#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 3.58 -1.36 2.12 0.41 -1.26 -4.26 118.70 117.93 1wpg s GLU 2 Ca 0.00 0.24 -0.04 0.00 -0.41 0.00 0.00 54.97 54.76 1wpg s GLU 2 Cb 0.00 -2.38 0.02 0.00 -1.78 0.00 0.00 34.13 29.99 1wpg s GLU 2 CO 0.00 -0.17 0.32 0.00 -0.49 0.00 0.00 175.26 174.92 1wpg n ALA 3 N -2.06 -0.90 0.10 5.21 0.00 -1.26 -4.85 120.51 116.75 1wpg n ALA 3 Ca 0.01 0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.66 1wpg n ALA 3 Cb 0.55 -2.66 0.50 0.00 0.00 0.00 0.00 19.45 17.84 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 1.79 -0.01 0.00 0.00 -1.95 -2.15 119.26 117.94 1wpg h ALA 4 Ca -0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1wpg h ALA 4 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1wpg h ALA 4 CO 0.50 0.18 -0.22 1.12 0.00 0.00 0.00 179.25 180.83 1wpg h HIS 5 N 0.33 0.01 -0.00 0.00 2.07 -1.90 -2.38 115.15 113.27 1wpg h HIS 5 Ca 0.09 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 1wpg h HIS 5 Cb 0.00 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1wpg h HIS 5 CO 0.00 0.22 -0.22 -1.13 -3.07 0.00 0.00 177.93 173.73 1wpg n SER 6 N -4.28 0.68 -4.96 3.10 3.41 -0.82 -0.19 113.62 110.57 1wpg n SER 6 Ca -0.02 -0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 57.76 1wpg n SER 6 Cb 0.28 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.59 3.46 0.75 4.33 1.02 -0.90 -4.62 119.74 121.20 1wpg s LYS 7 Ca 0.24 -0.57 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 1wpg s LYS 7 Cb 0.19 -2.82 0.06 0.00 -0.52 0.00 0.00 37.83 34.75 1wpg s LYS 7 CO 0.53 0.34 1.10 -1.54 -0.92 0.00 0.00 175.35 174.86 1wpg s SER 8 N -3.88 4.83 0.15 2.83 1.04 -1.26 -4.55 113.70 112.87 1wpg s SER 8 Ca 0.36 0.76 -0.16 0.00 0.48 0.00 0.00 55.95 57.40 1wpg s SER 8 Cb -0.09 -1.38 0.02 0.00 0.10 0.00 0.00 66.02 64.66 1wpg s SER 8 CO 0.31 -1.67 1.80 0.71 0.98 0.00 0.00 173.24 175.37 1wpg h THR 9 N -0.81 1.12 -0.34 2.02 1.35 -1.91 -2.34 112.91 112.00 1wpg h THR 9 Ca -0.45 -0.26 0.07 0.00 -0.55 0.00 0.00 66.41 65.22 1wpg h THR 9 Cb 1.31 0.55 -0.08 0.00 -1.73 0.00 0.00 68.15 68.20 1wpg h THR 9 CO 0.64 0.12 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.52 1wpg h GLU 10 N 0.56 -0.13 -0.91 4.72 3.07 -1.99 -1.13 114.58 118.76 1wpg h GLU 10 Ca 0.15 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1wpg h GLU 10 Cb -0.03 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 1wpg h GLU 10 CO -0.03 -0.08 0.60 0.93 -1.40 0.00 0.00 179.01 179.03 1wpg h GLU 11 N -0.13 1.17 -0.41 2.33 5.08 -1.89 0.13 114.58 120.86 1wpg h GLU 11 Ca 0.17 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1wpg h GLU 11 Cb 0.40 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1wpg h GLU 11 CO -0.42 0.78 -0.07 0.00 -1.00 0.00 0.00 179.01 178.29 1wpg h LEU 13 N 0.65 0.47 -1.42 0.00 3.38 -0.62 -3.10 115.31 114.67 1wpg h LEU 13 Ca 0.12 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1wpg h LEU 13 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1wpg h LEU 13 CO 0.03 0.82 0.19 0.00 0.09 0.00 0.00 178.44 179.56 1wpg h ALA 14 N 0.67 1.55 -0.69 1.53 0.00 -0.44 0.46 119.26 122.34 1wpg h ALA 14 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1wpg h ALA 14 Cb 0.66 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1wpg h ALA 14 CO 0.04 0.36 0.45 -0.92 0.00 0.00 0.00 179.25 179.18 1wpg h TYR 15 N 0.58 0.74 -0.06 0.00 5.03 -0.09 -2.32 116.97 120.86 1wpg h TYR 15 Ca 0.15 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1wpg h TYR 15 Cb 0.09 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.12 1wpg h TYR 15 CO 0.00 0.41 0.00 1.19 -1.32 0.00 0.00 178.16 178.45 1wpg n PHE 16 N -4.47 0.05 -3.62 -3.82 3.01 -0.92 -5.00 117.46 102.69 1wpg n PHE 16 Ca 0.09 -0.04 -0.24 0.00 1.01 0.00 0.00 57.45 58.28 1wpg n PHE 16 Cb 0.19 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.70 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 0.87 -0.68 3.22 1.37 0.00 0.11 -5.00 105.19 105.08 1wpg n GLY 17 Ca 0.10 0.32 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 1wpg n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpg s VAL 18 N -3.56 1.29 -0.09 1.61 -7.23 -0.97 -5.04 120.40 106.41 1wpg s VAL 18 Ca 0.24 -1.53 -0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1wpg s VAL 18 Cb -0.07 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1wpg s VAL 18 CO 0.82 -0.30 0.11 -0.94 -0.31 0.00 0.00 175.10 174.47 1wpg s SER 19 N -2.11 6.05 0.41 4.85 1.04 -1.26 -4.70 113.70 117.99 1wpg s SER 19 Ca 0.04 0.35 0.29 0.00 0.48 0.00 0.00 55.95 57.11 1wpg s SER 19 Cb -0.07 -1.88 1.22 0.00 0.10 0.00 0.00 66.02 65.39 1wpg s SER 19 CO 0.03 0.37 1.86 -0.08 0.98 0.00 0.00 173.24 176.40 1wpg h GLU 20 N 4.80 0.00 0.00 4.02 4.81 -1.98 0.08 114.58 126.30 1wpg h GLU 20 Ca -0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 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 0.59 0.00 -1.17 2.41 -0.73 0.00 0.00 179.01 180.11 1wpg n THR 21 N -2.68 0.50 0.00 0.32 -1.04 -1.26 -4.67 114.28 105.46 1wpg n THR 21 Ca 0.01 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1wpg n THR 21 Cb 0.26 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1wpg n THR 21 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wpg n THR 22 N -2.58 0.00 -0.88 12.58 -2.24 -1.11 -5.04 114.28 115.00 1wpg n THR 22 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1wpg n THR 22 Cb 0.55 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 3.10 -2.12 3.77 3.38 0.00 -0.00 -2.99 105.19 110.33 1wpg n GLY 23 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 0.00 4.01 0.42 0.99 1.43 -1.25 -4.14 118.68 120.15 1wpg s LEU 24 Ca 0.00 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.26 1wpg s LEU 24 Cb 0.00 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 1wpg s LEU 24 CO 0.00 -0.86 0.76 0.42 0.23 0.00 0.00 176.35 176.90 1wpg s THR 25 N -1.59 4.85 0.40 5.49 -4.23 -1.26 0.25 115.64 119.56 1wpg s THR 25 Ca 0.63 0.42 0.16 0.00 -1.18 0.00 0.00 61.69 61.72 1wpg s THR 25 Cb -0.27 -3.78 0.38 0.00 1.34 0.00 0.00 72.50 70.17 1wpg s THR 25 CO 0.33 -0.62 1.83 1.55 -0.54 0.00 0.00 174.62 177.16 1wpg h PRO 26 N 0.92 0.43 -0.69 3.99 0.13 -1.96 0.73 132.00 135.56 1wpg h PRO 26 Ca -0.47 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1wpg h PRO 26 Cb 1.19 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1wpg h PRO 26 CO 0.63 0.29 0.15 -0.44 -0.23 0.00 0.00 178.00 178.40 1wpg h ASP 27 N 0.45 1.06 -0.48 1.44 3.32 -2.00 -1.75 116.42 118.47 1wpg h ASP 27 Ca 0.51 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1wpg h ASP 27 Cb 1.