 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1wpg n ASP 738 N -1.08 -2.73 -4.67 -1.12 8.00 0.54 -4.89 116.55 110.61 1wpg n ASP 738 Ca 0.14 0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.36 1wpg n ASP 738 Cb 0.62 -2.21 -0.06 0.00 -0.02 0.00 0.00 41.12 39.45 1wpg n ASP 738 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wpg s ASN 739 N -1.35 6.63 0.46 -2.24 3.84 -1.26 -4.95 114.94 116.07 1wpg s ASN 739 Ca 0.00 0.76 0.20 0.00 0.21 0.00 0.00 52.86 54.02 1wpg s ASN 739 Cb 0.00 -2.31 1.12 0.00 -0.55 0.00 0.00 41.25 39.51 1wpg s ASN 739 CO 0.00 -0.18 1.98 0.15 -2.79 0.00 0.00 177.10 176.26 1wpg h PHE 740 N 7.36 0.00 0.00 0.43 3.57 -1.91 -1.91 116.94 124.47 1wpg h PHE 740 Ca -0.34 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1wpg h PHE 740 Cb 1.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1wpg h PHE 740 CO 0.69 0.20 -0.03 0.77 -2.23 0.00 0.00 178.31 177.71 1wpg h SER 741 N 0.00 0.00 -0.04 0.41 0.02 -1.92 -0.93 113.55 111.09 1wpg h SER 741 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1wpg h SER 741 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1wpg h SER 741 CO 0.03 0.03 -0.11 0.74 -1.14 0.00 0.00 176.83 176.38 1wpg h THR 742 N 0.00 1.19 0.24 -2.27 2.02 -1.68 -2.06 112.91 110.35 1wpg h THR 742 Ca -0.00 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1wpg h THR 742 Cb 0.11 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1wpg h THR 742 CO 0.00 0.26 -0.11 0.40 0.37 0.00 0.00 175.52 176.44 1wpg h ILE 743 N 0.30 0.77 -0.44 3.11 1.08 -1.31 0.34 117.51 121.36 1wpg h ILE 743 Ca 0.06 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.57 1wpg h ILE 743 Cb 0.38 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 1wpg h ILE 743 CO 0.02 0.01 0.13 0.58 -0.69 0.00 0.00 178.15 178.19 1wpg h VAL 744 N -0.33 0.82 -0.13 1.67 2.07 -1.54 0.15 116.25 118.96 1wpg h VAL 744 Ca -0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1wpg h VAL 744 Cb 0.25 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wpg h VAL 744 CO 0.05 0.05 -0.04 0.00 0.02 0.00 0.00 177.57 177.65 1wpg h ALA 745 N 1.31 1.68 -0.06 1.67 0.00 -1.13 0.25 119.26 122.98 1wpg h ALA 745 Ca 0.21 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1wpg h ALA 745 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wpg h ALA 745 CO -0.24 0.24 -0.77 0.00 0.00 0.00 0.00 179.25 178.47 1wpg h ALA 746 N 1.77 0.55 -0.36 0.00 0.00 0.69 -1.73 119.26 120.18 1wpg h ALA 746 Ca 0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1wpg h ALA 746 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wpg h ALA 746 CO 0.01 0.78 -0.01 0.28 0.00 0.00 0.00 179.25 180.31 1wpg h VAL 747 N 0.26 1.26 -0.52 0.00 2.07 0.27 0.11 116.25 119.70 1wpg h VAL 747 Ca -0.04 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1wpg h VAL 747 Cb 1.36 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1wpg h VAL 747 CO 0.13 0.33 0.32 -0.08 0.02 0.00 0.00 177.57 178.30 1wpg h GLU 748 N 0.46 0.70 -0.64 1.57 4.81 -0.94 0.34 114.58 120.89 1wpg h GLU 748 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1wpg h GLU 748 Cb 0.48 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1wpg h GLU 748 CO 0.02 0.50 0.31 1.49 -0.73 0.00 0.00 179.01 180.60 1wpg h GLU 749 N 0.70 0.92 -0.67 1.92 4.57 -1.17 -0.81 114.58 120.03 1wpg h GLU 749 Ca 0.19 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1wpg h GLU 749 Cb -0.03 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 1wpg h GLU 749 CO -0.04 0.73 0.44 0.78 -1.18 0.00 0.00 179.01 179.74 1wpg h GLY 750 N 0.88 0.95 0.81 1.92 0.00 -0.03 0.58 103.07 108.18 1wpg h GLY 750 Ca 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1wpg h GLY 750 CO -0.03 0.33 -0.01 3.21 0.00 0.00 0.00 176.54 180.04 1wpg h ARG 751 N 0.89 0.36 0.05 4.80 3.08 -0.63 -2.33 114.38 120.60 1wpg h ARG 751 Ca 0.25 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1wpg h ARG 751 Cb -0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1wpg h ARG 751 CO -0.07 0.57 -0.09 0.00 -1.07 0.00 0.00 179.97 179.32 1wpg h ALA 752 N 0.77 -0.14 -0.93 0.04 0.00 -0.87 -1.91 119.26 116.22 1wpg h ALA 752 Ca 0.06 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1wpg h ALA 752 Cb 0.42 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1wpg h ALA 752 CO 0.01 -0.60 0.58 0.82 0.00 0.00 0.00 179.25 180.06 1wpg h ILE 753 N -0.18 0.98 -0.27 0.00 1.08 -0.89 -2.14 117.51 116.09 1wpg h ILE 753 Ca 0.02 -0.34 -0.12 0.00 -0.39 0.00 0.00 64.86 64.03 1wpg h ILE 753 Cb 0.19 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 1wpg h ILE 753 CO -0.05 0.18 -0.34 0.22 -0.69 0.00 0.00 178.15 177.47 1wpg h TYR 754 N 0.98 0.68 -0.72 1.37 3.20 -1.06 -1.11 116.97 120.33 1wpg h TYR 754 Ca 0.43 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1wpg h TYR 754 Cb 0.32 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1wpg h TYR 754 CO -0.02 0.85 0.31 -0.91 -1.64 0.00 0.00 178.16 176.75 1wpg h ASN 755 N 0.50 0.96 -0.14 -2.11 2.35 -0.70 -0.24 115.58 116.18 1wpg h ASN 755 Ca 0.05 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1wpg h ASN 755 Cb 0.83 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1wpg h ASN 755 CO 0.07 0.84 -0.20 0.78 -1.65 0.00 0.00 177.43 177.27 1wpg h ASN 756 N 1.03 0.42 -0.97 5.81 4.21 -1.28 -2.95 115.58 121.85 1wpg h ASN 756 Ca 0.24 -0.52 0.06 0.00 1.21 0.00 0.00 56.30 57.30 1wpg h ASN 756 Cb 0.16 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.18 1wpg h ASN 756 CO -0.03 0.86 0.62 0.24 -1.29 0.00 0.00 177.43 177.83 1wpg h MET 757 N 0.00 1.11 -0.93 0.81 2.86 -0.99 -0.03 114.93 117.76 1wpg h MET 757 Ca 0.02 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 1wpg h MET 757 Cb 0.76 -0.25 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1wpg h MET 757 CO 0.05 0.73 0.60 -0.22 1.06 0.00 0.00 176.91 179.13 1wpg h LYS 758 N 1.14 0.86 0.44 1.72 3.64 -0.97 -0.58 116.57 122.82 1wpg h LYS 758 Ca 0.41 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1wpg h LYS 758 Cb 0.14 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1wpg h LYS 758 CO -0.16 0.57 -0.21 1.96 -2.27 0.00 0.00 179.45 179.33 1wpg h GLN 759 N 0.88 -0.56 0.00 1.90 1.08 -0.84 -2.34 115.11 115.22 1wpg h GLN 759 Ca 0.45 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1wpg h GLN 759 Cb 0.50 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1wpg h GLN 759 CO -0.21 -0.38 0.00 0.27 -0.95 0.00 0.00 178.83 177.56 1wpg h PHE 760 N -0.95 0.00 -0.01 2.96 -5.15 -1.37 0.26 116.94 112.69 1wpg h PHE 760 Ca -0.06 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.69 1wpg h PHE 760 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.62 1wpg h PHE 760 CO 0.03 0.00 -0.09 0.82 -2.00 0.00 0.00 178.31 177.07 1wpg h ILE 761 N 0.00 1.56 -0.65 0.88 2.04 -1.11 -1.64 117.51 118.58 1wpg h ILE 761 Ca 0.00 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 1wpg h ILE 761 Cb 0.15 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1wpg h ILE 761 CO 0.00 0.47 0.36 0.03 0.00 0.00 0.00 178.15 179.01 1wpg h ARG 762 N -0.62 0.91 0.07 2.37 3.08 -0.69 -0.98 114.38 118.52 1wpg h ARG 762 Ca -0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1wpg h ARG 762 Cb 0.81 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1wpg h ARG 762 CO 0.02 0.68 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.62 1wpg h TYR 763 N 0.89 -0.16 -0.86 3.04 3.20 -0.54 0.37 116.97 122.91 1wpg h TYR 763 Ca 0.23 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.25 1wpg h TYR 763 Cb 0.04 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 1wpg h TYR 763 CO -0.01 -0.08 0.56 -0.07 -1.64 0.00 0.00 178.16 176.92 1wpg h LEU 764 N -0.12 0.59 -0.39 2.82 3.38 -1.31 -0.87 115.31 119.40 1wpg h LEU 764 Ca -0.01 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1wpg h LEU 764 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1wpg h LEU 764 CO -0.00 0.30 -0.74 -0.29 0.09 0.00 0.00 178.44 177.79 1wpg h ILE 765 N 0.62 1.45 -0.52 1.22 2.10 -1.06 -2.74 117.51 118.59 1wpg h ILE 765 Ca 0.43 -2.62 -0.11 0.00 1.08 0.00 0.00 64.86 63.64 1wpg h ILE 765 Cb 0.76 2.