#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 2.74 -1.35 2.12 2.02 -1.26 -4.45 118.70 118.52 1wpg s GLU 2 Ca 0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1wpg s GLU 2 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 34.13 31.70 1wpg s GLU 2 CO 0.00 -0.49 0.45 0.00 0.02 0.00 0.00 175.26 175.24 1wpg n ALA 3 N -2.15 -0.99 0.02 5.21 0.00 -1.26 -4.87 120.51 116.47 1wpg n ALA 3 Ca 0.06 0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.68 1wpg n ALA 3 Cb 0.59 -2.94 0.41 0.00 0.00 0.00 0.00 19.45 17.51 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 0.99 1.65 -0.02 0.00 0.00 -1.94 -2.34 119.26 117.58 1wpg h ALA 4 Ca -0.44 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1wpg h ALA 4 Cb 1.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wpg h ALA 4 CO 0.52 0.29 -0.34 1.12 0.00 0.00 0.00 179.25 180.85 1wpg h HIS 5 N 0.50 0.05 0.00 0.00 2.07 -1.90 -2.85 115.15 113.02 1wpg h HIS 5 Ca 0.13 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1wpg h HIS 5 Cb 0.04 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.00 1wpg h HIS 5 CO 0.00 0.38 -0.71 -1.13 -3.07 0.00 0.00 177.93 173.40 1wpg n SER 6 N -4.13 0.64 -4.86 3.10 3.41 -0.95 -1.11 113.62 109.72 1wpg n SER 6 Ca -0.02 -0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 1wpg n SER 6 Cb 0.39 0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 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 -3.14 3.75 0.72 4.33 1.02 -0.92 -4.63 119.74 120.86 1wpg s LYS 7 Ca 0.06 0.81 -0.08 0.00 0.02 0.00 0.00 55.97 56.79 1wpg s LYS 7 Cb 0.14 -2.12 0.06 0.00 -0.52 0.00 0.00 37.83 35.40 1wpg s LYS 7 CO 0.74 -0.42 1.05 -1.54 -0.92 0.00 0.00 175.35 174.25 1wpg s SER 8 N -3.69 4.78 0.16 2.83 1.04 -1.26 -4.60 113.70 112.96 1wpg s SER 8 Ca 0.56 0.53 -0.15 0.00 0.48 0.00 0.00 55.95 57.38 1wpg s SER 8 Cb -0.11 -1.16 0.08 0.00 0.10 0.00 0.00 66.02 64.93 1wpg s SER 8 CO 0.44 -1.64 1.79 0.74 0.98 0.00 0.00 173.24 175.54 1wpg h THR 9 N -0.68 0.99 -0.55 2.02 2.02 -1.91 -2.37 112.91 112.43 1wpg h THR 9 Ca -0.45 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 66.60 1wpg h THR 9 Cb 1.32 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1wpg h THR 9 CO 0.61 0.08 0.34 -0.33 0.37 0.00 0.00 175.52 176.60 1wpg h GLU 10 N 0.45 0.66 -0.59 6.66 3.07 -1.98 -2.47 114.58 120.38 1wpg h GLU 10 Ca 0.18 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1wpg h GLU 10 Cb 0.07 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 1wpg h GLU 10 CO -0.12 0.43 0.22 0.93 -1.40 0.00 0.00 179.01 179.07 1wpg h GLU 11 N 0.68 0.87 -0.29 2.33 5.08 -1.85 0.99 114.58 122.39 1wpg h GLU 11 Ca 0.21 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1wpg h GLU 11 Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1wpg h GLU 11 CO -0.08 0.73 -0.01 0.00 -1.00 0.00 0.00 179.01 178.64 1wpg h LEU 13 N 0.31 0.55 -1.60 0.00 3.38 -1.19 -2.51 115.31 114.24 1wpg h LEU 13 Ca 0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1wpg h LEU 13 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1wpg h LEU 13 CO 0.02 0.47 -0.22 0.00 0.09 0.00 0.00 178.44 178.80 1wpg h ALA 14 N 1.10 1.47 -0.60 1.53 0.00 -0.56 0.05 119.26 122.25 1wpg h ALA 14 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1wpg h ALA 14 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wpg h ALA 14 CO -0.03 0.27 0.05 -0.92 0.00 0.00 0.00 179.25 178.62 1wpg h TYR 15 N 0.00 1.09 -0.01 0.00 5.03 -0.28 -2.78 116.97 120.02 1wpg h TYR 15 Ca -0.00 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.15 1wpg h TYR 15 Cb 0.43 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.41 1wpg h TYR 15 CO 0.00 0.95 -0.48 1.19 -1.32 0.00 0.00 178.16 178.50 1wpg n PHE 16 N -4.20 0.00 -3.56 -3.82 3.01 -1.11 -4.98 117.46 102.80 1wpg n PHE 16 Ca 0.04 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.29 1wpg n PHE 16 Cb 0.31 -0.03 0.07 0.00 -0.01 0.00 0.00 39.48 39.82 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 1.41 -0.39 3.27 1.37 0.00 -0.03 -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 46.02 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 -3.42 1.67 0.04 1.61 0.11 -0.98 -5.04 120.40 114.39 1wpg s VAL 18 Ca 0.17 -1.39 -0.13 0.00 -2.93 0.00 0.00 61.98 57.70 1wpg s VAL 18 Cb -0.08 -1.49 -0.06 0.00 -1.53 0.00 0.00 36.38 33.22 1wpg s VAL 18 CO 0.76 0.04 0.42 -0.55 -3.33 0.00 0.00 175.10 172.44 1wpg s SER 19 N -1.61 6.76 0.56 3.54 0.15 -1.26 -4.67 113.70 117.17 1wpg s SER 19 Ca 0.06 0.93 0.31 0.00 0.70 0.00 0.00 55.95 57.95 1wpg s SER 19 Cb -0.09 -2.23 1.68 0.00 -1.71 0.00 0.00 66.02 63.66 1wpg s SER 19 CO 0.03 0.25 2.16 -0.08 1.20 0.00 0.00 173.24 176.80 1wpg h GLU 20 N 4.27 0.00 -0.59 5.44 4.81 -1.97 -1.85 114.58 124.69 1wpg h GLU 20 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 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 0.07 0.00 0.25 -0.73 0.00 0.00 179.01 179.23 1wpg n THR 21 N -3.57 1.35 0.00 0.32 -2.24 -1.26 -4.63 114.28 104.25 1wpg n THR 21 Ca -0.02 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1wpg n THR 21 Cb 0.18 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.08 0.00 0.00 4.28 -2.24 -1.05 -5.04 114.28 111.31 1wpg n THR 22 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1wpg n THR 22 Cb 0.68 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.88 -0.67 3.74 3.38 0.00 -0.72 -0.61 105.19 112.18 1wpg n GLY 23 Ca 0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.96 3.31 0.43 0.99 1.43 -1.25 -3.37 118.68 118.26 1wpg s LEU 24 Ca 0.00 2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 55.21 1wpg s LEU 24 Cb 0.00 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 1wpg s LEU 24 CO 0.00 -2.07 0.79 0.42 0.23 0.00 0.00 176.35 175.72 1wpg s THR 25 N -2.16 4.80 0.45 5.49 -4.23 -1.26 -0.52 115.64 118.20 1wpg s THR 25 Ca 0.71 0.58 0.16 0.00 -1.18 0.00 0.00 61.69 61.95 1wpg s THR 25 Cb -0.25 -3.76 0.34 0.00 1.34 0.00 0.00 72.50 70.16 1wpg s THR 25 CO 0.45 -0.62 1.98 -0.65 -0.54 0.00 0.00 174.62 175.24 1wpg h PRO 26 N 0.98 0.33 -0.12 3.99 0.11 -1.96 -0.83 132.00 134.49 1wpg h PRO 26 Ca -0.47 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1wpg h PRO 26 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wpg h PRO 26 CO 0.63 0.22 -0.72 -0.44 -0.21 0.00 0.00 178.00 177.48 1wpg h ASP 27 N 0.34 0.67 -0.79 -2.05 3.32 -2.00 -2.61 116.42 113.30 1wpg h ASP 27 Ca 0.28 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1wpg h ASP 27 Cb 0.64 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1wpg h ASP 27 CO -0.07 1.18 0.48 1.56 -1.72 0.00 0.00 179.24 180.67 1wpg h GLN 28 N 0.40 1.07 -0.67 3.56 4.20 -1.57 -1.26 115.11 120.83 1wpg h GLN 28 Ca -0.03 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.61 1wpg h GLN 28 Cb 1.30 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 1wpg h GLN 28 CO 0.13 0.75 0.43 0.28 -0.67 0.00 0.00 178.83 179.75 1wpg h VAL 29 N 1.08 1.11 -0.66 -0.54 2.07 -1.18 0.86 116.25 118.98 1wpg h VAL 29 Ca 0.28 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1wpg h VAL 29 Cb -0.05 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1wpg h VAL 29 CO -0.05 0.15 0.18 0.11 0.02 0.00 0.00 177.57 177.98 1wpg h LYS 30 N 0.85 1.05 -0.17 1.57 1.57 -1.05 0.24 116.57 120.61 1wpg h LYS 30 Ca 0.27 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1wpg h LYS 30 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1wpg h LYS 30 CO -0.09 0.93 0.05 -0.09 -0.57 0.00 0.00 179.45 179.67 1wpg h ARG 31 N 0.98 0.27 -0.79 3.15 9.65 -0.76 -2.45 114.38 124.43 1wpg h ARG 31 Ca 0.21 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1wpg h ARG 31 Cb 0.33 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 1wpg h ARG 31 CO -0.00 0.40 0.30 0.45 2.80 0.00 0.00 179.97 183.92 1wpg h HIS 32 N 0.09 1.22 -0.43 2.20 3.86 -0.65 -0.52 115.15 120.91 1wpg h HIS 32 Ca 0.05 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1wpg h HIS 32 Cb 0.25 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1wpg h HIS 32 CO 0.00 0.93 0.29 1.25 0.86 0.00 0.00 177.93 181.26 1wpg h LEU 33 N 1.16 0.47 0.00 2.43 5.85 -0.37 0.66 115.31 125.51 1wpg h LEU 33 Ca 0.26 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.74 1wpg h LEU 33 Cb 0.24 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1wpg h LEU 33 CO -0.02 0.34 -1.32 -0.08 -0.34 0.00 0.00 178.44 177.02 1wpg h GLU 34 N 0.55 0.00 0.18 1.25 4.57 -1.03 0.20 114.58 120.31 1wpg h GLU 34 Ca 0.16 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.05 1wpg h GLU 34 Cb -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1wpg h GLU 34 CO -0.04 0.64 -1.28 -0.22 -1.18 0.00 0.00 179.01 176.93 1wpg h LYS 35 N 0.00 0.54 -0.00 1.92 3.64 -0.35 -3.37 116.57 118.95 1wpg h LYS 35 Ca -0.15 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 58.40 1wpg h LYS 35 Cb 1.81 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1wpg h LYS 35 CO 0.09 1.39 -0.59 0.66 -2.27 0.00 0.00 179.45 178.72 1wpg n TYR 36 N -3.82 0.00 -0.05 1.91 4.02 0.22 -5.07 117.16 114.37 1wpg n TYR 36 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.74 1wpg n TYR 36 Cb 1.01 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.33 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 1.28 -1.31 3.81 2.72 0.00 0.06 -4.91 105.19 106.85 1wpg n GLY 37 Ca 0.03 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.06 3.11 -1.33 1.61 3.76 -1.26 -4.68 115.29 115.44 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 -2.96 0.09 0.00 1.11 0.00 0.00 32.58 30.82 1wpg s HIS 38 CO 0.00 -0.84 1.84 -1.71 -0.85 0.00 0.00 174.74 173.18 1wpg n ASN 39 N -1.66 4.71 -3.93 1.40 5.15 -0.12 -4.35 115.26 116.46 1wpg n ASN 39 Ca 0.08 -2.93 -0.09 0.00 -0.60 0.00 0.00 54.58 51.04 1wpg n ASN 39 Cb 0.53 -1.66 -0.09 0.00 -0.53 0.00 0.00 39.78 38.03 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 3.02 0.57 -0.25 1.20 2.02 -1.26 -4.00 118.70 120.00 1wpg s GLU 40 Ca 0.48 -0.72 -0.14 0.00 0.02 0.00 0.00 54.97 54.62 1wpg s GLU 40 Cb 0.06 0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1wpg s GLU 40 CO 0.01 -0.14 0.32 -0.51 0.02 0.00 0.00 175.26 174.96 1wpg s LEU 41 N -2.03 4.08 0.20 1.80 1.02 -1.26 -4.19 118.68 118.30 1wpg s LEU 41 Ca -0.06 0.28 -0.32 0.00 0.02 0.00 0.00 54.13 54.05 1wpg s LEU 41 Cb -0.02 -2.35 -0.12 0.00 0.02 0.00 0.00 46.19 43.72 1wpg s LEU 41 CO -0.04 -0.09 1.74 -0.81 0.02 0.00 0.00 176.35 177.18 1wpg n PRO 42 N 4.86 2.79 -1.85 1.29 -0.04 -1.26 -4.96 135.00 135.82 1wpg n PRO 42 Ca -0.10 1.01 -0.32 0.00 -0.04 0.00 0.00 63.50 64.04 1wpg n PRO 42 Cb 0.51 -2.86 0.03 0.00 -0.04 0.00 0.00 33.50 31.14 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 1.43 2.69 -0.35 0.55 0.00 -1.26 -5.03 121.76 119.79 1wpg s ALA 43 Ca 0.76 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 1wpg s ALA 43 Cb -0.50 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.45 1wpg s ALA 43 CO 0.33 -0.99 0.13 -2.00 0.00 0.00 0.00 175.76 173.23 1wpg s GLU 44 N -4.42 2.61 0.21 0.00 2.12 -1.26 -5.08 118.70 112.88 1wpg s GLU 44 Ca 0.62 -1.23 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 1wpg s GLU 44 Cb -0.15 -3.52 -0.09 0.00 0.26 0.00 0.00 34.13 30.62 1wpg s GLU 44 CO 0.44 -0.72 1.34 -1.21 -0.54 0.00 0.00 175.26 174.57 1wpg s GLU 45 N 1.40 4.36 0.56 4.30 2.02 -1.26 -5.02 118.70 125.06 1wpg s GLU 45 Ca -0.00 2.12 -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 -0.29 0.89 0.20 0.02 0.00 0.00 175.26 176.11 1wpg s GLY 46 N 0.32 1.57 0.23 -1.39 0.00 -1.26 -5.02 107.32 101.78 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 -0.23 1.38 0.54 0.00 0.00 0.00 173.10 175.18 1wpg s LYS 47 N -4.95 4.32 1.02 2.90 1.02 -1.26 -4.99 119.74 117.79 1wpg s LYS 47 Ca 0.52 2.19 -0.12 0.00 0.02 0.00 0.00 55.97 58.58 1wpg s LYS 47 Cb -0.11 -3.14 0.20 0.00 -0.52 0.00 0.00 37.83 34.26 1wpg s LYS 47 CO 0.47 -0.33 1.08 -1.54 -0.92 0.00 0.00 175.35 174.11 1wpg s SER 48 N 0.29 2.21 0.24 2.83 1.04 -1.26 -4.78 113.70 114.26 1wpg s SER 48 Ca 0.57 1.74 -0.07 0.00 0.48 0.00 0.00 55.95 58.67 1wpg s SER 48 Cb -0.39 -2.36 0.25 0.00 0.10 0.00 0.00 66.02 63.61 1wpg s SER 48 CO 0.42 -3.47 1.90 0.25 0.98 0.00 0.00 173.24 173.32 1wpg h LEU 49 N -2.12 1.02 -0.43 2.42 5.85 -2.00 -1.80 115.31 118.24 1wpg h LEU 49 Ca -0.53 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 1wpg h LEU 49 Cb 1.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1wpg h LEU 49 CO 0.48 0.72 -0.01 -0.25 -0.34 0.00 0.00 178.44 179.05 1wpg h TRP 50 N 1.20 0.84 -0.78 1.25 -0.00 -2.00 -2.90 115.95 113.56 1wpg h TRP 50 Ca 0.35 -0.15 0.05 0.00 -0.00 0.00 0.00 58.89 59.13 1wpg h TRP 50 Cb -0.08 -0.22 -0.05 0.00 -0.00 0.00 0.00 29.16 28.81 1wpg h TRP 50 CO -0.01 0.83 0.51 1.49 -0.00 0.00 0.00 178.44 181.26 1wpg h GLU 51 N 0.61 0.88 -0.49 2.65 4.57 -1.76 -1.61 114.58 119.43 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 0.50 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1wpg h GLU 51 CO 0.02 0.58 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.33 1wpg h LEU 52 N 0.90 0.83 0.07 1.64 3.38 -1.16 -2.77 115.31 118.20 1wpg h LEU 52 Ca 0.32 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wpg h LEU 52 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wpg h LEU 52 CO -0.10 0.92 -0.03 0.58 0.09 0.00 0.00 178.44 179.89 1wpg h VAL 53 N 0.78 1.12 -0.72 1.22 2.07 -1.14 -2.91 116.25 116.67 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 0.52 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1wpg h VAL 53 CO 0.03 0.17 0.50 0.40 0.02 0.00 0.00 177.57 178.69 1wpg h ILE 54 N -0.40 0.68 0.00 4.57 2.04 -1.27 0.39 117.51 123.51 1wpg h ILE 54 Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1wpg h ILE 54 Cb 0.35 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1wpg h ILE 54 CO 0.02 0.02 0.00 -0.33 0.00 0.00 0.00 178.15 177.86 1wpg h GLU 55 N 0.10 0.00 0.00 2.37 5.08 -1.30 -2.95 114.58 117.88 1wpg h GLU 55 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 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 -0.04 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.01 1wpg n GLN 56 N -2.38 0.18 -0.66 2.33 1.13 0.13 -3.09 117.38 115.03 1wpg n GLN 56 Ca 0.05 0.22 0.02 0.00 -1.94 0.00 0.00 57.00 55.34 1wpg n GLN 56 Cb 0.40 -1.74 0.20 0.00 0.11 0.00 0.00 30.24 29.21 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 -2.07 0.53 -0.01 1.08 3.72 -1.11 -4.58 117.46 115.02 1wpg n PHE 57 Ca 0.05 -1.49 -0.05 0.00 -0.05 0.00 0.00 57.45 55.91 1wpg n PHE 57 Cb 0.35 -0.36 -0.12 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 -1.70 -1.08 1.02 -1.18 -4.77 120.64 112.46 1wpg n GLU 58 Ca 0.25 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 57.18 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 -2.92 2.73 0.32 1.62 2.03 -1.26 -4.93 116.55 114.15 1wpg n ASP 59 Ca -0.16 1.20 -0.17 0.00 0.52 0.00 0.00 54.79 56.18 1wpg n ASP 59 Cb 0.97 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 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 2.51 -0.66 -1.02 -2.67 5.85 -1.96 -2.54 115.31 114.82 1wpg h LEU 60 Ca -0.46 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1wpg h LEU 60 Cb 1.28 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.42 1wpg h LEU 60 CO 0.62 -0.41 0.65 -0.07 -0.34 0.00 0.00 178.44 178.89 1wpg h LEU 61 N -0.88 1.04 -1.71 2.25 3.38 -1.92 0.27 115.31 117.75 1wpg h LEU 61 Ca -0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1wpg h LEU 61 Cb 0.64 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wpg h LEU 61 CO 0.13 0.67 -0.14 0.58 0.09 0.00 0.00 178.44 179.77 1wpg h VAL 62 N 1.18 1.10 0.01 1.22 2.07 -1.93 0.22 116.25 120.13 1wpg h VAL 62 Ca 0.43 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1wpg h VAL 62 Cb 0.15 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1wpg h VAL 62 CO -0.17 0.14 -0.50 0.03 0.02 0.00 0.00 177.57 177.09 1wpg h ARG 63 N 0.01 0.32 -0.93 1.57 3.08 -0.59 -1.67 114.38 116.17 1wpg h ARG 63 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1wpg h ARG 63 Cb 0.25 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1wpg h ARG 63 CO 0.02 1.06 0.59 0.82 -1.07 0.00 0.00 179.97 181.39 1wpg h ILE 64 N -0.27 1.24 0.00 2.04 1.08 -0.57 0.47 117.51 121.51 1wpg h ILE 64 Ca -0.07 -0.47 -0.09 0.00 -0.39 0.00 0.00 64.86 63.84 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 -0.41 0.25 -0.69 0.00 0.00 178.15 177.64 1wpg h LEU 65 N 1.26 0.00 0.08 1.44 5.85 -0.59 -1.41 115.31 121.94 1wpg h LEU 65 Ca 0.34 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.77 1wpg h LEU 65 Cb -0.12 0.00 0.03 0.00 0.37 0.00 0.00 40.66 40.94 1wpg h LEU 65 CO -0.07 0.41 -1.16 0.25 -0.34 0.00 0.00 178.44 177.53 1wpg h LEU 66 N 0.00 0.88 -0.45 2.25 5.85 -0.06 -2.73 115.31 121.06 1wpg h LEU 66 Ca -0.00 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1wpg h LEU 66 Cb 0.82 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1wpg h LEU 66 CO 0.05 1.58 0.26 0.25 -0.34 0.00 0.00 178.44 180.24 1wpg h LEU 67 N 0.29 0.55 -1.82 2.25 5.85 0.08 -1.37 115.31 121.13 1wpg h LEU 67 Ca -0.17 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1wpg h LEU 67 Cb 1.83 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 1wpg h LEU 67 CO 0.22 0.46 -0.08 0.00 -0.34 0.00 0.00 178.44 178.70 1wpg h ALA 68 N 1.11 1.85 0.02 1.25 0.00 -1.31 -1.07 119.26 121.11 1wpg h ALA 68 Ca 0.16 -0.08 -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 -0.01 0.00 0.00 0.00 0.00 179.25 179.32 1wpg h ALA 69 N 1.91 -0.03 -0.31 0.00 0.00 -0.94 0.61 119.26 120.51 1wpg h ALA 69 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wpg h ALA 69 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wpg h ALA 69 CO 0.01 -0.36 0.12 0.00 0.00 0.00 0.00 179.25 179.02 1wpg h ILE 71 N 0.34 1.11 0.00 0.00 2.04 -1.20 0.74 117.51 120.54 1wpg h ILE 71 Ca 0.10 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 1wpg h ILE 71 Cb 0.20 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1wpg h ILE 71 CO -0.01 0.16 -0.49 -1.28 0.00 0.00 0.00 178.15 176.53 1wpg h SER 72 N 0.85 0.00 0.60 1.72 0.87 -0.21 -2.37 113.55 115.00 1wpg h SER 72 Ca 0.27 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 1wpg h SER 72 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1wpg h SER 72 CO -0.07 0.49 -0.88 0.15 -0.53 0.00 0.00 176.83 175.99 1wpg h PHE 73 N 0.00 0.28 -0.06 2.24 3.04 0.13 -2.80 116.94 119.77 1wpg h PHE 73 Ca -0.00 -0.15 -0.03 0.00 3.98 0.00 0.00 57.97 61.76 1wpg h PHE 73 Cb 0.91 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 1wpg h PHE 73 CO 0.00 0.97 -0.07 0.28 -2.02 0.00 0.00 178.31 177.47 1wpg h VAL 74 N 0.10 1.38 0.00 1.41 2.07 -0.84 -2.86 116.25 117.50 1wpg h VAL 74 Ca -0.04 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1wpg h VAL 74 Cb 1.51 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1wpg h VAL 74 CO 0.13 0.34 0.00 0.18 0.02 0.00 0.00 177.57 178.24 1wpg n LEU 75 N -4.72 0.43 -0.04 2.57 4.32 -0.91 -2.23 117.00 116.42 1wpg n LEU 75 Ca -0.07 0.65 -0.16 0.00 -0.02 0.00 0.00 56.01 56.40 1wpg n LEU 75 Cb 0.30 -0.64 -0.07 0.00 -1.62 0.00 0.00 43.42 41.39 1wpg n LEU 75 CO 0.36 -0.64 0.35 0.00 -1.22 0.00 0.00 177.39 176.24 1wpg h ALA 76 N 2.17 0.32 0.00 -1.18 0.00 -1.25 -2.94 119.26 116.37 1wpg h ALA 76 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wpg h ALA 76 Cb 0.17 -0.03 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 -4.07 0.00 -3.54 0.00 7.02 -0.95 -3.88 117.44 112.03 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 0.66 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.46 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 -0.89 3.04 -3.49 -5.99 3.01 -1.11 -5.05 117.46 106.98 1wpg n PHE 78 Ca 0.11 -4.12 -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 38.96 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 1.00 0.97 -1.08 2.12 -1.25 -4.98 118.70 113.49 1wpg s GLU 79 Ca 0.35 -0.15 -0.13 0.00 0.36 0.00 0.00 54.97 55.40 1wpg s GLU 79 Cb 0.09 0.46 0.08 0.00 0.26 0.00 0.00 34.13 35.03 1wpg s GLU 79 CO -0.07 -0.39 0.57 -0.85 -0.54 0.00 0.00 175.26 173.98 1wpg n GLU 80 N 0.14 -0.58 -0.52 4.30 0.00 -1.26 -4.91 120.64 117.81 1wpg n GLU 80 Ca -0.14 -0.12 0.07 0.00 0.00 0.00 0.00 57.16 56.96 1wpg n GLU 80 Cb 0.61 -1.98 0.28 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 1.24 2.22 0.10 -1.84 0.00 -1.26 -4.08 105.19 101.56 1wpg n GLY 81 Ca 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 3.10 0.00 -1.29 1.61 4.11 -2.07 -3.40 114.58 116.64 1wpg h GLU 82 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.99 1wpg h GLU 82 Cb 1.27 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.22 1wpg h GLU 82 CO 0.23 0.56 -0.89 0.39 0.07 0.00 0.00 179.01 179.37 1wpg n GLU 83 N -3.14 0.76 -0.08 1.06 1.02 -1.26 -4.93 120.64 114.08 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 0.86 -1.32 -0.15 0.00 -0.02 0.00 0.00 31.44 30.81 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 1.39 1.05 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 60.56 1wpg n THR 84 Cb 0.58 -0.39 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 0.57 -0.58 1.09 6.09 -1.93 -2.51 117.51 120.23 1wpg h ILE 85 Ca -0.41 -0.52 -0.40 0.00 -1.37 0.00 0.00 64.86 62.15 1wpg h ILE 85 Cb 1.93 1.34 -0.27 0.00 0.47 0.00 0.00 36.82 40.29 1wpg h ILE 85 CO 0.02 0.11 -0.35 0.35 -3.07 0.00 0.00 178.15 175.22 1wpg n THR 86 N -3.65 2.65 -0.02 2.19 -2.24 -1.26 -4.56 114.28 107.39 1wpg n THR 86 Ca -0.02 -3.53 -0.02 0.00 -2.27 0.00 0.00 64.05 58.21 1wpg n THR 86 Cb 0.24 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 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 -0.90 1.90 0.51 6.98 0.00 -0.95 -4.60 120.51 123.46 1wpg n ALA 87 Ca 0.41 -0.26 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1wpg n ALA 87 Cb 0.91 0.20 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 -2.24 0.61 0.00 0.00 3.01 -1.25 -4.12 117.46 113.47 1wpg n PHE 88 Ca -0.07 -0.21 -0.12 0.00 1.01 0.00 0.00 57.45 58.05 1wpg n PHE 88 Cb 0.63 -0.20 -0.10 0.00 -0.01 0.00 0.00 39.48 39.80 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 1.24 1.25 -0.29 -4.37 2.07 -1.87 -3.01 116.25 111.26 1wpg h VAL 89 Ca 0.00 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.23 1wpg h VAL 89 Cb 0.88 2.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 1wpg h VAL 89 CO 0.14 0.32 -0.19 -0.08 0.02 0.00 0.00 177.57 177.78 1wpg h GLU 90 N -0.73 -0.16 -0.38 1.57 4.81 -1.93 0.32 114.58 118.09 1wpg h GLU 90 Ca -0.01 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1wpg h GLU 90 Cb 0.59 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1wpg h GLU 90 CO 0.01 -0.10 0.14 -1.35 -0.73 0.00 0.00 179.01 176.98 1wpg h PRO 91 N -0.16 0.29 -0.27 0.92 0.11 -1.83 -1.07 132.00 129.98 1wpg h PRO 91 Ca 0.15 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1wpg h PRO 91 Cb 0.40 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1wpg h PRO 91 CO -0.39 0.19 -0.12 0.74 -0.21 0.00 0.00 178.00 178.21 1wpg h PHE 92 N 0.29 0.64 0.32 0.65 -1.00 -1.31 -2.26 116.94 114.27 1wpg h PHE 92 Ca 0.17 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1wpg h PHE 92 Cb 0.14 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1wpg h PHE 92 CO -0.14 0.80 -0.16 0.28 -1.61 0.00 0.00 178.31 177.48 1wpg h VAL 93 N 0.29 0.69 0.00 -0.55 2.07 -0.25 1.00 116.25 119.50 1wpg h VAL 93 Ca 0.06 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1wpg h VAL 93 Cb 0.62 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 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 -0.45 0.02 0.11 4.57 2.10 -1.25 -1.33 117.51 121.27 1wpg h ILE 94 Ca -0.04 -0.09 -0.31 0.00 1.08 0.00 0.00 64.86 65.49 1wpg h ILE 94 Cb 0.35 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 1wpg h ILE 94 CO 0.07 0.00 -1.65 0.25 -1.08 0.00 0.00 178.15 175.74 1wpg h LEU 95 N 0.00 0.35 -2.09 2.19 5.85 -0.71 -3.18 115.31 117.73 1wpg h LEU 95 Ca -0.00 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 57.87 1wpg h LEU 95 Cb 0.09 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1wpg h LEU 95 CO 0.00 1.71 -0.01 0.25 -0.34 0.00 0.00 178.44 180.05 1wpg h LEU 96 N -0.23 0.00 0.07 2.25 6.46 0.18 -1.25 115.31 122.78 1wpg h LEU 96 Ca -0.36 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1wpg h LEU 96 Cb 1.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 1wpg h LEU 96 CO 0.04 0.01 -0.03 0.40 -0.62 0.00 0.00 178.44 178.24 1wpg h ILE 97 N 0.00 1.14 -0.94 4.05 2.04 -1.40 -2.01 117.51 120.39 1wpg h ILE 97 Ca -0.00 -1.50 0.13 0.00 1.00 0.00 0.00 64.86 64.49 1wpg h ILE 97 Cb 0.02 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.03 1wpg h ILE 97 CO 0.00 0.33 0.60 -0.07 0.00 0.00 0.00 178.15 179.01 1wpg h LEU 98 N -0.86 0.80 -0.61 1.44 4.07 -1.45 0.15 115.31 118.84 1wpg h LEU 98 Ca -0.01 0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 1wpg h LEU 98 Cb 0.61 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1wpg h LEU 98 CO 0.02 0.42 -0.59 0.40 -1.08 0.00 0.00 178.44 177.60 1wpg h ILE 99 N 0.85 1.25 0.13 1.22 2.04 -1.31 -2.54 117.51 119.15 1wpg h ILE 99 Ca 0.47 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 1wpg h ILE 99 Cb 0.58 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1wpg h ILE 99 CO -0.23 0.58 -0.06 0.00 0.00 0.00 0.00 178.15 178.44 1wpg h ALA 100 N 1.41 -0.17 0.00 1.87 0.00 0.01 -0.26 119.26 122.12 1wpg h ALA 100 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wpg h ALA 100 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wpg h ALA 100 CO 0.08 -0.39 0.00 -0.91 0.00 0.00 0.00 179.25 178.03 1wpg h ASN 101 N -0.57 0.00 0.02 0.00 2.35 -1.24 -2.69 115.58 113.44 1wpg h ASN 101 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1wpg h ASN 101 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1wpg h ASN 101 CO 0.03 0.00 -0.33 0.00 -1.65 0.00 0.00 177.43 175.48 1wpg h ALA 102 N 2.06 0.03 0.00 -0.83 0.00 -1.33 -2.23 119.26 116.96 1wpg h ALA 102 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1wpg h ALA 102 Cb 0.47 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wpg h ALA 102 CO 0.00 0.18 -0.05 0.97 0.00 0.00 0.00 179.25 180.34 1wpg h ILE 103 N -0.90 0.92 0.00 0.00 2.10 -0.99 -1.38 117.51 117.27 1wpg h ILE 103 Ca -0.08 -0.19 -0.24 0.00 1.08 0.00 0.00 64.86 65.44 1wpg h ILE 103 Cb 1.15 1.10 -0.04 0.00 -1.09 0.00 0.00 36.82 37.95 1wpg h ILE 103 CO -0.01 0.05 -1.24 0.58 -1.08 0.00 0.00 178.15 176.45 1wpg h VAL 104 N 0.00 1.43 -0.04 2.19 2.07 -1.57 -2.99 116.25 117.33 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 0.10 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1wpg h VAL 104 CO 0.01 0.81 -0.45 1.23 0.02 0.00 0.00 177.57 179.19 1wpg h GLY 105 N 3.15 0.11 1.79 2.17 0.00 -0.63 -2.37 103.07 107.29 1wpg h GLY 105 Ca -0.10 -0.11 -0.24 0.00 0.00 0.00 0.00 47.33 46.88 1wpg h GLY 105 CO 0.11 0.10 -1.14 -2.08 0.00 0.00 0.00 176.54 173.53 1wpg h VAL 106 N 0.09 1.58 -0.44 4.60 2.07 -1.44 -3.13 116.25 119.58 1wpg h VAL 106 Ca 0.00 -3.23 -0.11 0.00 0.82 0.00 0.00 66.70 64.18 1wpg h VAL 106 Cb 0.83 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1wpg h VAL 106 CO 0.06 0.92 -0.17 -0.25 0.02 0.00 0.00 177.57 178.16 1wpg h TRP 107 N 0.03 0.94 0.00 1.57 7.01 -1.36 -1.92 115.95 122.23 1wpg h TRP 107 Ca -0.08 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1wpg h TRP 107 Cb 1.87 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.70 1wpg h TRP 107 CO 0.03 0.94 -0.08 1.96 -2.79 0.00 0.00 178.44 178.49 1wpg h GLN 108 N 0.74 0.00 0.00 2.65 4.20 -1.52 -3.33 115.11 117.85 1wpg h GLN 108 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1wpg h GLN 108 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1wpg h GLN 108 CO 0.05 0.00 -1.75 -1.91 -0.67 0.00 0.00 178.83 174.55 1wpg n GLU 109 N -2.91 0.64 0.00 1.46 2.13 -1.16 -4.14 120.64 116.66 1wpg n GLU 109 Ca 0.04 -0.12 0.13 0.00 0.66 0.00 0.00 57.16 57.87 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 0.02 -1.59 5.31 1.85 -0.73 -3.66 116.66 115.52 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 6.77 -4.22 2.89 3.02 -1.26 -4.89 115.26 116.08 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 -1.18 -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 -2.37 2.77 0.84 5.41 0.00 -1.24 -5.10 121.76 122.07 1wpg s ALA 112 Ca 0.57 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1wpg s ALA 112 Cb 0.40 -1.78 0.10 0.00 0.00 0.00 0.00 23.12 21.83 1wpg s ALA 112 CO -0.27 -0.89 1.09 -1.21 0.00 0.00 0.00 175.76 174.49 1wpg s GLU 113 N 1.34 1.69 -0.22 0.00 2.02 -1.26 -5.03 118.70 117.24 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 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1wpg s GLU 113 CO -0.03 -1.92 0.03 1.21 0.02 0.00 0.00 175.26 174.57 1wpg s ASN 114 N -3.65 4.94 0.27 -0.19 3.84 -1.26 -4.98 114.94 113.91 1wpg s ASN 114 Ca 0.62 -0.21 0.10 0.00 0.21 0.00 0.00 52.86 53.58 1wpg s ASN 114 Cb -0.16 -1.86 0.35 0.00 -0.55 0.00 0.00 41.25 39.03 1wpg s ASN 114 CO 0.56 0.02 1.61 0.00 -2.79 0.00 0.00 177.10 176.50 1wpg h ALA 115 N 7.84 0.98 -0.26 1.71 0.00 -1.93 -2.80 119.26 124.80 1wpg h ALA 115 Ca -0.38 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 53.81 1wpg h ALA 115 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wpg h ALA 115 CO 0.60 0.77 -0.51 0.82 0.00 0.00 0.00 179.25 180.93 1wpg h ILE 116 N 0.01 1.29 -0.84 0.00 1.08 -1.95 -1.72 117.51 115.39 1wpg h ILE 116 Ca -0.01 -1.72 -0.04 0.00 -0.39 0.00 0.00 64.86 62.71 1wpg h ILE 116 Cb 1.09 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.44 1wpg h ILE 116 CO 0.08 0.55 0.38 -0.08 -0.69 0.00 0.00 178.15 178.39 1wpg h GLU 117 N 0.57 1.22 -0.18 2.37 4.81 -1.93 0.24 114.58 121.69 1wpg h GLU 117 Ca 0.02 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 1wpg h GLU 117 Cb 1.08 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1wpg h GLU 117 CO 0.11 0.96 -0.29 0.00 -0.73 0.00 0.00 179.01 179.05 1wpg h ALA 118 N 1.21 1.18 -0.55 2.92 0.00 -1.33 -2.70 119.26 119.98 1wpg h ALA 118 Ca 0.29 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1wpg h ALA 118 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wpg h ALA 118 CO -0.03 0.53 -0.08 1.25 0.00 0.00 0.00 179.25 180.92 1wpg h LEU 119 N 0.30 1.01 -0.67 0.00 5.85 -0.35 -2.64 115.31 118.81 1wpg h LEU 119 Ca 0.04 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wpg h LEU 119 Cb 0.67 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1wpg h LEU 119 CO 0.05 1.11 0.00 0.29 -0.34 0.00 0.00 178.44 179.55 1wpg n LYS 120 N -4.15 0.10 0.00 1.25 5.02 -0.02 -1.52 118.16 118.83 1wpg n LYS 120 Ca 0.02 0.49 0.07 0.00 -2.02 0.00 0.00 58.31 56.87 1wpg n LYS 120 Cb 0.39 -1.75 0.33 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.95 0.10 -0.11 1.97 1.02 -1.00 -1.19 120.64 119.48 1wpg n GLU 121 Ca 0.01 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 1wpg n GLU 121 Cb 0.10 -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 0.30 -3.32 -0.32 4.02 -0.58 -4.76 117.16 111.11 1wpg n TYR 122 Ca 0.05 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.90 57.39 1wpg n TYR 122 Cb 0.14 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.70 3.90 0.51 -0.72 2.02 -0.34 -3.89 118.70 118.49 1wpg s GLU 123 Ca 0.34 0.02 -0.19 0.00 0.02 0.00 0.00 54.97 55.17 1wpg s GLU 123 Cb 0.20 -3.70 -0.07 0.00 0.10 0.00 0.00 34.13 30.65 1wpg s GLU 123 CO 0.29 -0.41 1.03 -1.25 0.02 0.00 0.00 175.26 174.94 1wpg s PRO 124 N 2.20 3.74 0.00 0.39 0.04 -1.26 -4.97 135.00 135.14 1wpg s PRO 124 Ca 0.17 1.24 -0.23 0.00 0.04 0.00 0.00 61.00 62.22 1wpg s PRO 124 Cb -0.16 -2.09 -0.18 0.00 0.04 0.00 0.00 34.50 32.11 1wpg s PRO 124 CO 0.11 -0.47 1.27 1.49 0.04 0.00 0.00 177.00 179.44 1wpg h GLU 125 N 1.21 0.19 -6.20 4.56 4.81 -1.96 -3.41 114.58 113.78 1wpg h GLU 125 Ca -0.48 -0.11 -0.51 0.00 -0.13 0.00 0.00 59.36 58.12 1wpg h GLU 125 Cb 1.21 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1wpg h GLU 125 CO 0.59 0.66 -0.53 -1.64 -0.73 0.00 