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1wpg h ASP 27 CO -0.22 1.03 0.18 1.56 -1.72 0.00 0.00 179.24 180.07 1wpg h GLN 28 N 1.05 0.72 0.05 3.56 4.20 -1.26 -0.79 115.11 122.64 1wpg h GLN 28 Ca 0.21 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1wpg h GLN 28 Cb 0.40 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1wpg h GLN 28 CO 0.01 0.66 -0.09 0.28 -0.67 0.00 0.00 178.83 179.01 1wpg h VAL 29 N 0.63 0.78 -0.42 -0.54 2.07 -1.08 0.40 116.25 118.08 1wpg h VAL 29 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.74 1wpg h VAL 29 Cb 0.22 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1wpg h VAL 29 CO -0.01 0.00 0.12 0.50 0.02 0.00 0.00 177.57 178.20 1wpg h LYS 30 N -0.18 0.26 0.57 1.57 3.64 -1.18 0.47 116.57 121.71 1wpg h LYS 30 Ca 0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1wpg h LYS 30 Cb 0.20 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1wpg h LYS 30 CO -0.06 0.17 -0.31 -0.09 -2.27 0.00 0.00 179.45 176.89 1wpg h ARG 31 N 0.27 -0.79 -0.54 1.90 9.65 -0.65 -2.22 114.38 121.99 1wpg h ARG 31 Ca 0.20 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1wpg h ARG 31 Cb 0.21 0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1wpg h ARG 31 CO -0.23 -0.53 0.25 0.45 2.80 0.00 0.00 179.97 182.72 1wpg h HIS 32 N -0.82 0.74 0.00 2.20 3.86 0.03 -1.26 115.15 119.90 1wpg h HIS 32 Ca -0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1wpg h HIS 32 Cb 0.65 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1wpg h HIS 32 CO -0.07 0.55 0.00 1.25 0.86 0.00 0.00 177.93 180.52 1wpg h LEU 33 N 0.75 0.00 0.10 2.43 5.85 0.10 0.67 115.31 125.21 1wpg h LEU 33 Ca 0.19 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.56 1wpg h LEU 33 Cb 0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1wpg h LEU 33 CO -0.02 0.00 -1.90 -0.33 -0.34 0.00 0.00 178.44 175.84 1wpg h GLU 34 N 0.00 0.21 0.13 1.25 5.08 -0.63 -3.02 114.58 117.60 1wpg h GLU 34 Ca 0.00 -0.35 -0.27 0.00 -1.00 0.00 0.00 59.36 57.74 1wpg h GLU 34 Cb 0.38 0.13 0.03 0.00 0.50 0.00 0.00 28.75 29.79 1wpg h GLU 34 CO 0.00 1.04 -1.12 -0.22 -1.00 0.00 0.00 179.01 177.71 1wpg h LYS 35 N 0.06 0.52 0.00 2.33 3.64 -1.02 -3.38 116.57 118.72 1wpg h LYS 35 Ca -0.38 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.26 1wpg h LYS 35 Cb 2.03 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 34.11 1wpg h LYS 35 CO 0.09 1.33 -1.04 0.66 -2.27 0.00 0.00 179.45 178.22 1wpg n TYR 36 N -3.90 0.00 -2.39 1.91 0.53 0.20 -5.10 117.16 108.40 1wpg n TYR 36 Ca -0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.74 1wpg n TYR 36 Cb 0.94 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 39.20 1wpg n TYR 36 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wpg n GLY 37 N 1.46 -2.19 3.83 2.72 0.00 -1.14 -4.89 105.19 104.96 1wpg n GLY 37 Ca 0.03 -1.50 -0.35 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 -0.37 3.55 -1.21 1.61 3.76 -1.26 -4.71 115.29 116.66 1wpg s HIS 38 Ca 0.00 1.34 -0.19 0.00 -0.15 0.00 0.00 55.06 56.06 1wpg s HIS 38 Cb 0.00 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.08 1wpg s HIS 38 CO 0.00 0.25 1.96 -1.71 -0.85 0.00 0.00 174.74 174.39 1wpg n ASN 39 N 0.35 3.76 -3.63 1.40 5.15 0.17 -4.33 115.26 118.14 1wpg n ASN 39 Ca -0.00 -2.80 -0.13 0.00 -0.60 0.00 0.00 54.58 51.05 1wpg n ASN 39 Cb 0.52 -1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.12 1wpg n ASN 39 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1wpg s GLU 40 N 4.55 0.99 -0.14 1.20 -1.05 -1.26 -3.79 118.70 119.20 1wpg s GLU 40 Ca 0.56 -0.40 -0.20 0.00 -0.15 0.00 0.00 54.97 54.78 1wpg s GLU 40 Cb 0.08 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1wpg s GLU 40 CO 0.05 -0.36 0.57 -0.51 0.95 0.00 0.00 175.26 175.96 1wpg s LEU 41 N -2.17 4.23 0.24 1.83 1.02 -1.26 -4.27 118.68 118.31 1wpg s LEU 41 Ca -0.04 0.88 -0.30 0.00 0.02 0.00 0.00 54.13 54.69 1wpg s LEU 41 Cb -0.00 -2.83 -0.10 0.00 0.02 0.00 0.00 46.19 43.27 1wpg s LEU 41 CO -0.04 -0.12 1.51 -2.84 0.02 0.00 0.00 176.35 174.88 1wpg s PRO 42 N 1.13 4.22 0.92 1.29 0.02 -1.26 -5.02 135.00 136.30 1wpg s PRO 42 Ca 0.29 2.39 -0.14 0.00 0.02 0.00 0.00 61.00 63.56 1wpg s PRO 42 Cb -0.16 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.41 1wpg s PRO 42 CO 0.12 -0.52 1.20 0.00 -0.33 0.00 0.00 177.00 177.47 1wpg s ALA 43 N 0.26 2.05 0.34 -1.55 0.00 -1.26 -5.06 121.76 116.54 1wpg s ALA 43 Ca 0.63 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1wpg s ALA 43 Cb -0.44 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1wpg s ALA 43 CO 0.42 -2.27 -0.08 -1.21 0.00 0.00 0.00 175.76 172.62 1wpg s GLU 44 N -5.54 1.80 0.09 0.00 2.02 -1.26 -5.14 118.70 110.66 1wpg s GLU 44 Ca 0.67 -1.93 -0.24 0.00 0.02 0.00 0.00 54.97 53.48 1wpg s GLU 44 Cb -0.10 -1.64 0.08 0.00 0.10 0.00 0.00 34.13 32.57 1wpg s GLU 44 CO 0.52 0.12 1.13 -0.85 0.02 0.00 0.00 175.26 176.20 1wpg n GLU 45 N -0.78 0.42 0.00 1.61 0.00 -1.26 -5.04 120.64 115.59 1wpg n GLU 45 Ca -0.05 -1.12 0.00 0.00 0.00 0.00 0.00 57.16 55.99 1wpg n GLU 45 Cb 0.64 1.63 0.00 0.00 0.00 0.00 0.00 31.44 33.71 1wpg n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wpg n GLY 46 N -0.80 -0.30 1.82 -1.84 0.00 -1.26 -5.00 105.19 97.80 1wpg n GLY 46 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1wpg n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wpg n LYS 47 N 0.00 1.28 -1.68 1.61 2.85 -1.26 -4.86 118.16 116.09 1wpg n LYS 47 Ca 0.00 -0.42 -0.45 0.00 -1.05 0.00 0.00 58.31 56.39 1wpg n LYS 47 Cb 0.00 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 32.85 1wpg n LYS 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wpg n SER 48 N 2.06 3.49 -0.19 -5.58 2.88 -1.26 -4.79 113.62 110.22 1wpg n SER 48 Ca 0.18 1.03 -0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1wpg n SER 48 Cb 0.60 -1.45 0.10 0.00 -0.75 0.00 0.00 64.21 62.71 1wpg n SER 48 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1wpg h LEU 49 N 7.48 0.10 -1.67 2.46 5.85 -1.99 0.22 115.31 127.77 1wpg h LEU 49 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1wpg h LEU 49 Cb 1.25 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1wpg h LEU 49 CO 0.92 0.06 0.00 0.79 -0.34 0.00 0.00 178.44 179.88 1wpg n TRP 50 N -5.07 0.00 0.02 1.25 7.02 -1.26 -2.86 117.44 116.54 1wpg n TRP 50 Ca 0.08 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 1wpg n TRP 50 Cb 0.29 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 1wpg n TRP 50 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1wpg n GLU 51 N 0.40 0.00 0.26 -0.99 -0.58 0.52 -4.68 120.64 115.58 1wpg n GLU 51 Ca 0.00 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1wpg n GLU 51 Cb 0.36 -0.09 0.87 0.00 -0.57 0.00 0.00 31.44 32.01 1wpg n GLU 51 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1wpg h LEU 52 N 0.00 0.00 0.06 -4.62 8.10 -0.84 -1.66 115.31 116.35 1wpg h LEU 52 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 1wpg h LEU 52 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 1wpg h LEU 52 CO 0.00 0.00 -0.63 0.58 -4.11 0.00 0.00 178.44 174.28 1wpg h VAL 53 N 0.00 1.47 0.00 0.15 2.07 -1.76 -3.29 116.25 114.89 1wpg h VAL 53 Ca 0.00 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1wpg h VAL 53 Cb 0.17 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1wpg h VAL 53 CO 0.00 0.61 -0.01 0.40 0.02 0.00 0.00 177.57 178.59 1wpg h ILE 54 N -0.71 0.36 -0.21 4.57 2.04 -1.66 -1.48 117.51 120.42 1wpg h ILE 54 Ca -0.14 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.49 1wpg h ILE 54 Cb 1.34 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1wpg h ILE 54 CO 0.02 0.01 -0.52 -0.33 0.00 0.00 0.00 178.15 177.34 1wpg h GLU 55 N 0.00 0.60 0.00 2.37 5.08 -1.40 -2.90 114.58 118.34 1wpg h GLU 55 Ca -0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1wpg h GLU 55 Cb 0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1wpg h GLU 55 CO 0.00 0.98 -0.03 1.96 -1.00 0.00 0.00 179.01 180.92 1wpg h GLN 56 N 0.47 0.00 -0.57 2.33 1.08 -1.33 -1.38 115.11 115.71 1wpg h GLN 56 Ca 0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.87 1wpg h GLN 56 Cb 1.07 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.28 1wpg h GLN 56 CO 0.10 0.03 -0.05 1.19 -0.95 0.00 0.00 178.83 179.15 1wpg n PHE 57 N -3.34 1.86 -0.04 2.96 3.72 -1.10 -4.52 117.46 117.00 1wpg n PHE 57 Ca -0.02 -1.96 0.01 0.00 -0.05 0.00 0.00 57.45 55.43 1wpg n PHE 57 Cb 0.14 -0.63 -0.16 0.00 -0.94 0.00 0.00 39.48 37.89 1wpg n PHE 57 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1wpg n GLU 58 N -1.02 0.67 -1.92 -1.08 2.13 -0.52 -4.76 120.64 114.14 1wpg n GLU 58 Ca 0.42 -0.08 -0.41 0.00 0.66 0.00 0.00 57.16 57.75 1wpg n GLU 58 Cb 1.01 -1.55 -0.01 0.00 0.27 0.00 0.00 31.44 31.17 1wpg n GLU 58 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1wpg s ASP 59 N -5.05 6.51 0.34 4.31 2.15 -1.26 -4.91 116.67 118.76 1wpg s ASP 59 Ca -0.08 2.89 0.03 0.00 0.43 0.00 0.00 52.55 55.81 1wpg s ASP 59 Cb 0.10 -2.65 0.62 0.00 -0.30 0.00 0.00 42.92 40.69 1wpg s ASP 59 CO 0.87 -0.75 1.96 0.25 -0.17 0.00 0.00 175.17 177.33 1wpg h LEU 60 N 3.50 0.78 -0.20 -1.34 5.85 -1.96 -2.28 115.31 119.67 1wpg h LEU 60 Ca -0.49 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.07 1wpg h LEU 60 Cb 1.