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.91 1wpg h ILE 765 CO -0.18 0.73 -0.09 -1.28 -1.08 0.00 0.00 178.15 176.24 1wpg h SER 766 N 0.00 0.97 0.03 2.19 0.87 0.11 -2.91 113.55 114.82 1wpg h SER 766 Ca -0.01 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1wpg h SER 766 Cb 1.38 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1wpg h SER 766 CO 0.10 1.09 -0.08 -1.28 -0.53 0.00 0.00 176.83 176.13 1wpg h SER 767 N 0.84 -0.22 -0.29 6.23 0.87 -1.27 -1.61 113.55 118.11 1wpg h SER 767 Ca 0.13 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.81 1wpg h SER 767 Cb 0.65 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1wpg h SER 767 CO 0.04 -0.12 0.33 0.78 -0.53 0.00 0.00 176.83 177.34 1wpg h ASN 768 N -0.15 0.00 0.08 6.23 4.21 -1.33 -1.01 115.58 123.61 1wpg h ASN 768 Ca 0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 1wpg h ASN 768 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1wpg h ASN 768 CO -0.06 0.00 -0.04 0.58 -1.29 0.00 0.00 177.43 176.63 1wpg h VAL 769 N 0.00 1.18 -0.70 2.81 2.07 -1.11 -2.74 116.25 117.76 1wpg h VAL 769 Ca 0.14 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1wpg h VAL 769 Cb 0.79 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1wpg h VAL 769 CO -0.00 0.25 0.46 1.23 0.02 0.00 0.00 177.57 179.54 1wpg h GLY 770 N -0.60 0.98 1.01 2.17 0.00 -1.02 -2.16 103.07 103.46 1wpg h GLY 770 Ca -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1wpg h GLY 770 CO 0.02 0.34 0.21 0.83 0.00 0.00 0.00 176.54 177.93 1wpg h GLU 771 N 0.91 0.96 -0.60 4.80 5.08 -1.36 -1.99 114.58 122.38 1wpg h GLU 771 Ca 0.27 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1wpg h GLU 771 Cb -0.05 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1wpg h GLU 771 CO -0.06 0.84 0.24 0.28 -1.00 0.00 0.00 179.01 179.30 1wpg h VAL 772 N 0.88 1.23 -0.57 3.13 2.07 -1.11 -1.70 116.25 120.19 1wpg h VAL 772 Ca 0.20 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1wpg h VAL 772 Cb 0.27 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1wpg h VAL 772 CO -0.01 0.28 0.33 0.58 0.02 0.00 0.00 177.57 178.77 1wpg h VAL 773 N 0.83 1.03 0.10 2.57 2.07 -1.13 -0.55 116.25 121.17 1wpg h VAL 773 Ca 0.20 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1wpg h VAL 773 Cb 0.21 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1wpg h VAL 773 CO -0.02 0.12 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 1wpg h ILE 775 N -0.22 1.01 0.10 0.00 1.08 -1.02 -2.46 117.51 116.00 1wpg h ILE 775 Ca 0.01 -0.28 -0.29 0.00 -0.39 0.00 0.00 64.86 63.91 1wpg h ILE 775 Cb 0.22 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1wpg h ILE 775 CO -0.03 0.08 -1.41 0.15 -0.69 0.00 0.00 178.15 176.25 1wpg h PHE 776 N 0.00 0.40 0.99 1.37 3.57 -0.52 -3.04 116.94 119.71 1wpg h PHE 776 Ca -0.00 -0.29 -0.05 0.00 3.53 0.00 0.00 57.97 61.16 1wpg h PHE 776 Cb 0.15 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.88 1wpg h PHE 776 CO 0.00 1.30 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.83 1wpg h LEU 777 N 0.06 -1.13 -1.69 0.59 3.38 0.03 -1.90 115.31 114.65 1wpg h LEU 777 Ca -0.19 0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.92 1wpg h LEU 777 Cb 1.98 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.99 1wpg h LEU 777 CO 0.17 -0.80 0.39 0.71 0.09 0.00 0.00 178.44 179.00 1wpg h THR 778 N -1.35 0.87 -0.53 0.22 1.35 -1.61 0.66 112.91 112.53 1wpg h THR 778 Ca -0.14 -0.12 -0.10 0.00 -0.55 0.00 0.00 66.41 65.51 1wpg h THR 778 Cb 1.02 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1wpg h THR 778 CO 0.22 0.06 -0.05 0.00 -0.25 0.00 0.00 175.52 175.51 1wpg h ALA 779 N 1.71 0.72 0.00 6.62 0.00 -1.38 -2.28 119.26 124.65 1wpg h ALA 779 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wpg h ALA 779 Cb 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wpg h ALA 779 CO -0.07 0.58 -0.99 0.00 0.00 0.00 0.00 179.25 178.78 1wpg n ALA 780 N -2.47 3.89 1.28 0.00 0.00 -0.74 -3.94 120.51 118.53 1wpg n ALA 780 Ca 0.01 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.11 1wpg n ALA 780 Cb 0.36 -0.91 0.33 0.00 0.00 0.00 0.00 19.45 19.24 1wpg n ALA 780 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wpg n LEU 781 N -1.72 2.14 0.00 0.00 7.94 0.22 -4.93 117.00 120.65 1wpg n LEU 781 Ca 0.03 -0.71 0.00 0.00 -1.11 0.00 0.00 56.01 54.22 1wpg n LEU 781 Cb 0.39 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1wpg n LEU 781 CO 0.41 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.65 1wpg n GLY 782 N 1.26 1.43 3.68 -3.96 0.00 -0.88 -4.70 105.19 102.01 1wpg n GLY 782 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1wpg n GLY 782 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wpg s LEU 783 N 0.00 2.90 0.94 0.99 1.43 -1.05 -4.55 118.68 119.34 1wpg s LEU 783 Ca 0.00 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.18 1wpg s LEU 783 Cb 0.00 -4.57 0.16 0.00 0.03 0.00 0.00 46.19 41.81 1wpg s LEU 783 CO 0.00 -3.02 1.16 -2.16 0.23 0.00 0.00 176.35 172.56 1wpg s PRO 784 N -4.58 0.89 -0.35 1.29 0.04 -1.26 -4.64 135.00 126.39 1wpg s PRO 784 Ca 0.68 0.15 -0.32 0.00 0.04 0.00 0.00 61.00 61.54 1wpg s PRO 784 Cb -0.24 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1wpg s PRO 784 CO 0.57 -2.34 2.25 0.39 0.04 0.00 0.00 177.00 177.90 1wpg n GLU 785 N -3.84 1.31 0.06 4.56 1.02 -1.26 -4.81 120.64 117.68 1wpg n GLU 785 Ca 0.08 0.32 -0.04 0.00 -0.02 0.00 0.00 57.16 57.51 1wpg n GLU 785 Cb 0.59 -2.78 -0.08 0.00 -0.02 0.00 0.00 31.44 29.16 1wpg n GLU 785 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpg h ALA 786 N 14.01 0.56 -2.64 0.62 0.00 -1.94 -3.46 119.26 126.42 1wpg h ALA 786 Ca -0.30 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 1wpg h ALA 786 Cb 1.29 0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.84 1wpg h ALA 786 CO 1.03 1.08 -0.36 -0.51 0.00 0.00 0.00 179.25 180.49 1wpg s LEU 787 N -6.39 -0.30 0.36 0.00 1.43 -1.26 -4.51 118.68 108.01 1wpg s LEU 787 Ca 0.00 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 53.92 1wpg s LEU 787 Cb 0.09 1.24 -0.05 0.00 0.03 0.00 0.00 46.19 47.50 1wpg s LEU 787 CO 0.80 -0.21 0.66 0.27 0.23 0.00 0.00 176.35 178.09 1wpg s ILE 788 N 1.98 4.94 0.29 -0.59 -4.36 -1.26 -4.99 121.20 117.21 1wpg s ILE 788 Ca -0.05 0.18 0.02 0.00 -0.26 0.00 0.00 60.65 60.53 1wpg s ILE 788 Cb -0.10 -3.77 0.29 0.00 1.25 0.00 0.00 42.46 40.12 1wpg s ILE 788 CO -0.12 -0.50 1.84 1.55 0.24 0.00 0.00 174.94 177.95 1wpg h PRO 789 N 1.19 0.96 -0.41 0.37 0.13 -1.93 -1.50 132.00 130.81 1wpg h PRO 789 Ca -0.48 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 64.71 1wpg h PRO 789 Cb 1.20 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1wpg h PRO 789 CO 0.64 0.64 0.31 0.28 -0.23 0.00 0.00 178.00 179.64 1wpg h VAL 790 N 0.99 0.72 0.18 1.56 2.07 -1.97 -1.31 116.25 118.49 1wpg h VAL 790 Ca 0.49 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.77 1wpg h VAL 790 Cb 0.47 0.78 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1wpg h VAL 790 CO -0.25 0.00 -1.08 1.56 0.02 0.00 0.00 177.57 177.81 1wpg h GLN 791 N 0.00 0.37 -0.53 1.57 4.20 -1.60 -3.26 115.11 115.86 1wpg h GLN 791 Ca 0.19 -0.64 0.03 0.00 0.06 0.00 0.00 58.65 58.30 1wpg h GLN 791 Cb 0.81 0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 1wpg h GLN 791 CO -0.00 1.30 0.30 -0.07 -0.67 0.00 0.00 178.83 179.69 1wpg h LEU 792 N -0.20 0.47 -1.12 1.46 3.38 -1.11 -2.11 115.31 116.08 1wpg h LEU 792 Ca -0.19 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1wpg h LEU 792 Cb 1.82 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.43 1wpg h LEU 792 CO 0.18 0.33 0.60 -0.07 0.09 0.00 0.00 178.44 179.57 1wpg h LEU 793 N 0.59 0.91 -1.00 1.67 3.38 -1.40 0.33 115.31 119.78 1wpg h LEU 793 Ca 0.22 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1wpg h LEU 793 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wpg h LEU 793 CO -0.12 0.56 -0.41 -0.25 0.09 0.00 0.00 178.44 178.31 1wpg h TRP 794 N 1.01 0.20 0.10 1.13 2.91 -1.44 -2.57 115.95 117.29 1wpg h TRP 794 Ca 0.41 -0.05 -0.28 0.00 1.13 0.00 0.00 58.89 60.10 1wpg h TRP 794 Cb 0.28 -0.05 0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1wpg h TRP 794 CO -0.00 0.56 -1.17 0.28 -1.03 0.00 0.00 178.44 177.08 1wpg h VAL 795 N 0.15 1.29 -0.08 2.65 2.07 -0.71 -1.42 116.25 120.20 1wpg h VAL 795 Ca 0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1wpg h VAL 795 Cb 0.79 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1wpg h VAL 795 CO 0.06 0.73 0.00 0.59 0.02 0.00 0.00 177.57 178.97 1wpg n ASN 796 N -3.84 0.49 0.00 0.57 3.02 -0.02 -0.10 115.26 115.39 1wpg n ASN 796 Ca -0.13 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1wpg n ASN 796 Cb 0.95 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1wpg n ASN 796 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wpg n LEU 797 N -0.30 0.56 0.02 3.41 4.77 -0.98 -2.34 117.00 122.14 1wpg n LEU 797 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1wpg n LEU 797 Cb 0.10 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1wpg n LEU 797 CO 0.05 0.09 -0.26 0.52 -1.33 0.00 0.00 177.39 176.46 1wpg n VAL 798 N -1.51 0.68 -0.09 4.08 0.31 -0.59 -3.93 118.33 117.27 1wpg n VAL 798 Ca 0.00 0.21 -0.06 0.00 -0.01 0.00 0.00 64.34 64.48 1wpg n VAL 798 Cb 0.24 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1wpg n VAL 798 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1wpg h THR 799 N -0.03 0.59 0.00 2.52 2.02 -1.42 -2.46 112.91 114.13 1wpg h THR 799 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1wpg h THR 799 Cb 0.50 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1wpg h THR 799 CO -0.01 0.00 -1.10 0.47 0.37 0.00 0.00 175.52 175.25 1wpg n ASP 800 N -5.31 0.67 0.36 4.18 8.00 0.86 -4.34 116.55 120.97 1wpg n ASP 800 Ca 0.01 -0.49 -0.18 0.00 0.71 0.00 0.00 54.79 54.84 1wpg n ASP 800 Cb 0.22 0.99 -0.09 0.00 -0.02 0.00 0.00 41.12 42.22 1wpg n ASP 800 