0.00 179.01 177.36 1wpg s MET 126 N -4.13 2.94 0.17 1.92 -1.94 -1.26 0.49 119.30 117.47 1wpg s MET 126 Ca -0.15 -1.01 -0.06 0.00 -1.71 0.00 0.00 55.69 52.75 1wpg s MET 126 Cb 0.03 -2.59 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 1wpg s MET 126 CO 0.72 0.42 0.23 0.20 -0.01 0.00 0.00 175.02 176.57 1wpg s GLY 127 N -3.72 0.71 -0.13 -0.03 0.00 -0.38 -4.57 107.32 99.20 1wpg s GLY 127 Ca 0.33 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1wpg s GLY 127 CO 0.25 -1.01 -0.20 0.54 0.00 0.00 0.00 173.10 172.68 1wpg s LYS 128 N -4.01 2.77 0.23 2.90 1.02 -1.26 -1.50 119.74 119.89 1wpg s LYS 128 Ca 0.22 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.48 1wpg s LYS 128 Cb 0.04 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1wpg s LYS 128 CO 0.02 -0.04 -0.01 0.14 -0.92 0.00 0.00 175.35 174.55 1wpg s VAL 129 N 0.90 1.04 -0.20 3.17 -7.23 0.03 -1.44 120.40 116.67 1wpg s VAL 129 Ca -0.06 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 1wpg s VAL 129 Cb -0.15 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.49 1wpg s VAL 129 CO -0.02 -0.34 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.95 1wpg s TYR 130 N -3.41 2.90 0.17 2.82 1.51 -0.21 -0.23 117.35 120.89 1wpg s TYR 130 Ca 0.28 -1.71 0.10 0.00 -1.01 0.00 0.00 57.07 54.73 1wpg s TYR 130 Cb 0.06 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1wpg s TYR 130 CO 0.08 -0.80 -0.16 1.03 -1.11 0.00 0.00 175.55 174.60 1wpg s ARG 131 N 1.27 1.84 0.35 -0.62 1.81 -1.21 -3.97 118.95 118.42 1wpg s ARG 131 Ca 0.02 -1.32 0.18 0.00 -1.72 0.00 0.00 55.73 52.90 1wpg s ARG 131 Cb -0.15 -2.06 0.99 0.00 -0.45 0.00 0.00 34.95 33.29 1wpg s ARG 131 CO -0.10 0.44 1.51 0.00 -0.68 0.00 0.00 175.30 176.46 1wpg h ALA 132 N 3.20 1.11 0.08 2.13 0.00 0.17 -2.63 119.26 123.31 1wpg h ALA 132 Ca -0.47 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1wpg h ALA 132 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1wpg h ALA 132 CO 0.50 -0.11 -0.35 0.22 0.00 0.00 0.00 179.25 179.51 1wpg h ASP 133 N 0.00 -1.03 -5.06 0.00 3.58 -1.82 -3.45 116.42 108.64 1wpg h ASP 133 Ca 0.00 0.12 -0.21 0.00 0.42 0.00 0.00 57.03 57.36 1wpg h ASP 133 Cb 0.33 0.40 -0.15 0.00 1.72 0.00 0.00 39.33 41.62 1wpg h ASP 133 CO 0.00 -0.42 -0.66 0.00 -2.88 0.00 0.00 179.24 175.28 1wpg s ARG 134 N -5.98 0.95 0.14 0.28 3.03 -0.99 -5.07 118.95 111.31 1wpg s ARG 134 Ca -0.16 -1.44 0.10 0.00 2.03 0.00 0.00 55.73 56.25 1wpg s ARG 134 Cb 0.08 0.05 -0.14 0.00 -1.03 0.00 0.00 34.95 33.91 1wpg s ARG 134 CO 0.64 -0.19 1.26 -0.22 -1.13 0.00 0.00 175.30 175.66 1wpg h LYS 135 N 2.84 0.00 -6.71 3.89 1.63 -1.88 -3.40 116.57 112.94 1wpg h LYS 135 Ca -0.35 0.00 -0.49 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 32.84 1wpg h LYS 135 CO 0.61 0.82 -0.02 -1.54 -3.45 0.00 0.00 179.45 175.87 1wpg s SER 136 N -6.58 6.35 0.56 4.20 1.04 -1.26 -5.03 113.70 112.98 1wpg s SER 136 Ca 0.01 0.78 -0.21 0.00 0.48 0.00 0.00 55.95 57.01 1wpg s SER 136 Cb 0.09 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 1wpg s SER 136 CO 0.80 -0.39 1.35 0.54 0.98 0.00 0.00 173.24 176.52 1wpg s VAL 137 N -2.43 2.09 -0.14 5.02 0.11 -1.26 -4.81 120.40 118.98 1wpg s VAL 137 Ca 0.45 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1wpg s VAL 137 Cb -0.10 -3.03 -0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1wpg s VAL 137 CO 0.37 -0.00 -0.18 -1.10 -3.33 0.00 0.00 175.10 170.86 1wpg s GLN 138 N -2.96 3.17 -0.47 1.54 -0.21 0.68 -4.95 119.66 116.46 1wpg s GLN 138 Ca 0.73 -0.78 -0.17 0.00 0.02 0.00 0.00 55.36 55.15 1wpg s GLN 138 Cb -0.40 -2.53 0.06 0.00 1.00 0.00 0.00 33.01 31.14 1wpg s GLN 138 CO 0.47 0.07 0.49 0.50 -2.12 0.00 0.00 175.29 174.69 1wpg s ARG 139 N 0.66 3.05 0.46 2.91 3.52 -1.26 -0.79 118.95 127.50 1wpg s ARG 139 Ca -0.09 -1.07 0.01 0.00 -0.13 0.00 0.00 55.73 54.45 1wpg s ARG 139 Cb -0.16 -4.09 0.01 0.00 -1.56 0.00 0.00 34.95 29.15 1wpg s ARG 139 CO 0.02 -1.06 0.08 0.44 -0.81 0.00 0.00 175.30 173.97 1wpg n ILE 140 N 5.39 0.00 -2.27 4.11 -5.35 -0.56 -4.93 119.36 115.76 1wpg n ILE 140 Ca -0.09 -2.07 -0.41 0.00 -0.27 0.00 0.00 62.75 59.90 1wpg n ILE 140 Cb 0.45 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 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 -3.70 4.41 0.42 6.28 -0.14 -1.26 -1.25 119.74 124.50 1wpg s LYS 141 Ca 0.06 1.99 0.09 0.00 -1.36 0.00 0.00 55.97 56.75 1wpg s LYS 141 Cb -0.00 -3.22 0.91 0.00 -1.68 0.00 0.00 37.83 33.84 1wpg s LYS 141 CO 0.04 -0.23 2.05 0.00 -0.76 0.00 0.00 175.35 176.45 1wpg h ALA 142 N 5.54 1.78 0.00 5.17 0.00 -0.20 -0.69 119.26 130.86 1wpg h ALA 142 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wpg h ALA 142 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wpg h ALA 142 CO 0.77 0.19 0.00 2.89 0.00 0.00 0.00 179.25 183.10 1wpg n ARG 143 N -4.48 0.06 -0.23 0.00 1.85 -1.26 -1.58 116.66 111.02 1wpg n ARG 143 Ca 0.04 0.43 0.12 0.00 -1.00 0.00 0.00 57.85 57.43 1wpg n ARG 143 Cb 0.11 -1.65 0.25 0.00 -1.05 0.00 0.00 32.46 30.12 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 -1.77 3.55 -4.81 2.89 10.43 -0.27 -0.95 116.55 125.62 1wpg n ASP 144 Ca 0.01 -1.99 -0.34 0.00 2.57 0.00 0.00 54.79 55.04 1wpg n ASP 144 Cb 0.11 -0.31 -0.07 0.00 1.84 0.00 0.00 41.12 42.69 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 -1.39 4.38 0.19 0.53 1.01 -0.62 -4.96 121.20 120.34 1wpg s ILE 145 Ca 0.41 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.59 1wpg s ILE 145 Cb 0.23 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1wpg s ILE 145 CO 0.32 -0.21 0.04 0.68 0.00 0.00 0.00 174.94 175.77 1wpg s VAL 146 N -2.04 0.54 0.27 2.92 -7.23 -1.26 -4.06 120.40 109.55 1wpg s VAL 146 Ca 0.59 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1wpg s VAL 146 Cb -0.11 -2.24 -0.11 0.00 0.56 0.00 0.00 36.38 34.47 1wpg s VAL 146 CO 0.16 -0.34 1.60 -2.84 -0.31 0.00 0.00 175.10 173.36 1wpg s PRO 147 N -3.97 4.14 0.00 4.82 0.02 -1.26 -2.64 135.00 136.11 1wpg s PRO 147 Ca 0.28 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1wpg s PRO 147 Cb 0.07 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.55 1wpg s PRO 147 CO 0.06 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1wpg n GLY 148 N 2.46 3.17 3.87 0.52 0.00 0.48 -4.97 105.19 110.72 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 -0.79 6.50 -0.17 1.61 1.47 -1.08 -4.66 116.67 119.55 1wpg s ASP 149 Ca 0.00 1.21 -0.28 0.00 1.18 0.00 0.00 52.55 54.66 1wpg s ASP 149 Cb 0.00 -2.36 -0.00 0.00 -0.34 0.00 0.00 42.92 40.22 1wpg s ASP 149 CO 0.00 -0.48 0.96 -0.63 0.68 0.00 0.00 175.17 175.70 1wpg s ILE 150 N -2.50 4.78 0.07 2.11 1.09 -1.26 -1.88 121.20 123.61 1wpg s ILE 150 Ca 0.52 1.90 0.09 0.00 -1.10 0.00 0.00 60.65 62.06 1wpg s ILE 150 Cb -0.10 -4.25 -0.03 0.00 -1.06 0.00 0.00 42.46 37.01 1wpg s ILE 150 CO 0.34 -0.06 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.22 1wpg s VAL 151 N 2.51 2.59 -0.06 2.92 1.01 0.98 -1.04 120.40 129.31 1wpg s VAL 151 Ca 0.43 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1wpg s VAL 151 Cb -0.16 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1wpg s VAL 151 CO 0.12 0.24 -0.24 -0.70 0.00 0.00 0.00 175.10 174.52 1wpg s GLU 152 N -1.67 2.57 0.07 2.72 2.12 -0.52 -0.26 118.70 123.73 1wpg s GLU 152 Ca 0.15 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 54.64 1wpg s GLU 152 Cb -0.10 -2.19 -0.03 0.00 0.26 0.00 0.00 34.13 32.07 1wpg s GLU 152 CO 0.06 0.39 -0.13 0.14 -0.54 0.00 0.00 175.26 175.18 1wpg s VAL 153 N -0.18 1.08 0.18 3.70 -7.23 -0.55 -4.31 120.40 113.08 1wpg s VAL 153 Ca -0.03 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 1wpg s VAL 153 Cb -0.14 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 1wpg s VAL 153 CO 0.03 -0.27 0.24 0.00 -0.31 0.00 0.00 175.10 174.80 1wpg s ALA 154 N -1.43 0.35 -0.01 1.32 0.00 -1.26 -1.18 121.76 119.54 1wpg s ALA 154 Ca -0.01 -1.15 -0.40 0.00 0.00 0.00 0.00 51.96 50.39 1wpg s ALA 154 Cb -0.09 1.00 -0.20 0.00 0.00 0.00 0.00 23.12 23.83 1wpg s ALA 154 CO 0.02 -0.64 1.11 1.55 0.00 0.00 0.00 175.76 177.80 1wpg n VAL 155 N -0.23 0.00 0.00 0.00 3.14 -0.42 -0.88 118.33 119.94 1wpg n VAL 155 Ca -0.04 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1wpg n VAL 155 Cb 0.64 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 1.67 2.71 3.79 7.55 0.00 0.30 -5.00 105.19 116.22 1wpg n GLY 156 Ca 0.20 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 -1.44 6.54 -0.14 1.61 1.01 -0.06 -4.82 116.67 119.36 1wpg s ASP 157 Ca 0.00 1.95 -0.14 0.00 0.71 0.00 0.00 52.55 55.06 1wpg s ASP 157 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1wpg s ASP 157 CO 0.00 -0.65 0.32 -0.54 0.21 0.00 0.00 175.17 174.51 1wpg s LYS 158 N -2.97 4.22 0.07 8.23 1.02 -1.26 -1.24 119.74 127.81 1wpg s LYS 158 Ca 0.64 0.15 -0.31 0.00 0.02 0.00 0.00 55.97 56.47 1wpg s LYS 158 Cb -0.18 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 1wpg s LYS 158 CO 0.22 0.27 1.51 0.08 -0.92 0.00 0.00 175.35 176.52 1wpg s VAL 159 N 0.34 3.22 -0.43 3.17 1.01 0.95 -4.82 120.40 123.84 1wpg s VAL 159 Ca 0.18 0.75 0.23 0.00 0.00 0.00 0.00 61.98 63.13 1wpg s VAL 159 Cb -0.13 -3.48 0.33 0.00 0.00 0.00 0.00 36.38 33.10 1wpg s VAL 159 CO 0.05 0.02 1.60 1.55 0.00 0.00 0.00 175.10 178.32 1wpg h PRO 160 N 7.63 0.00 -2.77 2.72 0.13 -1.89 -0.13 132.00 137.69 1wpg h PRO 160 Ca -0.41 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1wpg h PRO 160 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1wpg h PRO 160 CO 0.91 0.01 0.37 0.00 -0.23 0.00 0.00 178.00 179.06 1wpg s ALA 161 N -3.20 -1.21 -0.35 -0.56 0.00 -1.26 -4.85 121.76 110.33 1wpg s ALA 161 Ca 0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 1wpg s ALA 161 Cb 0.05 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1wpg s ALA 161 CO 0.67 -1.03 1.11 -0.51 0.00 0.00 0.00 175.76 176.00 1wpg s ASP 162 N -3.09 6.86 -0.05 0.00 1.11 -0.94 -2.95 116.67 117.61 1wpg s ASP 162 Ca 0.15 0.96 0.06 0.00 0.18 0.00 0.00 52.55 53.91 1wpg s ASP 162 Cb -0.04 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 1wpg s ASP 162 CO 0.07 -0.96 -0.25 -0.63 1.18 0.00 0.00 175.17 174.58 1wpg s ILE 163 N 3.86 2.05 -0.24 0.77 1.01 0.27 -0.58 121.20 128.33 1wpg s ILE 163 Ca 0.47 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 1wpg s ILE 163 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1wpg s ILE 163 CO 0.19 0.57 0.72 -0.60 0.00 0.00 0.00 174.94 175.82 1wpg s ARG 164 N -0.23 4.16 0.18 2.79 3.00 0.05 -0.14 118.95 128.76 1wpg s ARG 164 Ca -0.02 0.75 -0.30 0.00 -1.00 0.00 0.00 55.73 55.16 1wpg s ARG 164 Cb -0.13 -3.63 -0.08 0.00 0.00 0.00 0.00 34.95 31.10 1wpg s ARG 164 CO 0.03 -0.43 1.26 0.42 0.00 0.00 0.00 175.30 176.58 1wpg s ILE 165 N 2.55 3.43 -0.14 4.11 1.01 0.06 -0.83 121.20 131.39 1wpg s ILE 165 Ca 0.31 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 62.10 1wpg s ILE 165 Cb -0.15 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 1wpg s ILE 165 CO 0.08 0.17 -0.15 0.18 0.00 0.00 0.00 174.94 175.23 1wpg n LEU 166 N 2.76 2.25 -3.69 2.97 4.77 0.16 -4.78 117.00 121.44 1wpg n LEU 166 Ca 0.06 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1wpg n LEU 166 Cb 0.44 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1wpg n LEU 166 CO 0.57 0.57 -0.04 -0.55 -1.33 0.00 0.00 177.39 176.61 1wpg s SER 167 N -5.69 -0.24 -0.40 -1.43 0.15 -0.77 -4.95 113.70 100.36 1wpg s SER 167 Ca -0.19 0.73 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 1wpg s SER 167 Cb 0.06 0.72 0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1wpg s SER 167 CO 0.29 -0.20 0.38 -0.63 1.20 0.00 0.00 173.24 174.29 1wpg s ILE 168 N 1.71 5.15 0.15 6.45 1.01 -1.26 -0.22 121.20 134.19 1wpg s ILE 168 Ca -0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1wpg s ILE 168 Cb -0.10 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 1wpg s ILE 168 CO -0.11 -0.33 1.37 0.11 0.00 0.00 0.00 174.94 175.98 1wpg h LYS 169 N 8.66 0.43 -7.74 2.79 1.79 -1.50 -3.45 116.57 117.55 1wpg h LYS 169 Ca -0.27 -0.39 -0.45 0.00 -2.18 0.00 0.00 60.65 57.35 1wpg h LYS 169 Cb 1.12 0.10 0.14 0.00 -1.58 0.00 0.00 32.23 32.01 1wpg h LYS 169 CO 0.76 1.04 0.41 -1.54 -1.08 0.00 0.00 179.45 179.04 1wpg s SER 170 N -7.02 3.53 0.24 0.86 1.04 -1.10 -4.96 113.70 106.28 1wpg s SER 170 Ca -0.06 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.71 1wpg s SER 170 Cb 0.10 -0.55 0.27 0.00 0.10 0.00 0.00 66.02 65.94 1wpg s SER 170 CO 0.85 -2.48 1.71 0.74 0.98 0.00 0.00 173.24 175.04 1wpg h THR 171 N -1.44 1.25 -3.61 2.02 2.02 -1.91 -3.45 112.91 107.79 1wpg h THR 171 Ca -0.44 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 65.49 1wpg h THR 171 Cb 1.26 1.00 -0.17 0.00 -1.74 0.00 0.00 68.15 68.50 1wpg h THR 171 CO 0.45 0.39 -0.40 0.42 0.37 0.00 0.00 175.52 176.75 1wpg s THR 172 N -4.84 0.11 -0.21 3.16 -4.23 -1.26 -4.75 115.64 103.62 1wpg s THR 172 Ca -0.09 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1wpg s THR 172 Cb 0.14 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1wpg s THR 172 CO 0.82 -0.52 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.11 1wpg s LEU 173 N -2.19 2.91 -0.17 4.79 2.96 -1.26 -4.21 118.68 121.50 1wpg s LEU 173 Ca -0.04 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1wpg s LEU 173 Cb -0.00 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1wpg s LEU 173 CO -0.05 0.01 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.77 1wpg s ARG 174 N 1.29 3.36 0.03 1.98 0.52 -0.13 -1.39 118.95 124.61 1wpg s ARG 174 Ca 0.04 -0.66 0.07 0.00 -0.52 0.00 0.00 55.73 54.65 1wpg s ARG 174 Cb -0.14 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 1wpg s ARG 174 CO -0.02 0.01 -0.21 0.08 0.02 0.00 0.00 175.30 175.18 1wpg s VAL 175 N 0.90 1.71 -0.44 3.52 1.01 0.13 -0.26 120.40 126.96 1wpg s VAL 175 Ca -0.02 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1wpg s VAL 175 Cb -0.15 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1wpg s VAL 175 CO 0.00 0.27 0.35 -0.62 0.00 0.00 0.00 175.10 175.10 1wpg s ASP 176 N -1.05 6.12 -0.33 3.32 2.15 -0.22 -0.19 116.67 126.48 1wpg s ASP 176 Ca 0.08 -1.14 0.09 0.00 0.43 0.00 0.00 52.55 52.01 1wpg s ASP 176 Cb -0.09 -2.17 0.59 0.00 -0.30 0.00 0.00 42.92 40.95 1wpg s ASP 176 CO 0.01 -0.56 1.63 0.00 -0.17 0.00 0.00 175.17 176.09 1wpg n GLN 177 N 5.18 2.33 0.16 4.34 6.02 -1.26 -2.70 117.38 131.44 1wpg n GLN 177 Ca -0.12 -3.09 0.18 0.00 -0.01 0.00 0.00 57.00 53.97 1wpg n GLN 177 Cb 0.45 -1.97 0.79 0.00 1.02 0.00 0.00 30.24 30.53 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 1.32 0.00 0.89 1.08 4.64 -1.86 -0.19 113.55 119.43 1wpg h SER 178 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1wpg h SER 178 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1wpg h SER 178 CO 0.61 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.73 1wpg h ILE 179 N 0.00 0.00 0.00 0.95 3.07 -1.88 0.59 117.51 120.23 1wpg h ILE 179 Ca 0.13 -0.44 -0.03 0.00 1.55 0.00 0.00 64.86 66.07 1wpg h ILE 179 Cb 0.70 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 1wpg h ILE 179 CO -0.00 0.00 -1.76 0.18 -1.05 0.00 0.00 178.15 175.52 1wpg n LEU 180 N -3.04 0.00 0.00 0.16 4.77 -0.16 -2.75 117.00 115.98 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 0.28 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1wpg n LEU 180 CO 0.26 0.04 -0.21 0.35 -1.33 0.00 0.00 177.39 176.50 1wpg n THR 181 N -2.11 0.00 0.00 -5.08 -2.24 -0.72 -4.38 114.28 99.74 1wpg n THR 181 Ca -0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1wpg n THR 181 Cb 0.48 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.43 3.00 3.75 3.38 0.00 0.20 -3.87 105.19 113.09 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 -0.26 4.57 0.07 1.61 0.41 -1.26 -4.87 118.70 118.97 1wpg s GLU 183 Ca 0.00 1.18 0.16 0.00 -0.41 0.00 0.00 54.97 55.90 1wpg s GLU 183 Cb 0.00 -3.33 -0.13 0.00 -1.78 0.00 0.00 34.13 28.89 1wpg s GLU 183 CO 0.00 0.36 0.89 0.66 -0.49 0.00 0.00 175.26 176.68 1wpg h SER 184 N 5.21 0.00 -2.46 -0.19 4.64 -1.95 -3.02 113.55 115.78 1wpg h SER 184 Ca -0.45 0.00 -0.57 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 63.36 1wpg h SER 184 CO 0.70 0.65 0.83 0.52 -0.87 0.00 0.00 176.83 178.66 1wpg n VAL 185 N -2.97 0.16 -2.12 0.95 0.31 -1.26 -4.80 118.33 108.59 1wpg n VAL 185 Ca -0.09 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.80 1wpg n VAL 185 Cb 0.86 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.88 6.57 -0.12 4.52 0.01 -1.26 -4.74 113.70 119.56 1wpg s SER 186 Ca 0.76 2.62 -0.08 0.00 1.31 0.00 0.00 55.95 60.56 1wpg s SER 186 Cb -0.62 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 62.92 1wpg s SER 186 CO 0.38 -0.66 0.16 0.68 0.41 0.00 0.00 173.24 174.21 1wpg s VAL 187 N -1.22 5.47 -0.27 3.43 -7.23 0.73 -4.81 120.40 116.50 1wpg s VAL 187 Ca 0.53 0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.76 1wpg s VAL 187 Cb -0.38 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 1wpg s VAL 187 CO 0.49 0.60 0.57 -0.63 -0.31 0.00 0.00 175.10 175.82 1wpg s ILE 188 N -0.93 5.02 0.44 -0.62 -1.09 -1.26 -0.69 121.20 122.07 1wpg s ILE 188 Ca 0.15 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 59.52 1wpg s ILE 188 Cb -0.12 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1wpg s ILE 188 CO 0.04 0.02 0.64 -0.54 -1.23 0.00 0.00 174.94 173.88 1wpg s LYS 189 N 2.42 3.02 0.31 2.79 -0.14 -0.49 -4.96 119.74 122.68 1wpg s LYS 189 Ca 0.23 -0.63 -0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1wpg s LYS 189 Cb -0.15 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 1wpg s LYS 189 CO 0.09 -0.25 0.42 -2.39 -0.76 0.00 0.00 175.35 172.46 1wpg n HIS 190 N -2.02 -1.28 0.22 3.18 1.44 0.61 -4.54 115.22 112.83 1wpg n HIS 190 Ca 0.02 -2.11 0.04 0.00 -2.01 0.00 0.00 57.72 53.65 1wpg n HIS 190 Cb 0.58 0.47 0.04 0.00 0.12 0.00 0.00 29.99 31.20 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 -0.52 0.19 -1.93 0.61 -2.24 -1.26 -3.75 114.28 105.38 1wpg n THR 191 Ca 0.01 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 1wpg n THR 191 Cb 0.52 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.67 3.14 0.70 -0.78 2.02 -1.26 -4.66 118.70 117.19 1wpg s GLU 192 Ca 0.10 1.24 -0.13 0.00 0.02 0.00 0.00 54.97 56.20 1wpg s GLU 192 Cb 0.06 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.31 1wpg s GLU 192 CO 0.09 -0.96 1.09 -1.25 0.02 0.00 0.00 175.26 174.26 1wpg s PRO 193 N -4.15 2.66 -0.40 0.39 0.04 -1.26 -4.68 135.00 127.59 1wpg s PRO 193 Ca 0.64 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1wpg s PRO 193 Cb -0.17 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1wpg s PRO 193 CO 0.39 -1.34 0.14 0.08 0.04 0.00 0.00 177.00 176.32 1wpg s VAL 194 N -2.67 2.67 0.28 -0.36 1.01 -0.27 -5.00 120.40 116.05 1wpg s VAL 194 Ca 0.63 -2.46 0.01 0.00 0.00 0.00 0.00 61.98 60.16 1wpg s VAL 194 Cb -0.18 -2.89 0.26 0.00 0.00 0.00 0.00 36.38 33.57 1wpg s VAL 194 CO 0.49 -0.67 1.74 -0.65 0.00 0.00 0.00 175.10 176.00 1wpg h PRO 195 N 7.52 0.53 -5.89 2.72 0.11 -1.85 -3.26 132.00 131.88 1wpg h PRO 195 Ca -0.07 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.39 1wpg h PRO 195 Cb 1.00 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1wpg h PRO 195 CO 0.60 0.35 1.48 -3.47 -0.21 0.00 0.00 178.00 176.76 1wpg n ASP 196 N -4.93 2.33 0.16 -2.05 2.03 -1.26 -4.83 116.55 108.00 1wpg n ASP 196 Ca 0.19 0.24 0.12 0.00 0.52 0.00 0.00 54.79 55.86 1wpg n ASP 196 Cb 0.53 -1.36 0.57 0.00 -0.72 0.00 0.00 41.12 40.14 1wpg n ASP 196 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wpg h PRO 197 N 13.90 0.00 -0.29 -0.67 0.13 -2.01 -2.51 132.00 140.55 1wpg h PRO 197 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1wpg h PRO 197 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wpg h PRO 197 CO 1.04 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.35 1wpg n ARG 198 N -2.32 2.91 -1.66 0.86 1.74 -1.26 -5.04 116.66 111.90 1wpg n ARG 198 Ca 0.00 -2.55 -0.46 0.00 -0.77 0.00 0.00 57.85 54.07 1wpg n ARG 198 Cb 0.15 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 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 -0.14 0.92 -1.91 7.54 0.00 -0.95 -4.97 120.51 121.00 1wpg n ALA 199 Ca 0.18 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.77 1wpg n ALA 199 Cb 0.72 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 17.97 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 0.44 2.52 0.31 0.00 -7.23 -1.26 -4.85 120.40 110.33 1wpg s VAL 200 Ca 0.75 0.09 0.08 0.00 -1.81 0.00 0.00 61.98 61.09 1wpg s VAL 200 Cb -0.70 -3.15 0.31 0.00 0.56 0.00 0.00 36.38 33.39 1wpg s VAL 200 CO 0.44 -0.19 1.75 0.78 -0.31 0.00 0.00 175.10 177.57 1wpg h ASN 201 N -0.84 0.72 0.50 4.85 2.35 -1.94 0.11 115.58 121.33 1wpg h ASN 201 Ca -0.45 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1wpg h ASN 201 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1wpg h ASN 201 CO 0.64 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 176.60 1wpg n GLN 202 N -4.84 0.09 0.03 0.81 0.00 -1.26 -1.74 117.38 110.47 1wpg n GLN 202 Ca 0.25 0.38 0.11 0.00 0.00 0.00 0.00 57.00 57.74 1wpg n GLN 202 Cb 0.67 -1.69 -0.04 0.00 0.00 0.00 0.00 30.24 29.17 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 -1.87 0.53 -3.67 2.61 8.00 0.36 -4.64 116.55 117.87 1wpg n ASP 203 Ca 0.02 -0.15 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 1wpg n ASP 203 Cb 0.17 1.07 -0.00 0.00 -0.02 0.00 0.00 41.12 42.33 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 -2.10 3.35 0.00 -1.24 5.02 -0.71 -4.72 118.16 117.76 1wpg n LYS 204 Ca 0.00 -2.84 0.10 0.00 -2.02 0.00 0.00 58.31 53.55 1wpg n LYS 204 Cb 0.48 -3.05 0.59 0.00 -0.02 0.00 0.00 35.03 33.02 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 4.70 0.77 -0.16 1.97 5.02 -1.26 -2.24 118.16 126.96 1wpg n LYS 205 Ca 0.55 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 1wpg n LYS 205 Cb 0.34 -1.40 0.13 0.00 -0.02 0.00 0.00 35.03 34.08 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 -0.90 2.83 -4.49 4.39 6.94 -1.25 -0.28 115.26 122.49 1wpg n ASN 206 Ca 0.15 -2.09 -0.26 0.00 -0.02 0.00 0.00 54.58 52.36 1wpg n ASN 206 Cb 0.07 -0.22 -0.10 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.16 1.77 -0.07 -3.83 -1.94 -0.95 -0.76 119.30 112.36 1wpg s MET 207 Ca 0.21 -1.47 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 1wpg s MET 207 Cb 0.12 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 35.00 1wpg s MET 207 CO 0.12 0.40 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.83 1wpg s LEU 208 N -2.91 1.93 -0.11 -0.03 1.43 0.80 -4.90 118.68 114.90 1wpg s LEU 208 Ca 0.24 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1wpg s LEU 208 Cb -0.08 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1wpg s LEU 208 CO 0.13 0.14 -0.01 -0.36 0.23 0.00 0.00 176.35 176.48 1wpg s PHE 209 N 0.28 3.10 0.14 0.29 0.40 -1.26 -0.57 117.98 120.36 1wpg s PHE 209 Ca -0.12 0.04 -0.35 0.00 -0.60 0.00 0.00 56.93 55.90 1wpg s PHE 209 Cb -0.15 -1.84 -0.15 0.00 0.51 0.00 0.00 43.02 41.38 1wpg s PHE 209 CO 0.05 0.30 1.48 0.45 0.70 0.00 0.00 175.22 178.20 1wpg n SER 210 N 2.62 2.56 0.00 1.36 2.88 -1.15 -1.76 113.62 120.13 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 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 3.03 0.76 3.96 0.46 0.00 -0.06 -4.53 105.19 108.82 1wpg n GLY 211 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.43 2.52 0.02 2.61 2.01 -0.72 -4.83 115.64 114.83 1wpg s THR 212 Ca 0.00 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1wpg s THR 212 Cb 0.00 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1wpg s THR 212 CO 0.00 0.00 -0.03 0.54 -0.69 0.00 0.00 174.62 174.44 1wpg s ASN 213 N -4.47 0.27 -0.13 3.53 2.20 -1.10 -0.03 114.94 115.20 1wpg s ASN 213 Ca 0.59 -0.54 -0.25 0.00 -0.94 0.00 0.00 52.86 51.71 1wpg s ASN 213 Cb -0.10 0.11 -0.02 0.00 -2.00 0.00 0.00 41.25 39.23 1wpg s ASN 213 CO 0.41 -0.32 0.81 -0.63 -2.94 0.00 0.00 177.10 174.42 1wpg s ILE 214 N -1.66 4.92 -0.12 0.54 1.09 -0.37 -1.06 121.20 124.54 1wpg s ILE 214 Ca -0.14 1.61 0.17 0.00 -1.10 0.00 0.00 60.65 61.19 1wpg s ILE 214 Cb -0.09 -4.12 -0.15 0.00 -1.06 0.00 0.00 42.46 37.04 1wpg s ILE 214 CO -0.02 0.09 0.77 0.00 -0.10 0.00 0.00 174.94 175.69 1wpg n ALA 215 N 4.79 1.94 -3.60 9.38 0.00 0.64 -0.54 120.51 133.12 1wpg n ALA 215 Ca 0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 1wpg n ALA 215 Cb 0.50 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.92 -1.93 0.00 0.00 0.00 -0.91 -4.72 121.76 111.28 1wpg s ALA 216 Ca -0.03 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1wpg s ALA 216 Cb 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1wpg s ALA 216 CO 0.82 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.70 1wpg n GLY 217 N 1.40 -2.70 3.18 0.00 0.00 -1.26 -0.96 105.19 104.86 1wpg n GLY 217 Ca -0.12 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.39 0.34 0.12 1.61 2.20 -1.26 -1.30 119.74 121.05 1wpg s LYS 218 Ca 0.00 0.47 -0.13 0.00 -0.36 0.00 0.00 55.97 55.95 1wpg s LYS 218 Cb 0.00 0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.45 1wpg s LYS 218 CO 0.00 -0.07 0.32 0.00 -0.36 0.00 0.00 175.35 175.24 1wpg s ALA 219 N 0.42 -0.62 -0.01 3.13 0.00 -0.33 -1.14 121.76 123.20 1wpg s ALA 219 Ca -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1wpg s ALA 219 Cb -0.04 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1wpg s ALA 219 CO -0.02 -0.60 -0.19 -1.17 0.00 0.00 0.00 175.76 173.78 1wpg s LEU 220 N -2.84 2.51 0.37 0.00 2.96 0.69 -1.48 118.68 120.89 1wpg s LEU 220 Ca 0.05 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1wpg s LEU 220 Cb 0.03 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.26 1wpg s LEU 220 CO -0.11 0.31 0.61 -0.83 -1.32 0.00 0.00 176.35 175.01 1wpg s GLY 221 N -0.94 1.09 -0.07 7.98 0.00 0.64 -0.67 107.32 115.36 1wpg s GLY 221 Ca 0.12 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.63 1wpg s GLY 221 CO 0.02 -0.74 -0.19 -1.50 0.00 0.00 0.00 173.10 170.69 1wpg s ILE 222 N -2.68 1.60 0.05 0.90 2.07 -0.01 -0.01 121.20 123.12 1wpg s ILE 222 Ca 0.25 -0.78 -0.31 0.00 -1.41 0.00 0.00 60.65 58.41 1wpg s ILE 222 Cb -0.02 -1.40 -0.07 0.00 0.13 0.00 0.00 42.46 41.09 1wpg s ILE 222 CO 0.17 0.46 1.53 -0.69 -1.91 0.00 0.00 174.94 174.51 1wpg s VAL 223 N 0.31 3.27 -0.23 4.00 1.01 -0.79 -0.77 120.40 127.20 1wpg s VAL 223 Ca -0.12 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 1wpg s VAL 223 Cb -0.15 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.58 1wpg s VAL 223 CO 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.11 1wpg n ALA 224 N 5.27 1.03 -2.39 5.51 0.00 0.26 -0.39 120.51 129.80 1wpg n ALA 224 Ca 0.14 -0.81 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 1wpg n ALA 224 Cb 0.42 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.46 0.15 0.25 0.00 -4.23 -1.12 -2.19 115.64 106.05 1wpg s THR 225 Ca -0.33 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1wpg s THR 225 Cb 0.10 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 1wpg s THR 225 CO 0.57 -0.70 0.22 0.35 -0.54 0.00 0.00 174.62 174.52 1wpg n THR 226 N -0.03 0.00 -0.83 3.99 -2.24 -1.26 -2.22 114.28 111.69 1wpg n THR 226 Ca -0.13 -1.86 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 1wpg n THR 226 Cb 0.62 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.48 3.10 0.09 3.38 0.00 -1.26 -1.87 105.19 108.15 1wpg n GLY 227 Ca 0.06 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 0.62 0.72 1.61 0.24 -1.26 -3.66 118.33 116.61 1wpg n VAL 228 Ca 0.00 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.34 62.23 1wpg n VAL 228 Cb 0.00 -0.79 0.03 0.00 -1.47 0.00 0.00 33.84 31.61 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 -2.10 2.94 -4.65 -1.34 7.64 -0.78 -4.02 113.62 111.31 1wpg n SER 229 Ca 0.05 -2.19 -0.28 0.00 1.01 0.00 0.00 58.87 57.45 1wpg n SER 229 Cb 0.34 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.50 1.97 0.11 0.44 -4.23 -1.24 -4.55 115.64 107.64 1wpg s THR 230 Ca 0.07 -1.96 -0.21 0.00 -1.18 0.00 0.00 61.69 58.41 1wpg s THR 230 Cb 0.06 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 1wpg s THR 230 CO 0.01 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.51 1wpg h GLU 231 N 1.69 0.08 0.00 3.99 4.39 -1.91 -0.25 114.58 122.57 1wpg h GLU 231 Ca -0.44 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 1wpg h GLU 231 Cb 1.25 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1wpg h GLU 231 CO 0.79 0.05 -0.14 0.97 -1.16 0.00 0.00 179.01 179.53 1wpg h ILE 232 N 0.08 0.81 -0.16 3.13 2.10 -1.94 -0.92 117.51 120.62 1wpg h ILE 232 Ca 0.05 -0.52 -0.09 0.00 1.08 0.00 0.00 64.86 65.38 1wpg h ILE 232 Cb 0.04 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 1wpg h ILE 232 CO -0.07 0.13 -0.30 1.23 -1.08 0.00 0.00 178.15 178.06 1wpg h GLY 233 N 0.62 0.34 1.34 8.18 0.00 -1.31 -0.21 103.07 112.03 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 0.02 0.26 -0.18 0.50 0.00 0.00 0.00 176.54 177.13 1wpg h LYS 234 N 0.28 0.76 -0.48 4.80 1.57 0.21 0.41 116.57 124.12 1wpg h LYS 234 Ca 0.04 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1wpg h LYS 234 Cb 0.68 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1wpg h LYS 234 CO 0.05 0.89 0.05 0.82 -0.57 0.00 0.00 179.45 180.69 1wpg h ILE 235 N 0.68 1.25 -0.80 1.86 2.04 -0.96 -2.05 117.51 119.53 1wpg h ILE 235 Ca 0.10 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1wpg h ILE 235 Cb 0.68 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1wpg h ILE 235 CO 0.05 0.34 0.35 -0.09 0.00 0.00 0.00 178.15 178.80 1wpg h ARG 236 N 0.68 1.17 -0.29 2.37 1.12 -0.57 -2.18 114.38 116.68 1wpg h ARG 236 Ca 0.14 -0.19 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 1wpg h ARG 236 Cb 0.44 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 1wpg h ARG 236 CO 0.01 0.93 0.05 -0.44 -3.11 0.00 0.00 179.97 177.41 1wpg h ASP 237 N 1.15 0.46 -0.71 -3.80 3.45 -0.73 0.50 116.42 116.74 1wpg h ASP 237 Ca 0.27 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1wpg h ASP 237 Cb 0.17 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 1wpg h ASP 237 CO -0.03 0.60 0.43 1.56 -1.57 0.00 0.00 179.24 180.23 1wpg h GLN 238 N 0.30 0.99 0.00 3.56 4.20 -1.24 -1.10 115.11 121.82 1wpg h GLN 238 Ca 0.09 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1wpg h GLN 238 Cb 0.33 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1wpg h GLN 238 CO 0.01 0.70 -0.44 0.52 -0.67 0.00 0.00 178.83 178.95 1wpg h MET 239 N 1.00 0.00 -0.40 1.46 2.86 -1.21 -3.10 114.93 115.54 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 -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1wpg h MET 239 CO -0.05 0.44 0.18 0.00 1.06 0.00 0.00 176.91 178.54 1wpg h ALA 240 N 1.56 0.52 -0.39 6.32 0.00 0.37 -3.35 119.26 124.29 1wpg h ALA 240 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1wpg h ALA 240 Cb 1.