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1wpg h LEU 60 CO 0.67 0.53 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.76 1wpg h LEU 61 N 0.90 0.76 -1.72 2.25 3.38 -1.91 -2.81 115.31 116.16 1wpg h LEU 61 Ca 0.31 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wpg h LEU 61 Cb 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1wpg h LEU 61 CO -0.09 1.19 -0.08 -0.37 0.09 0.00 0.00 178.44 179.18 1wpg h VAL 62 N 0.37 0.28 0.04 1.22 -1.51 -1.87 -2.41 116.25 112.36 1wpg h VAL 62 Ca -0.00 -0.58 -0.28 0.00 -1.23 0.00 0.00 66.70 64.61 1wpg h VAL 62 Cb 1.09 1.45 0.02 0.00 -2.13 0.00 0.00 31.29 31.72 1wpg h VAL 62 CO 0.10 0.08 -1.11 0.03 -1.23 0.00 0.00 177.57 175.45 1wpg h ARG 63 N 0.00 0.68 -0.90 5.19 3.08 -1.34 -1.51 114.38 119.58 1wpg h ARG 63 Ca -0.00 -0.78 -0.00 0.00 0.07 0.00 0.00 59.98 59.27 1wpg h ARG 63 Cb 0.44 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 1wpg h ARG 63 CO 0.01 1.34 0.55 0.82 -1.07 0.00 0.00 179.97 181.63 1wpg h ILE 64 N 0.36 1.24 0.00 2.04 1.08 -1.19 0.14 117.51 121.19 1wpg h ILE 64 Ca -0.15 -0.51 -0.08 0.00 -0.39 0.00 0.00 64.86 63.73 1wpg h ILE 64 Cb 1.77 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1wpg h ILE 64 CO 0.22 0.25 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.46 1wpg h LEU 65 N 1.23 0.00 -0.16 1.44 4.07 -1.44 0.51 115.31 120.95 1wpg h LEU 65 Ca 0.32 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.17 1wpg h LEU 65 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1wpg h LEU 65 CO -0.06 0.39 -0.35 0.25 -1.08 0.00 0.00 178.44 177.60 1wpg h LEU 66 N 0.00 0.58 0.22 1.67 5.85 -0.08 -0.88 115.31 122.67 1wpg h LEU 66 Ca -0.00 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1wpg h LEU 66 Cb 0.95 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wpg h LEU 66 CO 0.05 1.04 -0.11 0.25 -0.34 0.00 0.00 178.44 179.33 1wpg h LEU 67 N 0.16 -0.25 -0.54 2.25 5.85 -0.68 -2.62 115.31 119.49 1wpg h LEU 67 Ca 0.00 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.60 1wpg h LEU 67 Cb 0.95 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 1wpg h LEU 67 CO 0.08 0.13 -0.09 0.00 -0.34 0.00 0.00 178.44 178.21 1wpg h ALA 68 N -0.01 0.41 -0.43 1.25 0.00 -0.94 0.23 119.26 119.77 1wpg h ALA 68 Ca -0.03 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1wpg h ALA 68 Cb 0.47 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1wpg h ALA 68 CO 0.05 -0.42 0.28 0.00 0.00 0.00 0.00 179.25 179.16 1wpg h ALA 69 N 1.52 1.79 -0.01 0.00 0.00 -1.15 0.32 119.26 121.73 1wpg h ALA 69 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1wpg h ALA 69 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wpg h ALA 69 CO -0.52 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 178.87 1wpg h ILE 71 N -0.62 1.04 0.00 0.00 2.04 -0.23 0.23 117.51 119.98 1wpg h ILE 71 Ca -0.00 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1wpg h ILE 71 Cb 0.68 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1wpg h ILE 71 CO 0.00 0.12 -0.25 -1.28 0.00 0.00 0.00 178.15 176.75 1wpg h SER 72 N 0.65 0.00 0.63 1.72 0.87 -0.32 -2.61 113.55 114.50 1wpg h SER 72 Ca 0.25 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.55 1wpg h SER 72 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wpg h SER 72 CO -0.07 0.25 -1.16 0.15 -0.53 0.00 0.00 176.83 175.46 1wpg h PHE 73 N 0.00 0.45 -0.27 2.24 3.04 0.69 -2.81 116.94 120.29 1wpg h PHE 73 Ca -0.00 -0.31 -0.15 0.00 3.98 0.00 0.00 57.97 61.49 1wpg h PHE 73 Cb 0.83 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1wpg h PHE 73 CO 0.00 1.22 -0.44 0.28 -2.02 0.00 0.00 178.31 177.35 1wpg h VAL 74 N 0.09 1.30 0.00 1.41 2.07 -1.05 -2.52 116.25 117.54 1wpg h VAL 74 Ca -0.11 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1wpg h VAL 74 Cb 1.88 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1wpg h VAL 74 CO 0.19 0.52 0.00 -0.07 0.02 0.00 0.00 177.57 178.23 1wpg h LEU 75 N 0.55 0.00 0.18 2.57 4.07 -1.50 -1.16 115.31 120.02 1wpg h LEU 75 Ca 0.04 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.69 1wpg h LEU 75 Cb 0.98 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.74 1wpg h LEU 75 CO 0.09 0.00 -1.38 0.00 -1.08 0.00 0.00 178.44 176.08 1wpg h ALA 76 N 2.17 -0.01 0.04 1.53 0.00 -1.18 -3.24 119.26 118.57 1wpg h ALA 76 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 1wpg h ALA 76 Cb 0.53 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1wpg h ALA 76 CO 0.00 0.86 -0.40 2.35 0.00 0.00 0.00 179.25 182.07 1wpg h TRP 77 N 0.11 0.33 0.00 0.00 2.91 -1.31 -3.22 115.95 114.76 1wpg h TRP 77 Ca -0.20 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 59.62 1wpg h TRP 77 Cb 2.07 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 30.69 1wpg h TRP 77 CO 0.09 1.08 0.00 1.19 -1.03 0.00 0.00 178.44 179.77 1wpg n PHE 78 N -4.39 0.00 -4.06 2.65 3.01 -0.45 -4.84 117.46 109.39 1wpg n PHE 78 Ca -0.11 -0.92 -0.30 0.00 1.01 0.00 0.00 57.45 57.13 1wpg n PHE 78 Cb 0.61 -0.47 -0.06 0.00 -0.01 0.00 0.00 39.48 39.54 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 0.09 2.86 0.66 -1.08 2.56 -1.22 -4.91 118.70 117.66 1wpg s GLU 79 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 54.97 54.08 1wpg s GLU 79 Cb 0.00 -2.71 -0.01 0.00 2.00 0.00 0.00 34.13 33.41 1wpg s GLU 79 CO 0.00 0.56 1.20 0.39 -0.56 0.00 0.00 175.26 176.85 1wpg n GLU 80 N 0.39 0.95 0.00 4.30 -0.58 -1.26 -4.85 120.64 119.59 1wpg n GLU 80 Ca -0.09 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1wpg n GLU 80 Cb 0.52 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1wpg n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpg n GLY 81 N 0.98 0.32 0.38 0.62 0.00 -1.26 -3.95 105.19 102.29 1wpg n GLY 81 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1wpg n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wpg h GLU 82 N 0.13 -0.92 -0.56 1.61 5.08 -2.04 -3.41 114.58 114.47 1wpg h GLU 82 Ca 0.00 0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 1wpg h GLU 82 Cb 0.22 0.21 -0.26 0.00 0.50 0.00 0.00 28.75 29.41 1wpg h GLU 82 CO 0.00 -0.61 -0.75 0.39 -1.00 0.00 0.00 179.01 177.04 1wpg n GLU 83 N -4.61 1.13 0.00 2.33 1.02 -1.26 -4.94 120.64 114.31 1wpg n GLU 83 Ca -0.12 -2.49 0.00 0.00 -0.02 0.00 0.00 57.16 54.53 1wpg n GLU 83 Cb 0.38 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 -0.20 0.09 0.11 2.62 5.66 -1.25 -3.45 114.28 117.86 1wpg n THR 84 Ca 0.05 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.89 1wpg n THR 84 Cb 0.80 -0.46 -0.14 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.02 1.48 -0.92 1.09 6.09 -1.93 -3.36 117.51 119.98 1wpg h ILE 85 Ca 0.00 -3.01 -0.47 0.00 -1.37 0.00 0.00 64.86 60.00 1wpg h