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1wpg h GLY 801 N 4.69 -1.04 0.69 0.44 0.00 -1.57 -0.83 103.07 105.46 1wpg h GLY 801 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.76 1wpg h GLY 801 CO 0.00 -0.37 -0.21 1.41 0.00 0.00 0.00 176.54 177.37 1wpg h LEU 802 N -0.97 -0.56 -0.79 3.11 -0.00 -1.73 -1.43 115.31 112.94 1wpg h LEU 802 Ca -0.08 0.06 0.16 0.00 -0.00 0.00 0.00 57.88 58.02 1wpg h LEU 802 Cb 0.77 0.21 -0.11 0.00 -0.00 0.00 0.00 40.66 41.53 1wpg h LEU 802 CO 0.10 -0.30 0.29 -0.65 -0.00 0.00 0.00 178.44 177.88 1wpg h PRO 803 N -0.41 0.38 0.00 1.13 0.11 -1.74 0.13 132.00 131.60 1wpg h PRO 803 Ca 0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1wpg h PRO 803 Cb 0.41 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1wpg h PRO 803 CO -0.09 0.25 -0.00 0.00 -0.21 0.00 0.00 178.00 177.96 1wpg h ALA 804 N 1.60 -0.00 -0.83 -0.75 0.00 -0.77 -1.52 119.26 117.00 1wpg h ALA 804 Ca 0.45 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.37 1wpg h ALA 804 Cb 0.75 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1wpg h ALA 804 CO -0.46 -0.47 0.53 1.15 0.00 0.00 0.00 179.25 179.99 1wpg h THR 805 N -0.06 1.11 -0.41 0.00 2.02 -0.15 -1.23 112.91 114.19 1wpg h THR 805 Ca -0.00 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1wpg h THR 805 Cb 0.06 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1wpg h THR 805 CO 0.00 0.18 0.18 0.00 0.37 0.00 0.00 175.52 176.25 1wpg h ALA 806 N 1.35 1.55 0.00 6.16 0.00 -0.46 -0.91 119.26 126.96 1wpg h ALA 806 Ca 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wpg h ALA 806 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wpg h ALA 806 CO -0.12 0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 179.26 1wpg h LEU 807 N 0.57 0.00 0.00 0.00 3.38 -0.18 -1.16 115.31 117.92 1wpg h LEU 807 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wpg h LEU 807 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wpg h LEU 807 CO -0.02 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1wpg n GLY 808 N -0.72 -0.84 0.65 0.83 0.00 -0.35 -1.77 105.19 103.01 1wpg n GLY 808 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1wpg n GLY 808 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpg n PHE 809 N -1.44 0.64 -1.81 1.61 3.72 -0.44 -4.92 117.46 114.82 1wpg n PHE 809 Ca 0.04 -1.01 -0.36 0.00 -0.05 0.00 0.00 57.45 56.07 1wpg n PHE 809 Cb 0.12 -0.28 0.06 0.00 -0.94 0.00 0.00 39.48 38.44 1wpg n PHE 809 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1wpg s ASN 810 N -2.33 4.81 0.19 4.37 0.01 -0.73 -4.92 114.94 116.34 1wpg s ASN 810 Ca 0.39 2.46 -0.31 0.00 -0.71 0.00 0.00 52.86 54.69 1wpg s ASN 810 Cb 0.33 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 39.29 1wpg s ASN 810 CO 0.06 -1.86 1.50 -2.16 -1.51 0.00 0.00 177.10 173.13 1wpg s PRO 811 N -3.46 4.25 0.57 -0.60 0.04 -1.26 -4.99 135.00 129.55 1wpg s PRO 811 Ca 0.79 2.30 -0.17 0.00 0.04 0.00 0.00 61.00 63.96 1wpg s PRO 811 Cb -0.32 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1wpg s PRO 811 CO 0.38 -0.52 1.06 -1.25 0.04 0.00 0.00 177.00 176.70 1wpg s PRO 812 N 0.63 3.39 0.74 0.56 0.04 -1.26 -5.04 135.00 134.06 1wpg s PRO 812 Ca 0.66 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1wpg s PRO 812 Cb -0.42 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.12 1wpg s PRO 812 CO 0.35 -0.76 1.08 -0.51 0.04 0.00 0.00 177.00 177.19 1wpg s ASP 813 N -2.56 4.90 -0.07 6.66 1.01 -1.26 -5.00 116.67 120.35 1wpg s ASP 813 Ca 0.65 1.63 -0.17 0.00 0.71 0.00 0.00 52.55 55.37 1wpg s ASP 813 Cb -0.17 -2.43 -0.29 0.00 1.01 0.00 0.00 42.92 41.04 1wpg s ASP 813 CO 0.33 -1.75 0.69 -0.07 0.21 0.00 0.00 175.17 174.58 1wpg h LEU 814 N -0.93 0.47 -0.87 1.23 3.38 -2.06 -3.32 115.31 113.21 1wpg h LEU 814 Ca -0.44 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.63 1wpg h LEU 814 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wpg h LEU 814 CO 0.55 1.59 0.00 -0.90 0.09 0.00 0.00 178.44 179.78 1wpg n ASP 815 N -3.92 0.97 -0.18 -0.43 5.75 -1.26 -4.24 116.55 113.24 1wpg n ASP 815 Ca -0.22 -2.04 0.09 0.00 -0.01 0.00 0.00 54.79 52.62 1wpg n ASP 815 Cb 0.92 -0.38 0.39 0.00 -1.03 0.00 0.00 41.12 41.02 1wpg n ASP 815 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1wpg h ILE 816 N 0.21 0.94 -0.54 2.12 2.10 -1.98 -0.61 117.51 119.76 1wpg h ILE 816 Ca 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1wpg h ILE 816 Cb 0.44 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 1wpg h ILE 816 CO 0.02 0.12 0.00 0.23 -1.08 0.00 0.00 178.15 177.44 1wpg n MET 817 N -4.49 3.85 -0.03 2.19 2.81 -1.26 -3.80 117.12 116.39 1wpg n MET 817 Ca 0.12 -2.61 0.01 0.00 -1.81 0.00 0.00 57.70 53.42 1wpg n MET 817 Cb 0.33 -1.98 0.03 0.00 -0.71 0.00 0.00 33.22 30.89 1wpg n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1wpg n ASP 818 N 0.77 2.03 -4.56 7.83 9.92 -0.24 -3.91 116.55 128.39 1wpg n ASP 818 Ca 0.23 -1.86 -0.28 0.00 -0.53 0.00 0.00 54.79 52.36 1wpg n ASP 818 Cb 0.92 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 41.27 1wpg n ASP 818 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wpg s ARG 819 N -0.87 2.03 0.93 -1.24 0.52 -1.17 -4.92 118.95 114.22 1wpg s ARG 819 Ca 0.04 -1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 53.92 1wpg s ARG 819 Cb 0.02 -2.18 0.15 0.00 0.52 0.00 0.00 34.95 33.47 1wpg s ARG 819 CO 0.03 0.45 1.11 -1.25 0.02 0.00 0.00 175.30 175.67 1wpg s PRO 820 N -2.62 0.97 0.54 3.54 0.04 -1.26 -4.53 135.00 131.68 1wpg s PRO 820 Ca 0.23 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 1wpg s PRO 820 Cb -0.09 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wpg s PRO 820 CO 0.14 -2.35 1.30 -2.14 0.04 0.00 0.00 177.00 173.99 1wpg s PRO 821 N -5.12 3.21 0.42 0.56 0.02 -1.25 -4.99 135.00 127.85 1wpg s PRO 821 Ca 0.64 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 63.52 1wpg s PRO 821 Cb -0.16 -2.23 -0.10 0.00 0.02 0.00 0.00 34.50 32.03 1wpg s PRO 821 CO 0.55 -1.09 1.00 1.03 -0.33 0.00 0.00 177.00 178.17 1wpg s ARG 822 N -2.94 4.14 0.32 5.54 1.81 -1.26 -4.99 118.95 121.56 1wpg s ARG 822 Ca 0.71 1.32 -0.29 0.00 -1.72 0.00 0.00 55.73 55.76 1wpg s ARG 822 Cb -0.37 -2.34 -0.10 0.00 -0.45 0.00 0.00 34.95 31.69 1wpg s ARG 822 CO 0.43 -0.13 1.30 0.45 -0.68 0.00 0.00 175.30 176.67 1wpg s SER 823 N -1.88 6.80 0.55 0.23 0.15 -1.26 -4.89 113.70 113.39 1wpg s SER 823 Ca 0.61 2.65 0.31 0.00 0.70 0.00 0.00 55.95 60.22 1wpg s SER 823 Cb -0.16 -2.64 1.56 0.00 -1.71 0.00 0.00 66.02 63.07 1wpg s SER 823 CO 0.20 -0.52 2.09 -0.65 1.20 0.00 0.00 173.24 175.56 1wpg h PRO 824 N 3.58 0.00 -0.17 5.44 0.11 -1.92 -2.47 132.00 136.58 1wpg h PRO 824 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wpg h PRO 824 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wpg h PRO 824 CO 0.67 0.09 0.00 1.63 -0.21 0.00 0.00 178.00 180.17 1wpg n LYS 825 N -3.45 1.96 -1.61 1.05 4.76 -1.26 -4.85 118.16 114.76 1wpg n LYS 825 Ca -0.01 -1.44 -0.43 0.00 -2.87 0.00 0.00 58.31 53.56 1wpg n LYS 825 Cb 0.23 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 1wpg n LYS 825 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1wpg n GLU 826 N 0.68 2.19 -2.23 1.97 2.13 -0.93 -4.93 120.64 119.51 1wpg n GLU 826 Ca 0.17 0.67 -0.38 0.00 0.66 0.00 0.00 57.16 58.28 1wpg n GLU 826 Cb 0.43 -3.17 -0.01 0.00 0.27 0.00 0.00 31.44 28.96 1wpg n GLU 826 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wpg s PRO 827 N 5.87 3.95 0.18 5.31 0.04 -1.26 -4.95 135.00 144.14 1wpg s PRO 827 Ca 0.98 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 63.84 1wpg s PRO 827 Cb -0.37 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 31.64 1wpg s PRO 827 CO 0.37 -0.42 1.56 -0.07 0.04 0.00 0.00 177.00 178.48 1wpg h LEU 828 N 2.49 0.87 -7.54 -3.56 3.38 -1.99 -3.42 115.31 105.54 1wpg h LEU 828 Ca -0.49 -0.36 -0.51 0.00 0.09 0.00 0.00 57.88 56.61 1wpg h LEU 828 Cb 1.24 -0.24 -0.38 0.00 0.09 0.00 0.00 40.66 41.37 1wpg h LEU 828 CO 0.62 1.10 -0.78 -0.63 0.09 0.00 0.00 178.44 178.84 1wpg s ILE 829 N -4.49 0.79 0.12 1.22 1.01 -1.26 -5.03 121.20 113.56 1wpg s ILE 829 Ca -0.10 -0.