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1wpg h ALA 240 CO 0.06 0.10 0.31 0.00 0.00 0.00 0.00 179.25 179.72 1wpg s ALA 241 N -5.64 0.98 0.00 0.00 0.00 -0.88 -4.82 121.76 111.40 1wpg s ALA 241 Ca -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1wpg s ALA 241 Cb 0.10 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1wpg s ALA 241 CO 0.75 -5.84 0.00 0.25 0.00 0.00 0.00 175.76 170.91 1wpg n THR 242 N 8.53 0.00 -3.27 0.00 -2.24 -1.26 -4.94 114.28 111.10 1wpg n THR 242 Ca 0.44 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.06 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 -2.44 -1.67 -0.78 2.13 -1.26 -4.91 120.64 111.71 1wpg n GLU 243 Ca 0.00 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.26 1wpg n GLU 243 Cb 0.00 -5.78 0.00 0.00 0.27 0.00 0.00 31.44 25.93 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 -3.31 1.85 -0.64 5.31 7.27 -1.26 -4.94 117.38 121.66 1wpg n GLN 244 Ca -0.08 0.66 -0.31 0.00 0.07 0.00 0.00 57.00 57.33 1wpg n GLN 244 Cb 0.62 -2.26 0.18 0.00 2.41 0.00 0.00 30.24 31.20 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 0.56 -0.95 -4.80 1.69 8.00 -1.26 -4.98 116.55 114.81 1wpg n ASP 245 Ca 0.07 0.20 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 1wpg n ASP 245 Cb 0.37 -1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.10 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 -4.26 4.41 0.70 -1.24 1.02 -1.26 -5.03 119.74 114.08 1wpg s LYS 246 Ca 0.64 1.04 -0.16 0.00 0.02 0.00 0.00 55.97 57.52 1wpg s LYS 246 Cb -0.22 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1wpg s LYS 246 CO 0.63 0.44 1.23 0.95 -0.92 0.00 0.00 175.35 177.67 1wpg s THR 247 N -1.41 2.23 0.45 2.17 -4.23 -1.26 -4.72 115.64 108.87 1wpg s THR 247 Ca 0.42 0.12 0.19 0.00 -1.18 0.00 0.00 61.69 61.24 1wpg s THR 247 Cb -0.19 -2.80 0.38 0.00 1.34 0.00 0.00 72.50 71.23 1wpg s THR 247 CO 0.23 -0.05 1.91 1.55 -0.54 0.00 0.00 174.62 177.72 1wpg h PRO 248 N -0.03 0.30 -0.25 3.99 0.13 -1.95 0.13 132.00 134.31 1wpg h PRO 248 Ca -0.49 -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 0.51 0.20 -0.42 1.25 -0.23 0.00 0.00 178.00 179.31 1wpg h LEU 249 N 0.31 0.64 -0.58 1.56 5.85 -1.89 -2.15 115.31 119.05 1wpg h LEU 249 Ca 0.39 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1wpg h LEU 249 Cb 1.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1wpg h LEU 249 CO -0.11 0.98 -0.08 1.56 -0.34 0.00 0.00 178.44 180.45 1wpg h GLN 250 N 0.49 1.05 -0.56 1.25 4.20 -1.13 0.84 115.11 121.25 1wpg h GLN 250 Ca 0.04 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1wpg h GLN 250 Cb 0.93 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1wpg h GLN 250 CO 0.08 1.07 0.13 1.96 -0.67 0.00 0.00 178.83 181.40 1wpg h GLN 251 N 0.94 0.87 -0.47 1.46 4.20 -1.18 0.17 115.11 121.11 1wpg h GLN 251 Ca 0.15 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1wpg h GLN 251 Cb 0.64 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1wpg h GLN 251 CO 0.04 0.79 -0.20 0.87 -0.67 0.00 0.00 178.83 179.67 1wpg h LYS 252 N 0.84 0.94 -0.13 1.46 1.79 -0.93 -0.91 116.57 119.63 1wpg h LYS 252 Ca 0.18 -0.38 -0.18 0.00 -2.18 0.00 0.00 60.65 58.09 1wpg h LYS 252 Cb 0.31 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1wpg h LYS 252 CO -0.00 1.04 -0.67 -0.07 -1.08 0.00 0.00 179.45 178.68 1wpg h LEU 253 N 0.82 0.60 -0.66 2.94 4.07 -0.26 -1.95 115.31 120.87 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 0.75 -0.18 -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 0.51 -0.19 -0.43 3.32 -0.61 -2.21 116.42 117.18 1wpg h ASP 254 Ca -0.02 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1wpg h ASP 254 Cb 1.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1wpg h ASP 254 CO 0.12 0.91 0.08 -0.08 -1.72 0.00 0.00 179.24 178.55 1wpg h GLU 255 N 0.37 0.28 -0.74 3.56 4.81 -1.08 -1.14 114.58 120.65 1wpg h GLU 255 Ca 0.02 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1wpg h GLU 255 Cb 0.98 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 1wpg h GLU 255 CO 0.09 0.35 0.39 0.35 -0.73 0.00 0.00 179.01 179.46 1wpg h PHE 256 N 0.15 0.70 -0.59 0.92 3.57 -1.22 -0.75 116.94 119.73 1wpg h PHE 256 Ca 0.06 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1wpg h PHE 256 Cb 0.17 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1wpg h PHE 256 CO -0.01 0.27 0.18 0.78 -2.23 0.00 0.00 178.31 177.29 1wpg h GLY 257 N 0.66 0.99 1.08 2.40 0.00 -1.02 0.21 103.07 107.40 1wpg h GLY 257 Ca 0.36 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1wpg h GLY 257 CO -0.26 0.55 0.23 0.83 0.00 0.00 0.00 176.54 177.90 1wpg h GLU 258 N 0.83 1.15 -0.21 4.80 5.08 -0.39 -2.11 114.58 123.73 1wpg h GLU 258 Ca 0.19 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1wpg h GLU 258 Cb 0.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1wpg h GLU 258 CO -0.00 0.98 -0.42 1.96 -1.00 0.00 0.00 179.01 180.52 1wpg h GLN 259 N 1.10 0.66 -0.36 2.33 1.08 -0.95 -3.23 115.11 115.74 1wpg h GLN 259 Ca 0.24 -0.43 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1wpg h GLN 259 Cb 0.31 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1wpg h GLN 259 CO -0.01 1.05 0.12 1.25 -0.95 0.00 0.00 178.83 180.29 1wpg h LEU 260 N 0.36 0.11 -2.03 1.46 5.85 -0.40 -1.43 115.31 119.24 1wpg h LEU 260 Ca 0.01 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1wpg h LEU 260 Cb 1.02 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1wpg h LEU 260 CO 0.09 0.10 0.11 0.77 -0.34 0.00 0.00 178.44 179.18 1wpg h SER 261 N 0.26 0.00 0.19 1.25 4.64 -1.45 -0.86 113.55 117.59 1wpg h SER 261 Ca 0.17 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.20 1wpg h SER 261 Cb 0.15 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1wpg h SER 261 CO -0.18 0.00 -1.22 0.11 -0.87 0.00 0.00 176.83 174.67 1wpg h LYS 262 N 0.00 0.58 -0.35 4.77 1.57 -1.33 -2.86 116.57 118.96 1wpg h LYS 262 Ca 0.07 -0.77 -0.04 0.00 -1.87 0.00 0.00 60.65 58.04 1wpg h LYS 262 Cb 0.30 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1wpg h LYS 262 CO -0.00 1.34 0.05 0.28 -0.57 0.00 0.00 179.45 180.56 1wpg h VAL 263 N 0.26 1.24 0.02 0.50 2.07 -0.38 0.29 116.25 120.25 1wpg h VAL 263 Ca -0.17 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1wpg h VAL 263 Cb 1.89 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1wpg h VAL 263 CO 0.23 0.28 -0.12 0.40 0.02 0.00 0.00 177.57 178.37 1wpg h ILE 264 N 0.41 0.69 -0.75 4.57 2.04 -1.28 -0.12 117.51 123.07 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 0.36 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1wpg h ILE 264 CO 0.01 0.00 0.44 0.28 0.00 0.00 0.00 178.15 178.88 1wpg h SER 265 N -0.22 0.68 -0.68 1.72 0.02 -1.39 0.19 113.55 113.87 1wpg h SER 265 Ca 0.04 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1wpg h SER 265 Cb 0.27 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1wpg h SER 265 CO -0.11 0.44 0.45 0.25 -1.14 0.00 0.00 176.83 176.71 1wpg h LEU 266 N 0.81 0.58 0.03 5.07 7.12 -0.10 -1.34 115.31 127.48 1wpg h LEU 266 Ca 0.33 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.30 1wpg h LEU 266 Cb 0.18 -0.12 0.01 0.00 -0.53 0.00 0.00 40.66 40.20 1wpg h LEU 266 CO -0.18 0.36 -0.22 0.40 -0.13 0.00 0.00 178.44 178.68 1wpg h ILE 267 N 0.65 1.66 -0.71 4.05 2.04 0.80 -2.29 117.51 123.71 1wpg h ILE 267 Ca 0.30 -2.23 0.15 0.00 1.00 0.00 0.00 64.86 64.08 1wpg h ILE 267 Cb 0.34 3.15 -0.04 0.00 -0.74 0.00 0.00 36.82 39.53 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 0.32 1.37 -0.38 0.00 2.07 -1.32 -3.03 116.25 115.28 1wpg h VAL 269 Ca 0.35 -2.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 1wpg h VAL 269 Cb 0.90 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 1wpg h VAL 269 CO -0.09 0.80 0.12 0.00 0.02 0.00 0.00 177.57 178.42 1wpg h ALA 270 N 0.45 0.49 -0.32 1.67 0.00 -0.19 -2.45 119.26 118.90 1wpg h ALA 270 Ca -0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wpg h ALA 270 Cb 1.92 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1wpg h ALA 270 CO 0.22 0.13 0.18 0.28 0.00 0.00 0.00 179.25 180.06 1wpg h VAL 271 N 0.46 1.10 -0.39 0.00 2.07 -0.43 -0.70 116.25 118.36 1wpg h VAL 271 Ca 0.12 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1wpg h VAL 271 Cb 0.25 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1wpg h VAL 271 CO -0.00 0.11 -0.04 -0.25 0.02 0.00 0.00 177.57 177.40 1wpg h TRP 272 N 0.45 0.67 0.00 1.57 7.01 -1.32 -2.50 115.95 121.83 1wpg h TRP 272 Ca 0.12 -0.09 -0.16 0.00 2.11 0.00 0.00 58.89 60.86 1wpg h TRP 272 Cb 0.01 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 1wpg h TRP 272 CO 0.00 0.67 -0.78 -0.07 -2.79 0.00 0.00 178.44 175.47 1wpg h LEU 273 N 0.59 0.00 -1.79 0.65 3.38 -0.83 -3.02 115.31 114.30 1wpg h LEU 273 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wpg h LEU 273 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1wpg h LEU 273 CO 0.02 0.78 0.00 0.40 0.09 0.00 0.00 178.44 179.73 1wpg h ILE 274 N 0.00 0.00 -2.11 1.22 1.08 -0.76 -3.26 117.51 113.68 1wpg h ILE 274 Ca -0.01 -0.26 -0.58 0.00 -0.39 0.00 0.00 64.86 63.62 1wpg h ILE 274 Cb 1.41 1.16 -0.41 0.00 -3.07 0.00 0.00 36.82 35.92 1wpg h ILE 274 CO 0.10 0.00 -0.82 0.59 -0.69 0.00 0.00 178.15 177.33 1wpg n ASN 275 N -2.86 2.28 -0.03 1.72 3.02 -1.14 -4.82 115.26 113.42 1wpg n ASN 275 Ca -0.00 -3.14 0.05 0.00 -0.03 0.00 0.00 54.58 51.45 1wpg n ASN 275 Cb 0.20 -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 0.34 0.26 2.41 5.41 -1.23 -4.32 119.36 123.25 1wpg n ILE 276 Ca 0.26 -0.53 0.03 0.00 1.00 0.00 0.00 62.75 63.51 1wpg n ILE 276 Cb 0.46 -0.10 0.16 0.00 -0.71 0.00 0.00 39.64 39.45 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 1.54 -0.72 0.00 7.39 0.00 -1.26 -2.59 105.19 109.54 1wpg n GLY 277 Ca -0.11 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.47 0.00 -0.15 1.61 8.25 -1.26 -1.60 115.22 120.60 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 0.08 -0.10 0.29 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.10 1.08 0.36 4.41 7.35 -1.07 -3.89 117.46 124.60 1wpg n PHE 279 Ca 0.08 -0.47 0.04 0.00 -0.76 0.00 0.00 57.45 56.35 1wpg n PHE 279 Cb 0.06 -0.12 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 1.13 1.62 -3.88 -2.13 3.02 -0.63 -4.88 115.26 109.51 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 0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.80 4.31 0.00 6.41 1.47 -1.25 -4.98 116.67 121.83 1wpg s ASP 281 Ca 0.10 -2.27 0.04 0.00 1.18 0.00 0.00 52.55 51.60 1wpg s ASP 281 Cb 0.07 -1.34 0.23 0.00 -0.34 0.00 0.00 42.92 41.54 1wpg s ASP 281 CO 0.12 -0.34 0.97 -0.81 0.68 0.00 0.00 175.17 175.80 1wpg n PRO 282 N 4.07 0.81 -0.93 2.11 -0.04 -1.26 -4.84 135.00 134.92 1wpg n PRO 282 Ca 0.03 0.00 -0.32 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 32.92 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 1.18 0.57 0.52 3.14 -1.26 -4.87 118.33 117.04 1wpg n VAL 283 Ca 0.03 -0.13 0.08 0.00 -2.96 0.00 0.00 64.34 61.36 1wpg n VAL 283 Cb 0.01 -1.10 0.36 0.00 -1.06 0.00 0.00 33.84 32.04 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 -3.69 0.00 1.60 1.45 1.44 -1.26 -3.09 115.22 111.67 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 0.05 0.00 0.12 0.00 0.00 29.99 30.17 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 0.22 -0.80 2.75 -1.39 0.00 -1.26 -3.57 105.19 101.14 1wpg n GLY 285 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 1.69 3.56 -0.02 0.00 -1.18 -4.97 105.19 104.59 1wpg n GLY 286 Ca 0.01 -0.92 -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 -0.72 -0.14 1.61 2.88 -1.23 -4.75 113.62 110.71 1wpg n SER 287 Ca 0.03 0.23 0.04 0.00 -1.33 0.00 0.00 58.87 57.84 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 -2.07 0.74 -0.04 0.66 4.06 -1.99 -2.79 115.95 114.53 1wpg h TRP 288 Ca -0.48 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.47 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 0.40 0.44 -0.01 0.82 -3.56 0.00 0.00 178.44 176.53 1wpg h ILE 289 N 0.77 1.31 -0.31 1.49 2.04 -2.00 -2.21 117.51 118.61 1wpg h ILE 289 Ca 0.26 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1wpg h ILE 289 Cb 0.07 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1wpg h ILE 289 CO -0.07 0.25 0.20 -0.09 0.00 0.00 0.00 178.15 178.45 1wpg h ARG 290 N -0.30 0.41 -0.51 2.37 2.43 -1.88 -2.34 114.38 114.57 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 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1wpg h ARG 290 CO 0.00 0.27 0.09 0.78 -1.51 0.00 0.00 179.97 179.60 1wpg h GLY 291 N 0.42 0.90 0.61 2.80 0.00 -1.57 -3.00 103.07 103.23 1wpg h GLY 291 Ca 0.11 -0.60 0.06 0.00 0.00 0.00 0.00 47.33 46.90 1wpg h GLY 291 CO -0.02 0.56 0.24 0.00 0.00 0.00 0.00 176.54 177.31 1wpg h ALA 292 N 0.98 0.68 -0.72 3.60 0.00 -1.25 -0.87 119.26 121.67 1wpg h ALA 292 Ca 0.15 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1wpg h ALA 292 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1wpg h ALA 292 CO 0.01 -0.13 0.48 0.82 0.00 0.00 0.00 179.25 180.43 1wpg h ILE 293 N 0.46 0.85 -0.67 0.00 2.04 -1.29 -1.41 117.51 117.49 1wpg h ILE 293 Ca 0.25 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1wpg h ILE 293 Cb 0.21 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1wpg h ILE 293 CO -0.21 0.09 0.10 0.22 0.00 0.00 0.00 178.15 178.35 1wpg h TYR 294 N 0.48 1.19 -0.15 1.37 3.20 -1.07 -0.02 116.97 121.97 1wpg h TYR 294 Ca 0.35 -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 1.00 -0.78 1.88 -1.64 0.00 0.00 178.16 178.62 1wpg h TYR 295 N 1.04 1.05 0.00 -3.82 -1.99 -1.16 -2.48 116.97 109.61 1wpg h TYR 295 Ca 0.20 -0.47 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1wpg h TYR 295 Cb 0.46 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1wpg h TYR 295 CO 0.03 1.30 0.00 1.19 -0.00 0.00 0.00 178.16 180.68 1wpg n PHE 296 N -3.93 0.00 -0.07 4.88 3.01 -0.63 -0.83 117.46 119.90 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 -0.18 -0.12 0.00 -0.01 0.00 0.00 39.48 39.92 1wpg n PHE 296 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1wpg h LYS 297 N 0.00 0.09 0.00 -1.08 1.63 -0.60 -3.35 116.57 113.26 1wpg h LYS 297 Ca 0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1wpg h LYS 297 Cb 0.13 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1wpg h LYS 297 CO 0.00 1.08 -0.33 0.44 -3.45 0.00 0.00 179.45 177.18 1wpg n ILE 298 N -4.12 0.05 -0.06 2.00 -5.35 -0.97 -3.25 119.36 107.66 1wpg n ILE 298 Ca -0.32 -0.03 -0.13 0.00 -0.27 0.00 0.00 62.75 61.99 1wpg n ILE 298 Cb 0.81 -0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 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 2.94 0.25 0.00 -1.28 0.00 -1.14 -0.09 119.26 119.95 1wpg h ALA 299 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1wpg h ALA 299 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wpg h ALA 299 CO 0.00 0.15 -0.17 -0.39 0.00 0.00 0.00 179.25 178.84 1wpg h VAL 300 N 0.07 0.34 -0.03 0.00 -1.51 -1.69 -2.31 116.25 111.11 1wpg h VAL 300 Ca 0.03 -1.19 -0.23 0.00 -1.23 0.00 0.00 66.70 64.07 1wpg h VAL 300 Cb 0.69 1.92 0.02 0.00 -2.13 0.00 0.00 31.29 31.79 1wpg h VAL 300 CO 0.04 0.17 -0.89 0.00 -1.23 0.00 0.00 177.57 175.66 1wpg h ALA 301 N 1.83 0.15 -0.47 5.19 0.00 -1.49 -2.03 119.26 122.44 1wpg h ALA 301 Ca -0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 1wpg h ALA 301 Cb 0.91 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wpg h ALA 301 CO 0.02 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.57 1wpg h LEU 302 N 0.32 1.03 0.68 0.00 3.38 -0.95 -1.04 115.31 118.73 1wpg h LEU 302 Ca -0.10 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1wpg h LEU 302 Cb 1.54 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 42.02 1wpg h LEU 302 CO 0.18 1.21 -0.33 0.00 0.09 0.00 0.00 178.44 179.58 1wpg h ALA 303 N 0.86 -0.92 -0.46 1.53 0.00 -1.43 -0.69 119.26 118.15 1wpg h ALA 303 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wpg h ALA 303 Cb 0.82 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1wpg h ALA 303 CO 0.07 -1.00 0.30 0.28 0.00 0.00 0.00 179.25 178.90 1wpg h VAL 304 N -0.95 1.10 0.00 0.00 2.07 -1.38 -1.84 116.25 115.26 1wpg h VAL 304 Ca -0.09 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1wpg h VAL 304 Cb 0.71 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1wpg h VAL 304 CO 0.15 0.11 -0.50 0.00 0.02 0.00 0.00 177.57 177.35 1wpg h ALA 305 N 1.72 0.83 0.18 1.67 0.00 -0.97 -3.31 119.26 119.37 1wpg h ALA 305 Ca 0.17 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 1wpg h ALA 305 Cb -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wpg h ALA 305 CO -0.04 0.63 -1.73 0.00 0.00 0.00 0.00 179.25 178.11 1wpg h ALA 306 N 1.50 0.18 -2.37 0.00 0.00 -0.54 -3.40 119.26 114.62 1wpg h ALA 306 Ca -0.01 -1.14 -0.57 0.00 0.00 0.00 0.00 54.91 53.19 1wpg h ALA 306 Cb 1.15 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1wpg h ALA 306 CO 0.07 1.04 0.42 0.42 0.00 0.00 0.00 179.25 181.20 1wpg s ILE 307 N -2.58 4.86 -1.14 0.00 1.01 -0.74 -4.83 121.20 117.78 1wpg s ILE 307 Ca -0.15 1.75 -0.21 0.00 0.00 0.00 0.00 60.65 62.04 1wpg s ILE 307 Cb 0.06 -4.19 0.06 0.00 0.01 0.00 0.00 42.46 38.40 1wpg s ILE 307 CO 0.85 0.04 1.57 -2.16 0.00 0.00 0.00 174.94 175.25 1wpg s PRO 308 N 1.98 3.76 0.39 2.79 0.04 -1.26 -4.86 135.00 137.85 1wpg s PRO 308 Ca 0.41 -1.50 0.19 0.00 0.04 0.00 0.00 61.00 60.14 1wpg s PRO 308 Cb -0.17 -5.44 1.12 0.00 0.04 0.00 0.00 34.50 30.05 1wpg s PRO 308 CO 0.15 -2.23 1.74 0.93 0.04 0.00 0.00 177.00 177.62 1wpg h GLU 309 N 8.83 0.36 -0.00 4.56 3.07 -1.88 -2.27 114.58 127.25 1wpg h GLU 309 Ca 0.31 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1wpg h GLU 309 Cb 0.95 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1wpg h GLU 309 CO 1.44 0.24 -0.46 0.41 -1.40 0.00 0.00 179.01 179.24 1wpg n GLY 310 N -1.45 -1.01 0.28 -3.84 0.00 -1.00 -4.49 105.19 93.70 1wpg n GLY 310 Ca 0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.43 -0.82 -1.94 0.99 5.85 -1.68 -0.87 115.31 117.26 1wpg h LEU 311 Ca 0.00 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1wpg h LEU 311 Cb 0.51 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1wpg h LEU 311 CO 0.00 -0.26 -0.06 1.55 -0.34 0.00 0.00 178.44 179.33 1wpg h PRO 312 N -0.13 0.00 0.00 5.25 0.13 -1.80 -1.16 132.00 134.30 1wpg h PRO 312 Ca 0.23 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.17 1wpg h PRO 312 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1wpg h PRO 312 CO -0.57 0.06 -0.90 0.00 -0.23 0.00 0.00 178.00 176.36 1wpg h ALA 313 N 1.94 0.51 -0.21 -0.56 0.00 -1.48 -2.32 119.26 117.14 1wpg h ALA 313 Ca -0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 1wpg h ALA 313 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wpg h ALA 313 CO 0.01 1.09 -0.55 0.28 0.00 0.00 0.00 179.25 180.08 1wpg h VAL 314 N 0.01 1.30 0.25 0.00 2.07 -0.45 -2.71 116.25 116.73 1wpg h VAL 314 Ca -0.02 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1wpg h VAL 314 Cb 1.59 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1wpg h VAL 314 CO 0.12 0.56 -0.12 0.40 0.02 0.00 0.00 177.57 178.55 1wpg h ILE 315 N 0.46 0.78 -0.16 4.57 2.04 -1.25 -0.79 117.51 123.15 1wpg h ILE 315 Ca -0.01 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1wpg h ILE 315 Cb 1.17 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1wpg h ILE 315 CO 0.12 0.04 -0.14 0.74 0.00 0.00 0.00 178.15 178.91 1wpg h THR 316 N -0.44 0.60 -0.79 -0.27 2.02 -1.48 0.94 112.91 113.50 1wpg h THR 316 Ca -0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1wpg h THR 316 Cb 0.33 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1wpg h THR 316 CO 0.06 0.00 0.48 0.74 0.37 0.00 0.00 175.52 177.17 1wpg h THR 317 N -0.16 1.05 0.59 3.16 2.02 -1.40 0.28 112.91 118.44 1wpg h THR 317 Ca 0.10 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1wpg h THR 317 Cb 0.32 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1wpg h THR 317 CO -0.26 0.16 -0.28 0.00 0.37 0.00 0.00 175.52 175.51 1wpg h LEU 319 N -0.94 0.42 -0.39 0.00 4.07 -0.57 0.26 115.31 118.15 1wpg h LEU 319 Ca -0.08 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1wpg h LEU 319 Cb 0.65 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1wpg h LEU 319 CO 0.13 0.27 0.24 0.00 -1.08 0.00 0.00 178.44 178.00 1wpg h ALA 320 N 1.36 0.50 -0.20 1.53 0.00 -0.44 0.11 119.26 122.12 1wpg h ALA 320 Ca 0.29 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1wpg h ALA 320 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wpg h ALA 320 CO -0.22 -0.01 -0.37 -0.07 0.00 0.00 0.00 179.25 178.58 1wpg h LEU 321 N 0.52 0.46 -0.84 0.00 3.38 -0.77 -2.59 115.31 115.47 1wpg h LEU 321 Ca 0.14 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1wpg h LEU 321 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1wpg h LEU 321 CO -0.03 0.79 -0.31 1.23 0.09 0.00 0.00 178.44 180.21 1wpg h GLY 322 N 1.10 0.55 0.92 0.83 0.00 0.03 -2.56 103.07 103.94 1wpg h GLY 322 Ca 0.04 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1wpg h GLY 322 CO 0.07 0.44 -0.03 -0.84 0.00 0.00 0.00 176.54 176.18 1wpg h THR 323 N 0.44 1.27 -0.19 4.70 2.02 -0.60 -0.66 112.91 119.88 1wpg h THR 323 Ca 0.05 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1wpg h THR 323 Cb 0.76 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1wpg h THR 323 CO 0.06 0.34 0.08 0.03 0.37 0.00 0.00 175.52 176.40 1wpg h ARG 324 N 0.45 0.26 -0.20 6.66 3.08 -1.36 0.15 114.38 123.43 1wpg h ARG 324 Ca 0.10 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.93 1wpg h ARG 324 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1wpg h ARG 324 CO 0.02 0.22 -0.64 -0.09 -1.07 0.00 0.00 179.97 178.41 1wpg h ARG 325 N 0.27 0.73 -0.31 0.04 2.43 -1.03 -3.02 114.38 113.48 1wpg h ARG 325 Ca 0.07 -0.52 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 1wpg h ARG 325 Cb 0.06 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1wpg h ARG 325 CO -0.01 1.14 -0.33 0.52 -1.51 0.00 0.00 179.97 179.79 1wpg h MET 326 N 0.53 0.69 -0.32 0.20 2.86 0.18 -2.52 114.93 116.56 1wpg h MET 326 Ca -0.01 -0.32 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1wpg h MET 326 Cb 1.24 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1wpg h MET 326 CO 0.13 0.92 0.22 0.00 1.06 0.00 0.00 176.91 179.24 1wpg h ALA 327 N 1.06 2.16 -0.03 6.32 0.00 -0.67 0.55 119.26 128.65 1wpg h ALA 327 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1wpg h ALA 327 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wpg h ALA 327 CO 0.07 -0.23 -0.47 0.87 0.00 0.00 0.00 179.25 179.49 1wpg h LYS 328 N 0.11 0.06 -0.14 0.00 1.79 -1.33 -1.31 116.57 115.75 1wpg h LYS 328 Ca 0.15 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1wpg h LYS 328 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1wpg h LYS 328 CO -0.02 0.52 0.00 1.63 -1.08 0.00 0.00 179.45 180.50 1wpg n LYS 329 N -3.98 1.40 -1.10 3.15 4.76 0.18 -4.89 118.16 117.68 1wpg n LYS 329 Ca -0.02 -0.61 -0.04 0.00 -2.87 0.00 0.00 58.31 54.78 1wpg n LYS 329 Cb 0.50 -1.22 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 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 -0.07 -3.61 -4.15 4.39 3.02 -0.49 -4.86 115.26 109.48 1wpg n ASN 330 Ca 0.09 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 1wpg n ASN 330 Cb 0.17 -1.42 -0.12 0.00 -0.61 0.00 0.00 39.78 37.80 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 -2.07 3.12 -0.32 5.41 0.00 -0.70 -1.73 121.76 125.47 1wpg s ALA 331 Ca 0.00 -2.35 -0.25 0.00 0.00 0.00 0.00 51.96 49.36 1wpg s ALA 331 Cb 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1wpg s ALA 331 CO 0.00 -1.69 0.88 0.42 0.00 0.00 0.00 175.76 175.37 1wpg s ILE 332 N 1.20 4.69 -0.27 0.00 1.09 -0.64 -3.03 121.20 124.25 1wpg s ILE 332 Ca 0.05 1.30 -0.14 0.00 -1.10 0.00 0.00 60.65 60.76 1wpg s ILE 332 Cb -0.22 -4.24 -0.04 0.00 -1.06 0.00 0.00 42.46 36.90 1wpg s ILE 332 CO -0.03 -0.36 0.35 -0.69 -0.10 0.00 0.00 174.94 174.12 1wpg s VAL 333 N 3.20 5.19 -0.79 2.92 1.01 -1.26 -0.80 120.40 129.87 1wpg s VAL 333 Ca 0.36 0.52 0.23 0.00 0.00 0.00 0.00 61.98 63.10 1wpg s VAL 333 Cb -0.13 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1wpg s VAL 333 CO 0.14 0.17 1.17 0.54 0.00 0.00 0.00 175.10 177.13 1wpg n ARG 334 N 5.26 0.16 -3.73 2.72 1.74 0.27 -4.74 116.66 118.34 1wpg n ARG 334 Ca -0.09 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 1wpg n ARG 334 Cb 0.51 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 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 -3.55 3.81 0.22 0.55 0.15 -1.11 -5.04 113.70 108.73 1wpg s SER 335 Ca 0.07 -1.46 -0.12 0.00 0.70 0.00 0.00 55.95 55.14 1wpg s SER 335 Cb 0.15 -0.80 0.28 0.00 -1.71 0.00 0.00 66.02 63.95 1wpg s SER 335 CO 0.77 -0.39 1.62 -0.07 1.20 0.00 0.00 173.24 176.37 1wpg h LEU 336 N 8.13 -0.58 -0.76 3.45 -0.00 -1.92 0.11 115.31 123.74 1wpg h LEU 336 Ca -0.15 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1wpg h LEU 336 Cb 1.03 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1wpg h LEU 336 CO 0.44 -0.21 0.10 -2.65 -0.00 0.00 0.00 178.44 176.12 1wpg n PRO 337 N -5.43 0.08 0.10 1.13 -0.02 -1.26 -1.91 135.00 127.68 1wpg n PRO 337 Ca 0.09 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1wpg n PRO 337 Cb 0.36 -1.85 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.06 -0.60 2.55 0.02 -1.16 -3.31 113.55 111.11 1wpg h SER 338 Ca 0.00 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1wpg h SER 338 Cb 0.20 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.62 1wpg h SER 338 CO 0.00 0.85 0.01 0.58 -1.14 0.00 0.00 176.83 177.13 1wpg h VAL 339 N 0.03 0.51 -0.39 2.27 2.07 -1.51 0.51 116.25 119.73 1wpg h VAL 339 Ca -0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1wpg h VAL 339 Cb 1.44 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1wpg h VAL 339 CO 0.11 0.02 0.18 1.05 0.02 0.00 0.00 177.57 178.96 1wpg h GLU 340 N 0.12 0.56 -0.15 1.57 4.11 -1.77 -3.07 114.58 115.96 1wpg h GLU 340 Ca 0.31 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.57 1wpg h GLU 340 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wpg h GLU 340 CO -0.51 0.50 -0.30 1.15 0.07 0.00 0.00 179.01 179.92 1wpg h THR 341 N 0.49 1.27 0.22 -1.06 2.02 -1.40 -3.26 112.91 111.19 1wpg h THR 341 Ca 0.13 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1wpg h THR 341 Cb 0.13 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1wpg h THR 341 CO -0.02 0.39 -0.19 0.25 0.37 0.00 0.00 175.52 176.32 1wpg h LEU 342 N 0.26 -0.50 -1.35 2.58 6.46 -0.83 -1.62 115.31 120.30 1wpg h LEU 342 Ca 0.04 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1wpg h LEU 342 Cb 0.67 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1wpg h LEU 342 CO 0.05 -0.29 0.04 0.61 -0.62 0.00 0.00 178.44 178.23 1wpg n GLY 343 N -1.32 -0.83 0.41 3.75 0.00 -1.23 -0.06 105.19 105.91 1wpg n GLY 343 Ca -0.08 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1wpg n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg s THR 345 N -2.39 2.06 -0.04 0.00 2.01 0.91 -4.57 115.64 113.61 1wpg s THR 345 Ca 0.25 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1wpg s THR 345 Cb 0.19 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 1wpg s THR 345 CO 0.50 0.01 0.13 -1.54 -0.69 0.00 0.00 174.62 173.03 1wpg n SER 346 N 3.12 3.22 -3.84 3.53 3.41 -0.61 -4.77 113.62 117.67 1wpg n SER 346 Ca 0.12 -0.10 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1wpg n SER 346 Cb 0.36 1.21 -0.17 0.00 -0.26 0.00 0.00 64.21 65.35 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 -2.24 0.36 -0.31 -3.33 1.01 -1.16 -1.01 120.40 113.72 1wpg s VAL 347 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1wpg s VAL 347 Cb 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1wpg s VAL 347 CO 0.22 0.20 0.06 -0.63 0.00 0.00 0.00 175.10 174.95 1wpg s ILE 348 N 1.19 3.54 0.02 2.22 1.01 0.12 -0.13 121.20 129.17 1wpg s ILE 348 Ca -0.07 -1.07 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 1wpg s ILE 348 Cb -0.14 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 1wpg s ILE 348 CO -0.02 -0.06 0.61 0.00 0.00 0.00 0.00 174.94 175.47 1wpg s SER 350 N -0.35 0.69 0.72 0.00 0.15 0.18 -0.62 113.70 114.48 1wpg s SER 350 Ca 0.31 -0.10 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 1wpg s SER 350 Cb -0.19 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1wpg s SER 350 CO 0.18 0.01 1.09 -0.62 1.20 0.00 0.00 173.24 175.09 1wpg s ASP 351 N 0.34 4.90 -0.07 5.45 3.68 0.24 -0.03 116.67 131.17 1wpg s ASP 351 Ca -0.04 1.81 -0.07 0.00 2.13 0.00 0.00 52.55 56.38 1wpg s ASP 351 Cb -0.08 -2.52 -0.02 0.00 -1.45 0.00 0.00 42.92 38.85 1wpg s ASP 351 CO -0.00 -1.77 -0.14 1.17 0.13 0.00 0.00 175.17 174.56 1wpg n LYS 352 N -3.13 0.22 -1.75 4.34 4.81 -1.26 -3.62 118.16 117.77 1wpg n LYS 352 Ca 0.09 0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 57.23 1wpg n LYS 352 Cb 0.53 -0.92 -0.03 0.00 0.02 0.00 0.00 35.03 34.63 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 -1.76 3.16 0.00 3.15 2.01 -1.26 -0.23 115.64 120.71 1wpg s THR 353 Ca -0.11 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1wpg s THR 353 Cb 0.02 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1wpg s THR 353 CO 0.17 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1wpg n GLY 354 N 4.81 1.44 0.86 4.40 0.00 -0.94 -4.81 105.19 110.95 1wpg n GLY 354 Ca 0.22 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 0.28 0.11 2.61 -1.04 -0.55 -4.75 114.28 108.93 1wpg n THR 355 Ca 0.00 0.14 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 1wpg n THR 355 Cb 0.00 -1.21 -0.01 0.00 -1.82 0.00 0.00 70.33 67.29 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 -9.94 -4.42 4.07 -0.67 -3.46 115.31 100.85 1wpg h LEU 356 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 1wpg h LEU 356 Cb 0.03 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.70 1wpg h LEU 356 CO 0.00 0.72 -0.48 0.42 -1.08 0.00 0.00 178.44 178.02 1wpg s THR 357 N -2.92 2.38 -0.55 0.22 -4.23 -0.43 -0.94 115.64 109.17 1wpg s THR 357 Ca 0.02 -1.64 0.24 0.00 -1.18 0.00 0.00 61.69 59.13 1wpg s THR 357 Cb 0.09 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.23 1wpg s THR 357 CO 0.77 -0.00 1.64 0.71 -0.54 0.00 0.00 174.62 177.20 1wpg h THR 358 N 1.37 0.00 -4.59 3.99 1.35 -1.35 -2.50 112.91 111.18 1wpg h THR 358 Ca -0.43 -0.79 -0.29 0.00 -0.55 0.00 0.00 66.41 64.35 1wpg h THR 358 Cb 1.25 1.75 0.10 0.00 -1.73 0.00 0.00 68.15 69.53 1wpg h THR 358 CO 0.68 0.00 -0.50 -3.20 -0.25 0.00 0.00 175.52 172.24 1wpg n ASN 359 N -2.74 -5.15 -3.55 5.36 4.05 -1.26 -4.65 115.26 107.32 1wpg n ASN 359 Ca 0.04 -0.40 -0.27 0.00 0.45 0.00 0.00 54.58 54.40 1wpg n ASN 359 Cb 0.49 -3.86 -0.15 0.00 1.23 0.00 0.00 39.78 37.49 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 -5.94 0.16 0.05 1.20 -0.21 -1.26 -4.95 119.66 108.71 1wpg s GLN 360 Ca 0.42 -0.37 -0.38 0.00 0.02 0.00 0.00 55.36 55.05 1wpg s GLN 360 Cb -0.19 -1.34 -0.17 0.00 1.00 0.00 0.00 33.01 32.32 1wpg s GLN 360 CO 0.54 -0.91 1.29 -1.33 -2.12 0.00 0.00 175.29 172.76 1wpg n MET 361 N 5.26 0.89 -4.02 2.91 2.81 -1.26 -4.48 117.12 119.22 1wpg n MET 361 Ca -0.06 0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 55.95 1wpg n MET 361 Cb 0.44 -1.93 -0.17 0.00 -0.71 0.00 0.00 33.22 30.86 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 0.48 0.96 -0.23 7.83 0.01 -0.27 -4.35 113.70 118.12 1wpg s SER 362 Ca 0.86 -0.09 -0.29 0.00 1.31 0.00 0.00 55.95 57.74 1wpg s SER 362 Cb -1.03 -0.39 -0.00 0.00 0.21 0.00 0.00 66.02 64.80 1wpg s SER 362 CO 0.50 -0.09 1.19 -0.69 0.41 0.00 0.00 173.24 174.55 1wpg s VAL 363 N 1.17 4.38 -0.38 3.43 1.01 -1.26 -1.41 120.40 127.34 1wpg s VAL 363 Ca -0.07 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.63 1wpg s VAL 363 Cb -0.14 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1wpg s VAL 363 CO -0.01 -0.26 0.34 0.00 0.00 0.00 0.00 175.10 175.17 1wpg s LYS 365 N -1.72 0.55 0.11 0.00 1.02 -1.16 -0.43 119.74 118.10 1wpg s LYS 365 Ca 0.03 -0.48 -0.25 0.00 0.02 0.00 0.00 55.97 55.29 1wpg s LYS 365 Cb 0.06 0.23 0.08 0.00 -0.52 0.00 0.00 37.83 37.67 1wpg s LYS 365 CO 0.32 -0.14 0.75 0.00 -0.92 0.00 0.00 175.35 175.36 1wpg s MET 366 N -1.77 1.15 0.06 1.68 0.23 -0.75 -0.45 119.30 119.45 1wpg s MET 366 Ca -0.12 -0.47 -0.22 0.00 -1.03 0.00 0.00 55.69 53.86 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 0.52 -0.59 -2.03 0.00 0.00 175.02 172.41 1wpg s PHE 367 N -3.49 -0.42 0.40 3.16 -0.71 -0.61 -0.99 117.98 115.32 1wpg s PHE 367 Ca 0.04 0.41 0.05 0.00 -1.04 0.00 0.00 56.93 56.39 1wpg s PHE 367 Cb -0.01 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1wpg s PHE 367 CO -0.09 -0.67 0.17 0.96 -1.34 0.00 0.00 175.22 174.25 1wpg s ILE 368 N -2.68 0.44 -0.25 -4.49 -4.36 -0.76 -1.59 121.20 107.51 1wpg s ILE 368 Ca -0.04 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.22 1wpg s ILE 368 Cb -0.00 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1wpg s ILE 368 CO -0.04 0.00 0.28 -0.63 