ILE 85 Cb 0.45 2.94 -0.42 0.00 0.47 0.00 0.00 36.82 40.26 1wpg h ILE 85 CO 0.00 0.88 -0.90 0.35 -3.07 0.00 0.00 178.15 175.41 1wpg n THR 86 N -3.56 2.04 -0.06 2.19 -2.24 -1.22 -4.74 114.28 106.69 1wpg n THR 86 Ca -0.09 -4.00 -0.07 0.00 -2.27 0.00 0.00 64.05 57.62 1wpg n THR 86 Cb 1.02 -0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.55 1.66 1.91 6.98 0.00 -1.26 -4.13 120.51 125.13 1wpg n ALA 87 Ca 0.31 -1.08 0.02 0.00 0.00 0.00 0.00 53.44 52.69 1wpg n ALA 87 Cb 0.84 -0.43 0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.77 0.04 0.45 0.00 3.01 -1.26 -4.01 117.46 112.91 1wpg n PHE 88 Ca -0.25 -0.02 -0.19 0.00 1.01 0.00 0.00 57.45 58.00 1wpg n PHE 88 Cb 1.05 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.43 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 0.18 0.13 0.06 -4.37 2.07 -1.93 -1.99 116.25 110.40 1wpg h VAL 89 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1wpg h VAL 89 Cb 0.04 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 1wpg h VAL 89 CO 0.00 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 177.15 1wpg h GLU 90 N -1.15 -0.53 -0.76 1.57 4.81 -1.89 0.21 114.58 116.83 1wpg h GLU 90 Ca -0.11 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.35 1wpg h GLU 90 Cb 0.89 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1wpg h GLU 90 CO 0.17 -0.36 0.53 -1.35 -0.73 0.00 0.00 179.01 177.27 1wpg h PRO 91 N -0.55 0.14 0.10 0.92 0.11 -1.79 -1.87 132.00 129.06 1wpg h PRO 91 Ca 0.04 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.83 1wpg h PRO 91 Cb 0.61 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1wpg h PRO 91 CO -0.25 0.09 -1.64 0.74 -0.21 0.00 0.00 178.00 176.73 1wpg h PHE 92 N 0.14 0.40 -0.79 0.65 -1.00 -0.58 -3.01 116.94 112.76 1wpg h PHE 92 Ca 0.37 -0.29 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1wpg h PHE 92 Cb 1.26 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.77 1wpg h PHE 92 CO -0.00 1.41 0.40 0.28 -1.61 0.00 0.00 178.31 178.79 1wpg h VAL 93 N 0.06 1.24 0.22 -0.55 2.07 0.14 0.20 116.25 119.63 1wpg h VAL 93 Ca -0.28 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1wpg h VAL 93 Cb 2.02 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1wpg h VAL 93 CO 0.14 0.28 -0.11 0.40 0.02 0.00 0.00 177.57 178.30 1wpg h ILE 94 N 1.11 0.82 -0.59 4.57 2.04 -1.51 -1.80 117.51 122.16 1wpg h ILE 94 Ca 0.27 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.42 1wpg h ILE 94 Cb 0.08 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1wpg h ILE 94 CO -0.04 0.17 0.40 0.25 0.00 0.00 0.00 178.15 178.92 1wpg h LEU 95 N -0.75 0.32 -0.12 1.44 5.85 -1.38 0.25 115.31 120.91 1wpg h LEU 95 Ca -0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wpg h LEU 95 Cb 0.50 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1wpg h LEU 95 CO 0.05 0.19 -0.03 0.25 -0.34 0.00 0.00 178.44 178.55 1wpg h LEU 96 N 0.35 0.24 -0.33 2.25 5.85 -0.52 -2.41 115.31 120.74 1wpg h LEU 96 Ca 0.27 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1wpg h LEU 96 Cb 0.61 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1wpg h LEU 96 CO -0.07 0.56 0.13 0.40 -0.34 0.00 0.00 178.44 179.12 1wpg h ILE 97 N -0.08 1.18 0.40 4.05 1.08 -0.33 -1.27 117.51 122.54 1wpg h ILE 97 Ca 0.03 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1wpg h ILE 97 Cb 0.46 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1wpg h ILE 97 CO 0.01 0.19 -0.42 -0.07 -0.69 0.00 0.00 178.15 177.18 1wpg h LEU 98 N 0.38 -1.15 -2.68 1.44 4.07 -1.01 0.27 115.31 116.63 1wpg h LEU 98 Ca 0.11 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 1wpg h LEU 98 Cb 0.18 0.39 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1wpg h LEU 98 CO -0.01 -0.57 -0.01 0.40 -1.08 0.00 0.00 178.44 177.18 1wpg h ILE 99 N -0.84 0.15 0.10 1.22 2.04 -1.42 0.10 117.51 118.86 1wpg h ILE 99 Ca -0.03 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1wpg h ILE 99 Cb 0.75 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1wpg h ILE 99 CO -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.03 1wpg h ALA 100 N 1.99 -0.14 0.00 1.87 0.00 0.04 -0.77 119.26 122.26 1wpg h ALA 100 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wpg h ALA 100 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wpg h ALA 100 CO 0.00 -0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.19 1wpg n ASN 101 N -4.84 0.56 -0.01 0.00 4.13 0.82 -2.37 115.26 113.55 1wpg n ASN 101 Ca -0.05 0.66 -0.21 0.00 1.68 0.00 0.00 54.58 56.65 1wpg n ASN 101 Cb 0.20 -0.77 -0.14 0.00 -1.54 0.00 0.00 39.78 37.53 1wpg n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wpg n ALA 102 N -1.74 0.89 0.22 5.41 0.00 0.32 -3.25 120.51 122.36 1wpg n ALA 102 Ca 0.02 -0.60 0.07 0.00 0.00 0.00 0.00 53.44 52.93 1wpg n ALA 102 Cb 0.18 -0.64 0.50 0.00 0.00 0.00 0.00 19.45 19.49 1wpg n ALA 102 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wpg h ILE 103 N -0.06 0.97 0.02 0.00 2.10 -0.92 -2.04 117.51 117.57 1wpg h ILE 103 Ca -0.42 -0.93 -0.20 0.00 1.08 0.00 0.00 64.86 64.38 1wpg h ILE 103 Cb 1.95 1.53 -0.02 0.00 -1.09 0.00 0.00 36.82 39.19 1wpg h ILE 103 CO 0.05 0.25 -0.92 0.58 -1.08 0.00 0.00 178.15 177.02 1wpg h VAL 104 N 0.00 1.57 -0.14 2.19 2.07 -1.61 -3.07 116.25 117.25 1wpg h VAL 104 Ca -0.00 -2.89 -0.07 0.00 0.82 0.00 0.00 66.70 64.56 1wpg h VAL 104 Cb 0.51 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1wpg h VAL 104 CO 0.03 0.83 -0.22 1.23 0.02 0.00 0.00 177.57 179.46 1wpg h GLY 105 N 2.23 0.26 2.00 2.17 0.00 -1.35 -1.97 103.07 106.41 1wpg h GLY 105 Ca -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1wpg h GLY 105 CO 0.13 0.17 -0.09 -2.08 0.00 0.00 0.00 176.54 174.68 1wpg h VAL 106 N 0.22 0.16 -0.20 4.60 2.07 -1.47 -3.25 116.25 118.39 1wpg h VAL 106 Ca 0.04 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1wpg h VAL 106 Cb 0.52 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1wpg h VAL 106 CO 0.04 0.08 -0.24 -0.25 0.02 0.00 0.00 177.57 177.21 1wpg h TRP 107 N 0.00 0.63 0.00 1.57 2.91 -1.26 0.49 115.95 120.28 1wpg h TRP 107 Ca -0.00 -0.20 -0.03 0.00 1.13 0.00 0.00 58.89 59.79 1wpg h TRP 107 Cb 0.96 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.48 1wpg h TRP 107 CO 0.00 0.89 -0.16 1.96 -1.03 0.00 0.00 178.44 180.10 1wpg h GLN 108 N 0.18 0.00 0.07 2.65 4.20 -1.58 -2.70 115.11 117.94 1wpg h GLN 108 Ca 0.03 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.36 1wpg h GLN 108 Cb 0.81 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1wpg h GLN 108 CO 0.06 0.16 -2.18 0.39 -0.67 0.00 0.00 178.83 176.58 1wpg n GLU 109 N -3.35 0.72 -0.14 1.46 1.02 -1.19 -4.25 120.64 114.91 1wpg n GLU 109 Ca -0.00 0.22 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 1wpg n GLU 109 Cb 0.37 -1.64 0.18 0.00 -0.02 0.00 0.00 31.44 30.34 1wpg n GLU 109 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1wpg h ARG 110 N 0.04 0.85 -5.04 3.49 2.43 -0.94 -3.30 114.38 111.91 1wpg h ARG 110 Ca -0.48 -0.18 -0.72 0.00 -0.81 0.00 0.00 59.98 57.79 1wpg h ARG 110 Cb 1.99 -0.13 -0.16 0.00 -0.42 0.00 0.00 29.97 31.26 1wpg h ARG 110 CO 0.02 0.76 1.48 -0.80 -1.51 0.00 0.00 179.97 179.92 1wpg s ASN 111 N -6.57 6.97 -0.12 -3.80 0.01 -1.02 -4.91 114.94 105.49 1wpg s ASN 111 Ca -0.10 -2.75 -0.05 0.00 -0.71 0.00 0.00 52.86 49.26 1wpg s ASN 111 Cb 0.15 -2.44 0.06 0.00 0.41 0.00 0.00 41.25 39.43 1wpg s ASN 111 CO 0.80 -0.88 0.24 0.00 -1.51 0.00 0.00 177.10 175.75 1wpg s ALA 112 N 2.32 -0.48 0.19 0.60 0.00 -1.24 -4.87 121.76 118.27 1wpg