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 1wpg s ILE 829 Cb 0.12 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.67 1wpg s ILE 829 CO 0.86 0.15 0.79 -0.55 0.00 0.00 0.00 174.94 176.19 1wpg s SER 830 N 1.78 -0.38 1.01 3.58 0.15 -1.26 -4.82 113.70 113.76 1wpg s SER 830 Ca 0.02 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1wpg s SER 830 Cb -0.14 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1wpg s SER 830 CO -0.07 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1wpg n GLY 831 N -0.36 2.42 0.32 9.45 0.00 -1.26 -2.83 105.19 112.93 1wpg n GLY 831 Ca -0.10 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1wpg n GLY 831 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1wpg h TRP 832 N 0.00 0.16 0.00 1.61 2.91 -2.00 0.31 115.95 118.94 1wpg h TRP 832 Ca 0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1wpg h TRP 832 Cb 0.00 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1wpg h TRP 832 CO 0.00 0.09 -0.24 1.25 -1.03 0.00 0.00 178.44 178.51 1wpg h LEU 833 N 0.16 0.00 0.34 0.65 5.85 -1.94 0.18 115.31 120.55 1wpg h LEU 833 Ca 0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1wpg h LEU 833 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1wpg h LEU 833 CO -0.02 0.24 -0.16 0.15 -0.34 0.00 0.00 178.44 178.31 1wpg h PHE 834 N 0.00 -0.42 -0.54 1.25 3.57 -0.98 -1.17 116.94 118.64 1wpg h PHE 834 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1wpg h PHE 834 Cb 0.74 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1wpg h PHE 834 CO 0.00 -0.11 0.32 0.35 -2.23 0.00 0.00 178.31 176.64 1wpg h PHE 835 N -1.00 0.60 0.10 0.41 3.57 -1.44 0.54 116.94 119.72 1wpg h PHE 835 Ca -0.05 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1wpg h PHE 835 Cb 0.50 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1wpg h PHE 835 CO 0.03 0.33 -0.30 -0.09 -2.23 0.00 0.00 178.31 176.05 1wpg h ARG 836 N 0.63 -0.49 0.00 1.11 2.43 -0.69 0.35 114.38 117.72 1wpg h ARG 836 Ca 0.22 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1wpg h ARG 836 Cb 0.04 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1wpg h ARG 836 CO -0.11 -0.33 -0.09 1.88 -1.51 0.00 0.00 179.97 179.82 1wpg h TYR 837 N -0.51 0.00 -0.39 2.20 0.99 -0.88 -1.12 116.97 117.27 1wpg h TYR 837 Ca 0.04 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.62 1wpg h TYR 837 Cb 0.55 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.27 1wpg h TYR 837 CO -0.28 0.09 -0.32 1.98 -0.00 0.00 0.00 178.16 179.62 1wpg h MET 838 N 0.00 0.87 -0.03 4.88 4.05 0.19 -1.91 114.93 122.99 1wpg h MET 838 Ca -0.00 -0.42 -0.08 0.00 -0.28 0.00 0.00 59.70 58.92 1wpg h MET 838 Cb 0.49 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1wpg h MET 838 CO 0.01 1.06 -0.31 0.00 0.23 0.00 0.00 176.91 177.91 1wpg h ALA 839 N 0.90 0.07 -0.32 0.39 0.00 0.34 -3.01 119.26 117.63 1wpg h ALA 839 Ca 0.08 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1wpg h ALA 839 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wpg h ALA 839 CO 0.08 0.14 0.22 0.82 0.00 0.00 0.00 179.25 180.51 1wpg h ILE 840 N -0.33 0.92 -0.17 0.00 1.08 -1.22 -1.93 117.51 115.86 1wpg h ILE 840 Ca -0.03 -0.05 -0.08 0.00 -0.39 0.00 0.00 64.86 64.30 1wpg h ILE 840 Cb 1.01 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1wpg h ILE 840 CO 0.06 0.03 -0.22 1.23 -0.69 0.00 0.00 178.15 178.56 1wpg h GLY 841 N 0.16 0.50 1.01 5.37 0.00 -1.34 -2.84 103.07 105.92 1wpg h GLY 841 Ca 0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1wpg h GLY 841 CO -0.02 0.48 0.46 -1.33 0.00 0.00 0.00 176.54 176.14 1wpg h GLY 842 N 0.10 1.15 0.73 4.60 0.00 -1.23 -1.49 103.07 106.93 1wpg h GLY 842 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1wpg h GLY 842 CO 0.05 0.47 -0.36 -1.82 0.00 0.00 0.00 176.54 174.88 1wpg h TYR 843 N 1.08 -0.97 -0.29 5.60 3.20 -1.40 -0.50 116.97 123.68 1wpg h TYR 843 Ca 0.28 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.23 1wpg h TYR 843 Cb -0.02 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1wpg h TYR 843 CO -0.00 -0.53 0.21 0.28 -1.64 0.00 0.00 178.16 176.48 1wpg h VAL 844 N -0.82 0.85 -0.01 1.81 2.07 -1.39 0.53 116.25 119.29 1wpg h VAL 844 Ca -0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1wpg h VAL 844 Cb 0.70 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1wpg h VAL 844 CO 0.00 0.00 -0.66 1.23 0.02 0.00 0.00 177.57 178.16 1wpg h GLY 845 N 0.00 0.03 0.73 2.17 0.00 -0.32 -2.64 103.07 103.04 1wpg h GLY 845 Ca 0.14 -0.04 -0.26 0.00 0.00 0.00 0.00 47.33 47.17 1wpg h GLY 845 CO -0.00 0.04 -1.78 0.00 0.00 0.00 0.00 176.54 174.80 1wpg n ALA 846 N -2.42 1.68 0.09 3.60 0.00 -0.17 -3.08 120.51 120.20 1wpg n ALA 846 Ca -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 53.44 52.58 1wpg n ALA 846 Cb 0.65 -0.74 0.17 0.00 0.00 0.00 0.00 19.45 19.53 1wpg n ALA 846 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg h ALA 847 N 1.16 0.97 0.00 0.00 0.00 -0.06 0.21 119.26 121.54 1wpg h ALA 847 Ca -0.29 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1wpg h ALA 847 Cb 1.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1wpg h ALA 847 CO 0.06 0.67 -0.08 1.79 0.00 0.00 0.00 179.25 181.68 1wpg h THR 848 N 0.19 1.66 0.00 0.00 1.35 -1.62 -1.59 112.91 112.89 1wpg h THR 848 Ca 0.01 -2.27 -0.02 0.00 -0.55 0.00 0.00 66.41 63.57 1wpg h THR 848 Cb 0.98 3.16 -0.00 0.00 -1.73 0.00 0.00 68.15 70.56 1wpg h THR 848 CO 0.08 0.56 -0.09 0.58 -0.25 0.00 0.00 175.52 176.40 1wpg h VAL 849 N -1.00 0.39 0.00 6.82 2.07 -1.59 -2.46 116.25 120.47 1wpg h VAL 849 Ca -0.02 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1wpg h VAL 849 Cb 0.97 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1wpg h VAL 849 CO -0.01 0.09 -0.03 1.23 0.02 0.00 0.00 177.57 178.87 1wpg h GLY 850 N 1.08 0.00 1.75 2.17 0.00 -0.64 -2.66 103.07 104.77 1wpg h GLY 850 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wpg h GLY 850 CO 0.01 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.65 1wpg h ALA 851 N -0.61 1.07 0.12 3.60 0.00 -1.23 0.48 119.26 122.68 1wpg h ALA 851 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1wpg h ALA 851 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wpg h ALA 851 CO -0.00 -0.07 -1.51 0.00 0.00 0.00 0.00 179.25 177.67 1wpg h ALA 852 N 1.75 0.21 0.00 0.00 0.00 -1.50 -3.29 119.26 116.42 1wpg h ALA 852 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 54.91 53.68 1wpg h ALA 852 Cb 0.20 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wpg h ALA 852 CO 0.00 0.90 -0.46 0.00 0.00 0.00 0.00 179.25 179.68 1wpg h ALA 853 N -0.03 0.90 0.16 0.00 0.00 -0.68 -3.22 119.26 116.39 1wpg h ALA 853 Ca -0.32 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1wpg h ALA 853 Cb 1.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1wpg h ALA 853 CO 0.06 0.58 -0.12 2.35 0.00 0.00 0.00 179.25 182.12 1wpg h TRP 854 N 0.00 -0.31 -0.78 0.00 7.01 -0.26 -2.21 115.95 119.40 1wpg h TRP 854 Ca -0.00 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.10 1wpg h TRP 854 Cb 1.05 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 28.17 1wpg h TRP 854 CO 0.00 -0.19 0.51 2.35 -2.79 0.00 0.00 178.44 178.32 1wpg h TRP 855 N -0.29 0.71 0.00 2.65 7.01 -1.62 0.23 115.95 124.63 1wpg h TRP 855 Ca -0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1wpg h TRP 855 Cb 0.26 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1wpg h TRP 855 CO -0.10 0.31 0.00 1.19 -2.79 0.00 0.00 178.44 177.05 1wpg n PHE 856 N -4.51 0.00 0.04 2.65 0.99 -0.86 -3.80 117.46 111.97 1wpg n PHE 856 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1wpg n PHE 856 Cb 0.38 -0.49 0.00 0.00 -1.00 0.00 0.00 39.48 38.37 1wpg n PHE 856 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1wpg n MET 857 N -1.49 0.00 -0.37 -1.08 2.81 -0.07 -0.40 117.12 116.52 1wpg n MET 857 Ca 0.05 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.05 1wpg n MET 857 Cb 0.23 -0.22 0.30 0.00 -0.71 0.00 0.00 33.22 32.82 1wpg n MET 857 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1wpg n TYR 858 N -3.00 0.96 -3.39 2.03 4.02 0.61 -4.07 117.16 114.31 1wpg n TYR 858 Ca 0.00 -0.51 -0.32 0.00 -0.01 0.00 0.00 57.90 57.06 1wpg n TYR 858 Cb 0.14 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.38 1wpg n TYR 858 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wpg s ALA 859 N -1.09 3.56 -0.94 -0.72 0.00 -1.14 -4.97 121.76 116.46 1wpg s ALA 859 Ca 0.46 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1wpg s ALA 859 Cb 0.24 -2.44 0.16 0.00 0.00 0.00 0.00 23.12 21.09 1wpg s ALA 859 CO 0.30 0.48 2.37 0.39 0.00 0.00 0.00 175.76 179.30 1wpg n GLU 860 N -0.21 3.83 0.00 0.00 1.02 -1.26 -3.79 120.64 120.22 1wpg n GLU 860 Ca 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 1wpg n GLU 860 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1wpg n GLU 860 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wpg n ASP 861 N 0.86 0.00 0.00 1.62 8.00 -1.26 -5.02 116.55 120.75 1wpg n ASP 861 Ca 0.54 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1wpg n ASP 861 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1wpg n ASP 861 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpg n GLY 862 N 0.00 -1.65 3.44 0.44 0.00 -1.25 -5.15 105.19 101.02 1wpg n GLY 862 Ca 0.00 0.81 -0.36 0.00 0.00 0.00 0.00 46.02 46.47 1wpg n GLY 862 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wpg n PRO 863 N 0.00 0.27 -0.66 1.61 -0.02 -1.25 -4.48 135.00 130.46 1wpg n PRO 863 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1wpg n PRO 863 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1wpg n PRO 863 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpg n GLY 864 N 1.74 4.65 3.59 -1.23 0.00 0.46 -4.86 105.19 109.54 1wpg n GLY 864 Ca 0.10 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1wpg n GLY 864 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wpg s VAL 865 N -1.45 