0.24 0.00 0.00 174.94 174.79 1wpg s ILE 369 N -3.25 5.26 -0.06 8.37 -1.09 -1.26 -0.41 121.20 128.77 1wpg s ILE 369 Ca 0.26 0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 59.05 1wpg s ILE 369 Cb 0.02 -3.61 -0.27 0.00 -1.58 0.00 0.00 42.46 37.02 1wpg s ILE 369 CO 0.17 0.25 0.60 -0.78 -1.23 0.00 0.00 174.94 173.96 1wpg h ASP 370 N 7.85 0.39 -4.91 3.58 -0.00 -1.39 -3.37 116.42 118.57 1wpg h ASP 370 Ca -0.35 -0.70 -0.04 0.00 -0.00 0.00 0.00 57.03 55.94 1wpg h ASP 370 Cb 1.17 -0.13 -0.18 0.00 -0.00 0.00 0.00 39.33 40.19 1wpg h ASP 370 CO 0.64 1.61 0.23 -0.75 -0.00 0.00 0.00 179.24 180.98 1wpg s LYS 371 N -2.58 1.05 -0.08 0.28 2.20 -1.17 -4.85 119.74 114.59 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 0.49 0.03 0.00 -1.51 0.00 0.00 37.83 36.91 1wpg s LYS 371 CO 0.82 -0.36 0.00 0.08 -0.36 0.00 0.00 175.35 175.53 1wpg s VAL 372 N -1.71 0.41 -0.85 4.02 1.01 -1.26 -1.10 120.40 120.92 1wpg s VAL 372 Ca -0.08 0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1wpg s VAL 372 Cb -0.00 -0.60 0.29 0.00 0.00 0.00 0.00 36.38 36.07 1wpg s VAL 372 CO 0.04 0.22 1.19 0.47 0.00 0.00 0.00 175.10 177.02 1wpg n ASP 373 N 5.13 5.31 0.00 3.32 8.00 0.28 -4.98 116.55 133.62 1wpg n ASP 373 Ca -0.07 -3.49 0.00 0.00 0.71 0.00 0.00 54.79 51.93 1wpg n ASP 373 Cb 0.50 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 0.79 0.99 0.09 0.44 0.00 -1.26 -2.26 105.19 103.97 1wpg n GLY 374 Ca 0.31 0.47 -0.06 0.00 0.00 0.00 0.00 46.02 46.74 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 3.53 0.52 -4.89 1.61 10.43 -1.26 -4.75 116.55 121.74 1wpg n ASP 375 Ca 0.00 0.24 -0.34 0.00 2.57 0.00 0.00 54.79 57.26 1wpg n ASP 375 Cb 0.00 0.49 -0.05 0.00 1.84 0.00 0.00 41.12 43.40 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 -2.71 3.55 -0.13 1.24 5.36 -0.96 -3.61 117.98 120.72 1wpg s PHE 376 Ca -0.06 0.57 -0.12 0.00 -0.96 0.00 0.00 56.93 56.36 1wpg s PHE 376 Cb 0.08 -1.99 0.04 0.00 -0.34 0.00 0.00 43.02 40.80 1wpg s PHE 376 CO 0.83 0.56 0.35 0.00 -1.46 0.00 0.00 175.22 175.49 1wpg s SER 378 N 0.27 4.89 0.09 0.00 1.04 -0.26 -5.00 113.70 114.74 1wpg s SER 378 Ca -0.01 -0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.31 1wpg s SER 378 Cb -0.03 -1.59 -0.06 0.00 0.10 0.00 0.00 66.02 64.45 1wpg s SER 378 CO -0.00 0.26 0.37 -0.76 0.98 0.00 0.00 173.24 174.08 1wpg s LEU 379 N -0.17 4.32 -0.43 2.42 1.43 -1.26 -1.02 118.68 123.97 1wpg s LEU 379 Ca 0.03 0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 53.72 1wpg s LEU 379 Cb -0.13 -3.04 0.08 0.00 0.03 0.00 0.00 46.19 43.13 1wpg s LEU 379 CO 0.02 0.15 0.28 0.21 0.23 0.00 0.00 176.35 177.24 1wpg s ASN 380 N -1.97 5.70 -0.03 2.29 3.84 0.46 -4.79 114.94 120.44 1wpg s ASN 380 Ca 0.35 -1.49 -0.12 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 0.33 -1.61 -2.79 0.00 0.00 177.10 172.67 1wpg s GLU 381 N 1.45 3.75 0.12 0.43 2.02 -1.26 -1.83 118.70 123.38 1wpg s GLU 381 Ca 0.03 0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.27 1wpg s GLU 381 Cb -0.23 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1wpg s GLU 381 CO 0.03 0.70 -0.10 -0.06 0.02 0.00 0.00 175.26 175.85 1wpg s PHE 382 N -1.11 1.13 0.25 1.61 0.40 -0.16 -4.69 117.98 115.41 1wpg s PHE 382 Ca 0.22 -0.75 0.10 0.00 -0.60 0.00 0.00 56.93 55.90 1wpg s PHE 382 Cb -0.15 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.73 1wpg s PHE 382 CO 0.11 0.02 -0.16 -1.54 0.70 0.00 0.00 175.22 174.35 1wpg s SER 383 N -2.88 3.10 -0.04 1.36 1.04 -0.63 -1.80 113.70 113.84 1wpg s SER 383 Ca 0.12 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.51 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 -0.01 -0.10 -0.04 -0.63 0.98 0.00 0.00 173.24 173.45 1wpg s ILE 384 N -2.75 0.50 0.60 -1.02 -1.09 0.42 -0.17 121.20 117.69 1wpg s ILE 384 Ca 0.27 -0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1wpg s ILE 384 Cb -0.02 -0.54 0.04 0.00 -1.58 0.00 0.00 42.46 40.37 1wpg s ILE 384 CO 0.11 0.22 0.86 0.42 -1.23 0.00 0.00 174.94 175.32 1wpg s THR 385 N 0.96 2.53 0.00 2.92 -4.23 -0.52 -4.47 115.64 112.83 1wpg s THR 385 Ca -0.10 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1wpg s THR 385 Cb -0.14 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1wpg s THR 385 CO -0.00 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1wpg n GLY 386 N -2.55 2.69 0.02 3.99 0.00 -1.26 -4.07 105.19 104.02 1wpg n GLY 386 Ca 0.08 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 2.08 -3.35 1.61 7.64 -1.26 -4.93 113.62 115.41 1wpg n SER 387 Ca 0.00 -2.32 -0.20 0.00 1.01 0.00 0.00 58.87 57.36 1wpg n SER 387 Cb 0.00 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 1wpg n SER 387 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wpg n THR 388 N -0.77 0.00 0.82 0.44 -2.24 -1.26 -4.70 114.28 106.57 1wpg n THR 388 Ca 0.05 -2.18 0.11 0.00 -2.27 0.00 0.00 64.05 59.76 1wpg n THR 388 Cb 0.37 0.93 0.50 0.00 -2.10 0.00 0.00 70.33 70.03 1wpg n THR 388 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wpg n TYR 389 N -0.71 0.00 -1.82 4.78 4.01 -1.26 -4.81 117.16 117.36 1wpg n TYR 389 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1wpg n TYR 389 Cb 0.55 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 1wpg n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wpg s ALA 390 N -2.96 3.65 0.00 -0.72 0.00 -1.26 -4.78 121.76 115.69 1wpg s ALA 390 Ca 0.12 1.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 1wpg s ALA 390 Cb 0.15 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 1wpg s ALA 390 CO 0.41 -0.99 2.50 -0.35 0.00 0.00 0.00 175.76 177.34 1wpg n PRO 391 N 1.37 1.31 -4.66 0.00 -0.04 -1.26 -4.77 135.00 126.95 1wpg n PRO 391 Ca 0.05 -0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 62.61 1wpg n PRO 391 Cb 0.39 -1.69 -0.15 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.27 3.21 0.00 0.54 2.02 -1.26 -4.66 118.70 119.82 1wpg s GLU 392 Ca 0.38 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1wpg s GLU 392 Cb 0.18 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.84 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 3.12 3.31 -1.39 0.00 -1.26 -4.40 105.19 108.47 1wpg n GLY 393 Ca -0.19 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.10 1.22 -0.20 1.61 2.02 -1.26 -4.88 118.70 115.12 1wpg s GLU 394 Ca 0.00 -1.52 -0.19 0.00 0.02 0.00 0.00 54.97 53.28 1wpg s GLU 394 Cb 0.00 -0.94 -0.03 0.00 0.10 0.00 0.00 34.13 33.26 1wpg s GLU 394 CO 0.00 0.15 0.55 0.08 0.02 0.00 0.00 175.26 176.05 1wpg s VAL 395 N -3.05 5.08 0.09 2.63 1.01 -1.26 -1.44 120.40 123.46 1wpg s VAL 395 Ca 0.20 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.25 1wpg s VAL 395 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1wpg s VAL 395 CO 0.04 0.15 -0.10 -0.76 0.00 0.00 0.00 175.10 174.43 1wpg s LEU 396 N 1.75 3.02 -0.14 3.92 1.43 0.76 -2.19 118.68 127.24 1wpg s LEU 396 Ca 0.25 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1wpg s LEU 396 Cb -0.16 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1wpg s LEU 396 CO 0.10 0.19 -0.09 -0.75 0.23 0.00 0.00 176.35 176.03 1wpg s LYS 397 N -2.10 1.70 -1.46 1.70 2.47 0.30 -1.60 119.74 120.76 1wpg s LYS 397 Ca 0.21 -0.42 -0.07 0.00 -1.56 0.00 0.00 55.97 54.13 1wpg s LYS 397 Cb -0.11 -1.85 0.03 0.00 -1.46 0.00 0.00 37.83 34.44 1wpg s LYS 397 CO 0.13 -0.31 0.58 0.09 0.16 0.00 0.00 175.35 176.00 1wpg n ASN 398 N 4.88 -5.26 -0.27 1.43 3.02 -1.26 -1.02 115.26 116.78 1wpg n ASN 398 Ca -0.13 -0.33 -0.03 0.00 -0.03 0.00 0.00 54.58 54.05 1wpg n ASN 398 Cb 0.49 -4.28 -0.01 0.00 -0.61 0.00 0.00 39.78 35.37 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 -2.46 -4.41 -4.29 6.41 9.92 -1.26 -5.00 116.55 115.46 1wpg n ASP 399 Ca -0.07 0.09 -0.31 0.00 -0.53 0.00 0.00 54.79 53.96 1wpg n ASP 399 Cb 0.59 -2.21 -0.16 0.00 -0.64 0.00 0.00 41.12 38.69 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 -1.62 2.34 0.33 -1.24 1.02 -0.19 -5.03 119.74 115.35 1wpg s LYS 400 Ca 0.00 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 54.79 1wpg s LYS 400 Cb 0.00 -2.10 -0.12 0.00 -0.52 0.00 0.00 37.83 35.09 1wpg s LYS 400 CO 0.00 0.46 1.28 -2.30 -0.92 0.00 0.00 175.35 173.87 1wpg n PRO 401 N 2.71 2.07 -4.05 -1.68 -0.02 -1.26 -0.53 135.00 132.23 1wpg n PRO 401 Ca -0.17 0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1wpg n PRO 401 Cb 0.52 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.05 0.09 -0.39 4.25 -5.25 -0.93 -4.82 121.20 113.10 1wpg s ILE 402 Ca 0.56 -1.65 -0.15 0.00 -0.99 0.00 0.00 60.65 58.42 1wpg s ILE 402 Cb -0.58 -1.91 0.01 0.00 2.95 0.00 0.00 42.46 42.93 1wpg s ILE 402 CO 0.62 -0.42 0.29 -0.13 -1.79 0.00 0.00 174.94 173.51 1wpg s ARG 403 N -4.00 3.13 0.45 0.37 1.81 -1.26 -4.60 118.95 114.85 1wpg s ARG 403 Ca 0.20 -0.89 0.20 0.00 -1.72 0.00 0.00 55.73 53.52 1wpg s ARG 403 Cb 0.06 -3.93 1.16 0.00 -0.45 0.00 0.00 34.95 31.78 1wpg s ARG 403 CO 0.00 -0.67 1.89 0.77 -0.68 0.00 0.00 175.30 176.62 1wpg h SER 404 N 8.59 0.31 0.00 0.23 0.02 -1.90 -0.67 113.55 120.13 1wpg h SER 404 Ca -0.28 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1wpg h SER 404 Cb 1.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1wpg h SER 404 CO 0.71 0.14 0.18 1.23 -1.14 0.00 0.00 176.83 177.94 1wpg h GLY 405 N 0.31 0.00 1.91 -3.77 0.00 -1.80 -1.38 103.07 98.34 1wpg h GLY 405 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1wpg h GLY 405 CO -0.12 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.36 1wpg n GLN 406 N -2.97 0.05 -4.08 4.80 6.02 -0.26 -4.61 117.38 116.34 1wpg n GLN 406 Ca -0.02 0.19 -0.33 0.00 -0.01 0.00 0.00 57.00 56.82 1wpg n GLN 406 Cb 0.24 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.91 2.85 0.51 1.08 0.08 -0.52 -4.97 117.98 114.09 1wpg s PHE 407 Ca 0.10 -1.58 0.17 0.00 0.12 0.00 0.00 56.93 55.74 1wpg s PHE 407 Cb 0.11 -1.95 1.24 0.00 -0.57 0.00 0.00 43.02 41.85 1wpg s PHE 407 CO 0.31 -0.77 2.10 -0.44 -0.10 0.00 0.00 175.22 176.31 1wpg h ASP 408 N 7.96 0.07 -0.59 1.36 3.45 -1.85 -1.31 116.42 125.50 1wpg h ASP 408 Ca -0.43 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 56.96 1wpg h ASP 408 Cb 1.14 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.87 1wpg h ASP 408 CO 0.62 0.05 0.13 1.23 -1.57 0.00 0.00 179.24 179.70 1wpg h GLY 409 N 0.08 1.04 1.89 2.75 0.00 -1.94 -2.09 103.07 104.80 1wpg h GLY 409 Ca 0.08 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 1wpg h GLY 409 CO -0.01 0.62 -0.57 1.41 0.00 0.00 0.00 176.54 177.99 1wpg h LEU 410 N 0.87 0.12 -0.48 3.11 3.38 -1.54 -0.94 115.31 119.83 1wpg h LEU 410 Ca 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1wpg h LEU 410 Cb 0.38 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1wpg h LEU 410 CO 0.01 0.67 0.23 0.58 0.09 0.00 0.00 178.44 180.01 1wpg h VAL 411 N 0.08 1.19 -0.21 1.22 2.07 -1.06 0.10 116.25 119.64 1wpg h VAL 411 Ca -0.00 -0.53 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 1wpg h VAL 411 Cb 1.03 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1wpg h VAL 411 CO 0.08 0.21 -0.58 -0.08 0.02 0.00 0.00 177.57 177.22 1wpg h GLU 412 N 0.63 0.67 -0.07 1.57 4.81 -1.22 -2.02 114.58 118.95 1wpg h GLU 412 Ca 0.16 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1wpg h GLU 412 Cb 0.12 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1wpg h GLU 412 CO -0.02 1.06 0.03 1.25 -0.73 0.00 0.00 179.01 180.61 1wpg h LEU 413 N 0.51 0.05 -1.49 1.64 6.46 -0.86 -0.99 115.31 120.64 1wpg h LEU 413 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1wpg h LEU 413 Cb 1.16 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1wpg h LEU 413 CO 0.12 0.04 0.12 0.00 -0.62 0.00 0.00 178.44 178.10 1wpg h ALA 414 N 1.03 1.60 -0.37 1.25 0.00 -0.96 -0.21 119.26 121.60 1wpg h ALA 414 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wpg h ALA 414 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wpg h ALA 414 CO -0.02 0.31 0.13 1.15 0.00 0.00 0.00 179.25 180.83 1wpg h THR 415 N 0.46 1.20 -0.32 0.00 2.02 -0.74 0.92 112.91 116.45 1wpg h THR 415 Ca 0.11 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1wpg h THR 415 Cb 0.11 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1wpg h THR 415 CO -0.01 0.22 0.09 0.40 0.37 0.00 0.00 175.52 176.59 1wpg h ILE 416 N 0.45 1.21 -0.40 3.11 2.04 -0.46 -1.17 117.51 122.29 1wpg h ILE 416 Ca 0.12 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1wpg h ILE 416 Cb 0.21 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1wpg h ILE 416 CO -0.01 0.24 0.18 0.00 0.00 0.00 0.00 178.15 178.56 1wpg h ALA 418 N 1.65 0.13 0.18 0.00 0.00 -0.61 -3.39 119.26 117.22 1wpg h ALA 418 Ca 0.14 -0.49 -0.33 0.00 0.00 0.00 0.00 54.91 54.23 1wpg h ALA 418 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wpg h ALA 418 CO -0.02 0.27 -1.58 -0.07 0.00 0.00 0.00 179.25 177.85 1wpg h LEU 419 N -0.10 0.61 -6.59 0.00 3.38 -1.03 -3.38 115.31 108.20 1wpg h LEU 419 Ca -0.04 -0.79 -0.75 0.00 0.09 0.00 0.00 57.88 56.40 1wpg h LEU 419 Cb 1.10 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1wpg h LEU 419 CO 0.09 1.64 2.01 0.00 0.09 0.00 0.00 178.44 182.27 1wpg s ASN 421 N 1.27 -0.93 0.00 0.00 3.84 -1.26 -4.83 114.94 113.04 1wpg s ASN 421 Ca 0.41 1.48 0.19 0.00 0.21 0.00 0.00 52.86 55.15 1wpg s ASN 421 Cb 0.08 1.38 0.48 0.00 -0.55 0.00 0.00 41.25 42.64 1wpg s ASN 421 CO -0.00 -0.24 1.40 0.47 -2.79 0.00 0.00 177.10 175.95 1wpg n ASP 422 N 4.35 3.50 -4.07 -4.21 10.43 -1.26 -4.99 116.55 120.29 1wpg n ASP 422 Ca -0.20 -1.97 -0.24 0.00 2.57 0.00 0.00 54.79 54.95 1wpg n ASP 422 Cb 0.58 -0.34 -0.04 0.00 1.84 0.00 0.00 41.12 43.16 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 1.30 2.92 -1.68 -2.24 7.64 -1.26 -4.88 113.62 115.41 1wpg n SER 423 Ca 0.19 -2.65 -0.04 0.00 1.01 0.00 0.00 58.87 57.39 1wpg n SER 423 Cb 0.56 0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.37 -0.86 -4.38 6.43 3.41 -0.25 -4.95 113.62 111.66 1wpg n SER 424 Ca -0.13 -1.61 -0.27 0.00 -0.26 0.00 0.00 58.87 56.60 1wpg n SER 424 Cb 0.49 1.43 -0.12 0.00 -0.26 0.00 0.00 64.21 65.75 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 2.37 -0.09 1.04 2.96 -1.26 -1.67 118.68 122.02 1wpg s LEU 425 Ca 0.06 -0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 1wpg s LEU 425 Cb -0.02 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.60 1wpg s LEU 425 CO 0.05 0.12 0.23 -0.62 -1.32 0.00 0.00 176.35 174.81 1wpg s ASP 426 N -2.31 -0.25 -0.33 3.68 2.15 -0.43 -4.69 116.67 114.49 1wpg s ASP 426 Ca 0.15 0.48 -0.15 0.00 0.43 0.00 0.00 52.55 53.46 1wpg s ASP 426 Cb -0.09 0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 42.95 1wpg s ASP 426 CO 0.07 -0.12 0.36 0.12 -0.17 0.00 0.00 175.17 175.43 1wpg s PHE 427 N 0.63 3.21 -0.66 -5.34 5.36 -1.26 -0.17 117.98 119.75 1wpg s PHE 427 Ca -0.04 0.02 -0.26 0.00 -0.96 0.00 0.00 56.93 55.68 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 -0.41 1.15 1.21 -1.46 0.00 0.00 175.22 175.68 1wpg s ASN 428 N 1.73 6.26 0.52 6.13 3.84 -0.27 -4.85 114.94 128.29 1wpg s ASN 428 Ca 0.12 -0.40 0.17 0.00 0.21 0.00 0.00 52.86 52.96 1wpg s ASN 428 Cb -0.16 -2.51 1.29 0.00 -0.55 0.00 0.00 41.25 39.31 1wpg s ASN 428 CO 0.11 -1.59 2.14 -0.33 -2.79 0.00 0.00 177.10 174.64 1wpg h GLU 429 N 9.73 0.00 0.10 0.43 5.08 -1.95 0.44 114.58 128.41 1wpg h GLU 429 Ca -0.27 0.00 -0.00 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 0.03 -0.05 1.15 -1.00 0.00 0.00 179.01 180.35 1wpg h THR 430 N 0.00 1.10 0.00 1.13 2.02 -1.95 -3.25 112.91 111.96 1wpg h THR 430 Ca -0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1wpg h THR 430 Cb 0.05 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1wpg h THR 430 CO 0.00 0.28 0.00 0.11 0.37 0.00 0.00 175.52 176.29 1wpg h LYS 431 N -0.77 0.00 -1.01 6.66 1.57 -1.95 -3.47 116.57 117.60 1wpg h LYS 431 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1wpg h LYS 431 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1wpg h LYS 431 CO 0.02 0.00 -0.21 0.41 -0.57 0.00 0.00 179.45 179.10 1wpg n GLY 432 N 0.92 0.32 3.17 3.86 0.00 0.15 -5.03 105.19 108.58 1wpg n GLY 432 Ca 0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.41 0.11 0.24 1.61 -7.23 -1.12 -4.98 120.40 106.62 1wpg s VAL 433 Ca 0.00 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.16 1wpg s VAL 433 Cb 0.00 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 1wpg s VAL 433 CO 0.00 -0.50 0.74 -0.31 -0.31 0.00 0.00 175.10 174.72 1wpg s TYR 434 N -4.02 3.61 0.08 2.82 1.51 -1.26 -1.11 117.35 118.98 1wpg s TYR 434 Ca 0.21 1.39 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 1wpg s TYR 434 Cb 0.07 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1wpg s TYR 434 CO 0.00 0.29 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.44 1wpg s GLU 435 N -2.12 0.74 0.54 -0.62 2.02 0.76 -4.76 118.70 115.25 1wpg s GLU 435 Ca 0.45 -1.10 -0.13 0.00 0.02 0.00 0.00 54.97 54.21 1wpg s GLU 435 Cb -0.16 -0.33 -0.06 0.00 0.10 0.00 0.00 34.13 33.68 1wpg s GLU 435 CO 0.21 0.03 0.96 -1.59 0.02 0.00 0.00 175.26 174.89 1wpg s LYS 436 N -2.80 3.78 -0.30 1.61 -2.85 -1.26 -1.32 119.74 116.60 1wpg s LYS 436 Ca 0.03 0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 55.76 1wpg s LYS 436 Cb -0.02 -2.16 0.10 0.00 -2.06 0.00 0.00 37.83 33.69 1wpg s LYS 436 CO -0.02 -0.35 0.10 0.08 0.10 0.00 0.00 175.35 175.27 1wpg s VAL 437 N -2.80 0.70 0.00 1.79 1.01 -0.67 -4.83 120.40 115.60 1wpg s VAL 437 Ca 0.56 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1wpg s VAL 437 Cb -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1wpg s VAL 437 CO 0.40 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1wpg n GLY 438 N 4.92 0.09 3.77 4.51 0.00 -1.26 -1.08 105.19 116.14 1wpg n GLY 438 Ca -0.03 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 0.21 1.61 0.41 -1.26 -4.94 118.70 119.02 1wpg s GLU 439 Ca 0.00 1.69 -0.09 0.00 -0.41 0.00 0.00 54.97 56.16 1wpg s GLU 439 Cb 0.00 -2.77 0.17 0.00 -1.78 0.00 0.00 34.13 29.74 1wpg s GLU 439 CO 0.00 -0.08 1.83 0.00 -0.49 0.00 0.00 175.26 176.52 1wpg h ALA 440 N 2.93 1.02 0.00 5.21 0.00 -1.96 -0.49 119.26 125.97 1wpg h ALA 440 Ca -0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 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 0.54 -0.10 1.79 0.00 0.00 0.00 179.25 182.12 1wpg h THR 441 N 1.11 0.28 0.10 0.00 1.35 -1.94 -1.75 112.91 112.07 1wpg h THR 441 Ca 0.28 -0.68 -0.34 0.00 -0.55 0.00 0.00 66.41 65.12 1wpg h THR 441 Cb 0.04 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1wpg h THR 441 CO -0.04 0.09 -1.85 -0.33 -0.25 0.00 0.00 175.52 173.14 1wpg h GLU 442 N 0.00 0.21 -0.17 4.72 5.08 -1.82 -3.32 114.58 119.28 1wpg h GLU 442 Ca -0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 1wpg h GLU 442 Cb 0.53 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1wpg h GLU 442 CO 0.01 1.05 -0.14 1.15 -1.00 0.00 0.00 179.01 180.08 1wpg h THR 443 N 0.06 1.19 -0.55 1.13 2.02 -0.92 0.19 112.91 116.04 1wpg h THR 443 Ca -0.36 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 65.98 1wpg h THR 443 Cb 2.03 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 1wpg h THR 443 CO 0.10 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.63 1wpg h ALA 444 N 1.60 1.64 -0.24 6.16 0.00 -1.44 0.16 119.26 127.14 1wpg h ALA 444 Ca 0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1wpg h ALA 444 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wpg h ALA 444 CO 0.02 0.32 -0.48 -0.07 0.00 0.00 0.00 179.25 179.05 1wpg h LEU 445 N 0.72 0.69 -0.32 0.00 4.07 -1.11 -2.03 115.31 117.34 1wpg h LEU 445 Ca 0.21 -0.34 -0.04 0.00 0.08 0.00 0.00 57.88 57.78 1wpg h LEU 445 Cb -0.03 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1wpg h LEU 445 CO -0.05 1.06 0.04 0.74 -1.08 0.00 0.00 178.44 179.15 1wpg h THR 446 N 0.51 1.24 0.00 0.22 2.02 0.16 -2.48 112.91 114.59 1wpg h THR 446 Ca 0.03 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 1wpg h THR 446 Cb 1.02 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1wpg h THR 446 CO 0.10 0.28 -0.54 0.71 0.37 0.00 0.00 175.52 176.43 1wpg h THR 447 N 0.36 1.36 -0.61 3.16 1.35 -0.75 -2.70 112.91 115.08 1wpg h THR 447 Ca 0.10 -1.89 0.02 0.00 -0.55 0.00 0.00 66.41 64.09 1wpg h THR 447 Cb 0.38 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.79 1wpg h THR 447 CO 0.01 0.53 0.39 0.25 -0.25 0.00 0.00 175.52 176.45 1wpg h LEU 448 N 0.00 0.64 -0.82 3.87 5.85 -1.14 -0.73 115.31 122.99 1wpg h LEU 448 Ca -0.01 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1wpg h LEU 448 Cb 0.98 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1wpg h LEU 448 CO 0.07 0.46 -0.49 -0.37 -0.34 0.00 0.00 178.44 177.77 1wpg h VAL 449 N 0.77 1.34 -0.43 1.05 -1.51 -1.18 0.22 116.25 116.52 1wpg h VAL 449 Ca 0.24 -1.70 -0.04 0.00 -1.23 0.00 0.00 66.70 63.96 1wpg h VAL 449 Cb -0.02 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 1wpg h VAL 449 CO -0.08 0.51 0.09 -0.33 -1.23 0.00 0.00 177.57 176.52 1wpg h GLU 450 N 0.20 0.64 -0.12 5.19 4.39 -1.07 -0.17 114.58 123.65 1wpg h GLU 450 Ca 0.01 -0.12 -0.20 0.00 0.34 0.00 0.00 59.36 59.39 1wpg h GLU 450 Cb 0.93 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1wpg h GLU 450 CO 0.08 0.60 -0.71 0.87 -1.16 0.00 0.00 179.01 178.69 1wpg h LYS 451 N 0.63 0.69 -0.46 2.33 1.57 -0.66 -3.29 116.57 117.38 1wpg h LYS 451 Ca 0.14 -0.58 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 1wpg h LYS 451 Cb 0.26 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1wpg h LYS 451 CO -0.00 1.19 -0.07 0.52 -0.57 0.00 0.00 179.45 180.52 1wpg h MET 452 N 0.37 0.80 -7.02 3.15 2.86 -0.55 -3.44 114.93 111.11 1wpg h MET 452 Ca -0.05 -0.25 -0.60 0.00 -2.06 0.00 0.00 59.70 56.73 1wpg h MET 452 Cb 1.35 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.83 1wpg h MET 452 CO 0.15 0.85 -0.98 -1.71 1.06 0.00 0.00 176.91 176.28 1wpg n ASN 453 N -4.18 -1.88 0.15 1.22 2.85 -0.11 -4.38 115.26 108.93 1wpg n ASN 453 Ca 0.02 -1.28 0.19 0.00 -0.11 0.00 0.00 54.58 53.40 1wpg n ASN 453 Cb 0.34 -1.55 0.79 0.00 1.24 0.00 0.00 39.78 40.60 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 -2.22 0.41 -0.68 3.44 -1.51 -1.90 -0.89 116.25 112.89 1wpg h VAL 454 Ca -0.68 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1wpg h VAL 454 Cb 1.38 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 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 -3.73 1.01 -3.80 5.19 3.72 -1.26 -3.93 117.46 114.66 1wpg n PHE 455 Ca 0.04 -0.48 -0.26 0.00 -0.05 0.00 0.00 57.45 56.70 1wpg n PHE 455 Cb 0.48 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.44 -3.59 -4.76 4.37 3.02 -0.34 -4.93 115.26 110.47 1wpg n ASN 456 Ca 0.23 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.61 1wpg n ASN 456 Cb 0.63 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.67 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 3.21 -0.14 3.41 2.01 -1.26 -4.97 115.64 114.47 1wpg s THR 457 Ca 0.40 1.21 -0.29 0.00 0.31 0.00 0.00 61.69 63.33 1wpg s THR 457 Cb -0.20 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1wpg s THR 457 CO 0.81 0.29 1.31 -1.83 -0.69 0.00 0.00 174.62 174.51 1wpg s GLU 458 N -1.53 4.24 0.00 4.92 1.03 -1.26 -4.83 118.70 121.27 1wpg s GLU 458 Ca 0.46 1.74 0.00 0.00 0.03 0.00 0.00 54.97 57.20 1wpg s GLU 458 Cb -0.35 -3.77 0.00 0.00 -0.80 0.00 0.00 34.13 29.21 1wpg s GLU 458 CO 0.45 -0.70 0.08 1.33 -1.33 0.00 0.00 175.26 175.09 1wpg n VAL 459 N 5.30 0.00 0.27 1.83 0.24 -1.26 -4.81 118.33 119.89 1wpg n VAL 459 Ca 0.14 -0.26 0.16 0.00 -2.04 0.00 0.00 64.34 62.34 1wpg n VAL 459 Cb 0.45 1.15 0.79 0.00 -1.47 0.00 0.00 33.84 34.75 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 -0.24 7.34 -0.00 -2.02 -2.56 114.38 116.90 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 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.04 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 -2.61 3.37 -4.92 0.08 6.94 -1.26 -5.01 115.26 111.85 1wpg n ASN 461 Ca -0.01 -2.71 -0.27 0.00 -0.02 0.00 0.00 54.58 51.56 1wpg n ASN 461 Cb 0.10 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.07 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 -2.27 4.08 0.75 -4.53 1.43 -0.97 -5.09 118.68 112.08 1wpg s LEU 462 Ca 0.34 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1wpg s LEU 462 Cb 0.26 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1wpg s LEU 462 CO 0.09 -0.19 1.09 -0.94 0.23 0.00 0.00 176.35 176.63 1wpg s SER 463 N -3.35 5.00 0.28 2.29 1.04 -1.26 -4.80 113.70 112.91 1wpg s SER 463 Ca 0.42 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 1wpg s SER 463 Cb -0.11 -2.09 0.47 0.00 0.10 0.00 0.00 66.02 64.40 1wpg s SER 463 CO 0.31 -1.65 1.89 0.11 0.98 0.00 0.00 173.24 174.89 1wpg h LYS 464 N -0.86 1.07 -0.41 4.02 1.79 -1.98 -0.46 116.57 119.73 1wpg h LYS 464 Ca -0.46 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 57.88 1wpg h LYS 464 Cb 1.25 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1wpg h LYS 464 CO 0.60 0.71 -0.01 -0.39 -1.08 0.00 0.00 179.45 179.28 1wpg h VAL 465 N 1.10 1.26 0.00 0.50 -1.51 -1.92 -2.71 116.25 112.98 1wpg h VAL 465 Ca 0.42 -1.04 -0.16 0.00 -1.23 0.00 0.00 66.70 64.69 1wpg h VAL 465 Cb 0.20 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 1wpg h VAL 465 CO -0.16 0.35 -0.74 -0.08 -1.23 0.00 0.00 177.57 175.71 1wpg h GLU 466 N 0.57 0.00 -0.24 5.19 4.81 -1.83 -3.15 114.58 119.92 1wpg h GLU 466 Ca 0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1wpg h GLU 466 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1wpg h GLU 466 CO 0.02 0.74 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.83 1wpg h ARG 467 N 0.00 0.40 -0.90 1.92 9.65 -1.04 -3.22 114.38 121.19 1wpg h ARG 467 Ca -0.01 -0.11 0.26 0.00 -1.10 0.00 0.00 59.98 59.03 1wpg h ARG 467 Cb 1.32 -0.05 -0.17 0.00 -1.39 0.00 0.00 29.97 29.68 1wpg h ARG 467 CO 0.10 0.53 0.08 0.00 2.80 0.00 0.00 179.97 183.48 1wpg n ALA 468 N -2.48 0.52 -1.70 2.80 0.00 -1.03 -1.95 120.51 116.68 1wpg n ALA 468 Ca 0.00 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.45 1wpg n ALA 468 Cb 0.30 -0.73 0.09 0.00 0.00 0.00 0.00 19.45 19.11 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 -5.27 1.25 0.07 0.00 3.02 -1.24 -4.65 115.26 108.43 1wpg n ASN 469 Ca 0.23 -2.69 -0.12 0.00 -0.03 0.00 0.00 54.58 51.97 1wpg n ASN 469 Cb 0.76 -0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.33 -0.46 -0.00 5.41 0.00 -1.40 -1.14 119.26 122.00 1wpg h ALA 470 Ca -0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wpg h ALA 470 Cb 1.28 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1wpg h ALA 470 CO 0.02 -0.83 -0.58 0.00 0.00 0.00 0.00 179.25 177.85 1wpg h ASN 472 N 0.01 0.65 -0.33 0.00 2.35 -1.83 -2.82 115.58 113.61 1wpg h ASN 472 Ca -0.01 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.40 1wpg h ASN 472 Cb 1.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1wpg h ASN 472 CO 0.08 0.94 -0.06 0.28 -1.65 0.00 0.00 177.43 177.01 1wpg h SER 473 N 0.53 0.71 -0.91 5.81 0.02 -1.05 -2.07 113.55 116.59 1wpg h SER 473 Ca 0.06 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1wpg h SER 473 Cb 0.84 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1wpg h SER 473 CO 0.07 0.82 0.60 0.58 -1.14 0.00 0.00 176.83 177.76 1wpg h VAL 474 N 0.68 1.21 -0.46 2.27 2.07 -1.24 -1.68 116.25 119.11 1wpg h VAL 474 Ca 0.12 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1wpg h VAL 474 Cb 0.51 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1wpg h VAL 474 CO 0.03 0.22 -0.10 0.40 0.02 0.00 0.00 177.57 178.14 1wpg h ILE 475 N 1.21 1.26 0.00 4.57 2.04 -1.26 -1.63 117.51 123.69 1wpg h ILE 475 Ca 0.34 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1wpg h ILE 475 Cb -0.11 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1wpg h ILE 475 CO -0.08 0.40 0.00 0.54 0.00 0.00 0.00 178.15 179.01 1wpg n ARG 476 N -4.16 0.08 0.12 2.37 1.74 -0.68 -1.63 116.66 114.49 1wpg n ARG 476 Ca 0.02 0.42 0.02 0.00 -0.77 0.00 0.00 57.85 57.53 1wpg n ARG 476 Cb 0.37 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.11 5.56 1.08 -0.77 -3.36 115.11 117.72 1wpg h GLN 477 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 1wpg h GLN 477 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1wpg h GLN 477 CO 0.00 0.45 -1.89 -0.07 -0.95 0.00 0.00 178.83 176.37 1wpg h LEU 478 N 0.00 0.35 -8.48 1.46 3.38 -1.31 -3.42 115.31 107.29 1wpg h LEU 478 Ca -0.03 -0.75 -0.60 0.00 0.09 0.00 0.00 57.88 56.59 1wpg h LEU 478 Cb 1.41 -0.11 -0.28 0.00 0.09 0.00 0.00 40.66 41.77 1wpg h LEU 478 CO 0.06 1.66 -0.85 -0.04 0.09 0.00 0.00 178.44 179.36 1wpg s MET 479 N -2.57 1.62 -0.16 1.13 -1.94 -1.05 -0.78 119.30 115.55 1wpg s MET 479 Ca -0.18 -0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 52.96 1wpg s MET 479 Cb 0.07 -1.62 -0.02 0.00 2.01 0.00 0.00 34.83 35.27 1wpg s MET 479 CO 0.79 0.43 -0.06 0.21 -0.01 0.00 0.00 175.02 176.39 1wpg s LYS 480 N -0.71 3.57 -0.21 2.03 2.20 0.68 -4.51 119.74 122.79 1wpg s LYS 480 Ca 0.08 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1wpg s LYS 480 Cb -0.08 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1wpg s LYS 480 CO 0.00 0.17 0.97 0.21 -0.36 0.00 0.00 175.35 176.35 1wpg s LYS 481 N 0.51 4.26 -0.14 4.03 2.20 -1.26 -1.02 119.74 128.33 1wpg s LYS 481 Ca -0.05 1.24 -0.12 0.00 -0.36 0.00 0.00 55.97 56.68 1wpg s LYS 481 Cb -0.15 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 1wpg s LYS 481 CO 0.03 -0.55 0.14 0.93 -0.36 0.00 0.00 175.35 175.54 1wpg h GLU 482 N 7.45 0.00 -3.29 4.03 4.39 -0.89 -3.49 114.58 122.78 1wpg h GLU 482 Ca -0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1wpg h GLU 482 Cb 1.08 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.66 1wpg h GLU 482 CO 0.93 0.38 0.07 -0.59 -1.16 0.00 0.00 179.01 178.64 1wpg s PHE 483 N -2.03 0.00 0.05 4.33 -0.71 -1.20 -5.02 117.98 113.39 1wpg s PHE 483 Ca -0.13 -0.40 0.06 0.00 -1.04 0.00 0.00 56.93 55.42 1wpg s PHE 483 Cb 0.01 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1wpg s PHE 483 CO 0.31 -1.07 -0.17 -0.08 -1.34 0.00 0.00 175.22 172.86 1wpg s THR 484 N -3.94 1.39 -0.71 -4.49 -1.32 -1.26 -1.08 115.64 104.23 1wpg s THR 484 Ca 0.14 -1.12 -0.17 0.00 -1.21 0.00 0.00 61.69 59.33 1wpg s THR 484 Cb -0.03 -1.23 0.15 0.00 -1.51 0.00 0.00 72.50 69.88 1wpg s THR 484 CO 0.05 0.08 0.74 -0.76 -2.21 0.00 0.00 174.62 172.52 1wpg s LEU 485 N -1.21 6.00 0.55 9.08 1.43 0.76 -5.00 118.68 130.28 1wpg s LEU 485 Ca 0.04 -2.03 -0.20 0.00 -1.03 0.00 0.00 54.13 50.91 1wpg s LEU 485 Cb -0.08 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 1wpg s LEU 485 CO 0.02 -0.86 0.94 -1.84 0.23 0.00 0.00 176.35 174.83 1wpg n GLU 486 N 5.31 1.00 -1.76 1.70 0.00 -1.26 -2.52 120.64 123.11 1wpg n GLU 486 Ca 0.02 0.38 -0.41 0.00 0.00 0.00 0.00 57.16 57.14 1wpg n GLU 486 Cb 0.44 -2.09 -0.01 0.00 0.00 0.00 0.00 31.44 29.78 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 -1.37 2.87 -4.31 -1.84 -0.00 -1.26 -4.86 117.46 106.69 1wpg n PHE 487 Ca 0.12 0.40 -0.20 0.00 -0.00 0.00 0.00 57.45 57.77 1wpg n PHE 487 Cb 0.45 -2.54 -0.13 0.00 -0.00 0.00 0.00 39.48 37.26 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 1.82 0.43 -2.13 1.04 -1.24 -4.57 113.70 109.10 1wpg s SER 488 Ca 0.57 -0.54 0.13 0.00 0.48 0.00 0.00 55.95 56.59 1wpg s SER 488 Cb -0.49 -0.10 0.94 0.00 0.10 0.00 0.00 66.02 66.47 1wpg s SER 488 CO 0.59 0.01 1.97 0.03 0.98 0.00 0.00 173.24 176.82 1wpg h ARG 489 N 4.63 0.06 0.00 4.02 3.08 -1.95 0.23 114.38 124.46 1wpg h ARG 489 Ca -0.40 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 1wpg h ARG 489 Cb 1.