s ALA 112 Ca 0.44 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1wpg s ALA 112 Cb -0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 23.12 22.11 1wpg s ALA 112 CO 0.00 -0.56 1.21 -1.21 0.00 0.00 0.00 175.76 175.21 1wpg s GLU 113 N 2.21 4.47 -0.11 0.00 2.02 -1.26 -4.99 118.70 121.04 1wpg s GLU 113 Ca -0.00 1.90 -0.25 0.00 0.02 0.00 0.00 54.97 56.64 1wpg s GLU 113 Cb -0.12 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1wpg s GLU 113 CO -0.08 -0.11 0.77 1.21 0.02 0.00 0.00 175.26 177.07 1wpg s ASN 114 N 0.17 6.99 0.30 -0.19 2.47 -1.26 -4.93 114.94 118.48 1wpg s ASN 114 Ca 0.53 1.20 0.08 0.00 0.42 0.00 0.00 52.86 55.10 1wpg s ASN 114 Cb -0.33 -2.44 0.48 0.00 -1.45 0.00 0.00 41.25 37.51 1wpg s ASN 114 CO 0.37 -0.26 1.70 0.00 -3.72 0.00 0.00 177.10 175.19 1wpg h ALA 115 N 7.06 1.12 -0.59 1.71 0.00 -1.93 -2.95 119.26 123.68 1wpg h ALA 115 Ca -0.35 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 1wpg h ALA 115 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wpg h ALA 115 CO 0.79 0.61 0.07 0.82 0.00 0.00 0.00 179.25 181.53 1wpg h ILE 116 N 0.12 1.26 -0.46 0.00 1.08 -1.93 -1.07 117.51 116.51 1wpg h ILE 116 Ca 0.01 -1.04 0.02 0.00 -0.39 0.00 0.00 64.86 63.46 1wpg h ILE 116 Cb 0.86 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 1wpg h ILE 116 CO 0.07 0.38 0.27 -0.33 -0.69 0.00 0.00 178.15 177.85 1wpg h GLU 117 N 0.89 0.53 -0.35 2.37 5.08 -1.94 -0.14 114.58 121.03 1wpg h GLU 117 Ca 0.18 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1wpg h GLU 117 Cb 0.46 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1wpg h GLU 117 CO 0.02 0.35 -0.06 0.00 -1.00 0.00 0.00 179.01 178.32 1wpg h ALA 118 N 1.20 1.25 -0.32 3.43 0.00 -1.44 -2.88 119.26 120.50 1wpg h ALA 118 Ca 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wpg h ALA 118 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wpg h ALA 118 CO -0.08 0.49 -0.07 1.25 0.00 0.00 0.00 179.25 180.84 1wpg h LEU 119 N 0.54 0.62 0.00 0.00 5.85 -0.45 -2.78 115.31 119.08 1wpg h LEU 119 Ca 0.11 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1wpg h LEU 119 Cb 0.43 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1wpg h LEU 119 CO 0.02 0.84 0.00 0.29 -0.34 0.00 0.00 178.44 179.25 1wpg n LYS 120 N -4.45 0.01 0.00 1.25 5.02 -0.13 -1.03 118.16 118.82 1wpg n LYS 120 Ca -0.02 0.38 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 1wpg n LYS 120 Cb 0.32 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.26 1wpg n LYS 120 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1wpg n GLU 121 N -1.40 0.05 -0.02 1.97 2.13 -1.05 -1.85 120.64 120.47 1wpg n GLU 121 Ca 0.01 0.15 0.13 0.00 0.66 0.00 0.00 57.16 58.11 1wpg n GLU 121 Cb 0.01 -1.50 0.33 0.00 0.27 0.00 0.00 31.44 30.55 1wpg n GLU 121 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1wpg n TYR 122 N -1.46 0.06 -3.24 4.31 4.02 -0.20 -4.80 117.16 115.86 1wpg n TYR 122 Ca 0.06 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1wpg n TYR 122 Cb 0.21 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.94 3.31 0.54 -0.72 2.02 -0.77 -3.97 118.70 117.16 1wpg s GLU 123 Ca 0.34 -0.47 -0.21 0.00 0.02 0.00 0.00 54.97 54.65 1wpg s GLU 123 Cb 0.20 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 1wpg s GLU 123 CO 0.31 -0.83 1.25 -1.25 0.02 0.00 0.00 175.26 174.76 1wpg s PRO 124 N 2.41 3.23 0.02 0.39 0.04 -1.26 -4.95 135.00 134.89 1wpg s PRO 124 Ca 0.17 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 1wpg s PRO 124 Cb -0.16 -2.18 -0.19 0.00 0.04 0.00 0.00 34.50 32.02 1wpg s PRO 124 CO 0.15 -1.04 1.21 1.05 0.04 0.00 0.00 177.00 178.41 1wpg h GLU 125 N 1.40 0.42 -6.21 4.56 4.11 -1.96 -3.40 114.58 113.49 1wpg h GLU 125 Ca -0.50 -0.33 -0.56 0.00 0.07 0.00 0.00 59.36 58.04 1wpg h GLU 125 Cb 1.29 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 1wpg h GLU 125 CO 0.57 0.97 -0.57 -1.64 0.07 0.00 0.00 179.01 178.41 1wpg s MET 126 N -3.68 2.85 0.17 1.06 -1.94 -1.26 0.14 119.30 116.63 1wpg s MET 126 Ca -0.14 -0.95 -0.05 0.00 -1.71 0.00 0.00 55.69 52.85 1wpg s MET 126 Cb 0.04 -2.59 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 1wpg s MET 126 CO 0.80 0.46 0.20 0.20 -0.01 0.00 0.00 175.02 176.66 1wpg s GLY 127 N -3.28 0.85 -0.15 -0.03 0.00 0.88 -4.55 107.32 101.05 1wpg s GLY 127 Ca 0.31 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.80 1wpg s GLY 127 CO 0.23 -1.11 -0.21 0.54 0.00 0.00 0.00 173.10 172.55 1wpg s LYS 128 N -4.04 3.03 0.17 2.90 1.02 -1.26 -1.39 119.74 120.17 1wpg s LYS 128 Ca 0.24 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.42 1wpg s LYS 128 Cb 0.05 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1wpg s LYS 128 CO 0.04 -0.05 -0.01 0.14 -0.92 0.00 0.00 175.35 174.54 1wpg s VAL 129 N 0.91 0.79 -0.25 3.17 -7.23 -0.46 -1.11 120.40 116.21 1wpg s VAL 129 Ca -0.05 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1wpg s VAL 129 Cb -0.15 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.73 1wpg s VAL 129 CO -0.04 -0.51 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.85 1wpg s TYR 130 N -3.58 3.12 0.32 2.82 1.51 0.02 -0.59 117.35 120.97 1wpg s TYR 130 Ca 0.23 -1.86 0.08 0.00 -1.01 0.00 0.00 57.07 54.51 1wpg s TYR 130 Cb 0.06 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1wpg s TYR 130 CO 0.04 -0.80 0.12 1.03 -1.11 0.00 0.00 175.55 174.83 1wpg s ARG 131 N 1.24 2.40 0.61 -0.62 1.81 -1.21 -3.84 118.95 119.34 1wpg s ARG 131 Ca -0.03 -1.48 0.33 0.00 -1.72 0.00 0.00 55.73 52.83 1wpg s ARG 131 Cb -0.18 -2.21 1.94 0.00 -0.45 0.00 0.00 34.95 34.06 1wpg s ARG 131 CO -0.05 0.18 2.24 0.00 -0.68 0.00 0.00 175.30 176.99 1wpg h ALA 132 N 1.60 1.44 -0.08 2.13 0.00 -0.10 -3.25 119.26 121.01 1wpg h ALA 132 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wpg h ALA 132 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wpg h ALA 132 CO 0.62 -0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 1wpg n ASP 133 N -3.60 0.00 -4.91 0.00 8.00 -1.26 -4.83 116.55 109.95 1wpg n ASP 133 Ca -0.02 0.99 -0.21 0.00 0.71 0.00 0.00 54.79 56.26 1wpg n ASP 133 Cb 0.14 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 1wpg n ASP 133 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wpg s ARG 134 N -2.94 2.53 -0.04 -1.24 0.52 -1.23 -5.03 118.95 111.52 1wpg s ARG 134 Ca 0.00 -1.55 0.21 0.00 -0.52 0.00 0.00 55.73 53.87 1wpg s ARG 134 Cb 0.00 -2.42 -0.32 0.00 0.52 0.00 0.00 34.95 32.73 1wpg s ARG 134 CO 0.00 -0.29 0.43 1.63 0.02 0.00 0.00 175.30 177.09 1wpg n LYS 135 N -1.66 0.65 -3.38 3.54 5.02 -1.26 -4.53 118.16 116.54 1wpg n LYS 135 Ca 0.04 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.83 1wpg n LYS 135 Cb 0.62 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1wpg n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wpg s SER 136 N -4.49 6.69 0.49 4.39 1.04 -1.26 -5.03 113.70 115.52 1wpg s SER 136 Ca -0.08 0.99 -0.23 0.00 0.48 0.00 0.00 55.95 57.11 1wpg s SER 136 Cb 0.13 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 63.92 1wpg s SER 136 CO 0.86 -0.03 1.19 0.55 0.98 0.00 0.00 173.24 176.79 1wpg n VAL 137 N 0.11 3.07 -4.87 5.02 3.14 -1.26 -4.83 118.33 118.70 1wpg n VAL 137 Ca -0.01 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.54 1wpg n VAL 137 Cb 0.52 -1.44 -0.14 0.00 -1.06 0.00 0.00 33.84 31.72 1wpg n VAL 137 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wpg s GLN 138 N -2.45 2.99 -0.62 1.45 -0.21 0.24 -4.96 119.66 116.10 1wpg s GLN 138 Ca 0.67 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 