3.43 -1.92 1.61 1.01 -1.26 -4.82 120.40 117.00 1wpg s VAL 865 Ca 0.00 0.40 0.16 0.00 0.00 0.00 0.00 61.98 62.54 1wpg s VAL 865 Cb 0.00 -3.69 0.42 0.00 0.00 0.00 0.00 36.38 33.11 1wpg s VAL 865 CO 0.00 -0.51 1.36 0.35 0.00 0.00 0.00 175.10 176.30 1wpg n THR 866 N 7.39 0.08 -0.93 3.92 -2.24 -1.26 -2.17 114.28 119.07 1wpg n THR 866 Ca 0.23 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 62.08 1wpg n THR 866 Cb 0.48 -0.77 0.39 0.00 -2.10 0.00 0.00 70.33 68.33 1wpg n THR 866 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wpg n TYR 867 N -1.04 2.11 -2.49 4.78 4.02 -1.26 -4.93 117.16 118.35 1wpg n TYR 867 Ca 0.11 -0.80 -0.17 0.00 -0.01 0.00 0.00 57.90 57.03 1wpg n TYR 867 Cb 0.06 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 1wpg n TYR 867 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1wpg n HIS 868 N 0.48 -1.04 1.26 -0.72 -0.00 -0.92 -4.88 115.22 109.40 1wpg n HIS 868 Ca 0.30 0.13 0.09 0.00 0.46 0.00 0.00 57.72 58.69 1wpg n HIS 868 Cb 1.22 -3.52 0.33 0.00 -0.12 0.00 0.00 29.99 27.90 1wpg n HIS 868 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wpg n GLN 869 N -2.84 1.64 0.28 1.57 1.13 -1.25 -3.53 117.38 114.37 1wpg n GLN 869 Ca -0.17 -0.97 0.19 0.00 -1.94 0.00 0.00 57.00 54.11 1wpg n GLN 869 Cb 0.63 -1.34 0.92 0.00 0.11 0.00 0.00 30.24 30.56 1wpg n GLN 869 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wpg h LEU 870 N 1.85 0.00 -2.53 1.08 5.85 -1.90 -1.63 115.31 118.03 1wpg h LEU 870 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wpg h LEU 870 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1wpg h LEU 870 CO 0.00 0.00 -0.02 0.74 -0.34 0.00 0.00 178.44 178.82 1wpg h THR 871 N 0.00 0.18 -0.62 1.05 2.02 -1.80 -2.27 112.91 111.47 1wpg h THR 871 Ca 0.00 -0.15 -0.35 0.00 0.77 0.00 0.00 66.41 66.68 1wpg h THR 871 Cb 0.17 1.12 -0.20 0.00 -1.74 0.00 0.00 68.15 67.50 1wpg h THR 871 CO 0.00 0.02 0.15 1.41 0.37 0.00 0.00 175.52 177.47 1wpg n HIS 872 N -3.30 1.95 0.23 3.16 8.25 -0.61 -4.62 115.22 120.27 1wpg n HIS 872 Ca -0.02 -1.86 0.14 0.00 -0.26 0.00 0.00 57.72 55.72 1wpg n HIS 872 Cb 0.13 -0.70 0.77 0.00 1.12 0.00 0.00 29.99 31.31 1wpg n HIS 872 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wpg h PHE 873 N 1.18 0.00 -0.21 4.41 -5.15 -1.58 -1.26 116.94 114.33 1wpg h PHE 873 Ca 0.39 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 58.02 1wpg h PHE 873 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.08 1wpg h PHE 873 CO 1.23 0.00 -0.39 0.52 -2.00 0.00 0.00 178.31 177.66 1wpg h MET 874 N 0.00 0.64 -2.29 6.09 2.86 -1.87 -3.29 114.93 117.08 1wpg h MET 874 Ca 0.00 -0.41 -0.39 0.00 -2.06 0.00 0.00 59.70 56.85 1wpg h MET 874 Cb 0.12 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1wpg h MET 874 CO 0.00 1.02 0.96 1.04 1.06 0.00 0.00 176.91 180.99 1wpg n GLN 875 N -4.23 2.65 -0.02 1.72 6.02 -0.47 -4.16 117.38 118.88 1wpg n GLN 875 Ca -0.06 -1.64 -0.04 0.00 -0.01 0.00 0.00 57.00 55.25 1wpg n GLN 875 Cb 0.53 -2.26 -0.01 0.00 1.02 0.00 0.00 30.24 29.52 1wpg n GLN 875 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wpg h THR 877 N -0.47 1.13 0.27 0.00 2.02 -1.85 -0.93 112.91 113.08 1wpg h THR 877 Ca 0.00 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1wpg h THR 877 Cb 0.47 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1wpg h THR 877 CO 0.00 0.18 -0.13 -0.08 0.37 0.00 0.00 175.52 175.85 1wpg h GLU 878 N 0.00 -0.35 -2.68 6.66 4.57 -1.83 -3.39 114.58 117.57 1wpg h GLU 878 Ca -0.00 0.02 -0.66 0.00 -1.18 0.00 0.00 59.36 57.54 1wpg h GLU 878 Cb 0.32 0.08 -0.38 0.00 -0.16 0.00 0.00 28.75 28.61 1wpg h GLU 878 CO 0.02 -0.23 -0.24 -0.25 -1.18 0.00 0.00 179.01 177.13 1wpg n ASP 879 N -3.84 4.24 0.06 1.04 8.00 -1.21 -4.93 116.55 119.91 1wpg n ASP 879 Ca -0.05 -3.35 -0.11 0.00 0.71 0.00 0.00 54.79 52.00 1wpg n ASP 879 Cb 0.14 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 40.33 1wpg n ASP 879 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1wpg h HIS 880 N 4.94 -0.40 0.00 1.24 -0.00 -1.37 -2.19 115.15 117.37 1wpg h HIS 880 Ca 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1wpg h HIS 880 Cb 0.69 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1wpg h HIS 880 CO 0.77 -0.23 0.00 -0.35 -0.00 0.00 0.00 177.93 178.12 1wpg n PRO 881 N -5.29 0.14 0.00 5.26 -0.04 -1.26 -3.45 135.00 130.36 1wpg n PRO 881 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1wpg n PRO 881 Cb 0.20 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1wpg n PRO 881 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wpg n HIS 882 N -0.94 0.00 -2.68 0.54 8.25 -0.83 -4.70 115.22 114.87 1wpg n HIS 882 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 1wpg n HIS 882 Cb 0.01 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.16 1wpg n HIS 882 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wpg n PHE 883 N 0.00 1.51 0.00 4.41 3.01 -1.26 -4.99 117.46 120.14 1wpg n PHE 883 Ca 0.00 -2.36 0.00 0.00 1.01 0.00 0.00 57.45 56.10 1wpg n PHE 883 Cb 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1wpg n PHE 883 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1wpg n GLU 884 N -0.47 0.00 -0.48 -1.08 -0.58 -1.22 -5.00 120.64 111.80 1wpg n GLU 884 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1wpg n GLU 884 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.69 1wpg n GLU 884 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpg n GLY 885 N 4.07 1.14 3.79 0.62 0.00 -1.26 -5.07 105.19 108.48 1wpg n GLY 885 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1wpg n GLY 885 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wpg s LEU 886 N 0.00 -0.19 0.26 0.99 2.34 -1.26 -5.14 118.68 115.68 1wpg s LEU 886 Ca 0.00 -0.49 -0.30 0.00 0.06 0.00 0.00 54.13 53.40 1wpg s LEU 886 Cb 0.00 2.33 -0.11 0.00 -0.56 0.00 0.00 46.19 47.85 1wpg s LEU 886 CO 0.00 -1.05 1.57 -0.62 -1.06 0.00 0.00 176.35 175.19 1wpg s ASP 887 N -2.96 6.46 0.00 1.48 -1.08 -1.26 -4.88 116.67 114.44 1wpg s ASP 887 Ca 0.12 2.84 0.24 0.00 -0.52 0.00 0.00 52.55 55.24 1wpg s ASP 887 Cb -0.03 -2.62 1.17 0.00 -1.46 0.00 0.00 42.92 39.97 1wpg s ASP 887 CO 0.04 -0.86 1.80 0.00 0.52 0.00 0.00 175.17 176.68 1wpg n GLU 889 N -1.36 0.99 0.24 0.00 2.13 -1.26 -3.13 120.64 118.25 1wpg n GLU 889 Ca 0.10 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.04 1wpg n GLU 889 Cb 0.23 -1.37 0.48 0.00 0.27 0.00 0.00 31.44 31.05 1wpg n GLU 889 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1wpg h ILE 890 N 0.00 0.28 0.17 6.31 6.09 -1.91 -2.97 117.51 125.47 1wpg h ILE 890 Ca 0.00 -0.93 -0.30 0.00 -1.37 0.00 0.00 64.86 62.25 1wpg h ILE 890 Cb 0.00 1.74 0.02 0.00 0.47 0.00 0.00 36.82 39.05 1wpg h ILE 890 CO 0.00 0.12 -1.32 -0.26 -3.07 0.00 0.00 178.15 173.62 1wpg h PHE 891 N 0.00 0.80 -0.05 2.19 0.04 -1.82 -3.12 116.94 114.97 1wpg h PHE 891 Ca -0.00 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1wpg h PHE 891 Cb 0.73 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1wpg h PHE 891 CO 0.00 1.42 0.00 0.39 -0.60 0.00 0.00 178.31 179.52 1wpg n GLU 892 N -3.67 1.32 -2.32 1.51 1.02 -1.13 -4.86 120.64 112.51 1wpg n GLU 892 Ca -0.13 -0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.32 1wpg n GLU 892 Cb 1.04 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.93 1wpg n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpg s ALA 893 N -1.26 3.47 -2.00 0.62 0.00 -1.18 -4.91 121.76 116.50 1wpg s ALA 893 Ca 0.05 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1wpg s ALA 893 Cb 0.03 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.78 1wpg s ALA 893 CO 0.02 -0.49 0.87 -0.35 0.00 0.00 0.00 175.76 175.81 1wpg n PRO 894 N 3.68 0.80 -0.07 0.00 -0.04 -1.26 -3.86 135.00 134.24 1wpg n PRO 894 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1wpg n PRO 894 Cb 0.45 -1.03 -0.13 0.00 -0.04 0.00 0.00 33.50 32.75 1wpg n PRO 894 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wpg h GLU 895 N 0.00 0.00 -0.80 0.54 3.07 -1.90 -3.20 114.58 112.29 1wpg h GLU 895 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1wpg h GLU 895 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1wpg h GLU 895 CO 0.00 1.00 0.34 -1.00 -1.40 0.00 0.00 179.01 177.95 1wpg h PRO 896 N -1.00 1.19 -0.77 2.33 0.13 -1.88 -2.63 132.00 129.37 1wpg h PRO 896 Ca -0.03 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1wpg h PRO 896 Cb 1.02 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1wpg h PRO 896 CO -0.02 0.95 0.40 0.52 -0.23 0.00 0.00 178.00 179.62 1wpg h MET 897 N 1.16 1.09 0.00 0.86 2.86 -1.76 -0.63 114.93 118.51 1wpg h MET 897 Ca 0.27 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1wpg h MET 897 Cb 0.19 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1wpg h MET 897 CO -0.03 0.83 -0.05 1.15 1.06 0.00 0.00 176.91 179.87 1wpg h THR 898 N 1.07 0.83 -0.13 2.22 2.02 -1.50 0.73 112.91 118.16 1wpg h THR 898 Ca 0.27 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 67.05 1wpg h THR 898 Cb 0.08 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1wpg h THR 898 CO -0.04 0.05 -0.72 0.24 0.37 0.00 0.00 175.52 175.43 1wpg h MET 899 N 0.00 0.59 0.01 6.66 2.86 -0.80 -1.83 114.93 122.42 1wpg h MET 899 Ca -0.00 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1wpg h MET 899 Cb 0.11 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1wpg h MET 899 CO 0.01 1.09 -0.01 0.00 1.06 0.00 0.00 176.91 179.06 1wpg h ALA 900 N 0.79 -0.02 -0.41 6.32 0.00 -0.01 -2.77 119.26 123.17 1wpg h ALA 900 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1wpg h ALA 900 Cb 1.