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1wpg h ARG 489 CO 0.42 0.23 -0.34 0.38 -1.07 0.00 0.00 179.97 179.60 1wpg h ASP 490 N 0.06 0.00 0.00 7.04 3.04 -1.98 -3.32 116.42 121.26 1wpg h ASP 490 Ca 0.01 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.48 1wpg h ASP 490 Cb 0.34 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.57 1wpg h ASP 490 CO 0.02 0.34 -2.21 -1.14 -2.04 0.00 0.00 179.24 174.21 1wpg n ARG 491 N -3.39 1.04 -3.43 4.15 0.63 -1.04 -5.01 116.66 109.60 1wpg n ARG 491 Ca 0.01 0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.71 1wpg n ARG 491 Cb 0.53 -1.45 0.04 0.00 0.45 0.00 0.00 32.46 32.04 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 -2.74 -5.83 -3.96 -0.14 5.02 0.04 -4.84 118.16 105.71 1wpg n LYS 492 Ca -0.30 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 56.66 1wpg n LYS 492 Cb 1.04 -5.68 -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 -3.02 -0.11 0.06 4.39 1.04 -1.26 -0.76 113.70 114.04 1wpg s SER 493 Ca 0.48 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 1wpg s SER 493 Cb -0.23 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1wpg s SER 493 CO 0.60 -1.12 0.19 -0.32 0.98 0.00 0.00 173.24 173.57 1wpg s MET 494 N -3.99 0.76 0.17 4.02 0.00 0.43 -3.72 119.30 116.97 1wpg s MET 494 Ca 0.20 -0.78 -0.19 0.00 0.00 0.00 0.00 55.69 54.92 1wpg s MET 494 Cb -0.01 0.31 0.04 0.00 0.00 0.00 0.00 34.83 35.18 1wpg s MET 494 CO 0.07 -0.23 0.52 -1.54 0.00 0.00 0.00 175.02 173.84 1wpg s SER 495 N -2.44 -0.35 -0.01 1.11 1.04 -1.05 -1.07 113.70 110.94 1wpg s SER 495 Ca -0.01 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.15 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 -0.99 -0.09 0.68 0.98 0.00 0.00 173.24 173.75 1wpg s VAL 496 N -3.82 0.71 -0.29 5.02 -7.23 -0.43 -0.17 120.40 114.20 1wpg s VAL 496 Ca 0.05 -0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.68 1wpg s VAL 496 Cb -0.01 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 1wpg s VAL 496 CO -0.08 0.20 0.44 -0.47 -0.31 0.00 0.00 175.10 174.89 1wpg s TYR 497 N -0.16 3.24 0.17 2.82 6.14 -0.24 -1.26 117.35 128.05 1wpg s TYR 497 Ca 0.03 0.40 0.09 0.00 0.64 0.00 0.00 57.07 58.23 1wpg s TYR 497 Cb -0.04 -2.69 -0.04 0.00 0.42 0.00 0.00 41.96 39.61 1wpg s TYR 497 CO -0.00 -0.31 -0.18 0.00 0.64 0.00 0.00 175.55 175.69 1wpg s SER 499 N -2.75 1.70 0.70 0.00 1.04 -0.19 -0.30 113.70 113.90 1wpg s SER 499 Ca 0.17 -0.51 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 1wpg s SER 499 Cb -0.05 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1wpg s SER 499 CO 0.07 0.00 1.27 -2.16 0.98 0.00 0.00 173.24 173.41 1wpg s PRO 500 N -1.33 2.26 0.57 4.02 0.04 -1.26 -0.23 135.00 139.06 1wpg s PRO 500 Ca 0.01 1.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 1wpg s PRO 500 Cb -0.09 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1wpg s PRO 500 CO 0.02 -1.80 1.29 0.00 0.04 0.00 0.00 177.00 176.54 1wpg s ALA 501 N -1.60 2.69 -1.85 8.56 0.00 0.04 -4.68 121.76 124.91 1wpg s ALA 501 Ca 0.80 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1wpg s ALA 501 Cb -0.35 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1wpg s ALA 501 CO 0.43 -1.28 0.53 1.63 0.00 0.00 0.00 175.76 177.07 1wpg n LYS 502 N -1.26 0.00 0.00 0.00 4.76 -1.26 -1.96 118.16 118.44 1wpg n LYS 502 Ca 0.12 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1wpg n LYS 502 Cb 0.47 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.03 0.10 -4.77 4.39 3.41 -1.26 -5.08 113.62 109.38 1wpg n SER 503 Ca 0.00 -0.40 -0.35 0.00 -0.26 0.00 0.00 58.87 57.86 1wpg n SER 503 Cb 0.00 0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.34 5.58 0.00 4.04 1.04 -0.83 -4.92 113.70 118.27 1wpg s SER 504 Ca 0.00 2.20 0.19 0.00 0.48 0.00 0.00 55.95 58.83 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 -1.31 1.48 0.54 0.98 0.00 0.00 173.24 174.92 1wpg n ARG 505 N -1.43 1.88 -1.30 4.02 3.00 -1.26 -4.90 116.66 116.67 1wpg n ARG 505 Ca 0.12 -1.33 -0.33 0.00 -0.01 0.00 0.00 57.85 56.30 1wpg n ARG 505 Cb 0.51 -1.39 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 2.05 0.26 7.54 0.00 -1.26 -4.92 121.76 123.74 1wpg s ALA 506 Ca 0.32 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 1wpg s ALA 506 Cb 0.17 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1wpg s ALA 506 CO 0.25 -1.96 1.64 0.00 0.00 0.00 0.00 175.76 175.70 1wpg n ALA 507 N -3.10 2.61 -1.69 0.00 0.00 -1.26 -4.93 120.51 112.14 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 -2.48 0.06 0.00 0.00 0.00 0.00 19.45 17.54 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 2.86 4.47 0.00 0.00 0.31 -1.26 -4.91 118.33 119.80 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 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 1.06 3.69 3.74 2.92 0.00 -1.26 -5.11 105.19 110.22 1wpg n GLY 509 Ca 0.15 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 4.53 0.05 1.61 0.01 -1.26 -4.61 114.94 115.26 1wpg s ASN 510 Ca 0.00 2.18 0.02 0.00 -0.71 0.00 0.00 52.86 54.36 1wpg s ASN 510 Cb 0.00 -2.57 -0.03 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 0.00 177.10 172.94 1wpg s LYS 511 N -4.05 0.57 -0.15 -0.60 -0.14 0.59 -4.40 119.74 111.56 1wpg s LYS 511 Ca 0.70 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 54.50 1wpg s LYS 511 Cb -0.25 -0.30 0.00 0.00 -1.68 0.00 0.00 37.83 35.61 1wpg s LYS 511 CO 0.44 0.05 -0.17 -1.64 -0.76 0.00 0.00 175.35 173.27 1wpg s MET 512 N -1.84 3.15 -0.21 1.68 -1.94 -1.12 0.31 119.30 119.33 1wpg s MET 512 Ca -0.07 -0.78 -0.07 0.00 -1.71 0.00 0.00 55.69 53.05 1wpg s MET 512 Cb -0.08 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 1wpg s MET 512 CO -0.00 -0.01 0.06 -0.06 -0.01 0.00 0.00 175.02 175.00 1wpg s PHE 513 N 0.87 3.16 0.01 -0.03 0.08 -0.39 0.14 117.98 121.81 1wpg s PHE 513 Ca -0.05 -0.16 0.05 0.00 0.12 0.00 0.00 56.93 56.89 1wpg s PHE 513 Cb -0.15 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 1wpg s PHE 513 CO -0.02 -0.09 -0.12 0.08 -0.10 0.00 0.00 175.22 174.97 1wpg s VAL 514 N 0.94 3.21 -0.02 -0.44 1.01 0.44 -1.31 120.40 124.22 1wpg s VAL 514 Ca 0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1wpg s VAL 514 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1wpg s VAL 514 CO 0.03 0.40 0.04 -0.75 0.00 0.00 0.00 175.10 174.82 1wpg s LYS 515 N -1.31 0.02 0.00 2.72 2.20 -0.23 -0.55 119.74 122.58 1wpg s LYS 515 Ca 0.15 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1wpg s LYS 515 Cb -0.11 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1wpg s LYS 515 CO 0.05 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1wpg n GLY 516 N 3.53 -1.43 3.71 5.54 0.00 -0.95 -0.43 105.19 115.16 1wpg n GLY 516 Ca -0.18 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1wpg n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg n ALA 517 N 0.00 2.37 -0.33 4.61 0.00 0.06 -1.28 120.51 125.94 1wpg n ALA 517 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 1wpg n ALA 517 Cb 0.00 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 16.91 1wpg n ALA 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wpg h PRO 518 N 6.09 -0.11 -0.21 0.00 0.11 -1.90 -2.85 132.00 133.12 1wpg h PRO 518 Ca -0.44 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1wpg h PRO 518 Cb 1.22 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1wpg h PRO 518 CO 0.90 -0.08 -0.45 0.93 -0.21 0.00 0.00 178.00 179.10 1wpg h GLU 519 N -0.12 -0.44 -0.87 1.05 5.08 -1.99 0.11 114.58 117.40 1wpg h GLU 519 Ca 0.16 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1wpg h GLU 519 Cb 0.49 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1wpg h GLU 519 CO -0.84 -0.30 0.51 0.78 -1.00 0.00 0.00 179.01 178.17 1wpg h GLY 520 N -0.46 1.28 0.69 -3.84 0.00 -1.87 -0.75 103.07 98.12 1wpg h GLY 520 Ca 0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1wpg h GLY 520 CO -0.46 0.53 -0.07 -2.08 0.00 0.00 0.00 176.54 174.46 1wpg h VAL 521 N 1.21 1.34 -0.70 4.60 2.07 -1.24 -2.83 116.25 120.69 1wpg h VAL 521 Ca 0.31 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1wpg h VAL 521 Cb -0.02 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1wpg h VAL 521 CO -0.06 0.33 0.19 0.40 0.02 0.00 0.00 177.57 178.45 1wpg h ILE 522 N -0.14 1.26 -0.40 4.57 2.04 -0.94 -1.77 117.51 122.13 1wpg h ILE 522 Ca 0.02 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.02 1wpg h ILE 522 Cb 0.55 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1wpg h ILE 522 CO 0.02 0.36 0.28 0.44 0.00 0.00 0.00 178.15 179.24 1wpg h ASP 523 N 1.04 0.22 -0.46 1.72 3.45 -1.11 -0.30 116.42 120.98 1wpg h ASP 523 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1wpg h ASP 523 Cb 0.34 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1wpg h ASP 523 CO -0.00 0.14 0.00 0.54 -1.57 0.00 0.00 179.24 178.35 1wpg n ARG 524 N -4.47 2.51 -3.64 3.56 1.74 -0.69 -4.86 116.66 110.81 1wpg n ARG 524 Ca 0.05 -1.83 -0.37 0.00 -0.77 0.00 0.00 57.85 54.94 1wpg n ARG 524 Cb 0.30 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.46 30.10 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 4.28 0.83 -4.24 0.00 3.02 -0.49 -4.78 115.26 113.89 1wpg n ASN 526 Ca -0.14 -0.77 -0.14 0.00 -0.03 0.00 0.00 54.58 53.50 1wpg n ASN 526 Cb 0.52 1.13 -0.10 0.00 -0.61 0.00 0.00 39.78 40.72 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 -2.75 1.21 -0.02 3.10 2.02 -0.85 -0.83 117.35 119.23 1wpg s TYR 527 Ca 0.05 -0.91 0.03 0.00 -0.37 0.00 0.00 57.07 55.87 1wpg s TYR 527 Cb 0.13 -0.67 -0.00 0.00 -0.40 0.00 0.00 41.96 41.02 1wpg s TYR 527 CO 0.72 -0.09 -0.11 0.08 -1.57 0.00 0.00 175.55 174.58 1wpg s VAL 528 N -3.52 0.93 -0.01 0.71 1.01 0.55 -0.42 120.40 119.64 1wpg s VAL 528 Ca 0.20 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1wpg s VAL 528 Cb 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1wpg s VAL 528 CO 0.02 0.28 0.42 -0.60 0.00 0.00 0.00 175.10 175.21 1wpg s ARG 529 N 0.02 3.98 -0.29 2.72 3.52 0.02 -1.28 118.95 127.63 1wpg s ARG 529 Ca -0.01 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 55.99 1wpg s ARG 529 Cb -0.08 -3.25 0.10 0.00 -1.56 0.00 0.00 34.95 30.16 1wpg s ARG 529 CO 0.00 0.63 0.10 0.08 -0.81 0.00 0.00 175.30 175.30 1wpg s VAL 530 N -0.87 0.53 0.00 7.11 1.01 -0.56 -4.34 120.40 123.28 1wpg s VAL 530 Ca 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1wpg s VAL 530 Cb -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1wpg s VAL 530 CO 0.13 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1wpg n GLY 531 N 5.00 2.16 0.19 4.51 0.00 -1.26 -1.21 105.19 114.58 1wpg n GLY 531 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.41 2.61 -2.24 -1.26 -4.17 114.28 106.81 1wpg n THR 532 Ca 0.00 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 1wpg n THR 532 Cb 0.00 1.10 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.13 2.51 -0.01 4.28 -4.23 -0.35 -5.11 115.64 111.60 1wpg s THR 533 Ca 0.07 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1wpg s THR 533 Cb 0.06 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1wpg s THR 533 CO 0.19 -0.02 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.63 1wpg s ARG 534 N -5.02 0.28 0.14 3.99 3.52 -1.26 -1.49 118.95 119.11 1wpg s ARG 534 Ca 0.59 -0.07 0.03 0.00 -0.13 0.00 0.00 55.73 56.14 1wpg s ARG 534 Cb -0.11 -0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 1wpg s ARG 534 CO 0.42 0.02 -0.07 0.14 -0.81 0.00 0.00 175.30 175.00 1wpg s VAL 535 N 0.18 0.94 0.27 7.11 -7.23 -0.40 -4.96 120.40 116.31 1wpg s VAL 535 Ca -0.02 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 1wpg s VAL 535 Cb -0.04 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 1wpg s VAL 535 CO -0.00 -0.74 1.22 -2.16 -0.31 0.00 0.00 175.10 173.10 1wpg s PRO 536 N -3.80 4.48 -0.51 4.82 0.04 -1.26 -0.33 135.00 138.43 1wpg s PRO 536 Ca 0.16 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 1wpg s PRO 536 Cb 0.04 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.44 1wpg s PRO 536 CO -0.00 -0.04 1.40 1.41 0.04 0.00 0.00 177.00 179.81 1wpg s MET 537 N -1.20 3.40 0.44 4.56 1.75 -0.01 -4.72 119.30 123.53 1wpg s MET 537 Ca 0.49 0.60 0.04 0.00 -1.25 0.00 0.00 55.69 55.57 1wpg s MET 537 Cb -0.35 -4.08 0.01 0.00 2.84 0.00 0.00 34.83 33.24 1wpg s MET 537 CO 0.44 -1.80 0.63 0.95 -0.65 0.00 0.00 175.02 174.59 1wpg s THR 538 N 5.79 3.41 0.14 10.11 -4.23 -1.26 -4.88 115.64 124.72 1wpg s THR 538 Ca 0.55 -0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 60.09 1wpg s THR 538 Cb -0.11 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 1wpg s THR 538 CO 0.28 -0.12 1.74 1.23 -0.54 0.00 0.00 174.62 177.21 1wpg h GLY 539 N 0.48 0.31 0.97 3.99 0.00 -1.95 -0.43 103.07 106.44 1wpg h GLY 539 Ca -0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1wpg h GLY 539 CO 0.52 0.02 0.07 -2.55 0.00 0.00 0.00 176.54 174.59 1wpg h PRO 540 N 0.19 0.15 -0.64 4.80 0.11 -1.93 -1.31 132.00 133.37 1wpg h PRO 540 Ca 0.12 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.29 1wpg h PRO 540 Cb 0.10 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.12 1wpg h PRO 540 CO -0.13 0.14 0.32 0.28 -0.21 0.00 0.00 178.00 178.39 1wpg h VAL 541 N 0.12 0.88 -0.64 3.15 2.07 -1.58 -1.38 116.25 118.87 1wpg h VAL 541 Ca 0.04 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1wpg h VAL 541 Cb 0.03 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1wpg h VAL 541 CO -0.01 0.10 0.30 0.50 0.02 0.00 0.00 177.57 178.48 1wpg h LYS 542 N 0.57 0.91 -0.06 1.57 3.64 -0.74 -2.28 116.57 120.17 1wpg h LYS 542 Ca 0.31 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 1wpg h LYS 542 Cb 0.28 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1wpg h LYS 542 CO -0.23 0.71 -0.64 1.05 -2.27 0.00 0.00 179.45 178.06 1wpg h GLU 543 N 0.90 0.24 -0.13 1.90 -0.00 -0.23 -2.23 114.58 115.04 1wpg h GLU 543 Ca 0.22 -0.18 -0.01 0.00 -0.00 0.00 0.00 59.36 59.39 1wpg h GLU 543 Cb 0.11 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 1wpg h GLU 543 CO -0.03 0.80 0.05 -0.22 -0.00 0.00 0.00 179.01 179.61 1wpg h LYS 544 N 0.18 0.19 0.14 1.06 3.11 -0.93 0.16 116.57 120.47 1wpg h LYS 544 Ca -0.01 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1wpg h LYS 544 Cb 1.17 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1wpg h LYS 544 CO 0.10 0.31 -0.07 0.82 -2.81 0.00 0.00 179.45 177.80 1wpg h ILE 545 N 0.04 0.89 -0.11 2.00 1.08 -1.38 -1.19 117.51 118.83 1wpg h ILE 545 Ca 0.04 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1wpg h ILE 545 Cb 0.19 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1wpg h ILE 545 CO -0.00 0.02 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.38 1wpg h LEU 546 N -0.24 0.14 -0.29 1.44 3.38 -1.37 -1.15 115.31 117.23 1wpg h LEU 546 Ca -0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1wpg h LEU 546 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wpg h LEU 546 CO 0.03 0.20 -0.23 -1.28 0.09 0.00 0.00 178.44 177.26 1wpg h SER 547 N 0.15 0.70 -0.27 -0.43 0.87 -0.55 -0.09 113.55 113.94 1wpg h SER 547 Ca 0.04 -0.45 -0.06 0.00 -1.23 0.00 0.00 61.79 60.08 1wpg h SER 547 Cb 0.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1wpg h SER 547 CO 0.01 1.00 -0.08 0.58 -0.53 0.00 0.00 176.83 177.80 1wpg h VAL 548 N 0.40 1.29 -0.75 2.23 2.07 -0.79 -2.13 116.25 118.57 1wpg h VAL 548 Ca 0.05 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1wpg h VAL 548 Cb 0.78 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1wpg h VAL 548 CO 0.06 0.35 0.48 0.40 0.02 0.00 0.00 177.57 178.89 1wpg h ILE 549 N 0.28 1.13 -0.87 4.57 2.04 -1.20 -1.21 117.51 122.25 1wpg h ILE 549 Ca 0.07 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1wpg h ILE 549 Cb 0.57 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1wpg h ILE 549 CO 0.03 0.17 0.48 0.50 0.00 0.00 0.00 178.15 179.34 1wpg h LYS 550 N 0.95 1.21 -0.66 2.37 3.64 -0.88 -1.58 116.57 121.63 1wpg h LYS 550 Ca 0.30 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1wpg h LYS 550 Cb -0.02 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 1wpg h LYS 550 CO -0.10 0.88 0.17 0.93 -2.27 0.00 0.00 179.45 179.06 1wpg h GLU 551 N 1.21 1.03 0.00 1.90 5.08 -0.59 -1.98 114.58 121.23 1wpg h GLU 551 Ca 0.31 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1wpg h GLU 551 Cb 0.02 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1wpg h GLU 551 CO -0.05 0.91 -0.08 -1.49 -1.00 0.00 0.00 179.01 177.29 1wpg h TRP 552 N 0.99 0.00 -0.32 4.33 4.06 -0.31 -1.51 115.95 123.18 1wpg h TRP 552 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1wpg h TRP 552 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1wpg h TRP 552 CO 0.02 0.08 0.00 0.41 -3.56 0.00 0.00 178.44 175.39 1wpg n GLY 553 N -0.96 0.95 0.00 1.49 0.00 -0.75 -0.59 105.19 105.32 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 0.80 0.00 0.00 2.61 -2.24 -0.99 -4.44 114.28 110.01 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 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.77 0.00 3.38 0.00 -0.60 -4.58 105.19 102.61 1wpg n GLY 555 Ca 0.00 -1.24 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 0.89 -0.07 1.61 1.74 -1.26 -3.30 116.66 116.27 1wpg n ARG 556 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1wpg n ARG 556 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 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 -6.70 0.55 3.32 -1.84 -3.47 116.42 108.28 1wpg h ASP 557 Ca 0.00 -0.12 -0.54 0.00 0.02 0.00 0.00 57.03 56.39 1wpg h ASP 557 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1wpg h ASP 557 CO 0.00 0.83 -0.98 0.41 -1.72 0.00 0.00 179.24 177.77 1wpg n THR 558 N -4.62 -3.70 -3.86 0.35 -1.04 -1.10 -4.94 114.28 95.38 1wpg n THR 558 Ca -0.10 -0.72 -0.26 0.00 -2.04 0.00 0.00 64.05 60.94 1wpg n THR 558 Cb 0.29 -2.93 -0.03 0.00 -1.82 0.00 0.00 70.33 65.84 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 -7.12 4.30 -0.16 -4.42 1.43 0.24 -4.86 118.68 108.08 1wpg s LEU 559 Ca 0.44 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.54 1wpg s LEU 559 Cb -0.21 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1wpg s LEU 559 CO 0.93 0.01 0.82 -0.13 0.23 0.00 0.00 176.35 178.21 1wpg s ARG 560 N -3.33 4.31 -0.04 1.70 0.52 0.01 -4.22 118.95 117.89 1wpg s ARG 560 Ca 0.36 1.00 0.03 0.00 -0.52 0.00 0.00 55.73 56.59 1wpg s ARG 560 Cb -0.11 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1wpg s ARG 560 CO 0.29 -0.29 -0.11 0.00 0.02 0.00 0.00 175.30 175.21 1wpg s LEU 562 N -0.95 1.98 -0.11 0.00 1.02 -0.53 -4.50 118.68 115.59 1wpg s LEU 562 Ca 0.13 -0.39 -0.11 0.00 0.02 0.00 0.00 54.13 53.79 1wpg s LEU 562 Cb -0.11 -1.07 -0.05 0.00 0.02 0.00 0.00 46.19 44.99 1wpg s LEU 562 CO 0.03 0.20 0.23 0.00 0.02 0.00 0.00 176.35 176.83 1wpg s ALA 563 N -0.17 3.75 -0.06 4.21 0.00 -0.40 -1.84 121.76 127.24 1wpg s ALA 563 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1wpg s ALA 563 Cb -0.11 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1wpg s ALA 563 CO 0.01 0.41 -0.12 -0.51 0.00 0.00 0.00 175.76 175.55 1wpg s LEU 564 N -0.51 2.89 0.19 0.00 1.43 0.16 -2.24 118.68 120.61 1wpg s LEU 564 Ca 0.16 -0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 1wpg s LEU 564 Cb -0.13 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1wpg s LEU 564 CO 0.05 0.34 0.50 0.00 0.23 0.00 0.00 176.35 177.48 1wpg s ALA 565 N -0.71 -0.86 0.02 4.21 0.00 0.28 -1.17 121.76 123.53 1wpg s ALA 565 Ca 0.11 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1wpg s ALA 565 Cb -0.11 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1wpg s ALA 565 CO 0.01 -0.79 -0.05 0.95 0.00 0.00 0.00 175.76 175.88 1wpg s THR 566 N -3.88 0.36 -0.41 0.00 -4.23 -0.64 0.17 115.64 107.00 1wpg s THR 566 Ca 0.10 -0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 59.68 1wpg s THR 566 Cb -0.01 -0.41 0.02 0.00 1.34 0.00 0.00 72.50 73.44 1wpg s THR 566 CO -0.03 -0.28 0.36 -0.60 -0.54 0.00 0.00 174.62 173.54 1wpg s ARG 567 N -1.12 3.05 0.46 3.99 3.52 0.12 -0.01 118.95 128.97 1wpg s ARG 567 Ca -0.08 -0.88 0.14 0.00 -0.13 0.00 0.00 55.73 54.78 1wpg s ARG 567 Cb -0.07 -3.97 1.05 0.00 -1.56 0.00 0.00 34.95 30.40 1wpg s ARG 567 CO -0.00 -0.79 2.04 -0.44 -0.81 0.00 0.00 175.30 175.30 1wpg h ASP 568 N 8.67 0.05 -2.45 -2.12 3.45 -1.85 -2.96 116.42 119.21 1wpg h ASP 568 Ca -0.27 -0.01 -0.59 0.00 0.43 0.00 0.00 57.03 56.59 1wpg h ASP 568 Cb 1.12 -0.01 -0.39 0.00 -0.56 0.00 0.00 39.33 39.48 1wpg h ASP 568 CO 0.76 0.16 -0.88 0.41 -1.57 0.00 0.00 179.24 178.12 1wpg n THR 569 N -4.40 -0.17 -0.93 0.35 -1.04 -1.26 -4.84 114.28 101.99 1wpg n THR 569 Ca -0.02 -4.01 -0.31 0.00 -2.04 0.00 0.00 64.05 57.66 1wpg n THR 569 Cb 0.19 -1.87 0.14 0.00 -1.82 0.00 0.00 70.33 66.97 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 -0.74 1.52 1.19 -2.82 0.04 -1.25 -5.00 135.00 127.95 1wpg s PRO 570 Ca 0.32 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1wpg s PRO 570 Cb 0.05 -1.80 0.28 0.00 0.04 0.00 0.00 34.50 33.08 1wpg s PRO 570 CO -0.16 -2.24 1.04 -2.14 0.04 0.00 0.00 177.00 173.54 1wpg s PRO 571 N -4.73 -1.14 0.06 0.56 0.02 -1.26 -4.94 135.00 123.57 1wpg s PRO 571 Ca 0.65 0.41 -0.31 0.00 0.02 0.00 0.00 61.00 61.77 1wpg s PRO 571 Cb -0.21 -1.56 -0.06 0.00 0.02 0.00 0.00 34.50 32.69 1wpg s PRO 571 CO 0.57 -3.76 1.21 0.15 -0.33 0.00 0.00 177.00 174.83 1wpg s LYS 572 N -4.89 4.43 0.50 5.54 3.01 -1.26 -4.90 119.74 122.16 1wpg s LYS 572 Ca 0.68 1.78 0.28 0.00 -1.01 0.00 0.00 55.97 57.70 1wpg s LYS 572 Cb -0.18 -3.35 1.37 0.00 -1.01 0.00 0.00 37.83 34.66 1wpg s LYS 572 CO 0.60 -0.27 1.86 -0.09 0.51 0.00 0.00 175.35 177.96 1wpg h ARG 573 N 6.83 0.12 0.00 1.68 2.43 -1.96 0.25 114.38 123.72 1wpg h ARG 573 Ca -0.41 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 1wpg h ARG 573 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1wpg h ARG 573 CO 0.82 0.08 -0.32 0.93 -1.51 0.00 0.00 179.97 179.96 1wpg h GLU 574 N 0.12 0.00 -0.86 0.20 3.07 -2.03 -2.84 114.58 112.24 1wpg h GLU 574 Ca 0.46 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.11 1wpg h GLU 574 Cb 1.63 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.42 1wpg h GLU 574 CO -0.07 0.32 0.27 0.39 -1.40 0.00 0.00 179.01 178.52 1wpg n GLU 575 N -4.05 2.79 -4.95 2.33 -0.58 0.86 -4.88 120.64 112.16 1wpg n GLU 575 Ca -0.02 -2.26 -0.30 0.00 -0.42 0.00 0.00 57.16 54.16 1wpg n GLU 575 Cb 0.37 -1.96 -0.17 0.00 -0.57 0.00 0.00 31.44 29.12 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 -2.36 2.67 -0.49 3.49 -1.94 -1.07 -4.90 119.30 114.69 1wpg s MET 576 Ca 0.41 -0.74 -0.17 0.00 -1.71 0.00 0.00 55.69 53.48 1wpg s MET 576 Cb 0.33 -2.08 0.07 0.00 2.01 0.00 0.00 34.83 35.17 1wpg s MET 576 CO 0.10 0.10 0.47 0.08 -0.01 0.00 0.00 175.02 175.76 1wpg s VAL 577 N 0.52 5.13 -2.02 -6.03 1.01 -1.26 -4.93 120.40 112.81 1wpg s VAL 577 Ca -0.16 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1wpg s VAL 577 Cb -0.17 -4.19 0.19 0.00 0.00 0.00 0.00 36.38 32.22 1wpg s VAL 577 CO 0.06 -0.66 1.19 0.18 0.00 0.00 0.00 175.10 175.87 1wpg n LEU 578 N 5.50 0.85 -0.05 3.92 4.77 -1.26 -3.61 117.00 127.11 1wpg n LEU 578 Ca -0.11 -0.42 0.09 0.00 -0.03 0.00 0.00 56.01 55.55 1wpg n LEU 578 Cb 0.44 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1wpg n LEU 578 CO 0.49 0.21 -0.01 -0.90 -1.33 0.00 0.00 177.39 175.86 1wpg n ASP 579 N -0.06 1.01 -3.90 -1.43 5.68 -1.26 -4.81 116.55 111.78 1wpg n ASP 579 Ca 0.07 -1.01 -0.30 0.00 -0.50 0.00 0.00 54.79 53.05 1wpg n ASP 579 Cb 0.14 0.94 -0.15 0.00 -1.14 0.00 0.00 41.12 40.91 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 -2.72 4.41 0.19 -1.12 -1.08 -1.24 -4.97 116.67 110.14 1wpg s ASP 580 Ca 0.08 -2.13 0.14 0.00 -0.52 0.00 0.00 52.55 50.12 1wpg s ASP 580 Cb 0.14 -1.35 0.73 0.00 -1.46 0.00 0.00 42.92 40.98 1wpg s ASP 580 CO 0.74 -0.37 1.43 -1.54 0.52 0.00 0.00 175.17 175.96 1wpg n SER 581 N 4.25 0.35 0.00 -0.34 3.41 -1.26 -1.66 113.62 118.37 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 0.42 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.96 0.00 -0.01 4.04 3.41 -1.26 -2.33 113.62 115.51 1wpg n SER 582 Ca -0.00 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.96 1wpg n SER 582 Cb 0.05 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.39 0.59 -0.24 4.33 1.74 -0.66 -4.52 116.66 116.51 1wpg n ARG 583 Ca 0.07 -0.15 0.18 0.00 -0.77 0.00 0.00 57.85 57.18 1wpg n ARG 583 Cb 0.18 -1.47 0.50 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.56 -0.77 -1.55 0.05 -1.61 -1.27 116.94 112.35 1wpg h PHE 584 Ca 0.00 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.83 1wpg h PHE 584 Cb 0.83 -0.17 -0.04 0.00 2.00 0.00 0.00 35.95 38.56 1wpg h PHE 584 CO 0.00 0.16 0.50 1.98 -0.18 0.00 0.00 178.31 180.76 1wpg h MET 585 N 0.43 0.95 -0.55 1.51 4.05 -1.79 -1.61 114.93 117.92 1wpg h MET 585 Ca 0.46 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.74 1wpg h MET 585 Cb 1.10 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 1wpg h MET 585 CO -0.18 0.63 0.03 1.49 0.23 0.00 0.00 176.91 179.11 1wpg h GLU 586 N 0.98 0.92 0.00 0.39 4.57 -1.54 -2.49 114.58 117.41 1wpg h GLU 586 Ca 0.30 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1wpg h GLU 586 Cb -0.02 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1wpg h GLU 586 CO -0.10 0.90 -0.31 1.88 -1.18 0.00 0.00 179.01 180.20 1wpg h TYR 587 N 0.86 0.00 -1.78 0.92 0.05 -1.20 -3.11 116.97 112.70 1wpg h TYR 587 Ca 0.16 0.00 -0.78 0.00 0.05 0.00 0.00 58.73 58.16 1wpg h TYR 587 Cb 0.47 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.00 1wpg h TYR 587 CO 0.03 0.31 1.62 0.39 -1.05 0.00 0.00 178.16 179.47 1wpg n GLU 588 N -4.16 5.10 -4.39 4.88 1.02 -0.67 -4.85 120.64 117.57 1wpg n GLU 588 Ca -0.02 -4.16 -0.19 0.00 -0.02 0.00 0.00 57.16 52.77 1wpg n GLU 588 Cb 0.36 -2.54 -0.10 0.00 -0.02 0.00 0.00 31.44 29.14 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 -3.00 1.33 -1.43 2.62 2.01 -1.18 -4.79 115.64 111.21 1wpg s THR 589 Ca 0.45 -2.07 -0.09 0.00 0.31 0.00 0.00 61.69 60.30 1wpg s THR 589 Cb 0.19 -2.44 0.05 0.00 0.01 0.00 0.00 72.50 70.30 1wpg s THR 589 CO -0.12 -0.28 0.95 -0.67 -0.69 0.00 0.00 174.62 173.81 1wpg n ASP 590 N -0.52 -3.97 -4.91 3.53 2.03 -1.10 -4.94 116.55 106.67 1wpg n ASP 590 Ca -0.05 -0.74 -0.28 0.00 0.52 0.00 0.00 54.79 54.24 1wpg n ASP 590 Cb 0.64 -4.19 0.08 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 -7.08 2.68 -0.19 -2.67 1.43 -0.77 -4.59 118.68 107.48 1wpg s LEU 591 Ca 0.44 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1wpg s LEU 591 Cb -0.22 -3.27 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1wpg s LEU 591 CO 0.80 -1.71 -0.17 -0.89 0.23 0.00 0.00 176.35 174.61 1wpg s THR 592 N -3.41 1.99 0.17 5.49 2.01 0.99 -1.39 115.64 121.49 1wpg s THR 592 Ca 0.61 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1wpg s THR 592 Cb -0.11 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.43 1wpg s THR 592 CO 0.47 0.38 1.26 0.12 -0.69 0.00 0.00 174.62 176.16 1wpg s PHE 593 N 1.28 3.34 -0.10 4.92 2.19 0.44 -1.62 117.98 128.43 1wpg s PHE 593 Ca 0.02 1.28 -0.04 0.00 0.33 0.00 0.00 56.93 58.52 1wpg s PHE 593 Cb -0.15 -3.52 -0.05 0.00 -1.31 0.00 0.00 43.02 37.99 1wpg s PHE 593 CO -0.11 -1.59 -0.12 0.28 1.83 0.00 0.00 175.22 175.51 1wpg n VAL 594 N 2.85 0.58 -3.97 3.12 0.31 -0.32 -0.80 118.33 120.09 1wpg n VAL 594 Ca 0.06 -0.17 0.02 0.00 -0.01 0.00 0.00 64.34 64.25 1wpg n VAL 594 Cb 0.44 -1.43 0.01 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 2.52 0.33 3.04 2.92 0.00 -1.06 -4.21 105.19 108.74 1wpg n GLY 595 Ca -0.20 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.04 0.60 0.03 1.61 1.01 -0.62 0.39 120.40 121.38 1wpg s VAL 596 Ca 0.17 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1wpg s VAL 596 Cb -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1wpg s VAL 596 CO -0.01 -0.15 -0.20 0.68 0.00 0.00 0.00 175.10 175.42 1wpg s VAL 597 N -0.88 1.64 -0.09 2.92 -7.23 -0.77 -1.57 120.40 114.43 1wpg s VAL 597 Ca -0.04 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1wpg s VAL 597 Cb -0.07 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1wpg s VAL 597 CO 0.00 0.25 -0.14 -0.83 -0.31 0.00 0.00 175.10 174.07 1wpg s GLY 598 N -1.04 0.93 0.23 2.32 0.00 0.40 -1.46 107.32 108.70 1wpg s GLY 598 Ca 0.07 -0.58 0.07 0.00 0.00 0.00 0.00 44.72 44.28 1wpg s GLY 598 CO 0.01 0.16 -0.11 -3.16 0.00 0.00 0.00 173.10 170.00 1wpg s MET 599 N 0.81 1.38 0.16 2.90 0.23 -0.08 -1.51 119.30 123.20 1wpg s MET 599 Ca -0.11 -1.65 -0.19 0.00 -1.03 0.00 0.00 55.69 52.71 1wpg s MET 599 Cb -0.16 -1.08 0.04 0.00 -1.53 0.00 0.00 34.83 32.11 1wpg s MET 599 CO 0.02 0.12 0.52 -0.48 -2.03 0.00 0.00 175.02 173.17 1wpg s LEU 600 N -3.35 -0.06 -0.64 0.18 2.34 -0.50 -0.81 118.68 115.83 1wpg s LEU 600 Ca 0.25 -0.27 -0.22 0.00 0.06 0.00 0.00 54.13 53.95 1wpg s LEU 600 Cb 0.01 2.23 0.08 0.00 -0.56 0.00 0.00 46.19 47.95 1wpg s LEU 600 CO 0.08 -0.97 0.90 -0.62 -1.06 0.00 0.00 176.35 174.68 1wpg s ASP 601 N -2.81 6.18 0.40 1.48 2.15 -1.26 -1.12 116.67 121.69 1wpg s ASP 601 Ca 0.04 -1.12 -0.24 0.00 0.43 0.00 0.00 52.55 51.67 1wpg s ASP 601 Cb -0.00 -2.39 -0.09 0.00 -0.30 0.00 0.00 42.92 40.14 1wpg s ASP 601 CO -0.09 -1.36 1.05 -2.16 -0.17 0.00 0.00 175.17 172.44 1wpg s PRO 602 N 3.70 4.15 0.59 4.34 0.04 -1.26 -4.81 135.00 141.74 1wpg s PRO 602 Ca 0.19 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1wpg s PRO 602 Cb -0.19 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1wpg s PRO 602 CO 0.09 -0.15 1.14 -1.25 0.04 0.00 0.00 177.00 176.87 1wpg s PRO 603 N -2.55 3.10 0.59 0.56 0.04 -1.26 -1.00 135.00 134.49 1wpg s PRO 603 Ca 0.58 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 1wpg s PRO 603 Cb -0.21 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1wpg s PRO 603 CO 0.27 -1.05 1.16 1.03 0.04 0.00 0.00 177.00 178.44 1wpg s ARG 604 N -3.50 3.03 0.17 4.56 0.52 -0.12 -4.70 118.95 118.92 1wpg s ARG 604 Ca 0.72 1.66 -0.14 0.00 -0.52 0.00 0.00 55.73 57.46 1wpg s ARG 604 Cb -0.25 -1.96 0.13 0.00 0.52 0.00 0.00 34.95 33.40 1wpg s ARG 604 CO 0.32 -1.12 1.76 0.87 0.02 0.00 0.00 175.30 177.16 1wpg h LYS 605 N 0.77 0.38 0.00 3.54 1.57 -1.94 -2.98 116.57 117.91 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 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1wpg h LYS 605 CO 0.55 0.25 0.00 1.05 -0.57 0.00 0.00 179.45 180.73 1wpg h GLU 606 N 0.39 0.00 -0.75 3.15 9.09 -1.98 -3.38 114.58 121.10 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 0.18 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 27.15 1wpg h GLU 606 CO -0.19 0.00 -0.40 0.28 0.05 0.00 0.00 179.01 178.75 1wpg h VAL 607 N 0.00 0.08 -0.30 -1.06 2.07 -1.87 -1.43 116.25 113.74 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 0.67 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1wpg h VAL 607 CO 0.00 0.00 0.06 -0.03 0.02 0.00 0.00 177.57 177.62 1wpg h MET 608 N -0.12 0.17 -0.57 1.57 1.85 -1.75 -0.77 114.93 115.31 1wpg h MET 608 Ca 0.25 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.34 1wpg h MET 608 Cb 0.56 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.52 1wpg h MET 608 CO -0.80 0.11 0.37 0.78 -0.40 0.00 0.00 176.91 176.96 1wpg h GLY 609 N 0.17 0.81 1.36 1.39 0.00 -1.67 -2.31 103.07 102.81 1wpg h GLY 609 Ca 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1wpg h GLY 609 CO -0.18 0.27 0.37 1.76 0.00 0.00 0.00 176.54 178.76 1wpg h SER 610 N 0.74 0.75 -0.54 0.19 0.02 -0.77 -1.99 113.55 111.96 1wpg h SER 610 Ca 0.22 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1wpg h SER 610 Cb -0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1wpg h SER 610 CO -0.07 0.59 0.09 0.40 -1.14 0.00 0.00 176.83 176.70 1wpg h ILE 611 N 0.87 1.25 -0.34 3.27 1.08 -0.62 -2.13 117.51 120.88 1wpg h ILE 611 Ca 0.23 -0.96 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1wpg h ILE 611 Cb -0.02 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1wpg h ILE 611 CO -0.04 0.35 0.15 -0.61 -0.69 0.00 0.00 178.15 177.31 1wpg h GLN 612 N 0.88 0.51 -0.93 2.37 5.75 -0.99 -1.56 115.11 121.14 1wpg h GLN 612 Ca 0.18 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1wpg h GLN 612 Cb 0.40 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 1wpg h GLN 612 CO 0.01 0.49 0.61 -0.07 -2.65 0.00 0.00 178.83 177.22 1wpg h LEU 613 N 0.41 1.06 -0.64 -2.39 3.38 -1.20 0.76 115.31 116.69 1wpg h LEU 613 Ca 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wpg h LEU 613 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1wpg h LEU 613 CO -0.01 0.76 0.33 0.00 0.09 0.00 0.00 178.44 179.61 1wpg h ARG 615 N 0.87 1.13 -0.14 0.00 2.43 -0.36 0.23 114.38 118.54 1wpg h ARG 615 Ca 0.22 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1wpg h ARG 615 Cb 0.07 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1wpg h ARG 615 CO -0.03 0.83 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.75 1wpg h ASP 616 N 1.13 0.19 -0.33 -3.80 3.32 -0.33 -0.76 116.42 115.85 1wpg h ASP 616 Ca 0.29 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1wpg h ASP 616 Cb 0.