55.18 1wpg s GLN 138 Cb -0.48 -2.50 0.15 0.00 1.00 0.00 0.00 33.01 31.19 1wpg s GLN 138 CO 0.53 0.38 0.59 0.50 -2.12 0.00 0.00 175.29 175.17 1wpg s ARG 139 N -0.09 3.17 0.53 2.91 3.52 -1.26 -1.36 118.95 126.36 1wpg s ARG 139 Ca -0.02 -1.90 0.05 0.00 -0.13 0.00 0.00 55.73 53.72 1wpg s ARG 139 Cb -0.14 -4.34 0.02 0.00 -1.56 0.00 0.00 34.95 28.93 1wpg s ARG 139 CO 0.04 -1.33 0.32 0.96 -0.81 0.00 0.00 175.30 174.47 1wpg s ILE 140 N 1.27 1.62 0.07 4.11 -4.36 -0.49 -4.88 121.20 118.54 1wpg s ILE 140 Ca 0.08 -1.59 -0.31 0.00 -0.26 0.00 0.00 60.65 58.57 1wpg s ILE 140 Cb -0.24 -2.22 -0.07 0.00 1.25 0.00 0.00 42.46 41.18 1wpg s ILE 140 CO -0.00 0.00 1.47 -0.54 0.24 0.00 0.00 174.94 176.11 1wpg s LYS 141 N -4.18 4.27 0.29 0.37 -0.14 -1.26 -0.08 119.74 119.01 1wpg s LYS 141 Ca 0.29 2.12 0.04 0.00 -1.36 0.00 0.00 55.97 57.06 1wpg s LYS 141 Cb -0.01 -3.44 0.67 0.00 -1.68 0.00 0.00 37.83 33.37 1wpg s LYS 141 CO 0.18 -0.57 1.79 0.00 -0.76 0.00 0.00 175.35 175.99 1wpg h ALA 142 N 7.52 1.58 0.00 5.17 0.00 0.94 0.33 119.26 134.81 1wpg h ALA 142 Ca -0.41 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wpg h ALA 142 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1wpg h ALA 142 CO 0.90 -0.00 0.00 0.07 0.00 0.00 0.00 179.25 180.22 1wpg h ARG 143 N 0.79 0.00 -0.16 0.00 0.11 -1.75 -1.30 114.38 112.07 1wpg h ARG 143 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1wpg h ARG 143 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1wpg h ARG 143 CO -0.36 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.46 1wpg n ASP 144 N -2.84 1.99 -4.83 0.08 8.00 0.12 -0.65 116.55 118.42 1wpg n ASP 144 Ca -0.02 -1.73 -0.33 0.00 0.71 0.00 0.00 54.79 53.43 1wpg n ASP 144 Cb 0.12 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 1wpg n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wpg s ILE 145 N -1.80 4.37 0.05 0.53 1.01 -0.49 -4.94 121.20 119.93 1wpg s ILE 145 Ca 0.34 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 1wpg s ILE 145 Cb 0.19 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1wpg s ILE 145 CO 0.29 -0.47 -0.00 0.68 0.00 0.00 0.00 174.94 175.43 1wpg s VAL 146 N -2.36 0.20 0.19 2.92 -7.23 -1.26 -3.85 120.40 109.01 1wpg s VAL 146 Ca 0.61 -1.62 -0.33 0.00 -1.81 0.00 0.00 61.98 58.84 1wpg s VAL 146 Cb -0.10 -1.34 -0.15 0.00 0.56 0.00 0.00 36.38 35.35 1wpg s VAL 146 CO 0.22 -0.89 1.29 -2.65 -0.31 0.00 0.00 175.10 172.75 1wpg n PRO 147 N 0.28 1.53 0.00 4.82 -0.02 -1.26 -1.87 135.00 138.48 1wpg n PRO 147 Ca -0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1wpg n PRO 147 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1wpg n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpg n GLY 148 N 2.18 3.32 3.85 -1.23 0.00 0.12 -4.97 105.19 108.45 1wpg n GLY 148 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.72 6.61 -0.22 1.61 1.47 -0.78 -4.65 116.67 119.98 1wpg s ASP 149 Ca 0.00 1.50 -0.26 0.00 1.18 0.00 0.00 52.55 54.97 1wpg s ASP 149 Cb 0.00 -2.48 -0.00 0.00 -0.34 0.00 0.00 42.92 40.10 1wpg s ASP 149 CO 0.00 -0.56 0.91 -0.63 0.68 0.00 0.00 175.17 175.58 1wpg s ILE 150 N -2.59 4.78 0.20 2.11 -1.09 -1.26 -1.89 121.20 121.46 1wpg s ILE 150 Ca 0.58 1.76 0.10 0.00 -2.23 0.00 0.00 60.65 60.86 1wpg s ILE 150 Cb -0.10 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1wpg s ILE 150 CO 0.31 -0.10 -0.12 0.68 -1.23 0.00 0.00 174.94 174.49 1wpg s VAL 151 N 2.86 3.01 -0.03 2.92 -7.23 -0.54 -0.80 120.40 120.59 1wpg s VAL 151 Ca 0.39 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1wpg s VAL 151 Cb -0.15 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 1wpg s VAL 151 CO 0.08 -0.16 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.88 1wpg s GLU 152 N -2.93 1.41 0.07 4.82 2.12 -0.27 -1.62 118.70 122.30 1wpg s GLU 152 Ca 0.25 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.15 1wpg s GLU 152 Cb -0.08 -1.26 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 1wpg s GLU 152 CO 0.15 0.19 -0.12 0.14 -0.54 0.00 0.00 175.26 175.07 1wpg s VAL 153 N 0.10 0.96 0.21 3.70 -7.23 -0.92 -4.29 120.40 112.93 1wpg s VAL 153 Ca -0.03 -1.30 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1wpg s VAL 153 Cb -0.10 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 1wpg s VAL 153 CO 0.01 -0.31 0.31 0.00 -0.31 0.00 0.00 175.10 174.81 1wpg s ALA 154 N -1.46 0.27 -0.14 1.32 0.00 -1.26 -1.64 121.76 118.85 1wpg s ALA 154 Ca -0.03 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.48 1wpg s ALA 154 Cb -0.09 1.10 -0.15 0.00 0.00 0.00 0.00 23.12 23.98 1wpg s ALA 154 CO 0.02 -0.71 0.93 0.28 0.00 0.00 0.00 175.76 176.28 1wpg n VAL 155 N -0.29 0.00 0.00 0.00 0.31 -0.35 -0.87 118.33 117.12 1wpg n VAL 155 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wpg n VAL 155 Cb 0.63 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1wpg n VAL 155 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wpg n GLY 156 N 1.79 3.26 3.76 2.92 0.00 0.03 -5.00 105.19 111.95 1wpg n GLY 156 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.04 4.77 -0.24 1.61 1.01 -0.05 -4.74 116.67 117.98 1wpg s ASP 157 Ca 0.00 2.05 -0.06 0.00 0.71 0.00 0.00 52.55 55.25 1wpg s ASP 157 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1wpg s ASP 157 CO 0.00 -1.86 0.03 -0.75 0.21 0.00 0.00 175.17 172.80 1wpg s LYS 158 N -4.19 3.55 0.01 8.23 2.20 -1.26 -1.14 119.74 127.14 1wpg s LYS 158 Ca 0.68 -0.53 -0.35 0.00 -0.36 0.00 0.00 55.97 55.40 1wpg s LYS 158 Cb -0.22 -3.22 -0.14 0.00 -1.51 0.00 0.00 37.83 32.74 1wpg s LYS 158 CO 0.45 -0.20 1.65 0.28 -0.36 0.00 0.00 175.35 177.17 1wpg n VAL 159 N 4.88 0.22 0.15 4.02 0.31 0.72 -4.74 118.33 123.90 1wpg n VAL 159 Ca -0.17 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.16 1wpg n VAL 159 Cb 0.51 -1.46 0.05 0.00 -0.91 0.00 0.00 33.84 32.03 1wpg n VAL 159 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1wpg h PRO 160 N 6.82 0.00 -3.04 5.55 0.13 -1.89 -2.03 132.00 137.55 1wpg h PRO 160 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1wpg h PRO 160 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1wpg h PRO 160 CO 0.89 0.44 0.24 0.00 -0.23 0.00 0.00 178.00 179.34 1wpg s ALA 161 N -3.00 -0.91 -0.29 -0.56 0.00 -1.26 -4.86 121.76 110.89 1wpg s ALA 161 Ca 0.04 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1wpg s ALA 161 Cb 0.07 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1wpg s ALA 161 CO 0.73 -1.00 1.11 -0.51 0.00 0.00 0.00 175.76 176.09 1wpg s ASP 162 N -3.01 6.94 -0.01 0.00 1.11 -1.05 -3.09 116.67 117.57 1wpg s ASP 162 Ca 0.14 1.19 0.07 0.00 0.18 0.00 0.00 52.55 54.13 1wpg s ASP 162 Cb -0.05 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1wpg s ASP 162 CO 0.10 -0.85 -0.24 -0.63 1.18 0.00 0.00 175.17 174.73 1wpg s ILE 163 N 3.63 1.87 -0.16 0.77 1.01 0.82 -0.84 121.20 128.30 1wpg s ILE 163 Ca 0.47 -1.05 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 1wpg s ILE 163 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1wpg s ILE 163 CO 0.14 0.49 0.62 -0.60 0.00 0.00 0.00 174.94 175.60 1wpg s ARG 164 N -0.65 4.27 0.08 2.79 3.00 -0.20 0.17 118.95 128.41 1wpg s ARG 164 Ca 0.09 0.65 -0.30 0.00 -1.00 0.00 0.00 55.73 55.16 1wpg s ARG 164 Cb -0.09 -3.53 -0.06 0.00 0.00 0.00 0.00 34.95 31.27 1wpg s ARG 164 CO -0.00 -0.13 1.16 0.42 0.00 0.00 0.00 175.30 176.74 1wpg s ILE 165 N 1.53 4.09 -0.23 4.11 1.01 -0.12 -0.89 121.20 130.70 1wpg s ILE 165 Ca 0.30 1.55 0.02 0.00 0.00 0.00 0.00 60.65 62.52 1wpg s ILE 165 Cb -0.16 -3.99 -0.16 