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wpg h ALA 900 CO 0.14 -0.28 0.25 1.25 0.00 0.00 0.00 179.25 180.60 1wpg h LEU 901 N -0.48 0.40 -0.87 0.00 5.85 -1.00 -1.10 115.31 118.11 1wpg h LEU 901 Ca -0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wpg h LEU 901 Cb 0.46 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1wpg h LEU 901 CO 0.00 0.29 0.52 0.28 -0.34 0.00 0.00 178.44 179.19 1wpg h SER 902 N 0.50 0.75 -0.20 1.25 0.02 -1.36 0.24 113.55 114.75 1wpg h SER 902 Ca 0.16 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1wpg h SER 902 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1wpg h SER 902 CO -0.07 0.43 -0.02 0.58 -1.14 0.00 0.00 176.83 176.60 1wpg h VAL 903 N 0.86 1.27 0.07 2.27 2.07 -1.14 -0.78 116.25 120.87 1wpg h VAL 903 Ca 0.42 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1wpg h VAL 903 Cb 0.37 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1wpg h VAL 903 CO -0.25 0.29 -0.27 0.25 0.02 0.00 0.00 177.57 177.62 1wpg h LEU 904 N 0.10 -0.77 -0.33 2.57 5.85 -0.12 0.15 115.31 122.76 1wpg h LEU 904 Ca 0.05 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1wpg h LEU 904 Cb 0.45 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1wpg h LEU 904 CO 0.01 -0.35 0.14 0.58 -0.34 0.00 0.00 178.44 178.49 1wpg h VAL 905 N -0.45 0.95 -0.70 1.05 2.07 -0.54 -0.96 116.25 117.65 1wpg h VAL 905 Ca 0.04 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1wpg h VAL 905 Cb 0.50 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1wpg h VAL 905 CO -0.18 0.05 0.29 0.74 0.02 0.00 0.00 177.57 178.49 1wpg h THR 906 N 0.30 1.24 -0.13 2.57 2.02 -0.86 -2.06 112.91 115.99 1wpg h THR 906 Ca 0.14 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1wpg h THR 906 Cb 0.09 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1wpg h THR 906 CO -0.13 0.30 0.06 0.40 0.37 0.00 0.00 175.52 176.53 1wpg h ILE 907 N 1.00 1.14 -0.24 3.11 2.04 -0.39 -2.65 117.51 121.52 1wpg h ILE 907 Ca 0.24 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1wpg h ILE 907 Cb 0.20 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1wpg h ILE 907 CO -0.02 0.13 -0.06 -0.33 0.00 0.00 0.00 178.15 177.87 1wpg h GLU 908 N 0.07 0.00 -0.47 2.37 4.39 -1.01 0.25 114.58 120.18 1wpg h GLU 908 Ca 0.04 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.88 1wpg h GLU 908 Cb 0.15 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1wpg h GLU 908 CO -0.00 0.00 0.34 0.52 -1.16 0.00 0.00 179.01 178.70 1wpg h MET 909 N 0.00 0.02 0.14 2.33 2.86 -1.29 0.52 114.93 119.52 1wpg h MET 909 Ca 0.11 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.45 1wpg h MET 909 Cb 0.17 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 31.86 1wpg h MET 909 CO -0.24 0.02 -1.28 0.00 1.06 0.00 0.00 176.91 176.46 1wpg n ASN 911 N -3.79 0.46 0.07 0.00 5.15 0.69 -2.01 115.26 115.84 1wpg n ASN 911 Ca -0.14 0.60 -0.16 0.00 -0.60 0.00 0.00 54.58 54.28 1wpg n ASN 911 Cb 1.00 -0.70 -0.07 0.00 -0.53 0.00 0.00 39.78 39.48 1wpg n ASN 911 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wpg h ALA 912 N 2.41 0.26 0.00 5.20 0.00 0.00 -2.38 119.26 124.74 1wpg h ALA 912 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1wpg h ALA 912 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wpg h ALA 912 CO 0.00 0.80 -0.27 -0.07 0.00 0.00 0.00 179.25 179.71 1wpg h LEU 913 N 0.24 0.00 0.00 0.00 3.38 -1.37 -2.70 115.31 114.86 1wpg h LEU 913 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wpg h LEU 913 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1wpg h LEU 913 CO 0.18 0.27 -0.04 0.59 0.09 0.00 0.00 178.44 179.54 1wpg n ASN 914 N -3.25 0.50 -0.08 -0.43 5.03 -0.90 -3.16 115.26 112.97 1wpg n ASN 914 Ca 0.02 0.51 0.12 0.00 0.87 0.00 0.00 54.58 56.10 1wpg n ASN 914 Cb 0.57 -0.62 0.29 0.00 -1.02 0.00 0.00 39.78 39.00 1wpg n ASN 914 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1wpg n SER 915 N -1.95 0.66 0.08 6.41 7.64 -0.91 -3.96 113.62 121.60 1wpg n SER 915 Ca 0.06 -0.45 0.10 0.00 1.01 0.00 0.00 58.87 59.59 1wpg n SER 915 Cb 0.39 0.21 0.57 0.00 -1.01 0.00 0.00 64.21 64.38 1wpg n SER 915 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wpg h LEU 916 N 0.38 0.19 -8.18 -3.43 3.38 -1.59 -3.43 115.31 102.62 1wpg h LEU 916 Ca 0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1wpg h LEU 916 Cb 0.50 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.06 1wpg h LEU 916 CO 0.00 0.12 -0.64 -0.55 0.09 0.00 0.00 178.44 177.47 1wpg s SER 917 N -6.65 0.44 -0.16 -0.43 0.15 -1.25 -4.99 113.70 100.80 1wpg s SER 917 Ca -0.06 -0.95 -0.19 0.00 0.70 0.00 0.00 55.95 55.45 1wpg s SER 917 Cb 0.18 0.22 -0.16 0.00 -1.71 0.00 0.00 66.02 64.56 1wpg s SER 917 CO 0.71 -0.62 0.28 -0.08 1.20 0.00 0.00 173.24 174.73 1wpg h GLU 918 N 3.09 0.00 -0.03 5.44 4.81 -1.84 -3.42 114.58 122.64 1wpg h GLU 918 Ca -0.34 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.80 1wpg h GLU 918 Cb 1.15 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.36 1wpg h GLU 918 CO 0.65 0.69 -0.73 0.09 -0.73 0.00 0.00 179.01 178.98 1wpg n ASN 919 N -4.56 1.52 -4.27 1.04 4.13 -1.26 -4.97 115.26 106.89 1wpg n ASN 919 Ca -0.17 -3.14 -0.33 0.00 1.68 0.00 0.00 54.58 52.63 1wpg n ASN 919 Cb 0.46 -0.44 -0.16 0.00 -1.54 0.00 0.00 39.78 38.10 1wpg n ASN 919 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1wpg s GLN 920 N -2.01 3.19 0.49 3.52 -1.52 -1.26 -4.79 119.66 117.27 1wpg s GLN 920 Ca 0.37 -0.79 -0.22 0.00 -1.95 0.00 0.00 55.36 52.77 1wpg s GLN 920 Cb 0.38 -2.48 -0.07 0.00 -0.22 0.00 0.00 33.01 30.62 1wpg s GLN 920 CO -0.11 0.14 1.18 0.45 -0.25 0.00 0.00 175.29 176.71 1wpg s SER 921 N 0.48 5.93 0.52 5.90 0.15 -1.26 -4.72 113.70 120.69 1wpg s SER 921 Ca -0.13 2.34 0.34 0.00 0.70 0.00 0.00 55.95 59.21 1wpg s SER 921 Cb -0.17 -2.60 1.86 0.00 -1.71 0.00 0.00 66.02 63.40 1wpg s SER 921 CO 0.05 -1.09 2.05 -0.07 1.20 0.00 0.00 173.24 175.38 1wpg h LEU 922 N 1.77 0.00 -0.95 3.45 4.07 -1.92 0.41 115.31 122.14 1wpg h LEU 922 Ca -0.50 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.36 1wpg h LEU 922 Cb 1.26 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 1wpg h LEU 922 CO 0.59 0.00 -0.51 0.24 -1.08 0.00 0.00 178.44 177.68 1wpg h MET 923 N 0.00 0.00 0.00 1.13 2.86 -1.97 -1.74 114.93 115.21 1wpg h MET 923 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1wpg h MET 923 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1wpg h MET 923 CO 0.00 0.51 -0.75 -0.09 1.06 0.00 0.00 176.91 177.65 1wpg h ARG 924 N 0.00 0.00 -3.32 1.72 9.65 -0.60 -3.42 114.38 118.41 1wpg h ARG 924 Ca -0.01 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 58.22 1wpg h ARG 924 Cb 0.93 0.00 -0.39 0.00 -1.39 0.00 0.00 29.97 29.12 1wpg h ARG 924 CO 0.07 0.96 -0.46 1.41 2.80 0.00 0.00 179.97 184.74 1wpg s MET 925 N -2.29 2.48 0.54 0.20 1.75 -0.30 -5.04 119.30 116.64 1wpg s MET 925 Ca -0.24 -2.94 -0.18 0.00 -1.25 0.00 0.00 55.69 51.08 1wpg s MET 925 Cb 0.02 -3.55 -0.12 0.00 2.84 0.00 0.00 34.83 34.02 1wpg s MET 925 CO 0.61 -1.20 0.19 -2.30 -0.65 0.00 0.00 175.02 171.67 1wpg n PRO 926 N 2.71 0.25 0.30 4.11 -0.02 -0.66 -4.40 135.00 137.30 1wpg n PRO 926 Ca 0.13 0.10 0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1wpg n PRO 926 Cb 0.35 -1.35 0.96 0.00 -0.02 0.00 0.00 33.50 33.44 1wpg n PRO 926 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wpg h PRO 927 N 0.10 0.00 -0.16 0.52 0.11 -1.92 -2.29 132.00 128.36 1wpg h PRO 927 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wpg h PRO 927 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1wpg h PRO 927 CO 0.44 0.03 0.00 -2.67 -0.21 0.00 0.00 178.00 175.59 1wpg n TRP 928 N -3.38 0.22 0.21 0.65 2.14 -1.26 -3.72 117.44 112.30 1wpg n TRP 928 Ca -0.02 -0.11 0.06 0.00 2.07 0.00 0.00 57.50 59.50 1wpg n TRP 928 Cb 0.15 0.00 0.45 0.00 -0.81 0.00 0.00 31.31 31.10 1wpg n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1wpg h VAL 929 N 1.14 1.01 -3.29 -1.67 2.07 -1.75 -3.33 116.25 110.42 1wpg h VAL 929 Ca 0.00 -1.12 -0.63 0.00 0.82 0.00 0.00 66.70 65.77 1wpg h VAL 929 Cb 0.26 1.64 -0.41 0.00 -1.52 0.00 0.00 31.29 31.26 1wpg h VAL 929 CO 0.00 0.30 -0.64 0.21 0.02 0.00 0.00 177.57 177.46 1wpg s ASN 930 N -6.64 4.26 0.34 0.57 3.84 -1.24 -4.78 114.94 111.29 1wpg s ASN 930 Ca -0.02 -3.06 0.10 0.00 0.21 0.00 0.00 52.86 50.08 1wpg s ASN 930 Cb 0.13 -1.55 0.84 0.00 -0.55 0.00 0.00 41.25 40.12 1wpg s ASN 930 CO 0.68 -0.22 1.80 0.40 -2.79 