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1wpg h ASP 616 CO -0.05 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 1wpg n ALA 617 N -2.50 2.62 -1.87 3.45 0.00 -0.49 -4.55 120.51 117.18 1wpg n ALA 617 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1wpg n ALA 617 Cb 0.21 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 0.87 0.41 3.50 0.00 0.00 -0.29 -3.89 105.19 105.78 1wpg n GLY 618 Ca 0.12 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.48 4.07 0.29 -0.61 1.01 0.71 -4.64 121.20 119.55 1wpg s ILE 619 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1wpg s ILE 619 Cb 0.00 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.58 1wpg s ILE 619 CO 0.00 0.46 0.63 -0.60 0.00 0.00 0.00 174.94 175.43 1wpg s ARG 620 N 0.65 3.82 -0.14 2.79 3.52 -0.18 -3.44 118.95 125.97 1wpg s ARG 620 Ca -0.00 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 1wpg s ARG 620 Cb -0.14 -2.55 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1wpg s ARG 620 CO 0.02 0.20 -0.18 0.08 -0.81 0.00 0.00 175.30 174.61 1wpg s VAL 621 N -1.99 1.81 -0.13 7.11 1.01 -1.26 0.11 120.40 127.07 1wpg s VAL 621 Ca 0.49 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1wpg s VAL 621 Cb -0.11 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1wpg s VAL 621 CO 0.23 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 175.02 1wpg s ILE 622 N 1.04 2.49 -0.13 2.22 1.01 -0.06 -4.87 121.20 122.90 1wpg s ILE 622 Ca -0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.55 1wpg s ILE 622 Cb -0.15 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1wpg s ILE 622 CO -0.05 0.54 0.65 -0.32 0.00 0.00 0.00 174.94 175.76 1wpg s MET 623 N 0.53 4.33 -0.24 2.79 -2.45 0.66 0.52 119.30 125.44 1wpg s MET 623 Ca -0.12 0.73 0.01 0.00 -1.25 0.00 0.00 55.69 55.06 1wpg s MET 623 Cb -0.16 -3.50 0.07 0.00 1.25 0.00 0.00 34.83 32.48 1wpg s MET 623 CO 0.04 -0.06 -0.03 0.42 1.05 0.00 0.00 175.02 176.44 1wpg s ILE 624 N 1.27 1.45 0.05 10.11 1.01 0.96 -0.22 121.20 135.85 1wpg s ILE 624 Ca 0.33 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1wpg s ILE 624 Cb -0.16 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1wpg s ILE 624 CO 0.14 -0.18 -0.10 0.28 0.00 0.00 0.00 174.94 175.07 1wpg s THR 625 N 1.41 0.76 -1.18 2.92 -1.32 0.11 -4.01 115.64 114.33 1wpg s THR 625 Ca -0.03 -1.13 0.29 0.00 -1.21 0.00 0.00 61.69 59.61 1wpg s THR 625 Cb -0.19 -0.78 0.33 0.00 -1.51 0.00 0.00 72.50 70.36 1wpg s THR 625 CO -0.08 -0.30 1.93 0.61 -2.21 0.00 0.00 174.62 174.58 1wpg n GLY 626 N 1.45 -1.38 3.72 6.08 0.00 -1.25 -2.26 105.19 111.56 1wpg n GLY 626 Ca -0.22 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.83 2.46 0.64 1.61 -1.08 -1.26 -3.92 116.67 112.29 1wpg s ASP 627 Ca 0.19 0.80 -0.14 0.00 -0.52 0.00 0.00 52.55 52.89 1wpg s ASP 627 Cb 0.19 -1.22 -0.01 0.00 -1.46 0.00 0.00 42.92 40.42 1wpg s ASP 627 CO 0.52 -3.19 1.07 0.20 0.52 0.00 0.00 175.17 174.29 1wpg s ASN 628 N -3.99 5.43 0.15 -0.34 0.01 -1.26 -0.51 114.94 114.43 1wpg s ASN 628 Ca 0.68 1.83 -0.16 0.00 -0.71 0.00 0.00 52.86 54.50 1wpg s ASN 628 Cb -0.12 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.04 1wpg s ASN 628 CO 0.55 -1.41 1.77 0.50 -1.51 0.00 0.00 177.10 177.00 1wpg h LYS 629 N 0.00 0.34 -0.14 -0.60 3.64 -1.95 -1.17 116.57 116.70 1wpg h LYS 629 Ca -0.46 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1wpg h LYS 629 Cb 1.23 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1wpg h LYS 629 CO 0.56 0.23 -0.39 0.78 -2.27 0.00 0.00 179.45 178.35 1wpg h GLY 630 N 0.36 -0.62 2.00 5.01 0.00 -2.00 0.05 103.07 107.86 1wpg h GLY 630 Ca 0.15 0.49 -0.11 0.00 0.00 0.00 0.00 47.33 47.86 1wpg h GLY 630 CO -0.11 -0.22 -0.52 -0.91 0.00 0.00 0.00 176.54 174.78 1wpg h THR 631 N -0.46 1.07 -0.57 4.70 1.35 -1.87 -2.40 112.91 114.73 1wpg h THR 631 Ca 0.08 -1.99 -0.02 0.00 -0.55 0.00 0.00 66.41 63.94 1wpg h THR 631 Cb 0.61 2.17 -0.03 0.00 -1.73 0.00 0.00 68.15 69.17 1wpg h THR 631 CO -0.39 0.51 0.29 0.00 -0.25 0.00 0.00 175.52 175.67 1wpg h ALA 632 N 1.48 0.74 -0.25 6.62 0.00 -0.57 -1.26 119.26 126.02 1wpg h ALA 632 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1wpg h ALA 632 Cb 1.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1wpg h ALA 632 CO 0.07 0.28 -0.06 0.82 0.00 0.00 0.00 179.25 180.36 1wpg h ILE 633 N 0.77 1.28 -0.85 0.00 2.04 -0.90 -1.67 117.51 118.20 1wpg h ILE 633 Ca 0.20 -1.07 0.09 0.00 1.00 0.00 0.00 64.86 65.08 1wpg h ILE 633 Cb 0.09 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1wpg h ILE 633 CO -0.03 0.34 0.55 0.00 0.00 0.00 0.00 178.15 179.01 1wpg h ALA 634 N 0.76 1.67 -0.15 1.87 0.00 -1.18 0.39 119.26 122.63 1wpg h ALA 634 Ca 0.06 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1wpg h ALA 634 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wpg h ALA 634 CO 0.03 0.16 -0.70 0.82 0.00 0.00 0.00 179.25 179.56 1wpg h ILE 635 N 0.84 1.32 -0.79 0.00 1.08 -1.15 -1.90 117.51 116.91 1wpg h ILE 635 Ca 0.39 -1.98 0.02 0.00 -0.39 0.00 0.00 64.86 62.90 1wpg h ILE 635 Cb 0.39 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 36.05 1wpg h ILE 635 CO -0.16 0.61 0.52 0.00 -0.69 0.00 0.00 178.15 178.44 1wpg h ARG 637 N 1.03 0.65 -0.26 0.00 3.08 -0.85 0.35 114.38 118.39 1wpg h ARG 637 Ca 0.30 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1wpg h ARG 637 Cb -0.06 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1wpg h ARG 637 CO -0.07 1.02 0.03 0.00 -1.07 0.00 0.00 179.97 179.87 1wpg h ARG 638 N 0.35 0.38 -0.36 0.04 3.08 -0.69 -2.97 114.38 114.21 1wpg h ARG 638 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1wpg h ARG 638 Cb 0.97 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1wpg h ARG 638 CO 0.09 0.39 0.00 0.44 -1.07 0.00 0.00 179.97 179.81 1wpg n ILE 639 N -4.35 0.46 -0.68 2.04 -5.35 -0.28 -4.90 119.36 106.29 1wpg n ILE 639 Ca 0.01 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1wpg n ILE 639 Cb 0.19 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 1.46 0.63 0.08 3.28 0.00 -0.94 -4.29 105.19 105.40 1wpg n GLY 640 Ca 0.19 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 1.53 -3.90 -0.61 2.04 -1.21 -3.45 117.51 111.91 1wpg h ILE 641 Ca 0.00 -3.19 -0.55 0.00 1.00 0.00 0.00 64.86 62.12 1wpg h ILE 641 Cb 0.00 2.84 -0.22 0.00 -0.74 0.00 0.00 36.82 38.71 1wpg h ILE 641 CO 0.00 0.90 -0.82 -0.36 0.00 0.00 0.00 178.15 177.87 1wpg s PHE 642 N -2.67 1.75 0.62 1.37 2.99 -0.91 -4.99 117.98 116.13 1wpg s PHE 642 Ca -0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 56.93 56.34 1wpg s PHE 642 Cb 0.09 -0.95 -0.02 0.00 0.00 0.00 0.00 43.02 42.13 1wpg s PHE 642 CO 0.85 0.20 1.06 0.20 -0.00 0.00 0.00 175.22 177.52 1wpg s GLY 643 N -1.94 1.97 0.31 4.36 0.00 -1.26 -4.22 107.32 106.54 1wpg s GLY 643 Ca 0.06 0.28 0.07 0.00 0.00 0.00 0.00 44.72 45.14 1wpg s GLY 643 CO 0.04 0.60 1.73 0.83 0.00 0.00 0.00 173.10 176.30 1wpg h GLU 644 N 0.08 0.54 0.00 2.90 4.39 -1.97 -2.49 114.58 118.02 1wpg h GLU 644 Ca -0.46 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.16 1wpg h GLU 644 Cb 1.22 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.64 1wpg h GLU 644 CO 0.57 0.36 -0.61 0.09 -1.16 0.00 0.00 179.01 178.26 1wpg n ASN 645 N -4.91 1.51 -4.80 1.42 3.02 -1.26 -5.07 115.26 105.17 1wpg n ASN 645 Ca 0.25 -3.28 -0.34 0.00 -0.03 0.00 0.00 54.58 51.18 1wpg n ASN 645 Cb 0.69 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.25 3.68 -0.21 3.52 2.12 -0.94 -5.01 118.70 119.61 1wpg s GLU 646 Ca 0.35 1.29 -0.18 0.00 0.36 0.00 0.00 54.97 56.79 1wpg s GLU 646 Cb 0.36 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 1wpg s GLU 646 CO -0.09 -0.52 0.51 -2.00 -0.54 0.00 0.00 175.26 172.62 1wpg s GLU 647 N -3.51 4.18 -0.06 4.30 2.56 -1.26 -4.90 118.70 120.01 1wpg s GLU 647 Ca 0.66 0.39 0.09 0.00 0.00 0.00 0.00 54.97 56.11 1wpg s GLU 647 Cb -0.16 -3.57 0.18 0.00 2.00 0.00 0.00 34.13 32.59 1wpg s GLU 647 CO 0.25 -0.16 1.12 1.33 -0.56 0.00 0.00 175.26 177.24 1wpg n VAL 648 N 4.60 1.42 -0.35 3.70 0.24 -1.26 -4.75 118.33 121.93 1wpg n VAL 648 Ca -0.05 -1.51 0.23 0.00 -2.04 0.00 0.00 64.34 60.97 1wpg n VAL 648 Cb 0.50 0.18 0.47 0.00 -1.47 0.00 0.00 33.84 33.53 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 0.41 2.02 -0.25 2.33 0.00 -1.93 0.10 119.26 121.95 1wpg h ALA 649 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1wpg h ALA 649 Cb 0.78 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1wpg h ALA 649 CO 0.02 -0.57 -0.01 -0.40 0.00 0.00 0.00 179.25 178.29 1wpg n ASP 650 N -4.92 3.49 0.00 0.00 5.75 -1.26 -4.48 116.55 115.14 1wpg n ASP 650 Ca 0.30 -3.16 0.00 0.00 -0.01 0.00 0.00 54.79 51.92 1wpg n ASP 650 Cb 0.95 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.72 -0.34 -3.75 0.11 1.74 0.30 -4.49 116.66 109.52 1wpg n ARG 651 Ca 0.23 -0.45 -0.16 0.00 -0.77 0.00 0.00 57.85 56.71 1wpg n ARG 651 Cb 0.90 -0.84 -0.16 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.09 0.04 0.06 7.54 0.00 -0.88 -0.82 121.76 127.61 1wpg s ALA 652 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1wpg s ALA 652 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1wpg s ALA 652 CO 0.00 -0.20 -0.06 0.71 0.00 0.00 0.00 175.76 176.21 1wpg s TYR 653 N 1.32 0.67 0.59 0.00 2.02 0.07 -4.88 117.35 117.14 1wpg s TYR 653 Ca -0.06 -0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 55.88 1wpg s TYR 653 Cb -0.13 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 1wpg s TYR 653 CO -0.04 -0.15 0.89 0.95 -1.57 0.00 0.00 175.55 175.64 1wpg s THR 654 N -2.40 3.65 0.30 -0.71 -4.23 -1.26 -0.15 115.64 110.84 1wpg s THR 654 Ca -0.02 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1wpg s THR 654 Cb -0.03 -3.45 0.26 0.00 1.34 0.00 0.00 72.50 70.62 1wpg s THR 654 CO -0.03 -0.46 1.97 1.23 -0.54 0.00 0.00 174.62 176.80 1wpg h GLY 655 N -0.16 1.17 0.82 3.99 0.00 -0.77 -1.71 103.07 106.41 1wpg h GLY 655 Ca -0.45 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 1wpg h GLY 655 CO 0.60 0.42 -0.03 3.21 0.00 0.00 0.00 176.54 180.75 1wpg h ARG 656 N 1.12 0.40 -0.98 4.80 2.47 -1.85 -0.59 114.38 119.77 1wpg h ARG 656 Ca 0.30 -0.14 0.11 0.00 -1.26 0.00 0.00 59.98 58.99 1wpg h ARG 656 Cb -0.12 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.09 1wpg h ARG 656 CO -0.07 0.62 0.61 0.93 0.56 0.00 0.00 179.97 182.62 1wpg h GLU 657 N 0.15 0.97 -0.41 0.04 5.08 -1.87 0.64 114.58 119.17 1wpg h GLU 657 Ca 0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1wpg h GLU 657 Cb 0.46 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1wpg h GLU 657 CO 0.02 0.64 0.06 0.35 -1.00 0.00 0.00 179.01 179.08 1wpg h PHE 658 N 1.00 0.72 -0.24 4.33 3.04 -1.05 -2.80 116.94 121.94 1wpg h PHE 658 Ca 0.47 -0.10 -0.03 0.00 3.98 0.00 0.00 57.97 62.29 1wpg h PHE 658 Cb 0.41 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1wpg h PHE 658 CO -0.01 0.70 0.03 -0.44 -2.02 0.00 0.00 178.31 176.57 1wpg h ASP 659 N 0.52 0.31 1.02 0.41 3.32 0.20 -2.62 116.42 119.59 1wpg h ASP 659 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1wpg h ASP 659 Cb 0.37 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1wpg h ASP 659 CO 0.01 0.35 -0.25 0.44 -1.72 0.00 0.00 179.24 178.06 1wpg h ASP 660 N 0.34 0.00 -4.01 6.45 3.32 -0.67 -3.45 116.42 118.40 1wpg h ASP 660 Ca 0.08 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.59 1wpg h ASP 660 Cb 0.18 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.86 1wpg h ASP 660 CO 0.00 0.25 0.66 -0.76 -1.72 0.00 0.00 179.24 177.67 1wpg s LEU 661 N -6.73 4.01 0.37 1.55 1.43 -0.99 -4.90 118.68 113.42 1wpg s LEU 661 Ca 0.01 2.84 -0.28 0.00 -1.03 0.00 0.00 54.13 55.67 1wpg s LEU 661 Cb 0.10 -4.07 -0.11 0.00 0.03 0.00 0.00 46.19 42.14 1wpg s LEU 661 CO 0.65 -1.31 1.49 -2.16 0.23 0.00 0.00 176.35 175.24 1wpg s PRO 662 N -2.63 4.12 0.42 1.29 0.04 -1.26 -4.68 135.00 132.30 1wpg s PRO 662 Ca 0.65 2.56 0.37 0.00 0.04 0.00 0.00 61.00 64.62 1wpg s PRO 662 Cb -0.42 -2.98 1.32 0.00 0.04 0.00 0.00 34.50 32.46 1wpg s PRO 662 CO 0.52 -0.53 1.22 -0.11 0.04 0.00 0.00 177.00 178.14 1wpg n LEU 663 N 0.58 0.03 0.04 -3.56 7.94 -1.26 -0.38 117.00 120.39 1wpg n LEU 663 Ca 0.01 0.84 -0.11 0.00 -1.11 0.00 0.00 56.01 55.64 1wpg n LEU 663 Cb 0.39 -0.42 -0.08 0.00 0.53 0.00 0.00 43.42 43.85 1wpg n LEU 663 CO 0.63 -0.86 0.39 0.00 -1.11 0.00 0.00 177.39 176.45 1wpg h ALA 664 N 0.87 -0.19 0.00 1.96 0.00 -2.02 -3.32 119.26 116.56 1wpg h ALA 664 Ca 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1wpg h ALA 664 Cb 2.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.67 1wpg h ALA 664 CO -0.08 -0.26 0.00 0.93 0.00 0.00 0.00 179.25 179.84 1wpg h GLU 665 N -0.86 0.00 -0.09 0.00 5.08 -1.05 -3.04 114.58 114.61 1wpg h GLU 665 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wpg h GLU 665 Cb 0.54 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 -0.60 2.33 4.20 -1.55 0.12 115.11 119.74 1wpg h GLN 666 Ca 0.00 -0.03 0.03 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 0.26 0.36 -0.09 -0.67 0.00 0.00 178.83 178.68 1wpg h ARG 667 N -0.01 0.68 -0.42 1.46 2.43 -1.68 -1.86 114.38 114.98 1wpg h ARG 667 Ca 0.03 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1wpg h ARG 667 Cb 0.17 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1wpg h ARG 667 CO -0.00 0.45 0.06 1.49 -1.51 0.00 0.00 179.97 180.46 1wpg h GLU 668 N 0.70 0.70 -0.84 0.20 4.57 -1.57 -2.68 114.58 115.65 1wpg h GLU 668 Ca 0.25 -0.19 0.16 0.00 -1.18 0.00 0.00 59.36 58.40 1wpg h GLU 668 Cb 0.06 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 1wpg h GLU 668 CO -0.12 0.74 0.56 0.00 -1.18 0.00 0.00 179.01 179.00 1wpg h ALA 669 N 0.93 2.05 0.00 2.92 0.00 -0.13 0.27 119.26 125.30 1wpg h ALA 669 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wpg h ALA 669 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wpg h ALA 669 CO 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 1wpg n ARG 671 N -3.50 0.31 -0.09 0.00 1.74 0.89 -4.44 116.66 111.57 1wpg n ARG 671 Ca -0.01 0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 1wpg n ARG 671 Cb 0.27 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.07 0.45 -2.65 5.56 0.63 -0.82 -5.03 116.66 112.74 1wpg n ARG 672 Ca 0.02 0.13 -0.37 0.00 -0.92 0.00 0.00 57.85 56.71 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 3.16 -0.08 5.13 0.00 0.19 -4.85 121.76 122.94 1wpg s ALA 673 Ca -0.26 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1wpg s ALA 673 Cb 0.07 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1wpg s ALA 673 CO 0.41 -0.03 0.66 0.00 0.00 0.00 0.00 175.76 176.80 1wpg s PHE 676 N 2.34 2.40 0.39 0.00 0.40 0.70 -0.75 117.98 123.46 1wpg s PHE 676 Ca 0.02 -1.28 0.07 0.00 -0.60 0.00 0.00 56.93 55.14 1wpg s PHE 676 Cb -0.12 -1.69 -0.08 0.00 0.51 0.00 0.00 43.02 41.65 1wpg s PHE 676 CO -0.07 -0.64 -0.01 0.00 0.70 0.00 0.00 175.22 175.20 1wpg s ALA 677 N 1.12 3.03 -1.55 5.36 0.00 0.79 0.06 121.76 130.56 1wpg s ALA 677 Ca -0.02 -2.24 -0.12 0.00 0.00 0.00 0.00 51.96 49.59 1wpg s ALA 677 Cb -0.14 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.25 1wpg s ALA 677 CO -0.06 -0.10 0.79 0.54 0.00 0.00 0.00 175.76 176.92 1wpg n ARG 678 N -0.90 -4.28 -3.25 0.00 1.74 0.34 -0.32 116.66 109.99 1wpg n ARG 678 Ca -0.05 0.49 -0.29 0.00 -0.77 0.00 0.00 57.85 57.23 1wpg n ARG 678 Cb 0.66 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.91 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 -3.45 4.97 0.30 1.55 1.01 -1.11 -3.81 120.40 119.86 1wpg s VAL 679 Ca 0.50 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.74 1wpg s VAL 679 Cb -0.26 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1wpg s VAL 679 CO 0.87 -0.35 0.27 -1.61 0.00 0.00 0.00 175.10 174.28 1wpg s GLU 680 N -3.57 2.84 0.31 2.72 2.02 -1.26 -4.48 118.70 117.27 1wpg s GLU 680 Ca 0.45 -1.18 0.07 0.00 0.02 0.00 0.00 54.97 54.34 1wpg s GLU 680 Cb -0.11 -2.54 0.80 0.00 0.10 0.00 0.00 34.13 32.38 1wpg s GLU 680 CO 0.30 0.21 1.74 -1.35 0.02 0.00 0.00 175.26 176.18 1wpg h PRO 681 N 1.32 0.58 -0.76 0.39 0.11 -1.78 -0.55 132.00 131.31 1wpg h PRO 681 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wpg h PRO 681 Cb 1.25 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1wpg h PRO 681 CO 0.59 0.39 0.49 0.77 -0.21 0.00 0.00 178.00 180.03 1wpg h SER 682 N 0.60 0.88 -0.66 -2.05 0.02 -1.95 -2.69 113.55 107.70 1wpg h SER 682 Ca 0.60 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.58 1wpg h SER 682 Cb 1.07 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 1wpg h SER 682 CO -0.45 0.65 0.44 0.45 -1.14 0.00 0.00 176.83 176.77 1wpg h HIS 683 N 1.04 0.69 -0.05 3.45 3.86 -1.48 -1.40 115.15 121.26 1wpg h HIS 683 Ca 0.28 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1wpg h HIS 683 Cb -0.10 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.14 1wpg h HIS 683 CO 0.00 0.38 -0.03 0.87 0.86 0.00 0.00 177.93 180.00 1wpg h LYS 684 N 0.69 0.12 -0.33 2.45 1.57 -1.50 -1.02 116.57 118.54 1wpg h LYS 684 Ca 0.28 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1wpg h LYS 684 Cb 0.22 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1wpg h LYS 684 CO -0.09 0.52 -0.04 0.66 -0.57 0.00 0.00 179.45 179.93 1wpg h SER 685 N -0.29 0.51 -0.31 0.86 4.64 -1.55 -1.03 113.55 116.38 1wpg h SER 685 Ca 0.01 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1wpg h SER 685 Cb 0.49 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1wpg h SER 685 CO 0.01 0.61 0.09 0.50 -0.87 0.00 0.00 176.83 177.17 1wpg h LYS 686 N 0.50 0.49 -0.77 4.77 3.64 -1.16 0.67 116.57 124.72 1wpg h LYS 686 Ca 0.10 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1wpg h LYS 686 Cb 0.39 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1wpg h LYS 686 CO 0.02 0.55 0.29 0.82 -2.27 0.00 0.00 179.45 178.86 1wpg h ILE 687 N 0.35 1.26 -0.80 2.00 2.04 -0.82 -0.90 117.51 120.63 1wpg h ILE 687 Ca 0.10 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1wpg h ILE 687 Cb 0.27 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1wpg h ILE 687 CO -0.00 0.34 0.33 0.58 0.00 0.00 0.00 178.15 179.40 1wpg h VAL 688 N 1.12 1.26 -0.62 1.67 2.07 -0.88 -1.85 116.25 119.02 1wpg h VAL 688 Ca 0.25 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1wpg h VAL 688 Cb 0.23 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1wpg h VAL 688 CO -0.02 0.33 0.28 -0.08 0.02 0.00 0.00 177.57 178.10 1wpg h GLU 689 N 1.16 0.91 -0.69 1.57 4.81 -0.20 -0.92 114.58 121.22 1wpg h GLU 689 Ca 0.27 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1wpg h GLU 689 Cb 0.20 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1wpg h GLU 689 CO -0.02 0.75 0.27 1.88 -0.73 0.00 0.00 179.01 181.16 1wpg h TYR 690 N 0.86 1.05 -0.56 0.92 0.99 -0.86 -1.04 116.97 118.33 1wpg h TYR 690 Ca 0.21 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1wpg h TYR 690 Cb 0.16 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 37.54 1wpg h TYR 690 CO 0.01 0.82 0.37 -0.07 -0.00 0.00 0.00 178.16 179.28 1wpg h LEU 691 N 0.98 0.64 -1.30 3.88 4.07 -0.88 -0.86 115.31 121.84 1wpg h LEU 691 Ca 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1wpg h LEU 691 Cb 0.21 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1wpg h LEU 691 CO -0.02 0.47 0.00 1.56 -1.08 0.00 0.00 178.44 179.37 1wpg h GLN 692 N 0.76 0.00 0.00 1.13 4.20 -0.70 -1.90 115.11 118.60 1wpg h GLN 692 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1wpg h GLN 692 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 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 -0.58 1.46 4.64 0.17 -0.59 113.55 118.66 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 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 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 -2.72 0.97 -2.16 4.77 4.02 -0.72 -4.91 117.16 116.42 1wpg n TYR 694 Ca 0.01 -0.44 -0.16 0.00 -0.01 0.00 0.00 57.90 57.31 1wpg n TYR 694 Cb 0.27 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 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 -4.73 -4.82 7.72 8.00 -0.23 -4.99 116.55 118.61 1wpg n ASP 695 Ca 0.21 0.05 -0.38 0.00 0.71 0.00 0.00 54.79 55.38 1wpg n ASP 695 Cb 0.60 -3.82 -0.06 0.00 -0.02 0.00 0.00 41.12 37.83 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 -4.54 4.01 -0.33 -1.24 2.02 -1.23 -4.81 118.70 112.58 1wpg s GLU 696 Ca 0.00 0.50 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 1wpg s GLU 696 Cb 0.00 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1wpg s GLU 696 CO 0.00 0.65 1.08 0.42 0.02 0.00 0.00 175.26 177.44 1wpg s ILE 697 N -1.01 4.49 -0.05 -1.63 -1.09 -1.26 -4.37 121.20 116.28 1wpg s ILE 697 Ca 0.25 1.70 0.02 0.00 -2.23 0.00 0.00 60.65 60.40 1wpg s ILE 697 Cb -0.17 -4.43 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1wpg s ILE 697 CO 0.15 -0.51 -0.10 0.42 -1.23 0.00 0.00 174.94 173.67 1wpg s THR 698 N 3.71 3.46 0.22 2.92 -4.23 -1.26 -1.57 115.64 118.89 1wpg s THR 698 Ca 0.46 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 60.42 1wpg s THR 698 Cb -0.12 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1wpg s THR 698 CO 0.16 0.55 -0.03 0.00 -0.54 0.00 0.00 174.62 174.76 1wpg s ALA 699 N -0.82 3.10 -0.04 3.99 0.00 0.82 -1.99 121.76 126.81 1wpg s ALA 699 Ca 0.13 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1wpg s ALA 699 Cb -0.11 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1wpg s ALA 699 CO 0.02 0.38 -0.02 1.41 0.00 0.00 0.00 175.76 177.56 1wpg s MET 700 N -3.22 0.54 -0.08 0.00 0.00 -0.28 0.29 119.30 116.55 1wpg s MET 700 Ca 0.28 -0.01 0.04 0.00 0.00 0.00 0.00 55.69 56.01 1wpg s MET 700 Cb -0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 34.83 34.10 1wpg s MET 700 CO 0.18 -0.11 -0.20 0.99 0.00 0.00 0.00 175.02 175.88 1wpg s THR 701 N 0.97 2.45 0.17 10.11 2.01 0.21 0.36 115.64 131.92 1wpg s THR 701 Ca -0.10 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 1wpg s THR 701 Cb -0.14 -1.94 0.08 0.00 0.01 0.00 0.00 72.50 70.51 1wpg s THR 701 CO -0.01 0.56 1.03 -0.83 -0.69 0.00 0.00 174.62 174.68 1wpg s GLY 702 N -0.10 0.01 0.00 4.40 0.00 -0.56 -0.59 107.32 110.47 1wpg s GLY 702 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1wpg s GLY 702 CO 0.04 1.74 0.00 2.09 0.00 0.00 0.00 173.10 176.97 1wpg n ASP 703 N -1.01 0.27 -4.96 1.64 5.75 -1.26 -1.85 116.55 115.13 1wpg n ASP 703 Ca -0.04 -0.03 -0.22 0.00 -0.01 0.00 0.00 54.79 54.49 1wpg n ASP 703 Cb 0.60 0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.81 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 -0.17 1.57 0.55 6.12 0.00 -1.26 -1.32 107.32 112.82 1wpg s GLY 704 Ca 0.00 -1.11 0.34 0.00 0.00 0.00 0.00 44.72 43.95 1wpg s GLY 704 CO 0.00 -0.95 1.99 -0.39 0.00 0.00 0.00 173.10 173.75 1wpg h VAL 705 N 0.46 0.00 0.00 1.40 -1.51 -1.83 -1.65 116.25 113.12 1wpg h VAL 705 Ca -0.46 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1wpg h VAL 705 Cb 1.25 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1wpg h VAL 705 CO 0.57 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.45 1wpg n ASN 706 N -3.09 0.00 -0.01 4.19 6.94 -1.11 -2.21 115.26 119.98 1wpg n ASN 706 Ca 0.01 -0.10 0.11 0.00 -0.02 0.00 0.00 54.58 54.57 1wpg n ASN 706 Cb 0.30 -0.25 -0.15 0.00 -2.36 0.00 0.00 39.78 37.33 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 -1.25 0.41 -0.24 0.53 8.00 -0.62 -4.46 116.55 118.92 1wpg n ASP 707 Ca 0.11 -0.38 0.01 0.00 0.71 0.00 0.00 54.79 55.24 1wpg n ASP 707 Cb 0.15 1.61 0.09 0.00 -0.02 0.00 0.00 41.12 42.96 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 2.36 0.53 -0.09 2.24 0.00 -1.46 0.11 119.26 122.95 1wpg h ALA 708 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1wpg h ALA 708 Cb 0.80 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1wpg h ALA 708 CO 0.00 -0.42 -0.08 -1.35 0.00 0.00 0.00 179.25 177.40 1wpg h PRO 709 N 0.03 -0.09 -0.24 0.00 0.11 -1.82 -0.40 132.00 129.59 1wpg h PRO 709 Ca 0.35 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.39 1wpg h PRO 709 Cb 0.55 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1wpg h PRO 709 CO -0.69 -0.06 -0.15 0.00 -0.21 0.00 0.00 178.00 176.90 1wpg h ALA 710 N 0.98 1.32 -0.09 -0.75 0.00 -1.63 -0.03 119.26 119.06 1wpg h ALA 710 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1wpg h ALA 710 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wpg h ALA 710 CO -0.14 0.46 -0.34 -0.07 0.00 0.00 0.00 179.25 179.16 1wpg h LEU 711 N 0.37 0.17 -0.00 0.00 3.38 -0.30 -1.19 115.31 117.74 1wpg h LEU 711 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wpg h LEU 711 Cb 0.48 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wpg h LEU 711 CO 0.03 0.51 -0.00 0.50 0.09 0.00 0.00 178.44 179.57 1wpg h LYS 712 N 0.15 0.00 -0.61 1.13 1.63 -0.51 -3.35 116.57 115.01 1wpg h LYS 712 Ca 0.02 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1wpg h LYS 712 Cb 0.68 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.27 1wpg h LYS 712 CO 0.05 0.79 0.38 -0.22 -3.45 0.00 0.00 179.45 177.00 1wpg h LYS 713 N -0.79 0.74 -7.15 1.90 1.63 -0.90 -3.44 116.57 108.56 1wpg h LYS 713 Ca -0.00 -0.04 -0.55 0.00 -0.85 0.00 0.00 60.65 59.20 1wpg h LYS 713 Cb 0.79 -0.17 0.17 0.00 -0.60 0.00 0.00 32.23 32.42 1wpg h LYS 713 CO 0.00 0.49 0.45 0.00 -3.45 0.00 0.00 179.45 176.94 1wpg n ALA 714 N -2.29 0.71 -0.24 5.00 0.00 -0.46 -4.92 120.51 118.32 1wpg n ALA 714 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 1wpg n ALA 714 Cb 0.06 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 17.26 1wpg n ALA 714 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wpg h GLU 715 N -0.03 0.94 -4.37 0.00 3.07 -1.70 -3.38 114.58 109.11 1wpg h GLU 715 Ca -0.49 -0.14 -0.62 0.00 -0.50 0.00 0.00 59.36 57.61 1wpg h GLU 715 Cb 1.32 -0.17 -0.39 0.00 -0.84 0.00 0.00 28.75 28.68 1wpg h GLU 715 CO 0.50 0.75 -0.77 0.42 -1.40 0.00 0.00 179.01 178.51 1wpg s ILE 716 N -5.72 1.67 -0.15 3.13 1.09 -1.12 -4.95 121.20 115.14 1wpg s ILE 716 Ca -0.13 -1.53 -0.18 0.00 -1.10 0.00 0.00 60.65 57.71 1wpg s ILE 716 Cb 0.14 -2.02 -0.04 0.00 -1.06 0.00 0.00 42.46 39.48 1wpg s ILE 716 CO 0.79 -0.28 0.48 -0.83 -0.10 0.00 0.00 174.94 175.00 1wpg s GLY 717 N 1.29 2.27 -0.20 6.18 0.00 -1.26 -1.13 107.32 114.48 1wpg s GLY 717 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1wpg s GLY 717 CO -0.09 0.87 -0.12 -0.42 0.00 0.00 0.00 173.10 173.34 1wpg s ILE 718 N 0.98 1.75 0.07 0.90 1.01 0.16 0.12 121.20 126.19 1wpg s ILE 718 Ca 0.25 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1wpg s ILE 718 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1wpg s ILE 718 CO 0.10 0.23 0.14 0.00 0.00 0.00 0.00 174.94 175.41 1wpg s ALA 719 N 1.36 3.77 0.35 9.38 0.00 -0.46 -1.50 121.76 134.67 1wpg s ALA 719 Ca -0.01 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 1wpg s ALA 719 Cb -0.16 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 1wpg s ALA 719 CO -0.09 0.78 1.08 -1.64 0.00 0.00 0.00 175.76 175.90 1wpg s MET 720 N -2.45 4.32 0.36 0.00 1.00 -0.77 -0.77 119.30 120.99 1wpg s MET 720 Ca 0.32 1.67 0.04 0.00 0.00 0.00 0.00 55.69 57.72 1wpg s MET 720 Cb -0.13 -2.80 0.70 0.00 0.00 0.00 0.00 34.83 32.61 1wpg s MET 720 CO 0.25 -0.04 1.99 0.78 0.00 0.00 0.00 175.02 178.00 1wpg h GLY 721 N 3.01 0.90 -3.05 -0.03 0.00 -1.30 -2.17 103.07 100.43 1wpg h GLY 721 Ca -0.48 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1wpg h GLY 721 CO 0.64 0.27 0.00 -1.14 0.00 0.00 0.00 176.54 176.31 1wpg n SER 722 N -4.46 4.77 -2.05 0.19 3.41 -1.26 -4.96 113.62 109.25 1wpg n SER 722 Ca 0.08 -2.62 -0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1wpg n SER 722 Cb 0.13 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 0.80 0.86 3.74 5.00 0.00 -0.82 -5.07 105.19 109.70 1wpg n GLY 723 Ca 0.24 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 0.23 2.78 0.18 2.61 -4.23 -0.43 -4.92 115.64 111.86 1wpg s THR 724 Ca 0.01 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.76 1wpg s THR 724 Cb -0.00 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1wpg s THR 724 CO 0.01 -0.28 1.54 0.00 -0.54 0.00 0.00 174.62 175.35 1wpg h ALA 725 N -0.84 0.70 -0.28 3.99 0.00 -1.97 -2.46 119.26 118.41 1wpg h ALA 725 Ca -0.45 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.06 1wpg h ALA 725 Cb 1.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1wpg h ALA 725 CO 0.49 0.66 0.07 0.28 0.00 0.00 0.00 179.25 180.75 1wpg h VAL 726 N 0.69 0.88 -0.34 0.00 2.07 -1.90 0.23 116.25 117.87 1wpg h VAL 726 Ca 0.07 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1wpg h VAL 726 Cb 0.91 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1wpg h VAL 726 CO 0.08 0.03 0.22 0.00 0.02 0.00 0.00 177.57 177.93 1wpg h ALA 727 N 1.20 0.43 0.34 1.67 0.00 -1.75 -1.52 119.26 119.63 1wpg h ALA 727 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wpg h ALA 727 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wpg h ALA 727 CO -0.16 -0.11 -0.21 0.87 0.00 0.00 0.00 179.25 179.63 1wpg h LYS 728 N 0.46 -0.51 0.00 0.00 1.57 -0.90 -2.02 116.57 115.16 1wpg h LYS 728 Ca 0.13 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1wpg h LYS 728 Cb -0.04 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1wpg h LYS 728 CO -0.03 -0.34 0.00 0.25 -0.57 0.00 0.00 179.45 178.75 1wpg n THR 729 N -5.34 1.25 0.14 -0.16 -2.24 0.76 -1.01 114.28 107.68 1wpg n THR 729 Ca -0.10 0.31 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 1wpg n THR 729 Cb 0.25 -1.17 0.20 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 -1.44 2.38 -2.56 6.98 0.00 -0.59 -4.47 120.51 120.81 1wpg n ALA 730 Ca 0.03 -1.02 -0.23 0.00 0.00 0.00 0.00 53.44 52.22 1wpg n ALA 730 Cb 0.09 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.28 4.86 -0.04 0.00 0.01 -0.18 -3.95 113.70 113.12 1wpg s SER 731 Ca 0.35 -0.65 0.11 0.00 1.31 0.00 0.00 55.95 57.07 1wpg s SER 731 Cb 0.20 -0.86 -0.23 0.00 0.21 0.00 0.00 66.02 65.34 1wpg s SER 731 CO 0.27 -0.24 0.67 -0.33 0.41 0.00 0.00 173.24 174.02 1wpg h GLU 732 N 1.53 0.02 -4.49 12.44 3.07 -0.61 -3.45 114.58 123.10 1wpg h GLU 732 Ca -0.44 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.19 1wpg h GLU 732 Cb 1.25 0.01 -0.15 0.00 -0.84 0.00 0.00 28.75 29.02 1wpg h GLU 732 CO 0.62 0.56 -0.68 -1.64 -1.40 0.00 0.00 179.01 176.47 1wpg s MET 733 N -2.60 0.82 -0.04 2.33 -1.94 -0.44 0.94 119.30 118.38 1wpg s MET 733 Ca -0.06 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 52.59 1wpg s MET 733 Cb 0.08 0.02 0.02 0.00 2.01 0.00 0.00 34.83 36.95 1wpg s MET 733 CO 0.82 -0.12 -0.05 0.08 -0.01 0.00 0.00 175.02 175.74 1wpg s VAL 734 N -3.82 0.55 -1.02 -6.03 1.01 0.02 -1.35 120.40 109.76 1wpg s VAL 734 Ca 0.14 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1wpg s VAL 734 Cb 0.07 -0.55 0.14 0.00 0.00 0.00 0.00 36.38 36.04 1wpg s VAL 734 CO -0.04 0.21 1.23 -0.76 0.00 0.00 0.00 175.10 175.75 1wpg s LEU 735 N 0.68 5.03 0.66 3.92 1.43 0.05 -1.62 118.68 128.83 1wpg s LEU 735 Ca -0.09 -2.35 0.15 0.00 -1.03 0.00 0.00 54.13 50.81 1wpg s LEU 735 Cb -0.12 -2.40 0.83 0.00 0.03 0.00 0.00 46.19 44.53 1wpg s LEU 735 CO 0.00 -0.96 1.47 0.00 0.23 0.00 0.00 176.35 177.09 1wpg h ALA 736 N 8.28 1.67 -0.05 4.21 0.00 -1.64 0.18 119.26 131.90 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 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wpg h ALA 736 CO 1.16 -0.66 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1wpg n ASP 737 N -2.70 2.51 -0.46 0.00 5.75 -1.26 -4.72 116.55 115.67 1wpg n ASP 737 Ca -0.01 -2.82 -0.04 0.00 -0.01 0.00 0.00 54.79 51.92 1wpg n ASP 737 Cb 0.69 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.04 -3.02 -4.67 -1.12 8.00 0.43 -4.90 116.55 110.23 1wpg n ASP 738 Ca 0.13 0.09 -0.40 0.00 0.71 0.00 0.00 54.79 55.33 1wpg n ASP 738 Cb 0.59 -2.30 -0.06 0.00 -0.02 0.00 0.00 41.12 39.33 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 6.68 0.48 -2.24 3.84 -1.26 -4.95 114.94 116.15 1wpg s ASN 739 Ca 0.00 0.82 0.23 0.00 0.21 0.00 0.00 52.86 54.13 1wpg s ASN 739 Cb 0.00 -2.33 1.23 0.00 -0.55 0.00 0.00 41.25 39.60 1wpg s ASN 739 CO 0.00 -0.20 2.00 0.15 -2.79 0.00 0.00 177.10 176.26 1wpg h PHE 740 N 7.31 0.00 0.00 0.43 3.57 -1.91 -1.96 116.94 124.38 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 0.18 -0.06 0.77 -2.23 0.00 0.00 178.31 177.66 1wpg h SER 741 N 0.00 0.00 -0.16 0.41 0.02 -1.92 -1.30 113.55 110.59 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 0.