0.00 0.01 0.00 0.00 42.46 38.16 1wpg s ILE 165 CO 0.12 0.15 -0.20 0.18 0.00 0.00 0.00 174.94 175.18 1wpg n LEU 166 N 3.64 2.93 -3.65 2.97 4.77 0.96 -4.78 117.00 123.83 1wpg n LEU 166 Ca 0.07 -0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 1wpg n LEU 166 Cb 0.47 -0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1wpg n LEU 166 CO 0.55 0.89 0.27 -0.55 -1.33 0.00 0.00 177.39 177.22 1wpg s SER 167 N -6.26 -0.93 -0.25 -1.43 0.15 -0.22 -4.97 113.70 99.79 1wpg s SER 167 Ca -0.31 1.44 -0.15 0.00 0.70 0.00 0.00 55.95 57.64 1wpg s SER 167 Cb 0.08 1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 65.96 1wpg s SER 167 CO 0.55 -0.23 0.35 -0.63 1.20 0.00 0.00 173.24 174.48 1wpg s ILE 168 N 2.06 5.20 -0.04 6.45 1.01 -1.26 -0.08 121.20 134.54 1wpg s ILE 168 Ca -0.08 0.55 0.12 0.00 0.00 0.00 0.00 60.65 61.24 1wpg s ILE 168 Cb -0.08 -3.68 -0.15 0.00 0.01 0.00 0.00 42.46 38.56 1wpg s ILE 168 CO -0.19 0.20 1.01 0.11 0.00 0.00 0.00 174.94 176.08 1wpg h LYS 169 N 7.94 0.00 -7.34 2.79 1.79 -1.30 -3.47 116.57 116.98 1wpg h LYS 169 Ca -0.33 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.68 1wpg h LYS 169 Cb 1.16 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.92 1wpg h LYS 169 CO 0.66 0.59 0.21 -1.54 -1.08 0.00 0.00 179.45 178.28 1wpg s SER 170 N -6.25 4.05 0.30 0.86 1.04 -1.17 -4.97 113.70 107.55 1wpg s SER 170 Ca -0.01 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wpg s SER 170 Cb 0.09 -0.24 0.46 0.00 0.10 0.00 0.00 66.02 66.43 1wpg s SER 170 CO 0.81 -2.08 1.86 0.74 0.98 0.00 0.00 173.24 175.55 1wpg h THR 171 N -0.85 1.21 -3.54 2.02 2.02 -1.92 -3.45 112.91 108.40 1wpg h THR 171 Ca -0.40 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 1wpg h THR 171 Cb 1.26 0.64 -0.15 0.00 -1.74 0.00 0.00 68.15 68.16 1wpg h THR 171 CO 0.42 0.28 -0.28 0.42 0.37 0.00 0.00 175.52 176.72 1wpg s THR 172 N -5.26 0.11 -0.21 3.16 -4.23 -1.26 -4.78 115.64 103.17 1wpg s THR 172 Ca -0.10 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1wpg s THR 172 Cb 0.16 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1wpg s THR 172 CO 0.79 -0.48 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.06 1wpg s LEU 173 N -2.48 2.60 -0.24 4.79 2.96 -1.26 -4.30 118.68 120.74 1wpg s LEU 173 Ca -0.00 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 1wpg s LEU 173 Cb 0.02 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1wpg s LEU 173 CO -0.08 -0.02 0.13 -0.13 -1.32 0.00 0.00 176.35 174.94 1wpg s ARG 174 N 1.40 3.92 -0.03 1.98 1.81 0.11 -2.24 118.95 125.90 1wpg s ARG 174 Ca 0.05 -0.35 0.06 0.00 -1.72 0.00 0.00 55.73 53.77 1wpg s ARG 174 Cb -0.14 -3.47 -0.01 0.00 -0.45 0.00 0.00 34.95 30.88 1wpg s ARG 174 CO -0.07 -0.03 -0.20 0.08 -0.68 0.00 0.00 175.30 174.39 1wpg s VAL 175 N 1.27 1.65 -0.46 3.52 1.01 -0.28 0.06 120.40 127.18 1wpg s VAL 175 Ca 0.06 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1wpg s VAL 175 Cb -0.14 -1.39 0.08 0.00 0.00 0.00 0.00 36.38 34.92 1wpg s VAL 175 CO 0.05 0.47 0.37 -0.62 0.00 0.00 0.00 175.10 175.37 1wpg s ASP 176 N -0.23 6.02 -0.26 3.32 2.15 -0.68 0.48 116.67 127.47 1wpg s ASP 176 Ca 0.01 -1.39 0.13 0.00 0.43 0.00 0.00 52.55 51.73 1wpg s ASP 176 Cb -0.10 -2.14 0.68 0.00 -0.30 0.00 0.00 42.92 41.05 1wpg s ASP 176 CO 0.01 -0.63 1.65 0.00 -0.17 0.00 0.00 175.17 176.04 1wpg n GLN 177 N 5.13 3.52 -0.16 4.34 6.02 -1.26 -2.91 117.38 132.06 1wpg n GLN 177 Ca -0.12 -3.05 0.29 0.00 -0.01 0.00 0.00 57.00 54.11 1wpg n GLN 177 Cb 0.43 -2.08 0.72 0.00 1.02 0.00 0.00 30.24 30.34 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 2.49 0.00 0.70 1.08 4.64 -1.84 0.28 113.55 120.90 1wpg h SER 178 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1wpg h SER 178 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1wpg h SER 178 CO 0.51 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.63 1wpg h ILE 179 N 0.00 0.00 0.00 0.95 3.07 -1.87 0.53 117.51 120.19 1wpg h ILE 179 Ca 0.42 -0.31 -0.00 0.00 1.55 0.00 0.00 64.86 66.51 1wpg h ILE 179 Cb 1.77 1.18 -0.00 0.00 -0.27 0.00 0.00 36.82 39.51 1wpg h ILE 179 CO -0.00 0.00 -1.51 0.18 -1.05 0.00 0.00 178.15 175.77 1wpg n LEU 180 N -2.76 0.00 0.00 0.16 4.77 0.92 -2.82 117.00 117.27 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 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1wpg n LEU 180 CO 0.22 0.00 -0.22 0.35 -1.33 0.00 0.00 177.39 176.41 1wpg n THR 181 N -1.89 0.00 -0.02 -5.08 -2.24 -0.77 -4.29 114.28 99.99 1wpg n THR 181 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1wpg n THR 181 Cb 0.30 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.50 2.59 3.81 3.38 0.00 0.19 -3.65 105.19 113.00 1wpg n GLY 182 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.12 3.96 0.06 1.61 0.41 -1.26 -4.88 118.70 118.48 1wpg s GLU 183 Ca 0.00 0.31 0.24 0.00 -0.41 0.00 0.00 54.97 55.11 1wpg s GLU 183 Cb 0.00 -3.27 0.38 0.00 -1.78 0.00 0.00 34.13 29.45 1wpg s GLU 183 CO 0.00 0.57 1.32 -1.13 -0.49 0.00 0.00 175.26 175.53 1wpg n SER 184 N 2.32 0.60 -4.69 -0.19 3.41 -1.26 -2.57 113.62 111.23 1wpg n SER 184 Ca -0.14 -0.07 -0.44 0.00 -0.26 0.00 0.00 58.87 57.97 1wpg n SER 184 Cb 0.52 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.72 1wpg n SER 184 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1wpg n VAL 185 N -1.84 0.15 -2.28 -3.33 3.14 -1.26 -4.84 118.33 108.07 1wpg n VAL 185 Ca 0.04 -0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 60.99 1wpg n VAL 185 Cb 0.40 -1.85 -0.03 0.00 -1.06 0.00 0.00 33.84 31.30 1wpg n VAL 185 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wpg s SER 186 N 1.76 6.99 -0.10 6.55 1.04 -1.26 -4.66 113.70 124.02 1wpg s SER 186 Ca 0.80 2.46 -0.08 0.00 0.48 0.00 0.00 55.95 59.61 1wpg s SER 186 Cb -0.58 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 62.87 1wpg s SER 186 CO 0.37 -0.38 0.18 0.68 0.98 0.00 0.00 173.24 175.07 1wpg s VAL 187 N -0.84 5.45 -0.33 5.02 -7.23 0.18 -4.76 120.40 117.88 1wpg s VAL 187 Ca 0.49 0.27 -0.21 0.00 -1.81 0.00 0.00 61.98 60.72 1wpg s VAL 187 Cb -0.36 -3.44 -0.00 0.00 0.56 0.00 0.00 36.38 33.13 1wpg s VAL 187 CO 0.45 0.60 0.68 -0.63 -0.31 0.00 0.00 175.10 175.88 1wpg s ILE 188 N -1.05 4.87 0.47 -0.62 -1.09 -1.26 -1.12 121.20 121.40 1wpg s ILE 188 Ca 0.17 0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 59.39 1wpg s ILE 188 Cb -0.13 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1wpg s ILE 188 CO 0.06 -0.25 0.73 -0.54 -1.23 0.00 0.00 174.94 173.71 1wpg s LYS 189 N 2.76 3.17 0.32 2.79 -0.14 -0.95 -4.96 119.74 122.72 1wpg s LYS 189 Ca 0.27 -0.24 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 1wpg s LYS 189 Cb -0.14 -2.47 -0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1wpg s LYS 189 CO 0.13 -0.31 0.42 -3.38 -0.76 0.00 0.00 175.35 171.46 1wpg s HIS 190 N -2.66 1.06 -1.16 3.18 -3.43 -0.30 -4.57 115.29 107.40 1wpg s HIS 190 Ca 0.48 -1.27 0.13 0.00 -0.80 0.00 0.00 55.06 53.60 1wpg s HIS 190 Cb -0.10 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 1wpg s HIS 190 CO 0.40 -1.04 0.73 0.25 -2.00 0.00 0.00 174.74 173.08 1wpg n THR 191 N -0.52 0.00 -1.71 -5.38 -2.24 -1.26 -3.89 114.28 99.29 1wpg n THR 191 Ca 0.01 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 1wpg n THR 191 Cb 0.62 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 70.06 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 -1.55 2.66 0.58 -0.78 2.02 -1.26 -4.69 118.70 115.68 1wpg s GLU 192 Ca 0.11 1.51 -0.17 0.00 0.02 0.00 0.00 54.97 56.43 1wpg s GLU 192 Cb 0.10 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1wpg s GLU 192 CO 0.31 -1.38 1.09 -1.25 0.02 0.00 0.00 175.26 174.04 1wpg s PRO 193 N -3.98 3.25 -0.49 0.39 0.04 -1.26 -4.68 135.00 128.26 1wpg s PRO 193 Ca 0.69 1.38 0.01 0.00 0.04 0.00 0.00 61.00 63.13 1wpg s PRO 193 Cb -0.23 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.43 1wpg s PRO 193 CO 0.41 -0.89 0.26 0.08 0.04 0.00 0.00 177.00 176.90 1wpg s VAL 194 N -2.18 2.97 0.16 -0.36 1.01 0.73 -5.00 120.40 117.74 1wpg s VAL 194 Ca 0.67 -2.