0.00 0.00 177.10 176.98 1wpg h ILE 931 N 5.34 0.71 0.00 -5.21 1.08 -1.85 0.12 117.51 117.69 1wpg h ILE 931 Ca -0.04 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1wpg h ILE 931 Cb 0.88 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1wpg h ILE 931 CO 0.66 0.12 -0.08 -0.50 -0.69 0.00 0.00 178.15 177.66 1wpg h TRP 932 N 0.66 0.00 -0.13 1.37 4.06 -1.93 -2.09 115.95 117.89 1wpg h TRP 932 Ca 0.54 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.33 1wpg h TRP 932 Cb 0.97 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.14 1wpg h TRP 932 CO -0.00 0.08 -0.53 1.25 -3.56 0.00 0.00 178.44 175.68 1wpg h LEU 933 N 0.00 0.69 0.49 -4.49 5.85 -1.03 -1.98 115.31 114.85 1wpg h LEU 933 Ca -0.00 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 1wpg h LEU 933 Cb 0.26 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1wpg h LEU 933 CO 0.01 1.20 -0.24 -0.07 -0.34 0.00 0.00 178.44 179.01 1wpg h LEU 934 N 0.23 -0.56 -2.52 2.25 3.38 -1.36 -0.26 115.31 116.47 1wpg h LEU 934 Ca -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wpg h LEU 934 Cb 1.17 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1wpg h LEU 934 CO 0.11 -0.36 0.13 1.23 0.09 0.00 0.00 178.44 179.64 1wpg h GLY 935 N -0.72 0.00 0.31 0.83 0.00 -1.46 -1.44 103.07 100.60 1wpg h GLY 935 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wpg h GLY 935 CO 0.11 0.00 -0.02 0.23 0.00 0.00 0.00 176.54 176.86 1wpg h SER 936 N 0.00 -0.06 -0.80 0.19 0.87 -0.41 -2.70 113.55 110.65 1wpg h SER 936 Ca 0.02 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 1wpg h SER 936 Cb 0.29 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1wpg h SER 936 CO -0.00 0.59 0.45 0.40 -0.53 0.00 0.00 176.83 177.74 1wpg h ILE 937 N -0.76 1.23 -0.56 2.23 2.04 -0.10 -1.92 117.51 119.67 1wpg h ILE 937 Ca -0.01 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1wpg h ILE 937 Cb 0.63 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1wpg h ILE 937 CO 0.01 0.26 0.10 0.00 0.00 0.00 0.00 178.15 178.51 1wpg h LEU 939 N 0.84 0.00 -0.01 0.00 5.85 -1.07 -1.26 115.31 119.66 1wpg h LEU 939 Ca 0.18 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.68 1wpg h LEU 939 Cb 0.36 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.41 1wpg h LEU 939 CO 0.01 0.52 -0.84 0.28 -0.34 0.00 0.00 178.44 178.07 1wpg h SER 940 N 0.00 0.75 -0.43 1.25 0.02 -0.90 -2.65 113.55 111.59 1wpg h SER 940 Ca -0.01 -0.74 -0.14 0.00 -0.84 0.00 0.00 61.79 60.07 1wpg h SER 940 Cb 0.99 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1wpg h SER 940 CO 0.07 1.39 -0.27 0.24 -1.14 0.00 0.00 176.83 177.12 1wpg h MET 941 N 0.18 0.94 0.00 3.45 2.86 -1.24 -1.53 114.93 119.59 1wpg h MET 941 Ca -0.10 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.07 1wpg h MET 941 Cb 1.51 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 1wpg h MET 941 CO 0.17 1.10 -0.14 0.66 1.06 0.00 0.00 176.91 179.75 1wpg h SER 942 N 0.77 0.00 0.91 1.22 4.64 -1.29 -0.14 113.55 119.67 1wpg h SER 942 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1wpg h SER 942 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1wpg h SER 942 CO 0.08 0.14 -0.38 0.18 -0.87 0.00 0.00 176.83 175.98 1wpg n LEU 943 N -4.15 0.56 0.10 5.97 4.77 -1.00 -2.77 117.00 120.48 1wpg n LEU 943 Ca -0.02 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 1wpg n LEU 943 Cb 0.22 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1wpg n LEU 943 CO 0.34 -0.03 -0.35 -0.74 -1.33 0.00 0.00 177.39 175.29 1wpg h HIS 944 N 0.00 0.81 -0.13 -1.77 2.76 -0.03 -2.68 115.15 114.11 1wpg h HIS 944 Ca 0.00 -0.59 -0.08 0.00 -2.20 0.00 0.00 60.37 57.50 1wpg h HIS 944 Cb 0.65 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1wpg h HIS 944 CO 0.00 1.59 -0.29 0.74 -1.30 0.00 0.00 177.93 178.67 1wpg h PHE 945 N 0.05 0.26 -0.19 5.26 0.05 -1.37 -2.62 116.94 118.38 1wpg h PHE 945 Ca -0.29 -0.05 -0.13 0.00 3.82 0.00 0.00 57.97 61.32 1wpg h PHE 945 Cb 2.07 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 39.94 1wpg h PHE 945 CO 0.12 0.51 -0.44 1.25 -0.18 0.00 0.00 178.31 179.58 1wpg h LEU 946 N 0.21 0.49 -0.20 1.54 5.85 -1.56 -1.07 115.31 120.57 1wpg h LEU 946 Ca 0.03 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1wpg h LEU 946 Cb 0.63 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wpg h LEU 946 CO 0.05 0.87 0.00 0.00 -0.34 0.00 0.00 178.44 179.02 1wpg n ILE 947 N -4.01 0.04 -0.02 4.05 3.06 -1.00 -2.79 119.36 118.69 1wpg n ILE 947 Ca -0.02 -0.07 -0.04 0.00 -2.50 0.00 0.00 62.75 60.13 1wpg n ILE 947 Cb 0.53 -0.14 -0.02 0.00 0.54 0.00 0.00 39.64 40.55 1wpg n ILE 947 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1wpg n LEU 948 N -0.55 1.85 -0.02 9.51 4.77 -0.98 -3.30 117.00 128.28 1wpg n LEU 948 Ca 0.13 0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1wpg n LEU 948 Cb 0.10 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1wpg n LEU 948 CO 0.10 0.37 -0.01 1.88 -1.33 0.00 0.00 177.39 178.39 1wpg h TYR 949 N -0.07 0.26 -0.37 -1.77 -1.99 -1.31 -3.38 116.97 108.34 1wpg h TYR 949 Ca -0.11 -0.19 -0.07 0.00 2.00 0.00 0.00 58.73 60.36 1wpg h TYR 949 Cb 1.13 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.84 1wpg h TYR 949 CO -0.00 1.28 0.18 0.08 -0.00 0.00 0.00 178.16 179.70 1wpg s VAL 950 N -2.36 3.11 0.03 -2.88 1.01 -1.12 -4.82 120.40 113.37 1wpg s VAL 950 Ca -0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1wpg s VAL 950 Cb 0.01 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wpg s VAL 950 CO 0.74 -0.22 0.23 -0.67 0.00 0.00 0.00 175.10 175.18 1wpg n ASP 951 N 17.93 -0.10 0.00 3.32 2.03 -1.26 0.52 116.55 138.99 1wpg n ASP 951 Ca 0.45 0.26 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1wpg n ASP 951 Cb 0.44 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1wpg n ASP 951 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1wpg n PRO 952 N -4.22 0.00 -0.04 -0.67 -0.02 -1.26 -3.33 135.00 125.46 1wpg n PRO 952 Ca 0.02 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.61 1wpg n PRO 952 Cb 0.06 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1wpg n PRO 952 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wpg n LEU 953 N -1.15 1.43 0.25 2.45 4.77 0.18 -4.48 117.00 120.46 1wpg n LEU 953 Ca 0.00 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.39 1wpg n LEU 953 Cb 0.07 -0.53 0.87 0.00 -2.33 0.00 0.00 43.42 41.49 1wpg n LEU 953 CO 0.00 -0.23 1.15 1.55 -1.33 0.00 0.00 177.39 178.53 1wpg h PRO 954 N -0.56 0.00 0.00 3.23 0.13 -1.55 0.32 132.00 133.57 1wpg h PRO 954 Ca -0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 1wpg h PRO 954 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1wpg h PRO 954 CO -0.08 0.00 -0.70 1.98 -0.23 0.00 0.00 178.00 178.97 1wpg h MET 955 N 0.00 0.00 0.09 0.86 4.05 -1.81 0.41 114.93 118.53 1wpg h MET 955 Ca 0.06 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.30 1wpg h MET 955 Cb 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1wpg h MET 955 CO -0.00 0.70 -0.92 0.82 0.23 0.00 0.00 176.91 177.74 1wpg h ILE 956 N 0.00 1.32 -0.05 1.77 2.04 -0.65 -3.31 117.51 118.63 1wpg h ILE 956 Ca -0.01 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1wpg h ILE 956 Cb 1.30 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 1wpg h ILE 956 CO 0.09 0.64 0.00 0.49 0.00 0.00 0.00 178.15 179.37 1wpg n PHE 957 N -4.19 0.07 -3.61 1.37 3.01 -0.39 -4.92 117.46 108.80 1wpg n PHE 957 Ca -0.19 -0.03 -0.25 0.00 1.01 0.00 0.00 57.45 57.98 1wpg n PHE 957 Cb 0.76 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.28 1wpg n PHE 957 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1wpg n LYS 958 N -0.45 -2.44 -4.66 -1.08 4.81 -0.38 -4.85 118.16 109.11 1wpg n LYS 958 Ca 0.13 0.58 -0.30 0.00 -0.87 0.00 0.00 58.31 57.85 1wpg n LYS 958 Cb 0.13 -4.76 -0.07 0.00 0.02 0.00 0.00 35.03 30.34 1wpg n LYS 958 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1wpg s LEU 959 N -6.32 2.10 -0.30 3.14 1.43 0.13 -4.74 118.68 114.13 1wpg s LEU 959 Ca 0.33 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.60 1wpg s LEU 959 Cb -0.10 -0.40 0.16 0.00 0.03 0.00 0.00 46.19 45.89 1wpg s LEU 959 CO 0.82 -0.95 0.88 -0.75 0.23 0.00 0.00 176.35 176.59 1wpg s LYS 960 N -3.78 0.37 0.63 1.70 2.20 -1.22 -4.63 119.74 115.01 1wpg s LYS 960 Ca 0.11 0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 56.39 1wpg s LYS 960 Cb 0.01 0.50 -0.13 0.00 -1.51 0.00 0.00 37.83 36.70 1wpg s LYS 960 CO 0.08 -0.21 -0.07 0.00 -0.36 0.00 0.00 175.35 174.79 1wpg n ALA 961 N 5.21 -3.03 -2.41 3.13 0.00 -1.26 -4.81 120.51 117.34 1wpg n ALA 961 Ca -0.08 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 1wpg n ALA 961 Cb 0.52 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1wpg n ALA 961 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wpg s LEU 962 N 4.25 2.25 1.18 0.00 2.34 -1.26 -5.06 118.68 122.38 1wpg s LEU 962 Ca 0.57 -0.66 -0.20 0.00 0.06 0.00 0.00 54.13 53.90 1wpg s LEU 962 Cb -0.42 -1.17 0.29 0.00 -0.56 0.00 0.00 46.19 44.33 