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1wpg h SER 741 CO 0.02 0.06 -0.03 0.74 -1.14 0.00 0.00 176.83 176.48 1wpg h THR 742 N 0.00 1.19 0.27 -2.27 2.02 -1.68 -2.14 112.91 110.29 1wpg h THR 742 Ca -0.00 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1wpg h THR 742 Cb 0.17 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1wpg h THR 742 CO 0.01 0.25 -0.17 0.40 0.37 0.00 0.00 175.52 176.39 1wpg h ILE 743 N 0.42 0.65 -0.50 3.11 1.08 -1.39 0.35 117.51 121.24 1wpg h ILE 743 Ca 0.09 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.64 1wpg h ILE 743 Cb 0.32 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 1wpg h ILE 743 CO 0.01 0.00 0.15 0.58 -0.69 0.00 0.00 178.15 178.20 1wpg h VAL 744 N -0.42 0.78 -0.18 1.67 2.07 -1.54 0.19 116.25 118.82 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 0.35 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1wpg h VAL 744 CO 0.03 0.06 -0.03 0.00 0.02 0.00 0.00 177.57 177.64 1wpg h ALA 745 N 1.36 1.62 -0.06 1.67 0.00 -1.11 0.13 119.26 122.87 1wpg h ALA 745 Ca 0.25 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1wpg h ALA 745 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wpg h ALA 745 CO -0.28 0.28 -0.76 0.00 0.00 0.00 0.00 179.25 178.49 1wpg h ALA 746 N 1.72 0.58 -0.29 0.00 0.00 0.92 -1.62 119.26 120.57 1wpg h ALA 746 Ca 0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1wpg h ALA 746 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wpg h ALA 746 CO 0.01 0.78 0.02 0.28 0.00 0.00 0.00 179.25 180.34 1wpg h VAL 747 N 0.25 1.25 -0.52 0.00 2.07 0.22 0.10 116.25 119.61 1wpg h VAL 747 Ca -0.04 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1wpg h VAL 747 Cb 1.34 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1wpg h VAL 747 CO 0.13 0.28 0.33 -0.08 0.02 0.00 0.00 177.57 178.25 1wpg h GLU 748 N 0.29 0.66 -0.57 1.57 4.81 -0.95 0.59 114.58 120.98 1wpg h GLU 748 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1wpg h GLU 748 Cb 0.39 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1wpg h GLU 748 CO 0.01 0.43 0.29 1.49 -0.73 0.00 0.00 179.01 180.50 1wpg h GLU 749 N 0.68 0.82 -0.74 1.92 4.57 -1.16 -0.66 114.58 120.00 1wpg h GLU 749 Ca 0.20 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1wpg h GLU 749 Cb -0.04 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 1wpg h GLU 749 CO -0.06 0.66 0.48 0.78 -1.18 0.00 0.00 179.01 179.69 1wpg h GLY 750 N 0.78 1.06 0.77 1.92 0.00 0.03 0.88 103.07 108.51 1wpg h GLY 750 Ca 0.20 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1wpg h GLY 750 CO -0.03 0.34 -0.01 3.21 0.00 0.00 0.00 176.54 180.05 1wpg h ARG 751 N 0.96 0.27 0.03 4.80 3.08 -0.56 -2.34 114.38 120.61 1wpg h ARG 751 Ca 0.29 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1wpg h ARG 751 Cb -0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1wpg h ARG 751 CO -0.09 0.52 -0.09 0.00 -1.07 0.00 0.00 179.97 179.24 1wpg h ALA 752 N 0.74 -0.12 -0.92 0.04 0.00 -0.82 -1.95 119.26 116.22 1wpg h ALA 752 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1wpg h ALA 752 Cb 0.41 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1wpg h ALA 752 CO 0.01 -0.60 0.56 0.82 0.00 0.00 0.00 179.25 180.05 1wpg h ILE 753 N -0.18 0.95 -0.25 0.00 1.08 -0.84 -2.03 117.51 116.25 1wpg h ILE 753 Ca 0.03 -0.32 -0.12 0.00 -0.39 0.00 0.00 64.86 64.05 1wpg h ILE 753 Cb 0.21 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.87 1wpg h ILE 753 CO -0.08 0.17 -0.36 0.22 -0.69 0.00 0.00 178.15 177.42 1wpg h TYR 754 N 0.94 0.64 -0.62 1.37 3.20 -1.05 -1.21 116.97 120.25 1wpg h TYR 754 Ca 0.44 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 1wpg h TYR 754 Cb 0.36 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1wpg h TYR 754 CO -0.03 0.83 0.21 -0.91 -1.64 0.00 0.00 178.16 176.62 1wpg h ASN 755 N 0.46 0.86 -0.11 -2.11 2.35 -0.64 -0.36 115.58 116.01 1wpg h ASN 755 Ca 0.05 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1wpg h ASN 755 Cb 0.83 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1wpg h ASN 755 CO 0.07 0.79 -0.21 0.78 -1.65 0.00 0.00 177.43 177.21 1wpg h ASN 756 N 0.90 0.38 -0.97 5.81 4.21 -1.29 -2.99 115.58 121.64 1wpg h ASN 756 Ca 0.21 -0.55 0.06 0.00 1.21 0.00 0.00 56.30 57.23 1wpg h ASN 756 Cb 0.23 -0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 37.25 1wpg h ASN 756 CO -0.01 0.86 0.63 0.24 -1.29 0.00 0.00 177.43 177.86 1wpg h MET 757 N -0.08 1.11 -0.87 0.81 2.86 -1.02 0.22 114.93 117.96 1wpg h MET 757 Ca 0.01 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1wpg h MET 757 Cb 0.80 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 1wpg h MET 757 CO 0.05 0.73 0.56 -0.22 1.06 0.00 0.00 176.91 179.09 1wpg h LYS 758 N 1.14 0.78 0.39 1.72 3.64 -1.02 -0.50 116.57 122.73 1wpg h LYS 758 Ca 0.42 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1wpg h LYS 758 Cb 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1wpg h LYS 758 CO -0.17 0.52 -0.19 1.96 -2.27 0.00 0.00 179.45 179.30 1wpg h GLN 759 N 0.80 -0.51 0.00 1.90 1.08 -0.81 -2.41 115.11 115.16 1wpg h GLN 759 Ca 0.41 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 1wpg h GLN 759 Cb 0.49 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1wpg h GLN 759 CO -0.18 -0.34 0.00 0.27 -0.95 0.00 0.00 178.83 177.64 1wpg h PHE 760 N -0.91 0.00 -0.01 2.96 -5.15 -1.37 0.24 116.94 112.71 1wpg h PHE 760 Ca -0.05 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.69 1wpg h PHE 760 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.57 1wpg h PHE 760 CO 0.03 0.00 -0.09 0.82 -2.00 0.00 0.00 178.31 177.06 1wpg h ILE 761 N 0.00 1.54 -0.70 0.88 2.04 -1.11 -1.58 117.51 118.58 1wpg h ILE 761 Ca 0.00 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1wpg h ILE 761 Cb 0.14 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1wpg h ILE 761 CO 0.00 0.46 0.37 0.03 0.00 0.00 0.00 178.15 179.00 1wpg h ARG 762 N -0.58 0.98 0.08 2.37 3.08 -0.73 -0.88 114.38 118.71 1wpg h ARG 762 Ca -0.01 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1wpg h ARG 762 Cb 0.80 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1wpg h ARG 762 CO 0.02 0.75 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.69 1wpg h TYR 763 N 0.96 -0.17 -0.87 3.04 3.20 -0.56 0.37 116.97 122.93 1wpg h TYR 763 Ca 0.24 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.26 1wpg h TYR 763 Cb 0.07 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 1wpg h TYR 763 CO -0.00 -0.09 0.57 -0.07 -1.64 0.00 0.00 178.16 176.93 1wpg h LEU 764 N -0.14 0.62 -0.43 2.82 3.38 -1.30 -0.76 115.31 119.51 1wpg h LEU 764 Ca -0.01 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1wpg h LEU 764 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1wpg h LEU 764 CO 0.00 0.31 -0.71 -0.29 0.09 0.00 0.00 178.44 177.84 1wpg h ILE 765 N 0.65 1.41 -0.52 1.22 2.10 -1.05 -2.71 117.51 118.62 1wpg h ILE 765 Ca 0.44 -2.53 -0.10 0.00 1.08 0.00 0.00 64.86 63.75 1wpg h ILE 765 Cb 0.75 2.40 -0.02 0.00 -1.09 0.00 0.00 36.82 38.86 1wpg h ILE 765 CO -0.19 0.70 -0.09 -1.28 -1.08 0.00 0.00 178.15 176.21 1wpg h SER 766 N 0.00 0.97 0.01 2.19 0.87 0.12 -2.92 113.55 114.79 1wpg h SER 766 Ca -0.01 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1wpg h SER 766 Cb 1.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1wpg h SER 766 CO 0.09 1.09 -0.06 -1.28 -0.53 0.00 0.00 176.83 176.14 1wpg h SER 767 N 0.84 -0.18 -0.31 6.23 0.87 -1.25 -1.61 113.55 118.14 1wpg h SER 767 Ca 0.14 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 1wpg h SER 767 Cb 0.64 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1wpg h SER 767 CO 0.04 -0.10 0.33 0.78 -0.53 0.00 0.00 176.83 177.36 1wpg h ASN 768 N -0.12 0.00 0.05 6.23 4.21 -1.33 -1.12 115.58 123.50 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 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1wpg h ASN 768 CO -0.06 0.00 -0.02 0.58 -1.29 0.00 0.00 177.43 176.64 1wpg h VAL 769 N 0.00 1.25 -0.68 2.81 2.07 -1.11 -2.73 116.25 117.86 1wpg h VAL 769 Ca 0.15 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1wpg h VAL 769 Cb 0.80 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1wpg h VAL 769 CO -0.00 0.26 0.43 1.23 0.02 0.00 0.00 177.57 179.51 1wpg h GLY 770 N -0.55 0.96 1.02 2.17 0.00 -1.05 -2.20 103.07 103.43 1wpg h GLY 770 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1wpg h GLY 770 CO 0.01 0.37 0.24 0.83 0.00 0.00 0.00 176.54 177.99 1wpg h GLU 771 N 0.93 1.00 -0.55 4.80 5.08 -1.36 -1.93 114.58 122.53 1wpg h GLU 771 Ca 0.25 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1wpg h GLU 771 Cb -0.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1wpg h GLU 771 CO -0.05 0.85 0.22 0.28 -1.00 0.00 0.00 179.01 179.31 1wpg h VAL 772 N 0.93 1.22 -0.54 3.13 2.07 -1.11 -1.69 116.25 120.26 1wpg h VAL 772 Ca 0.22 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1wpg h VAL 772 Cb 0.24 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1wpg h VAL 772 CO -0.01 0.26 0.29 0.58 0.02 0.00 0.00 177.57 178.71 1wpg h VAL 773 N 0.76 0.98 0.07 2.57 2.07 -1.12 -0.43 116.25 121.15 1wpg h VAL 773 Ca 0.18 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1wpg h VAL 773 Cb 0.20 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1wpg h VAL 773 CO -0.02 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.58 1wpg h ILE 775 N -0.20 1.02 0.11 0.00 1.08 -0.99 -2.46 117.51 116.08 1wpg h ILE 775 Ca 0.01 -0.30 -0.29 0.00 -0.39 0.00 0.00 64.86 63.90 1wpg h ILE 775 Cb 0.20 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1wpg h ILE 775 CO -0.04 0.08 -1.40 0.15 -0.69 0.00 0.00 178.15 176.25 1wpg h PHE 776 N 0.00 0.41 0.98 1.37 3.57 -0.45 -3.05 116.94 119.77 1wpg h PHE 776 Ca -0.00 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.15 1wpg h PHE 776 Cb 0.16 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.89 1wpg h PHE 776 CO 0.00 1.30 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.84 1wpg h LEU 777 N 0.06 -1.12 -1.69 0.59 3.38 0.07 -1.87 115.31 114.74 1wpg h LEU 777 Ca -0.19 0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.93 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 -0.79 0.40 0.71 0.09 0.00 0.00 178.44 179.02 1wpg h THR 778 N -1.34 0.87 -0.51 0.22 1.35 -1.61 0.68 112.91 112.56 1wpg h THR 778 Ca -0.14 -0.12 -0.09 0.00 -0.55 0.00 0.00 66.41 65.51 1wpg h THR 778 Cb 1.01 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1wpg h THR 778 CO 0.22 0.06 -0.04 0.00 -0.25 0.00 0.00 175.52 175.52 1wpg h ALA 779 N 1.70 0.70 0.00 6.62 0.00 -1.38 -2.27 119.26 124.63 1wpg h ALA 779 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wpg h ALA 779 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wpg h ALA 779 CO -0.07 0.55 -1.01 0.00 0.00 0.00 0.00 179.25 178.72 1wpg n ALA 780 N -2.46 3.74 1.31 0.00 0.00 -0.73 -3.93 120.51 118.44 1wpg n ALA 780 Ca 0.01 -0.46 0.13 0.00 0.00 0.00 0.00 53.44 53.13 1wpg n ALA 780 Cb 0.35 -0.92 0.36 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.79 2.05 0.00 0.00 7.94 0.23 -4.93 117.00 120.50 1wpg n LEU 781 Ca 0.03 -0.68 0.00 0.00 -1.11 0.00 0.00 56.01 54.24 1wpg n LEU 781 Cb 0.40 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1wpg n LEU 781 CO 0.41 0.34 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 1wpg n GLY 782 N 1.25 1.47 3.68 -3.96 0.00 -0.88 -4.70 105.19 102.05 1wpg n GLY 782 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.55 118.68 119.33 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 0.15 0.00 0.03 0.00 0.00 46.19 41.80 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 0.92 -0.36 1.29 0.04 -1.26 -4.64 135.00 126.42 1wpg s PRO 784 Ca 0.68 0.16 -0.32 0.00 0.04 0.00 0.00 61.00 61.56 1wpg s PRO 784 Cb -0.24 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1wpg s PRO 784 CO 0.57 -2.32 2.25 0.39 0.04 0.00 0.00 177.00 177.93 1wpg n GLU 785 N -3.82 1.28 0.07 4.56 1.02 -1.26 -4.81 120.64 117.67 1wpg n GLU 785 Ca 0.08 0.31 -0.03 0.00 -0.02 0.00 0.00 57.16 57.50 1wpg n GLU 785 Cb 0.59 -2.76 -0.07 0.00 -0.02 0.00 0.00 31.44 29.18 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 -2.63 0.62 0.00 -1.94 -3.46 119.26 126.43 1wpg h ALA 786 Ca -0.30 -0.85 -0.12 0.00 0.00 0.00 0.00 54.91 53.65 1wpg h ALA 786 Cb 1.29 0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.84 1wpg h ALA 786 CO 1.03 1.06 -0.35 -0.51 0.00 0.00 0.00 179.25 180.48 1wpg s LEU 787 N -6.39 -0.31 0.36 0.00 1.43 -1.26 -4.51 118.68 107.99 1wpg s LEU 787 Ca 0.00 0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1wpg s LEU 787 Cb 0.09 1.27 -0.05 0.00 0.03 0.00 0.00 46.19 47.52 1wpg s LEU 787 CO 0.80 -0.21 0.65 0.27 0.23 0.00 0.00 176.35 178.09 1wpg s ILE 788 N 1.97 4.95 0.28 -0.59 -4.36 -1.26 -4.99 121.20 117.19 1wpg s ILE 788 Ca -0.05 0.19 0.01 0.00 -0.26 0.00 0.00 60.65 60.53 1wpg s ILE 788 Cb -0.10 -3.77 0.28 0.00 1.25 0.00 0.00 42.46 40.12 1wpg s ILE 788 CO -0.12 -0.49 1.83 1.55 0.24 0.00 0.00 174.94 177.95 1wpg h PRO 789 N 1.23 0.95 -0.46 0.37 0.13 -1.93 -1.49 132.00 130.80 1wpg h PRO 789 Ca -0.48 -0.06 0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1wpg h PRO 789 Cb 1.19 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1wpg h PRO 789 CO 0.64 0.63 0.35 0.28 -0.23 0.00 0.00 178.00 179.67 1wpg h VAL 790 N 0.98 0.71 0.16 1.56 2.07 -1.97 -1.21 116.25 118.55 1wpg h VAL 790 Ca 0.49 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.79 1wpg h VAL 790 Cb 0.47 0.76 0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1wpg h VAL 790 CO -0.26 0.00 -0.95 1.56 0.02 0.00 0.00 177.57 177.93 1wpg h GLN 791 N 0.00 0.34 -0.54 1.57 4.20 -1.60 -3.26 115.11 115.82 1wpg h GLN 791 Ca 0.22 -0.58 0.04 0.00 0.06 0.00 0.00 58.65 58.39 1wpg h GLN 791 Cb 0.91 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1wpg h GLN 791 CO -0.00 1.28 0.29 -0.07 -0.67 0.00 0.00 178.83 179.65 1wpg h LEU 792 N -0.28 0.43 -1.10 1.46 3.38 -1.08 -2.01 115.31 116.11 1wpg h LEU 792 Ca -0.17 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1wpg h LEU 792 Cb 1.74 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.36 1wpg h LEU 792 CO 0.17 0.30 0.61 -0.07 0.09 0.00 0.00 178.44 179.53 1wpg h LEU 793 N 0.56 0.92 -1.04 1.67 3.38 -1.39 0.39 115.31 119.80 1wpg h LEU 793 Ca 0.23 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1wpg h LEU 793 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1wpg h LEU 793 CO -0.15 0.57 -0.41 -0.25 0.09 0.00 0.00 178.44 178.29 1wpg h TRP 794 N 1.03 0.17 0.12 1.13 2.91 -1.42 -2.53 115.95 117.36 1wpg h TRP 794 Ca 0.42 -0.04 -0.29 0.00 1.13 0.00 0.00 58.89 60.11 1wpg h TRP 794 Cb 0.28 -0.04 0.03 0.00 -0.51 0.00 0.00 29.16 28.92 1wpg h TRP 794 CO -0.00 0.53 -1.20 0.28 -1.03 0.00 0.00 178.44 177.02 1wpg h VAL 795 N 0.12 1.30 -0.06 2.65 2.07 -0.69 -1.52 116.25 120.12 1wpg h VAL 795 Ca 0.01 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1wpg h VAL 795 Cb 0.78 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1wpg h VAL 795 CO 0.06 0.74 0.00 0.59 0.02 0.00 0.00 177.57 178.98 1wpg n ASN 796 N -3.83 0.41 0.00 0.57 3.02 -0.00 -0.10 115.26 115.33 1wpg n ASN 796 Ca -0.14 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1wpg n ASN 796 Cb 0.97 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.38 0.57 0.02 3.41 4.77 -0.96 -2.36 117.00 122.07 1wpg n LEU 797 Ca 0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1wpg n LEU 797 Cb 0.09 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1wpg n LEU 797 CO 0.06 0.09 -0.28 0.52 -1.33 0.00 0.00 177.39 176.46 1wpg n VAL 798 N -1.54 0.62 -0.08 4.08 0.31 -0.62 -3.93 118.33 117.17 1wpg n VAL 798 Ca 0.00 0.19 -0.06 0.00 -0.01 0.00 0.00 64.34 64.46 1wpg n VAL 798 Cb 0.25 -1.55 -0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.02 0.60 0.00 2.52 2.02 -1.42 -2.55 112.91 114.06 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 0.53 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1wpg h THR 799 CO -0.00 0.00 -1.06 0.47 0.37 0.00 0.00 175.52 175.30 1wpg n ASP 800 N -5.30 0.70 0.39 4.18 8.00 0.86 -4.34 116.55 121.05 1wpg n ASP 800 Ca 0.00 -0.56 -0.18 0.00 0.71 0.00 0.00 54.79 54.77 1wpg n ASP 800 Cb 0.21 0.95 -0.09 0.00 -0.02 0.00 0.00 41.12 42.18 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 4.75 -1.03 0.68 0.44 0.00 -1.58 -1.04 103.07 105.29 1wpg h GLY 801 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1wpg h GLY 801 CO 0.00 -0.37 -0.22 1.41 0.00 0.00 0.00 176.54 177.35 1wpg h LEU 802 N -0.98 -0.62 -0.76 3.11 -0.00 -1.73 -1.42 115.31 112.91 1wpg h LEU 802 Ca -0.10 0.06 0.16 0.00 -0.00 0.00 0.00 57.88 58.01 1wpg h LEU 802 Cb 0.76 0.22 -0.11 0.00 -0.00 0.00 0.00 40.66 41.54 1wpg h LEU 802 CO 0.15 -0.32 0.24 -0.65 -0.00 0.00 0.00 178.44 177.85 1wpg h PRO 803 N -0.45 0.32 0.00 1.13 0.11 -1.74 0.13 132.00 131.50 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 0.45 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1wpg h PRO 803 CO -0.09 0.21 -0.00 0.00 -0.21 0.00 0.00 178.00 177.92 1wpg h ALA 804 N 1.61 -0.00 -0.82 -0.75 0.00 -0.81 -1.37 119.26 117.11 1wpg h ALA 804 Ca 0.44 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1wpg h ALA 804 Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1wpg h ALA 804 CO -0.49 -0.48 0.52 1.15 0.00 0.00 0.00 179.25 179.95 1wpg h THR 805 N -0.04 1.11 -0.57 0.00 2.02 -0.14 -1.23 112.91 114.06 1wpg h THR 805 Ca -0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1wpg h THR 805 Cb 0.04 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1wpg h THR 805 CO 0.00 0.18 0.31 0.00 0.37 0.00 0.00 175.52 176.38 1wpg h ALA 806 N 1.35 1.48 0.00 6.16 0.00 -0.44 -0.94 119.26 126.88 1wpg h ALA 806 Ca 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wpg h ALA 806 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wpg h ALA 806 CO -0.13 0.43 -0.12 -0.07 0.00 0.00 0.00 179.25 179.36 1wpg h LEU 807 N 0.78 0.00 0.00 0.00 3.38 -0.09 -0.88 115.31 118.50 1wpg h LEU 807 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wpg h LEU 807 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wpg h LEU 807 CO -0.03 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1wpg n GLY 808 N -0.91 -0.82 0.69 0.83 0.00 -0.36 -1.72 105.19 102.91 1wpg n GLY 808 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.47 0.69 -1.80 1.61 3.72 -0.34 -4.91 117.46 114.95 1wpg n PHE 809 Ca 0.03 -1.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.07 1wpg n PHE 809 Cb 0.11 -0.29 0.06 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.28 4.79 0.18 4.37 0.01 -0.70 -4.91 114.94 116.40 1wpg s ASN 810 Ca 0.40 2.47 -0.31 0.00 -0.71 0.00 0.00 52.86 54.70 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 -1.87 1.51 -2.16 -1.51 0.00 0.00 177.10 173.13 1wpg s PRO 811 N -3.46 4.24 0.59 -0.60 0.04 -1.26 -4.99 135.00 129.57 1wpg s PRO 811 Ca 0.79 2.30 -0.16 0.00 0.04 0.00 0.00 61.00 63.97 1wpg s PRO 811 Cb -0.33 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1wpg s PRO 811 CO 0.38 -0.53 1.07 -1.25 0.04 0.00 0.00 177.00 176.70 1wpg s PRO 812 N 0.74 3.28 0.74 0.56 0.04 -1.26 -5.03 135.00 134.07 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 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.13 1wpg s PRO 812 CO 0.34 -0.85 1.07 -0.51 0.04 0.00 0.00 177.00 177.10 1wpg s ASP 813 N -2.63 4.93 -0.08 6.66 1.01 -1.26 -5.00 116.67 120.30 1wpg s ASP 813 Ca 0.65 1.59 -0.17 0.00 0.71 0.00 0.00 52.55 55.34 1wpg s ASP 813 Cb -0.17 -2.39 -0.29 0.00 1.01 0.00 0.00 42.92 41.07 1wpg s ASP 813 CO 0.36 -1.73 0.67 -0.07 0.21 0.00 0.00 175.17 174.61 1wpg h LEU 814 N -0.92 0.46 -0.96 1.23 3.38 -2.06 -3.32 115.31 113.12 1wpg h LEU 814 Ca -0.45 -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 41.83 1wpg h LEU 814 CO 0.56 1.60 0.00 -0.90 0.09 0.00 0.00 178.44 179.79 1wpg n ASP 815 N -3.91 1.09 -0.18 -0.43 5.75 -1.26 -4.25 116.55 113.36 1wpg n ASP 815 Ca -0.22 -2.05 0.08 0.00 -0.01 0.00 0.00 54.79 52.59 1wpg n ASP 815 Cb 0.92 -0.41 0.38 0.00 -1.03 0.00 0.00 41.12 40.97 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 0.26 0.97 -0.54 2.12 2.10 -1.98 -0.88 117.51 119.57 1wpg h ILE 816 Ca 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1wpg h ILE 816 Cb 0.49 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 1wpg h ILE 816 CO 0.03 0.13 0.00 0.23 -1.08 0.00 0.00 178.15 177.45 1wpg n MET 817 N -4.49 3.88 -0.03 2.19 2.81 -1.26 -3.79 117.12 116.42 1wpg n MET 817 Ca 0.12 -2.63 0.01 0.00 -1.81 0.00 0.00 57.70 53.39 1wpg n MET 817 Cb 0.29 -1.99 0.03 0.00 -0.71 0.00 0.00 33.22 30.84 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 0.78 2.03 -4.57 7.83 9.92 -0.34 -3.93 116.55 128.28 1wpg n ASP 818 Ca 0.23 -1.84 -0.28 0.00 -0.53 0.00 0.00 54.79 52.38 1wpg n ASP 818 Cb 0.93 -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 -0.86 2.05 0.93 -1.24 0.52 -1.17 -4.92 118.95 114.25 1wpg s ARG 819 Ca 0.05 -1.20 -0.12 0.00 -0.52 0.00 0.00 55.73 53.94 1wpg s ARG 819 Cb 0.03 -2.19 0.15 0.00 0.52 0.00 0.00 34.95 33.45 1wpg s ARG 819 CO 0.04 0.46 1.11 -1.25 0.02 0.00 0.00 175.30 175.67 1wpg s PRO 820 N -2.62 1.03 0.56 3.54 0.04 -1.26 -4.53 135.00 131.75 1wpg s PRO 820 Ca 0.23 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.55 1wpg s PRO 820 Cb -0.09 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1wpg s PRO 820 CO 0.14 -2.32 1.29 -2.14 0.04 0.00 0.00 177.00 174.02 1wpg s PRO 821 N -5.11 3.08 0.41 0.56 0.02 -1.25 -4.99 135.00 127.72 1wpg s PRO 821 Ca 0.64 2.06 -0.23 0.00 0.02 0.00 0.00 61.00 63.49 1wpg s PRO 821 Cb -0.16 -2.13 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 1wpg s PRO 821 CO 0.55 -1.19 0.99 1.03 -0.33 0.00 0.00 177.00 178.06 1wpg s ARG 822 N -3.05 4.21 0.31 5.54 1.81 -1.26 -4.99 118.95 121.51 1wpg s ARG 822 Ca 0.74 1.29 -0.29 0.00 -1.72 0.00 0.00 55.73 55.75 1wpg s ARG 822 Cb -0.36 -2.37 -0.10 0.00 -0.45 0.00 0.00 34.95 31.66 1wpg s ARG 822 CO 0.41 -0.06 1.31 0.45 -0.68 0.00 0.00 175.30 176.73 1wpg s SER 823 N -1.89 6.80 0.53 0.23 0.15 -1.26 -4.89 113.70 113.36 1wpg s SER 823 Ca 0.60 2.64 0.28 0.00 0.70 0.00 0.00 55.95 60.16 1wpg s SER 823 Cb -0.15 -2.64 1.49 0.00 -1.71 0.00 0.00 66.02 63.01 1wpg s SER 823 CO 0.20 -0.53 2.09 -0.65 1.20 0.00 0.00 173.24 175.54 1wpg h PRO 824 N 3.78 0.00 -0.15 5.44 0.11 -1.92 -2.42 132.00 136.84 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 0.68 0.10 0.00 1.63 -0.21 0.00 0.00 178.00 180.20 1wpg n LYS 825 N -3.64 1.88 -1.62 1.05 4.76 -1.26 -4.85 118.16 114.48 1wpg n LYS 825 Ca -0.02 -1.31 -0.43 0.00 -2.87 0.00 0.00 58.31 53.68 1wpg n LYS 825 Cb 0.22 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 1wpg n LYS 825 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wpg s GLU 826 N -1.82 3.32 0.41 1.97 2.12 -0.91 -4.94 118.70 118.85 1wpg s GLU 826 Ca 0.34 2.15 -0.25 0.00 0.36 0.00 0.00 54.97 57.57 1wpg s GLU 826 Cb 0.19 -4.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.16 1wpg s GLU 826 CO 0.29 -1.89 1.22 -1.25 -0.54 0.00 0.00 175.26 173.09 1wpg s PRO 827 N 6.00 3.99 0.20 4.30 0.04 -1.26 -4.95 135.00 143.31 1wpg s PRO 827 Ca 0.98 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 63.92 1wpg s PRO 827 Cb -0.35 -2.68 0.13 0.00 0.04 0.00 0.00 34.50 31.64 1wpg s PRO 827 CO 0.36 -0.41 1.59 -0.07 0.04 0.00 0.00 177.00 178.52 1wpg h LEU 828 N 2.60 0.83 -7.51 -3.56 3.38 -1.99 -3.42 115.31 105.64 1wpg h LEU 828 Ca -0.49 -0.32 -0.51 0.00 0.09 0.00 0.00 57.88 56.65 1wpg h LEU 828 Cb 1.24 -0.23 -0.38 0.00 0.09 0.00 0.00 40.66 41.38 1wpg h LEU 828 CO 0.62 1.05 -0.78 -0.63 0.09 0.00 0.00 178.44 178.79 1wpg s ILE 829 N -4.55 0.74 0.12 1.22 1.01 -1.26 -5.03 121.20 113.45 1wpg s ILE 829 Ca -0.10 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 59.98 1wpg s ILE 829 Cb 0.13 -0.96 0.07 0.00 0.01 0.00 0.00 42.46 41.71 1wpg s ILE 829 CO 0.85 0.13 0.79 -0.55 0.00 0.00 0.00 174.94 176.15 1wpg s SER 830 N 1.80 -0.38 1.03 3.58 0.15 -1.26 -4.82 113.70 113.80 1wpg s SER 830 Ca 0.02 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.50 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 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1wpg n GLY 831 N -0.36 2.44 0.31 9.45 0.00 -1.26 -2.82 105.19 112.94 1wpg n GLY 831 Ca -0.10 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 0.07 0.00 1.61 2.91 -2.00 0.21 115.95 118.76 1wpg h TRP 832 Ca 0.00 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.97 1wpg h TRP 832 Cb 0.00 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 1wpg h TRP 832 CO 0.00 0.04 -0.27 1.25 -1.03 0.00 0.00 178.44 178.43 1wpg h LEU 833 N 0.07 0.00 0.38 0.65 5.85 -1.94 0.16 115.31 120.48 1wpg h LEU 833 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1wpg h LEU 833 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1wpg h LEU 833 CO -0.01 0.27 -0.18 0.15 -0.34 0.00 0.00 178.44 178.33 1wpg h PHE 834 N 0.00 -0.47 -0.57 1.25 3.57 -1.00 -1.14 116.94 118.58 1wpg h PHE 834 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1wpg h PHE 834 Cb 0.80 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1wpg h PHE 834 CO 0.00 -0.18 0.32 0.35 -2.23 0.00 0.00 178.31 176.57 1wpg h PHE 835 N -1.03 0.60 0.09 0.41 3.57 -1.46 0.56 116.94 119.68 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 39.02 1wpg h PHE 835 CO 0.02 0.32 -0.29 -0.09 -2.23 0.00 0.00 178.31 176.04 1wpg h ARG 836 N 0.63 -0.47 0.00 1.11 2.43 -0.73 0.34 114.38 117.68 1wpg h ARG 836 Ca 0.24 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1wpg h ARG 836 Cb 0.09 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1wpg h ARG 836 CO -0.13 -0.32 -0.09 1.88 -1.51 0.00 0.00 179.97 179.80 1wpg h TYR 837 N -0.49 0.00 -0.38 2.20 0.99 -0.84 -1.13 116.97 117.32 1wpg h TYR 837 Ca 0.04 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.62 1wpg h TYR 837 Cb 0.54 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.26 1wpg h TYR 837 CO -0.28 0.09 -0.34 1.98 -0.00 0.00 0.00 178.16 179.61 1wpg h MET 838 N 0.00 0.87 -0.03 4.88 4.05 0.19 -1.95 114.93 122.95 1wpg h MET 838 Ca -0.00 -0.43 -0.08 0.00 -0.28 0.00 0.00 59.70 58.91 1wpg h MET 838 Cb 0.50 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1wpg h MET 838 CO 0.01 1.08 -0.28 0.00 0.23 0.00 0.00 176.91 177.94 1wpg h ALA 839 N 0.88 0.07 -0.32 0.39 0.00 0.27 -3.00 119.26 117.56 1wpg h ALA 839 Ca 0.07 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1wpg h ALA 839 Cb 0.91 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1wpg h ALA 839 CO 0.08 0.12 0.22 0.82 0.00 0.00 0.00 179.25 180.50 1wpg h ILE 840 N -0.34 0.90 -0.16 0.00 1.08 -1.22 -1.88 117.51 115.88 1wpg h ILE 840 Ca -0.03 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.31 1wpg h ILE 840 Cb 0.98 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1wpg h ILE 840 CO 0.06 0.02 -0.25 1.23 -0.69 0.00 0.00 178.15 178.52 1wpg h GLY 841 N 0.13 0.50 1.01 5.37 0.00 -1.34 -2.85 103.07 105.88 1wpg h GLY 841 Ca 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1wpg h GLY 841 CO -0.02 0.50 0.46 -1.33 0.00 0.00 0.00 176.54 176.15 1wpg h GLY 842 N 0.09 1.12 0.71 4.60 0.00 -1.22 -1.50 103.07 106.87 1wpg h GLY 842 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1wpg h GLY 842 CO 0.06 0.46 -0.35 -1.82 0.00 0.00 0.00 176.54 174.89 1wpg h TYR 843 N 1.05 -0.93 -0.23 5.60 3.20 -1.40 -0.52 116.97 123.75 1wpg h TYR 843 Ca 0.28 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1wpg h TYR 843 Cb -0.03 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1wpg h TYR 843 CO -0.01 -0.50 0.17 0.28 -1.64 0.00 0.00 178.16 176.46 1wpg h VAL 844 N -0.77 0.85 -0.01 1.81 2.07 -1.38 0.49 116.25 119.31 1wpg h VAL 844 Ca -0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 1wpg h VAL 844 Cb 0.67 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1wpg h VAL 844 CO -0.02 0.00 -0.67 1.23 0.02 0.00 0.00 177.57 178.14 1wpg h GLY 845 N 0.00 0.05 0.77 2.17 0.00 -0.30 -2.65 103.07 103.10 1wpg h GLY 845 Ca 0.11 -0.07 -0.27 0.00 0.00 0.00 0.00 47.33 47.11 1wpg h GLY 845 CO -0.00 0.06 -1.77 0.00 0.00 0.00 0.00 176.54 174.83 1wpg n ALA 846 N -2.42 1.65 0.09 3.60 0.00 -0.26 -3.07 120.51 120.09 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 0.66 -0.75 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 1.14 0.98 0.00 0.00 0.00 -0.12 0.22 119.26 121.48 1wpg h ALA 847 Ca -0.30 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1wpg h ALA 847 Cb 1.92 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1wpg h ALA 847 CO 0.06 0.66 -0.08 1.79 0.00 0.00 0.00 179.25 181.68 1wpg h THR 848 N 0.19 1.68 0.00 0.00 1.35 -1.62 -1.60 112.91 112.91 1wpg h THR 848 Ca 0.01 -2.29 -0.02 0.00 -0.55 0.00 0.00 66.41 63.56 1wpg h THR 848 Cb 0.96 3.20 -0.00 0.00 -1.73 0.00 0.00 68.15 70.58 1wpg h THR 848 CO 0.08 0.57 -0.10 0.58 -0.25 0.00 0.00 175.52 176.40 1wpg h VAL 849 N -1.00 0.41 0.00 6.82 2.07 -1.59 -2.47 116.25 120.49 1wpg h VAL 849 Ca -0.02 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1wpg h VAL 849 Cb 0.98 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1wpg h VAL 849 CO -0.01 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 178.89 1wpg h GLY 850 N 1.09 0.00 1.76 2.17 0.00 -0.62 -2.65 103.07 104.82 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 0.09 0.00 0.00 0.00 0.00 176.54 176.65 1wpg h ALA 851 N -0.62 1.07 0.12 3.60 0.00 -1.24 0.48 119.26 122.66 1wpg h ALA 851 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1wpg h ALA 851 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wpg h ALA 851 CO -0.00 -0.07 -1.50 0.00 0.00 0.00 0.00 179.25 177.68 1wpg h ALA 852 N 1.76 0.21 0.00 0.00 0.00 -1.50 -3.29 119.26 116.43 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 0.19 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wpg h ALA 852 CO 0.00 0.89 -0.48 0.00 0.00 0.00 0.00 179.25 179.66 1wpg h ALA 853 N -0.04 0.91 0.15 0.00 0.00 -0.66 -3.22 119.26 116.40 1wpg h ALA 853 Ca -0.32 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1wpg h ALA 853 Cb 1.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1wpg h ALA 853 CO 0.06 0.60 -0.12 2.35 0.00 0.00 0.00 179.25 182.14 1wpg h TRP 854 N 0.00 -0.32 -0.79 0.00 7.01 -0.26 -2.17 115.95 119.42 1wpg h TRP 854 Ca -0.00 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.11 1wpg h TRP 854 Cb 1.06 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.18 1wpg h TRP 854 CO 0.00 -0.19 0.52 2.35 -2.79 0.00 0.00 178.44 178.33 1wpg h TRP 855 N -0.29 0.73 0.00 2.65 7.01 -1.62 0.23 115.95 124.66 1wpg h TRP 855 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 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 -0.11 0.32 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 -0.85 -3.80 117.46 111.98 1wpg n PHE 856 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1wpg n PHE 856 Cb 0.38 -0.48 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 -1.48 0.00 -0.37 -1.08 2.81 -0.07 -0.40 117.12 116.53 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 0.22 -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 -2.99 0.96 -3.39 2.03 4.02 0.62 -4.07 117.16 114.33 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 -0.93 -0.72 0.00 -1.13 -4.97 121.76 116.47 1wpg s ALA 859 Ca 0.46 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1wpg s ALA 859 Cb 0.24 -2.44 0.16 0.00 0.00 0.00 0.00 23.12 21.08 1wpg s ALA 859 CO 0.30 0.48 2.39 0.39 0.00 0.00 0.00 175.76 179.32 1wpg n GLU 860 N -0.20 3.78 0.00 0.00 1.02 -1.26 -3.79 120.64 120.19 1wpg n GLU 860 Ca 0.01 -3.29 0.00 0.00 -0.02 0.00 0.00 57.16 53.86 1wpg n GLU 860 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.88 0.00 0.00 1.62 8.00 -1.26 -5.02 116.55 120.77 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 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.64 3.44 0.44 0.00 -1.25 -5.15 105.19 101.04 1wpg n GLY 862 Ca 0.00 0.80 -0.36 0.00 0.00 0.00 0.00 46.02 46.46 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 0.25 -0.66 1.61 -0.02 -1.25 -4.48 135.00 130.45 1wpg n PRO 863 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1wpg n PRO 863 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.72 4.62 3.59 -1.23 0.00 0.46 -4.86 105.19 109.49 1wpg n GLY 864 Ca 0.09 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.47 3.42 -1.93 1.61 1.01 -1.26 -4.82 120.40 116.96 1wpg s VAL 865 Ca 0.00 0.39 0.16 0.00 0.00 0.00 0.00 61.98 62.53 1wpg s VAL 865 Cb 0.00 -3.68 0.42 0.00 0.00 0.00 0.00 36.38 33.13 1wpg s VAL 865 CO 0.00 -0.50 1.36 0.35 0.00 0.00 0.00 175.10 176.31 1wpg n THR 866 N 7.40 0.07 -0.93 3.92 -2.24 -1.26 -2.16 114.28 119.08 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 2.10 -2.47 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 -0.53 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 0.46 -1.02 1.27 -0.72 -0.00 -0.92 -4.88 115.22 109.42 1wpg n HIS 868 Ca 0.29 0.12 0.09 0.00 0.46 0.00 0.00 57.72 58.68 1wpg n HIS 868 Cb 1.22 -3.51 0.33 0.00 -0.12 0.00 0.00 29.99 27.91 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 -2.83 1.63 0.27 1.57 1.13 -1.25 -3.54 117.38 114.37 1wpg n GLN 869 Ca -0.17 -0.96 0.18 0.00 -1.94 0.00 0.00 57.00 54.11 1wpg n GLN 869 Cb 0.64 -1.34 0.89 0.00 0.11 0.00 0.00 30.24 30.54 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 1.83 0.00 -2.50 1.08 5.85 -1.90 -1.70 115.31 117.98 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 41.43 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 0.19 -0.62 1.05 2.02 -1.80 -2.29 112.91 111.46 1wpg h THR 871 Ca 0.00 -0.16 -0.35 0.00 0.77 0.00 0.00 66.41 66.67 1wpg h THR 871 Cb 0.17 1.13 -0.20 0.00 -1.74 0.00 0.00 68.15 67.51 1wpg h THR 871 CO 0.00 0.02 0.16 1.41 0.37 0.00 0.00 175.52 177.48 1wpg n HIS 872 N -3.31 1.95 0.24 3.16 8.25 -0.64 -4.62 115.22 120.25 1wpg n HIS 872 Ca -0.02 -1.85 0.15 0.00 -0.26 0.00 0.00 57.72 55.74 1wpg n HIS 872 Cb 0.13 -0.70 0.78 0.00 1.12 0.00 0.00 29.99 31.33 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 1.16 0.00 -0.22 4.41 -5.15 -1.58 -1.21 116.94 114.35 1wpg h PHE 873 Ca 0.39 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.03 1wpg h PHE 873 Cb 1.93 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.10 1wpg h PHE 873 CO 1.23 0.00 -0.35 0.52 -2.00 0.00 0.00 178.31 177.71 1wpg h MET 874 N 0.00 0.64 -2.29 6.09 2.86 -1.87 -3.29 114.93 117.07 1wpg h MET 874 Ca 0.00 -0.38 -0.39 0.00 -2.06 0.00 0.00 59.70 56.87 1wpg h MET 874 Cb 0.14 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1wpg h MET 874 CO 0.00 1.00 0.96 1.04 1.06 0.00 0.00 176.91 180.97 1wpg n GLN 875 N -4.26 2.65 -0.02 1.72 6.02 -0.46 -4.15 117.38 118.88 1wpg n GLN 875 Ca -0.05 -1.64 -0.04 0.00 -0.01 0.00 0.00 57.00 55.25 1wpg n GLN 875 Cb 0.51 -2.26 -0.01 0.00 1.02 0.00 0.00 30.24 29.49 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 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1wpg h THR 877 Cb 0.47 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1wpg h THR 877 CO 0.00 0.17 -0.13 -0.08 0.37 0.00 0.00 175.52 175.85 1wpg h GLU 878 N 0.02 -0.35 -2.69 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 57.55 1wpg h GLU 878 Cb 0.31 0.08 -0.38 0.00 -0.16 0.00 0.00 28.75 28.60 1wpg h GLU 878 CO 0.02 -0.24 -0.24 -0.25 -1.18 0.00 0.00 179.01 177.13 1wpg n ASP 879 N -3.82 4.22 0.05 1.04 8.00 -1.21 -4.94 116.55 119.90 1wpg n ASP 879 Ca -0.05 -3.34 -0.11 0.00 0.71 0.00 0.00 54.79 52.00 1wpg n ASP 879 Cb 0.15 -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 4.96 -0.36 0.00 1.24 -0.00 -1.37 -2.21 115.15 117.41 1wpg h HIS 880 Ca 0.18 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1wpg h HIS 880 Cb 0.70 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1wpg h HIS 880 CO 0.77 -0.21 0.00 -0.35 -0.00 0.00 0.00 177.93 178.14 1wpg n PRO 881 N -5.27 0.15 0.00 5.26 -0.04 -1.26 -3.46 135.00 130.38 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 0.19 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.69 0.54 8.25 -0.83 -4.70 115.22 114.85 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 1.50 0.00 4.41 3.01 -1.26 -4.99 117.46 120.13 1wpg n PHE 883 Ca 0.00 -2.34 0.00 0.00 1.01 0.00 0.00 57.45 56.12 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 -0.49 0.00 -0.46 -1.08 -0.58 -1.22 -5.00 120.64 111.81 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 4.04 1.15 3.79 0.62 0.00 -1.26 -5.07 105.19 108.46 1wpg n GLY 885 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.18 0.26 0.99 2.34 -1.26 -5.14 118.68 115.69 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 2.31 -0.11 0.00 -0.56 0.00 0.00 46.19 47.83 1wpg s LEU 886 CO 0.00 -1.03 1.57 -0.62 -1.06 0.00 0.00 176.35 175.21 1wpg s ASP 887 N -2.96 6.46 0.00 1.48 -1.08 -1.26 -4.88 116.67 114.43 1wpg s ASP 887 Ca 0.13 2.84 0.25 0.00 -0.52 0.00 0.00 52.55 55.24 1wpg s ASP 887 Cb -0.03 -2.62 1.20 0.00 -1.46 0.00 0.00 42.92 40.01 1wpg s ASP 887 CO 0.04 -0.86 1.82 0.00 0.52 0.00 0.00 175.17 176.69 1wpg n GLU 889 N -1.35 1.01 0.24 0.00 2.13 -1.26 -3.14 120.64 118.27 1wpg n GLU 889 Ca 0.10 -0.01 0.13 0.00 0.66 0.00 0.00 57.16 58.04 1wpg n GLU 889 Cb 0.22 -1.38 0.50 0.00 0.27 0.00 0.00 31.44 31.06 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 0.02 0.24 0.18 6.31 6.09 -1.91 -2.95 117.51 125.48 1wpg h ILE 890 Ca 0.00 -0.88 -0.30 0.00 -1.37 0.00 0.00 64.86 62.31 1wpg h ILE 890 Cb 0.00 1.72 0.02 0.00 0.47 0.00 0.00 36.82 39.03 1wpg h ILE 890 CO 0.00 0.10 -1.34 -0.26 -3.07 0.00 0.00 178.15 173.58 1wpg h PHE 891 N 0.00 0.78 -0.06 2.19 0.04 -1.82 -3.13 116.94 114.94 1wpg h PHE 891 Ca -0.00 -0.55 0.00 0.00 2.80 0.00 0.00 57.97 60.22 1wpg h PHE 891 Cb 0.71 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.82 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 -3.65 1.35 -2.33 1.51 1.02 -1.12 -4.86 120.64 112.55 1wpg n GLU 892 Ca -0.13 -0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 56.30 1wpg n GLU 892 Cb 1.05 -1.51 -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 -1.27 3.46 -2.00 0.62 0.00 -1.18 -4.91 121.76 116.49 1wpg s ALA 893 Ca 0.05 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1wpg s ALA 893 Cb 0.04 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1wpg s ALA 893 CO 0.02 -0.48 0.84 -0.35 0.00 0.00 0.00 175.76 175.79 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 -1.02 -0.13 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.79 0.54 3.07 -1.90 -3.20 114.58 112.30 1wpg h GLU 895 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 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 0.99 0.36 -1.00 -1.40 0.00 0.00 179.01 177.96 1wpg h PRO 896 N -1.00 1.15 -0.78 2.33 0.13 -1.88 -2.60 132.00 129.35 1wpg h PRO 896 Ca -0.04 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 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 0.91 0.43 0.52 -0.23 0.00 0.00 178.00 179.60 1wpg h MET 897 N 1.13 1.09 0.00 0.86 2.86 -1.76 -0.51 114.93 118.59 1wpg h MET 897 Ca 0.27 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1wpg h MET 897 Cb 0.15 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1wpg h MET 897 CO -0.03 0.81 -0.05 1.15 1.06 0.00 0.00 176.91 179.85 1wpg h THR 898 N 1.08 0.84 -0.12 2.22 2.02 -1.49 0.70 112.91 118.15 1wpg h THR 898 Ca 0.27 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 67.07 1wpg h THR 898 Cb 0.04 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1wpg h THR 898 CO -0.04 0.05 -0.72 0.24 0.37 0.00 0.00 175.52 175.41 1wpg h MET 899 N 0.00 0.58 0.00 6.66 2.86 -0.76 -1.88 114.93 122.39 1wpg h MET 899 Ca -0.00 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 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 1.08 -0.00 0.00 1.06 0.00 0.00 176.91 179.05 1wpg h ALA 900 N 0.80 -0.00 -0.40 6.32 0.00 0.01 -2.78 119.26 123.21 1wpg h ALA 900 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1wpg h ALA 900 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wpg h ALA 900 CO 0.14 -0.27 0.23 1.25 0.00 0.00 0.00 179.25 180.60 1wpg h LEU 901 N -0.47 0.38 -0.90 0.00 5.85 -1.01 -1.09 115.31 118.07 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 0.47 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1wpg h LEU 901 CO 0.00 0.27 0.54 0.28 -0.34 0.00 0.00 178.44 179.20 1wpg h SER 902 N 0.47 0.80 -0.18 1.25 0.02 -1.37 0.26 113.55 114.81 1wpg h SER 902 Ca 0.16 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1wpg h SER 902 Cb 0.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1wpg h SER 902 CO -0.07 0.46 -0.03 0.58 -1.14 0.00 0.00 176.83 176.62 1wpg h VAL 903 N 0.91 1.28 0.06 2.27 2.07 -1.15 -0.84 116.25 120.84 1wpg h VAL 903 Ca 0.43 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1wpg h VAL 903 Cb 0.38 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1wpg h VAL 903 CO -0.24 0.29 -0.26 0.25 0.02 0.00 0.00 177.57 177.63 1wpg h LEU 904 N 0.06 -0.76 -0.32 2.57 5.85 -0.10 0.16 115.31 122.78 1wpg h LEU 904 Ca 0.05 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1wpg h LEU 904 Cb 0.46 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1wpg h LEU 904 CO 0.02 -0.34 0.14 0.58 -0.34 0.00 0.00 178.44 178.49 1wpg h VAL 905 N -0.44 0.96 -0.69 1.05 2.07 -0.51 -0.97 116.25 117.72 1wpg h VAL 905 Ca 0.05 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1wpg h VAL 905 Cb 0.49 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1wpg h VAL 905 CO -0.19 0.05 0.31 0.74 0.02 0.00 0.00 177.57 178.50 1wpg h THR 906 N 0.29 1.24 -0.15 2.57 2.02 -0.87 -2.04 112.91 115.96 1wpg h THR 906 Ca 0.14 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1wpg h THR 906 Cb 0.08 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1wpg h THR 906 CO -0.11 0.29 0.07 0.40 0.37 0.00 0.00 175.52 176.53 1wpg h ILE 907 N 0.97 1.13 -0.23 3.11 2.04 -0.36 -2.65 117.51 121.51 1wpg h ILE 907 Ca 0.23 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1wpg h ILE 907 Cb 0.16 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1wpg h ILE 907 CO -0.03 0.12 -0.04 -0.33 0.00 0.00 0.00 178.15 177.88 1wpg h GLU 908 N 0.12 0.02 -0.47 2.37 4.39 -1.00 0.22 114.58 120.23 1wpg h GLU 908 Ca 0.05 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.88 1wpg h GLU 908 Cb 0.13 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1wpg h GLU 908 CO -0.01 0.01 0.34 0.52 -1.16 0.00 0.00 179.01 178.71 1wpg h MET 909 N 0.02 0.03 0.14 2.33 2.86 -1.28 0.50 114.93 119.53 1wpg h MET 909 Ca 0.11 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.44 1wpg h MET 909 Cb 0.16 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 31.84 1wpg h MET 909 CO -0.22 0.02 -1.29 0.00 1.06 0.00 0.00 176.91 176.48 1wpg n ASN 911 N -3.76 0.54 0.07 0.00 5.15 0.60 -2.01 115.26 115.84 1wpg n ASN 911 Ca -0.14 0.61 -0.14 0.00 -0.60 0.00 0.00 54.58 54.31 1wpg n ASN 911 Cb 1.01 -0.73 -0.06 0.00 -0.53 0.00 0.00 39.78 39.47 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 2.38 0.31 0.00 5.20 0.00 -0.04 -2.35 119.26 124.76 1wpg h ALA 912 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1wpg h ALA 912 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wpg h ALA 912 CO 0.00 0.81 -0.32 -0.07 0.00 0.00 0.00 179.25 179.67 1wpg h LEU 913 N 0.23 0.00 -0.00 0.00 3.38 -1.37 -2.74 115.31 114.80 1wpg h LEU 913 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wpg h LEU 913 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1wpg h LEU 913 CO 0.17 0.32 0.00 0.59 0.09 0.00 0.00 178.44 179.61 1wpg n ASN 914 N -3.25 0.51 -0.09 -0.43 5.03 -0.89 -3.12 115.26 113.02 1wpg n ASN 914 Ca 0.02 0.55 0.12 0.00 0.87 0.00 0.00 54.58 56.14 1wpg n ASN 914 Cb 0.60 -0.69 0.30 0.00 -1.02 0.00 0.00 39.78 38.97 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 -1.98 0.69 0.13 6.41 7.64 -0.90 -3.95 113.62 121.67 1wpg n SER 915 Ca 0.06 -0.49 0.09 0.00 1.01 0.00 0.00 58.87 59.54 1wpg n SER 915 Cb 0.39 0.21 0.58 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 0.45 0.15 -8.15 -3.43 3.38 -1.59 -3.43 115.31 102.68 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 0.10 -0.63 -0.55 0.09 0.00 0.00 178.44 177.45 1wpg s SER 917 N -6.78 0.41 -0.16 -0.43 0.15 -1.25 -4.99 113.70 100.65 1wpg s SER 917 Ca -0.06 -0.90 -0.18 0.00 0.70 0.00 0.00 55.95 55.51 1wpg s SER 917 Cb 0.18 0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 64.55 1wpg s SER 917 CO 0.70 -0.60 0.29 -0.08 1.20 0.00 0.00 173.24 174.76 1wpg h GLU 918 N 3.20 0.00 -0.04 5.44 4.81 -1.84 -3.42 114.58 122.74 1wpg h GLU 918 Ca -0.34 0.00 -0.10 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 0.62 0.65 -0.73 0.09 -0.73 0.00 0.00 179.01 178.92 1wpg n ASN 919 N -4.58 1.58 -4.27 1.04 4.13 -1.26 -4.96 115.26 106.93 1wpg n ASN 919 Ca -0.15 -3.15 -0.33 0.00 1.68 0.00 0.00 54.58 52.64 1wpg n ASN 919 Cb 0.42 -0.44 -0.16 0.00 -1.54 0.00 0.00 39.78 38.07 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 -2.08 3.18 0.49 3.52 -1.52 -1.26 -4.79 119.66 117.20 1wpg s GLN 920 Ca 0.37 -0.79 -0.22 0.00 -1.95 0.00 0.00 55.36 52.76 1wpg s GLN 920 Cb 0.38 -2.47 -0.07 0.00 -0.22 0.00 0.00 33.01 30.63 1wpg s GLN 920 CO -0.10 0.14 1.19 0.45 -0.25 0.00 0.00 175.29 176.71 1wpg s SER 921 N 0.48 5.93 0.53 5.90 0.15 -1.26 -4.72 113.70 120.71 1wpg s SER 921 Ca -0.13 2.35 0.35 0.00 0.70 0.00 0.00 55.95 59.22 1wpg s SER 921 Cb -0.17 -2.60 1.89 0.00 -1.71 0.00 0.00 66.02 63.43 1wpg s SER 921 CO 0.05 -1.09 2.06 -0.07 1.20 0.00 0.00 173.24 175.40 1wpg h LEU 922 N 1.77 0.00 -0.98 3.45 4.07 -1.92 0.42 115.31 122.12 1wpg h LEU 922 Ca -0.50 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.36 1wpg h LEU 922 Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 1wpg h LEU 922 CO 0.59 0.00 -0.49 0.24 -1.08 0.00 0.00 178.44 177.70 1wpg h MET 923 N 0.00 0.00 0.00 1.13 2.86 -1.97 -1.73 114.93 115.22 1wpg h MET 923 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1wpg h MET 923 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1wpg h MET 923 CO 0.00 0.49 -0.80 -0.09 1.06 0.00 0.00 176.91 177.58 1wpg h ARG 924 N 0.00 0.00 -3.32 1.72 9.65 -0.59 -3.42 114.38 118.42 1wpg h ARG 924 Ca -0.00 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 58.22 1wpg h ARG 924 Cb 0.91 0.00 -0.39 0.00 -1.39 0.00 0.00 29.97 29.09 1wpg h ARG 924 CO 0.06 0.97 -0.48 1.41 2.80 0.00 0.00 179.97 184.74 1wpg s MET 925 N -2.30 2.44 0.54 0.20 1.75 -0.30 -5.04 119.30 116.59 1wpg s MET 925 Ca -0.25 -2.92 -0.18 0.00 -1.25 0.00 0.00 55.69 51.10 1wpg s MET 925 Cb 0.03 -3.53 -0.12 0.00 2.84 0.00 0.00 34.83 34.05 1wpg s MET 925 CO 0.61 -1.20 0.22 -2.30 -0.65 0.00 0.00 175.02 171.70 1wpg n PRO 926 N 2.74 0.27 0.30 4.11 -0.02 -0.65 -4.39 135.00 137.35 1wpg n PRO 926 Ca 0.12 0.11 0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1wpg n PRO 926 Cb 0.35 -1.38 0.96 0.00 -0.02 0.00 0.00 33.50 33.41 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 -2.27 132.00 128.39 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 0.00 178.00 175.60 1wpg n TRP 928 N -3.38 0.21 0.21 0.65 2.14 -1.26 -3.71 117.44 112.28 1wpg n TRP 928 Ca -0.02 -0.10 0.05 0.00 2.07 0.00 0.00 57.50 59.50 1wpg n TRP 928 Cb 0.15 0.00 0.44 0.00 -0.81 0.00 0.00 31.31 31.09 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 1.12 1.05 -3.33 -1.67 2.07 -1.74 -3.33 116.25 110.42 1wpg h VAL 929 Ca 0.00 -1.10 -0.64 0.00 0.82 0.00 0.00 66.70 65.78 1wpg h VAL 929 Cb 0.25 1.62 -0.41 0.00 -1.52 0.00 0.00 31.29 31.24 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 -6.70 4.25 0.33 0.57 3.84 -1.24 -4.78 114.94 111.22 1wpg s ASN 930 Ca -0.02 -3.00 0.08 0.00 0.21 0.00 0.00 52.86 50.12 1wpg s ASN 930 Cb 0.14 -1.58 0.80 0.00 -0.55 0.00 0.00 41.25 40.06 1wpg s ASN 930 CO 0.69 -0.23 1.82 0.40 -2.79 0.00 0.00 177.10 176.98 1wpg h ILE 931 N 5.43 0.75 0.00 -5.21 1.08 -1.85 0.73 117.51 118.44 1wpg h ILE 931 Ca -0.07 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1wpg h ILE 931 Cb 0.89 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1wpg h ILE 931 CO 0.67 0.13 -0.08 -0.50 -0.69 0.00 0.00 178.15 177.67 1wpg h TRP 932 N 0.72 0.00 -0.15 1.37 4.06 -1.93 -2.10 115.95 117.92 1wpg h TRP 932 Ca 0.53 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.31 1wpg h TRP 932 Cb 0.87 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.04 1wpg h TRP 932 CO -0.00 0.08 -0.54 1.25 -3.56 0.00 0.00 178.44 175.67 1wpg h LEU 933 N 0.00 0.74 0.44 -4.49 5.85 -1.12 -1.91 115.31 114.82 1wpg h LEU 933 Ca -0.00 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 1wpg h LEU 933 Cb 0.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1wpg h LEU 933 CO 0.01 1.22 -0.21 -0.07 -0.34 0.00 0.00 178.44 179.05 1wpg h LEU 934 N 0.29 -0.50 -2.54 2.25 3.38 -1.35 -0.31 115.31 116.52 1wpg h LEU 934 Ca -0.02 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wpg h LEU 934 Cb 1.17 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wpg h LEU 934 CO 0.11 -0.30 0.12 1.23 0.09 0.00 0.00 178.44 179.69 1wpg h GLY 935 N -0.67 0.00 0.33 0.83 0.00 -1.46 -1.52 103.07 100.58 1wpg h GLY 935 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1wpg h GLY 935 CO 0.10 0.00 -0.03 0.23 0.00 0.00 0.00 176.54 176.84 1wpg h SER 936 N 0.00 -0.08 -0.83 0.19 0.87 -0.39 -2.70 113.55 110.61 1wpg h SER 936 Ca 0.02 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 1wpg h SER 936 Cb 0.26 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1wpg h SER 936 CO -0.00 0.55 0.50 0.40 -0.53 0.00 0.00 176.83 177.75 1wpg h ILE 937 N -0.76 1.23 -0.57 2.23 2.04 -0.16 -1.90 117.51 119.62 1wpg h ILE 937 Ca -0.01 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1wpg h ILE 937 Cb 0.61 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1wpg h ILE 937 CO 0.02 0.25 0.11 0.00 0.00 0.00 0.00 178.15 178.52 1wpg h LEU 939 N 0.85 0.00 -0.01 0.00 5.85 -1.06 -1.28 115.31 119.67 1wpg h LEU 939 Ca 0.18 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.69 1wpg h LEU 939 Cb 0.35 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.39 1wpg h LEU 939 CO 0.00 0.52 -0.83 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 -0.26 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 -1.55 114.93 119.58 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 33.15 1wpg h MET 941 CO 0.16 1.10 -0.14 0.66 1.06 0.00 0.00 176.91 179.75 1wpg h SER 942 N 0.78 0.00 0.87 1.22 4.64 -1.29 -0.04 113.55 119.73 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 0.07 0.14 -0.39 0.18 -0.87 0.00 0.00 176.83 175.97 1wpg n LEU 943 N -4.12 0.53 0.09 5.97 4.77 -1.00 -2.77 117.00 120.48 1wpg n LEU 943 Ca -0.02 0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 1wpg n LEU 943 Cb 0.22 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1wpg n LEU 943 CO 0.34 -0.01 -0.37 -0.74 -1.33 0.00 0.00 177.39 175.28 1wpg h HIS 944 N 0.00 0.79 -0.12 -1.77 2.76 -0.02 -2.69 115.15 114.10 1wpg h HIS 944 Ca 0.00 -0.57 -0.08 0.00 -2.20 0.00 0.00 60.37 57.51 1wpg h HIS 944 Cb 0.63 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1wpg h HIS 944 CO 0.00 1.60 -0.30 0.74 -1.30 0.00 0.00 177.93 178.67 1wpg h PHE 945 N 0.04 0.24 -0.19 5.26 0.05 -1.36 -2.61 116.94 118.37 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 2.06 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 39.94 1wpg h PHE 945 CO 0.12 0.50 -0.45 1.25 -0.18 0.00 0.00 178.31 179.55 1wpg h LEU 946 N 0.19 0.51 -0.21 1.54 5.85 -1.56 -1.12 115.31 120.51 1wpg h LEU 946 Ca 0.03 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.51 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 0.89 0.00 0.00 -0.34 0.00 0.00 178.44 179.03 1wpg n ILE 947 N -4.00 0.04 -0.02 4.05 3.06 -1.00 -2.78 119.36 118.71 1wpg n ILE 947 Ca -0.02 -0.07 -0.04 0.00 -2.50 0.00 0.00 62.75 60.12 1wpg n ILE 947 Cb 0.53 -0.14 -0.02 0.00 0.54 0.00 0.00 39.64 40.56 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 1.84 -0.02 9.51 4.77 -0.99 -3.30 117.00 128.26 1wpg n LEU 948 Ca 0.12 0.01 -0.19 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 0.09 0.37 -0.03 1.88 -1.33 0.00 0.00 177.39 178.37 1wpg h TYR 949 N -0.08 0.27 -0.39 -1.77 -1.99 -1.32 -3.38 116.97 108.32 1wpg h TYR 949 Ca -0.11 -0.20 -0.08 0.00 2.00 0.00 0.00 58.73 60.34 1wpg h TYR 949 Cb 1.14 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.84 1wpg h TYR 949 CO -0.00 1.29 0.21 0.08 -0.00 0.00 0.00 178.16 179.73 1wpg s VAL 950 N -2.36 3.12 0.03 -2.88 1.01 -1.12 -4.82 120.40 113.38 1wpg s VAL 950 Ca -0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1wpg s VAL 950 Cb 0.01 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1wpg s VAL 950 CO 0.74 -0.25 0.24 -0.67 0.00 0.00 0.00 175.10 175.16 1wpg n ASP 951 N 17.78 -0.10 0.00 3.32 2.03 -1.26 0.52 116.55 138.84 1wpg n ASP 951 Ca 0.45 0.27 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1wpg n ASP 951 Cb 0.45 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -3.30 135.00 125.48 1wpg n PRO 952 Ca 0.02 0.19 -0.08 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 31.94 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 -1.13 1.44 0.24 2.45 4.77 0.19 -4.49 117.00 120.47 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 0.85 0.00 -2.33 0.00 0.00 43.42 41.48 1wpg n LEU 953 CO 0.00 -0.28 1.15 1.55 -1.33 0.00 0.00 177.39 178.49 1wpg h PRO 954 N -0.55 0.00 0.00 3.23 0.13 -1.54 0.36 132.00 133.63 1wpg h PRO 954 Ca -0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.88 1wpg h PRO 954 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1wpg h PRO 954 CO -0.06 0.00 -0.71 1.98 -0.23 0.00 0.00 178.00 178.98 1wpg h MET 955 N 0.00 0.00 0.09 0.86 4.05 -1.81 0.43 114.93 118.55 1wpg h MET 955 Ca 0.07 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.30 1wpg h MET 955 Cb 0.65 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1wpg h MET 955 CO -0.00 0.71 -0.93 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 -0.57 -3.31 117.51 118.71 1wpg h ILE 956 Ca -0.01 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1wpg h ILE 956 Cb 1.30 2.95 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 -4.18 0.07 -3.60 1.37 3.01 -0.40 -4.92 117.46 108.81 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 0.77 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 -2.39 -4.66 -1.08 4.81 -0.36 -4.85 118.16 109.19 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 -6.30 2.10 -0.30 3.14 1.43 0.14 -4.74 118.68 114.15 1wpg s LEU 959 Ca 0.34 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.61 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 0.36 0.62 1.70 2.20 -1.22 -4.63 119.74 115.00 1wpg s LYS 960 Ca 0.11 0.83 -0.18 0.00 -0.36 0.00 0.00 55.97 56.38 1wpg s LYS 960 Cb 0.01 0.49 -0.13 0.00 -1.51 0.00 0.00 37.83 36.69 1wpg s LYS 960 CO 0.08 -0.21 -0.06 0.00 -0.36 0.00 0.00 175.35 174.80 1wpg n ALA 961 N 5.21 -3.01 -2.41 3.13 0.00 -1.26 -4.81 120.51 117.36 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 4.21 2.26 1.17 0.00 2.34 -1.26 -5.06 118.68 122.34 1wpg s LEU 962 Ca 0.57 -0.67 -0.20 0.00 0.06 0.00 0.00 54.13 53.89 1wpg s LEU 962 Cb -0.42 -1.17 0.28 0.00 -0.56 0.00 0.00 46.19 44.33 1wpg s LEU 962 CO 0.66 0.18 1.19 1.51 -1.06 0.00 0.00 176.35 178.83 1wpg s ASP 963 N -1.70 1.24 0.11 1.48 1.47 -1.26 -4.76 116.67 113.24 1wpg s ASP 963 Ca 0.12 0.40 -0.24 0.00 1.18 0.00 0.00 52.55 54.01 1wpg s ASP 963 Cb -0.10 -0.48 -0.08 0.00 -0.34 0.00 0.00 42.92 41.92 1wpg s ASP 963 CO 0.04 -3.90 1.69 -0.07 0.68 0.00 0.00 175.17 173.61 1wpg h LEU 964 N -2.44 -0.32 -1.33 2.11 3.38 -2.01 -1.97 115.31 112.73 1wpg h LEU 964 Ca -0.43 0.05 0.13 0.00 0.09 0.00 0.00 57.88 57.72 1wpg h LEU 964 Cb 1.26 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1wpg h LEU 964 CO 0.29 -0.16 0.55 0.74 0.09 0.00 0.00 178.44 179.95 1wpg h THR 965 N -0.19 0.87 0.03 0.22 2.02 -1.99 -1.24 112.91 112.63 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 0.24 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1wpg h THR 965 CO -0.11 0.13 -0.01 1.56 0.37 0.00 0.00 175.52 177.45 1wpg h GLN 966 N 0.69 -0.04 -0.51 6.66 1.08 -1.73 -3.02 115.11 118.25 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 0.63 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 1wpg h GLN 966 CO -0.18 0.19 0.20 -1.49 -0.95 0.00 0.00 178.83 176.61 1wpg h TRP 967 N -0.26 0.73 0.00 2.96 4.06 -0.73 -0.91 115.95 121.81 1wpg h TRP 967 Ca -0.00 -0.03 -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 0.57 -0.01 -0.07 -3.56 0.00 0.00 178.44 175.37 1wpg h LEU 968 N 0.73 0.00 0.01 -4.49 3.38 -1.16 -0.73 115.31 113.05 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 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wpg h LEU 968 CO -0.02 0.01 -0.00 -0.03 0.09 0.00 0.00 178.44 178.49 1wpg h MET 969 N 0.00 -0.01 -0.94 1.13 4.05 -1.05 -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 0.03 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 1wpg h MET 969 CO 0.00 0.81 0.60 0.28 0.23 0.00 0.00 176.91 178.83 1wpg h VAL 970 N -0.88 0.92 0.00 -5.77 2.07 -1.02 0.20 116.25 111.77 1wpg h VAL 970 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1wpg h VAL 970 Cb 0.82 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 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 -4.57 0.00 -0.24 2.57 4.77 -0.36 -1.60 117.00 117.57 1wpg n LEU 971 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1wpg n LEU 971 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1wpg n LEU 971 CO 0.29 0.00 0.19 0.29 -1.33 0.00 0.00 177.39 176.83 1wpg n LYS 972 N -0.98 2.08 0.00 3.23 4.76 0.70 -3.82 118.16 124.13 1wpg n LYS 972 Ca 0.15 -0.57 0.00 0.00 -2.87 0.00 0.00 58.31 55.01 1wpg n LYS 972 Cb 0.07 -1.16 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 -0.39 0.00 -0.08 -0.18 5.41 -0.95 -4.72 119.36 118.45 1wpg n ILE 973 Ca 0.05 -0.41 -0.13 0.00 1.00 0.00 0.00 62.75 63.26 1wpg n ILE 973 Cb 0.26 0.93 -0.04 0.00 -0.71 0.00 0.00 39.64 40.07 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 -1.02 1.74 -0.31 4.38 7.64 -0.63 -4.66 113.62 120.75 1wpg n SER 974 Ca 0.00 0.29 0.12 0.00 1.01 0.00 0.00 58.87 60.30 1wpg n SER 974 Cb 0.00 -0.67 0.30 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.83 0.47 -0.31 -3.43 -0.00 -1.77 -0.16 115.31 109.28 1wpg h LEU 975 Ca -0.19 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1wpg h LEU 975 Cb 1.04 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1wpg h LEU 975 CO -0.11 0.09 0.00 -0.81 -0.00 0.00 0.00 178.44 177.61 1wpg n PRO 976 N -4.95 0.03 0.16 1.13 -0.04 -1.26 -1.52 135.00 128.55 1wpg n PRO 976 Ca 0.22 0.52 0.02 0.00 -0.04 0.00 0.00 63.50 64.22 1wpg n PRO 976 Cb 0.61 -1.60 0.35 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.26 -0.01 0.52 3.04 -1.29 -1.28 116.25 118.49 1wpg h VAL 977 Ca 0.00 -1.22 -0.00 0.00 -1.01 0.00 0.00 66.70 64.47 1wpg h VAL 977 Cb 0.01 1.61 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1wpg h VAL 977 CO 0.00 0.35 0.00 0.40 -1.01 0.00 0.00 177.57 177.32 1wpg h ILE 978 N 0.06 1.16 -0.25 3.17 2.04 -1.45 -1.74 117.51 120.50 1wpg h ILE 978 Ca 0.01 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1wpg h ILE 978 Cb 0.63 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1wpg h ILE 978 CO 0.05 0.12 -0.03 1.23 0.00 0.00 0.00 178.15 179.53 1wpg h GLY 979 N -0.19 0.40 0.66 5.37 0.00 -1.64 0.86 103.07 108.52 1wpg h GLY 979 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1wpg h GLY 979 CO -0.00 0.21 -0.41 -2.00 0.00 0.00 0.00 176.54 174.34 1wpg h LEU 980 N 0.36 -1.04 -1.25 3.11 5.85 -0.84 -1.70 115.31 119.80 1wpg h LEU 980 Ca 0.08 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1wpg h LEU 980 Cb 0.29 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1wpg h LEU 980 CO 0.01 -0.63 -0.05 -0.78 -0.34 0.00 0.00 178.44 176.65 1wpg h ASP 981 N -1.00 0.42 -0.34 1.25 3.58 -1.22 -2.02 116.42 117.10 1wpg h ASP 981 Ca -0.09 -0.09 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 0.08 0.53 0.23 -0.08 -2.88 0.00 0.00 179.24 177.12 1wpg h GLU 982 N 0.43 0.31 -0.01 0.28 4.57 -0.62 -0.70 114.58 118.83 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 0.37 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 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 0.32 1.53 -0.82 2.32 1.08 -0.58 -2.91 117.51 118.45 1wpg h ILE 983 Ca 0.14 -1.89 0.14 0.00 -0.39 0.00 0.00 64.86 62.86 1wpg h ILE 983 Cb 0.16 2.70 -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 0.00 178.15 178.42 1wpg h LEU 984 N -0.47 0.53 -0.28 1.44 3.38 -1.00 -0.16 115.31 118.76 1wpg h LEU 984 Ca -0.03 0.03 -0.07 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 41.64 1wpg h LEU 984 CO 0.05 0.28 -0.08 0.11 0.09 0.00 0.00 178.44 178.88 1wpg h LYS 985 N 0.57 0.55 -0.98 1.13 1.57 -1.18 -2.91 116.57 115.31 1wpg h LYS 985 Ca 0.41 -0.22 0.11 0.00 -1.87 0.00 0.00 60.65 59.09 1wpg h LYS 985 Cb 0.76 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 1wpg h LYS 985 CO -0.16 0.76 0.62 0.35 -0.57 0.00 0.00 179.45 180.45 1wpg h PHE 986 N 0.30 1.10 0.00 -1.35 3.57 -0.85 -0.48 116.94 119.23 1wpg h PHE 986 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1wpg h PHE 986 Cb 0.57 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1wpg h PHE 986 CO 0.05 0.45 -0.28 0.82 -2.23 0.00 0.00 178.31 177.13 1wpg h ILE 987 N 0.97 0.97 0.02 1.41 2.04 -1.15 -3.17 117.51 118.59 1wpg h ILE 987 Ca 0.48 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1wpg h ILE 987 Cb 0.47 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1wpg h ILE 987 CO -0.24 0.27 -0.01 0.00 0.00 0.00 0.00 178.15 178.17 1wpg h ALA 988 N 1.72 -0.03 0.00 1.87 0.00 -0.92 -1.78 119.26 120.13 1wpg h ALA 988 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 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 -0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.11 1wpg n ARG 989 N -4.70 0.65 0.03 0.00 1.85 -0.95 -2.65 116.66 110.89 1wpg n ARG 989 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1wpg n ARG 989 Cb 0.36 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 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 -0.38 -0.03 0.27 2.89 3.02 -1.20 -4.76 115.26 115.06 1wpg n ASN 990 Ca 0.00 0.11 0.18 0.00 -0.03 0.00 0.00 54.58 54.84 1wpg n ASN 990 Cb 0.03 0.09 0.83 0.00 -0.61 0.00 0.00 39.78 40.12 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 -3.91 3.10 3.20 -1.50 -3.44 116.97 114.43 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 -2.91 0.00 0.01 2.82 4.77 -1.08 -5.02 117.00 115.59 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 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1wpg n LEU 992 CO 0.22 -0.21 0.83 -0.08 -1.33 0.00 0.00 177.39 176.82 1wpg h GLU 993 N 0.00 0.05 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 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.84