1wpg s LEU 962 CO 0.66 0.19 1.18 1.51 -1.06 0.00 0.00 176.35 178.84 1wpg s ASP 963 N -1.66 1.16 0.11 1.48 1.47 -1.26 -4.76 116.67 113.20 1wpg s ASP 963 Ca 0.11 0.39 -0.23 0.00 1.18 0.00 0.00 52.55 54.00 1wpg s ASP 963 Cb -0.10 -0.47 -0.09 0.00 -0.34 0.00 0.00 42.92 41.92 1wpg s ASP 963 CO 0.04 -3.96 1.69 -0.07 0.68 0.00 0.00 175.17 173.56 1wpg h LEU 964 N -2.47 -0.30 -1.32 2.11 3.38 -2.01 -2.01 115.31 112.69 1wpg h LEU 964 Ca -0.43 0.05 0.13 0.00 0.09 0.00 0.00 57.88 57.71 1wpg h LEU 964 Cb 1.26 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 1wpg h LEU 964 CO 0.29 -0.15 0.55 0.74 0.09 0.00 0.00 178.44 179.96 1wpg h THR 965 N -0.18 0.88 0.03 0.22 2.02 -1.99 -1.21 112.91 112.67 1wpg h THR 965 Ca 0.04 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1wpg h THR 965 Cb 0.23 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1wpg h THR 965 CO -0.10 0.13 -0.02 1.56 0.37 0.00 0.00 175.52 177.46 1wpg h GLN 966 N 0.70 -0.04 -0.52 6.66 1.08 -1.73 -3.01 115.11 118.24 1wpg h GLN 966 Ca 0.41 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.59 1wpg h GLN 966 Cb 0.62 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 1wpg h GLN 966 CO -0.18 0.18 0.21 -1.49 -0.95 0.00 0.00 178.83 176.60 1wpg h TRP 967 N -0.26 0.75 0.00 2.96 4.06 -0.74 -0.90 115.95 121.82 1wpg h TRP 967 Ca -0.00 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 1wpg h TRP 967 Cb 0.24 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1wpg h TRP 967 CO -0.00 0.58 -0.00 -0.07 -3.56 0.00 0.00 178.44 175.39 1wpg h LEU 968 N 0.74 0.00 0.01 -4.49 3.38 -1.15 -0.68 115.31 113.13 1wpg h LEU 968 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wpg h LEU 968 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wpg h LEU 968 CO -0.02 0.00 -0.01 -0.03 0.09 0.00 0.00 178.44 178.48 1wpg h MET 969 N 0.00 -0.01 -0.94 1.13 4.05 -1.04 -3.27 114.93 114.84 1wpg h MET 969 Ca -0.00 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 1wpg h MET 969 Cb 0.01 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.74 1wpg h MET 969 CO 0.00 0.79 0.60 0.28 0.23 0.00 0.00 176.91 178.81 1wpg h VAL 970 N -0.88 0.90 0.00 -5.77 2.07 -1.01 0.22 116.25 111.79 1wpg h VAL 970 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1wpg h VAL 970 Cb 0.81 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1wpg h VAL 970 CO 0.00 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1wpg n LEU 971 N -4.58 0.00 -0.25 2.57 4.77 -0.34 -1.63 117.00 117.55 1wpg n LEU 971 Ca 0.18 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1wpg n LEU 971 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1wpg n LEU 971 CO 0.29 0.00 0.20 0.29 -1.33 0.00 0.00 177.39 176.84 1wpg n LYS 972 N -0.97 2.06 0.00 3.23 4.76 0.77 -3.83 118.16 124.17 1wpg n LYS 972 Ca 0.14 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1wpg n LYS 972 Cb 0.07 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1wpg n LYS 972 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1wpg n ILE 973 N -0.35 0.00 -0.08 -0.18 5.41 -0.95 -4.72 119.36 118.49 1wpg n ILE 973 Ca 0.05 -0.42 -0.13 0.00 1.00 0.00 0.00 62.75 63.25 1wpg n ILE 973 Cb 0.26 0.94 -0.04 0.00 -0.71 0.00 0.00 39.64 40.09 1wpg n ILE 973 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1wpg n SER 974 N -0.99 1.71 -0.31 4.38 7.64 -0.64 -4.67 113.62 120.73 1wpg n SER 974 Ca 0.00 0.29 0.12 0.00 1.01 0.00 0.00 58.87 60.29 1wpg n SER 974 Cb 0.00 -0.66 0.30 0.00 -1.01 0.00 0.00 64.21 62.84 1wpg n SER 974 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wpg h LEU 975 N -0.80 0.49 -0.18 -3.43 -0.00 -1.77 -0.26 115.31 109.36 1wpg h LEU 975 Ca -0.20 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1wpg h LEU 975 Cb 1.04 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1wpg h LEU 975 CO -0.12 0.11 0.00 -0.81 -0.00 0.00 0.00 178.44 177.62 1wpg n PRO 976 N -4.94 0.02 0.17 1.13 -0.04 -1.26 -1.52 135.00 128.56 1wpg n PRO 976 Ca 0.22 0.51 0.02 0.00 -0.04 0.00 0.00 63.50 64.20 1wpg n PRO 976 Cb 0.60 -1.56 0.34 0.00 -0.04 0.00 0.00 33.50 32.84 1wpg n PRO 976 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wpg h VAL 977 N 0.00 1.28 -0.01 0.52 3.04 -1.31 -1.37 116.25 118.40 1wpg h VAL 977 Ca 0.00 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1wpg h VAL 977 Cb 0.01 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1wpg h VAL 977 CO 0.00 0.38 0.00 0.40 -1.01 0.00 0.00 177.57 177.34 1wpg h ILE 978 N 0.02 1.18 -0.23 3.17 2.04 -1.46 -1.74 117.51 120.50 1wpg h ILE 978 Ca -0.00 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1wpg h ILE 978 Cb 0.68 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1wpg h ILE 978 CO 0.05 0.14 -0.05 1.23 0.00 0.00 0.00 178.15 179.52 1wpg h GLY 979 N -0.21 0.37 0.65 5.37 0.00 -1.65 0.91 103.07 108.52 1wpg h GLY 979 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1wpg h GLY 979 CO -0.00 0.20 -0.41 -2.00 0.00 0.00 0.00 176.54 174.33 1wpg h LEU 980 N 0.34 -1.03 -1.25 3.11 5.85 -0.88 -1.67 115.31 119.78 1wpg h LEU 980 Ca 0.07 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1wpg h LEU 980 Cb 0.30 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1wpg h LEU 980 CO 0.01 -0.62 -0.05 -0.78 -0.34 0.00 0.00 178.44 176.66 1wpg h ASP 981 N -0.99 0.43 -0.35 1.25 3.58 -1.22 -2.02 116.42 117.10 1wpg h ASP 981 Ca -0.09 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.31 1wpg h ASP 981 Cb 0.80 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1wpg h ASP 981 CO 0.09 0.53 0.23 -0.08 -2.88 0.00 0.00 179.24 177.13 1wpg h GLU 982 N 0.43 0.32 -0.01 0.28 4.57 -0.61 -0.71 114.58 118.85 1wpg h GLU 982 Ca 0.09 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1wpg h GLU 982 Cb 0.36 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1wpg h GLU 982 CO 0.02 0.21 -0.24 0.82 -1.18 0.00 0.00 179.01 178.63 1wpg h ILE 983 N 0.33 1.53 -0.82 2.32 1.08 -0.58 -2.90 117.51 118.47 1wpg h ILE 983 Ca 0.14 -1.89 0.14 0.00 -0.39 0.00 0.00 64.86 62.87 1wpg h ILE 983 Cb 0.16 2.69 -0.06 0.00 -3.07 0.00 0.00 36.82 36.54 1wpg h ILE 983 CO -0.03 0.52 0.54 -0.07 -0.69 0.00 0.00 178.15 178.41 1wpg h LEU 984 N -0.46 0.53 -0.26 1.44 3.38 -1.00 -0.12 115.31 118.81 1wpg h LEU 984 Ca -0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1wpg h LEU 984 Cb 0.98 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1wpg h LEU 984 CO 0.05 0.27 -0.07 0.11 0.09 0.00 0.00 178.44 178.89 1wpg h LYS 985 N 0.56 0.51 -0.98 1.13 1.57 -1.18 -2.92 116.57 115.26 1wpg h LYS 985 Ca 0.40 -0.20 0.12 0.00 -1.87 0.00 0.00 60.65 59.10 1wpg h LYS 985 Cb 0.76 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 1wpg h LYS 985 CO -0.16 0.74 0.62 0.35 -0.57 0.00 0.00 179.45 180.43 1wpg h PHE 986 N 0.26 1.09 0.00 -1.35 3.57 -0.84 -0.37 116.94 119.30 1wpg h PHE 986 Ca 0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1wpg h PHE 986 Cb 0.55 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1wpg h PHE 986 CO 0.05 0.43 -0.27 0.82 -2.23 0.00 0.00 178.31 177.11 1wpg h ILE 987 N 0.95 0.97 0.01 1.41 2.04 -1.15 -3.17 117.51 118.57 1wpg h ILE 987 Ca 0.49 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1wpg h ILE 987 Cb 0.51 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1wpg h ILE 987 CO -0.25 0.27 -0.01 0.00 0.00 0.00 0.00 178.15 178.16 1wpg h ALA 988 N 1.73 -0.02 0.00 1.87 0.00 -0.91 -1.78 119.26 120.15 1wpg h ALA 988 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wpg h ALA 988 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wpg h ALA 988 CO 0.04 -0.06 0.00 2.89 0.00 0.00 0.00 179.25 182.12 1wpg n ARG 989 N -4.69 0.66 0.03 0.00 1.85 -0.95 -2.65 116.66 110.91 1wpg n ARG 989 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1wpg n ARG 989 Cb 0.38 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 1wpg n ARG 989 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1wpg n ASN 990 N -0.39 -0.03 0.26 2.89 3.02 -1.20 -4.76 115.26 115.05 1wpg n ASN 990 Ca 0.00 0.10 0.18 0.00 -0.03 0.00 0.00 54.58 54.83 1wpg n ASN 990 Cb 0.03 0.08 0.82 0.00 -0.61 0.00 0.00 39.78 40.10 1wpg n ASN 990 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1wpg h TYR 991 N 0.00 0.00 -3.90 3.10 3.20 -1.50 -3.44 116.97 114.44 1wpg h TYR 991 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wpg h TYR 991 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1wpg h TYR 991 CO 0.00 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.80 1wpg n LEU 992 N -2.88 0.00 0.01 2.82 4.77 -1.08 -5.02 117.00 115.62 1wpg n LEU 992 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1wpg n LEU 992 Cb 0.19 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1wpg n LEU 992 CO 0.22 -0.20 0.83 -0.08 -1.33 0.00 0.00 177.39 176.83 1wpg h GLU 993 N 0.00 0.06 0.00 3.23 4.81 -1.85 -3.45 114.58 117.38 1wpg h GLU 993 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1wpg h GLU 993 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1wpg h GLU 993 CO 0.00 0.16 0.00 0.41 -0.73 0.00 0.00 179.01 178.85