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.56 1wpg s VAL 194 Cb -0.19 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1wpg s VAL 194 CO 0.33 -0.76 1.51 -2.65 0.00 0.00 0.00 175.10 173.53 1wpg n PRO 195 N 3.71 -0.42 -1.46 2.72 -0.02 -1.26 -3.48 135.00 134.79 1wpg n PRO 195 Ca 0.04 1.48 -0.54 0.00 -2.02 0.00 0.00 63.50 62.47 1wpg n PRO 195 Cb 0.37 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1wpg n PRO 195 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wpg n ASP 196 N -5.24 1.94 0.24 2.55 2.03 -1.26 -4.80 116.55 112.01 1wpg n ASP 196 Ca 0.03 0.58 0.10 0.00 0.52 0.00 0.00 54.79 56.02 1wpg n ASP 196 Cb 0.26 -1.18 0.63 0.00 -0.72 0.00 0.00 41.12 40.12 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 10.82 0.00 -0.64 -0.67 0.13 -2.00 -2.36 132.00 137.29 1wpg h PRO 197 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wpg h PRO 197 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1wpg h PRO 197 CO 1.02 0.17 0.00 0.54 -0.23 0.00 0.00 178.00 179.50 1wpg n ARG 198 N -3.79 3.35 -1.57 0.86 1.74 -1.26 -4.99 116.66 111.00 1wpg n ARG 198 Ca -0.02 -2.46 -0.42 0.00 -0.77 0.00 0.00 57.85 54.18 1wpg n ARG 198 Cb 0.27 -1.81 0.01 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 0.95 -0.29 -2.28 7.54 0.00 -0.89 -4.97 120.51 120.58 1wpg n ALA 199 Ca 0.22 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.64 1wpg n ALA 199 Cb 0.78 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 18.25 1wpg n ALA 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wpg s VAL 200 N -1.30 4.09 0.25 0.00 1.01 -1.26 -4.92 120.40 118.26 1wpg s VAL 200 Ca 0.63 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 1wpg s VAL 200 Cb -0.58 -3.54 0.23 0.00 0.00 0.00 0.00 36.38 32.48 1wpg s VAL 200 CO 0.57 -0.44 1.70 0.78 0.00 0.00 0.00 175.10 177.71 1wpg h ASN 201 N 0.26 0.13 0.37 3.32 2.35 -1.94 0.31 115.58 120.39 1wpg h ASN 201 Ca -0.46 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1wpg h ASN 201 Cb 1.25 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1wpg h ASN 201 CO 0.59 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 176.39 1wpg n GLN 202 N -5.09 0.03 0.06 0.81 0.00 -1.26 -1.42 117.38 110.51 1wpg n GLN 202 Ca 0.14 0.35 0.08 0.00 0.00 0.00 0.00 57.00 57.57 1wpg n GLN 202 Cb 0.45 -1.56 -0.05 0.00 0.00 0.00 0.00 30.24 29.07 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 -1.62 0.71 -3.59 2.61 8.00 0.11 -4.59 116.55 118.17 1wpg n ASP 203 Ca 0.02 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.40 1wpg n ASP 203 Cb 0.13 0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.68 3.39 0.00 -1.24 5.02 -0.50 -4.71 118.16 117.43 1wpg n LYS 204 Ca -0.04 -2.67 0.07 0.00 -2.02 0.00 0.00 58.31 53.65 1wpg n LYS 204 Cb 0.65 -3.02 0.41 0.00 -0.02 0.00 0.00 35.03 33.05 1wpg n LYS 204 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wpg n LYS 205 N 4.59 0.53 -0.17 1.97 5.02 -1.26 -2.14 118.16 126.70 1wpg n LYS 205 Ca 0.60 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.95 1wpg n LYS 205 Cb 0.32 -1.41 0.15 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.91 2.90 -4.45 4.39 2.04 -1.25 -1.15 115.26 116.83 1wpg n ASN 206 Ca 0.10 -1.98 -0.28 0.00 -0.44 0.00 0.00 54.58 51.99 1wpg n ASN 206 Cb 0.05 -0.22 -0.12 0.00 -2.53 0.00 0.00 39.78 36.96 1wpg n ASN 206 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1wpg s MET 207 N -1.00 1.61 -0.06 -3.83 -1.94 -0.91 -0.94 119.30 112.23 1wpg s MET 207 Ca 0.23 -1.40 0.06 0.00 -1.71 0.00 0.00 55.69 52.87 1wpg s MET 207 Cb 0.12 -1.94 -0.01 0.00 2.01 0.00 0.00 34.83 35.01 1wpg s MET 207 CO 0.16 0.43 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.84 1wpg s LEU 208 N -2.47 2.06 -0.09 -0.03 1.43 0.13 -4.92 118.68 114.79 1wpg s LEU 208 Ca 0.19 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1wpg s LEU 208 Cb -0.09 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1wpg s LEU 208 CO 0.10 0.24 -0.10 -0.36 0.23 0.00 0.00 176.35 176.46 1wpg s PHE 209 N -0.17 2.86 0.12 0.29 0.40 -1.26 -0.13 117.98 120.09 1wpg s PHE 209 Ca -0.03 -0.21 -0.35 0.00 -0.60 0.00 0.00 56.93 55.74 1wpg s PHE 209 Cb -0.14 -1.75 -0.15 0.00 0.51 0.00 0.00 43.02 41.49 1wpg s PHE 209 CO 0.03 0.13 1.51 0.45 0.70 0.00 0.00 175.22 178.04 1wpg n SER 210 N 2.71 2.59 0.00 1.36 2.88 -1.18 -1.67 113.62 120.31 1wpg n SER 210 Ca -0.18 1.09 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 3.14 3.14 3.86 0.46 0.00 -0.76 -4.53 105.19 110.50 1wpg n GLY 211 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.82 2.60 0.05 2.61 2.01 -0.67 -4.81 115.64 114.61 1wpg s THR 212 Ca 0.00 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1wpg s THR 212 Cb 0.00 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1wpg s THR 212 CO 0.00 -0.25 -0.08 0.54 -0.69 0.00 0.00 174.62 174.14 1wpg s ASN 213 N -4.29 0.96 -0.21 3.53 4.22 -1.14 -0.20 114.94 117.81 1wpg s ASN 213 Ca 0.61 -0.63 -0.23 0.00 -2.14 0.00 0.00 52.86 50.47 1wpg s ASN 213 Cb -0.12 0.04 -0.02 0.00 1.28 0.00 0.00 41.25 42.43 1wpg s ASN 213 CO 0.52 -0.24 0.74 -0.63 -2.04 0.00 0.00 177.10 175.45 1wpg s ILE 214 N -1.73 4.93 0.08 0.54 1.09 -0.29 -1.69 121.20 124.13 1wpg s ILE 214 Ca -0.06 1.40 0.04 0.00 -1.10 0.00 0.00 60.65 60.94 1wpg s ILE 214 Cb -0.08 -4.04 -0.24 0.00 -1.06 0.00 0.00 42.46 37.05 1wpg s ILE 214 CO -0.00 0.03 1.13 0.00 -0.10 0.00 0.00 174.94 176.00 1wpg h ALA 215 N 7.54 0.34 -1.61 9.38 0.00 -0.71 0.12 119.26 134.31 1wpg h ALA 215 Ca -0.28 -0.99 0.06 0.00 0.00 0.00 0.00 54.91 53.70 1wpg h ALA 215 Cb 1.12 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.68 1wpg h ALA 215 CO 0.82 1.22 0.49 0.00 0.00 0.00 0.00 179.25 181.78 1wpg s ALA 216 N -2.68 -1.93 0.00 0.00 0.00 -1.04 -4.69 121.76 111.42 1wpg s ALA 216 Ca -0.02 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1wpg s ALA 216 Cb 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1wpg s ALA 216 CO 0.84 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1wpg n GLY 217 N 1.05 -1.74 3.39 0.00 0.00 -1.26 0.06 105.19 106.69 1wpg n GLY 217 Ca -0.11 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.33 0.53 0.14 1.61 2.20 -1.26 -1.22 119.74 121.42 1wpg s LYS 218 Ca 0.00 0.82 -0.15 0.00 -0.36 0.00 0.00 55.97 56.28 1wpg s LYS 218 Cb 0.00 0.15 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1wpg s LYS 218 CO 0.00 -0.12 0.40 0.00 -0.36 0.00 0.00 175.35 175.27 1wpg s ALA 219 N 0.91 -0.74 -0.01 3.13 0.00 -0.65 -0.73 121.76 123.66 1wpg s ALA 219 Ca -0.05 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1wpg s ALA 219 Cb -0.06 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1wpg s ALA 219 CO -0.08 -0.67 -0.22 -1.17 0.00 0.00 0.00 175.76 173.62 1wpg s LEU 220 N -2.85 2.33 0.00 0.00 2.96 0.89 -2.16 118.68 119.85 1wpg s LEU 220 Ca 0.07 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1wpg s LEU 220 Cb 0.02 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1wpg s LEU 220 CO -0.08 0.31 0.40 0.61 -1.32 0.00 0.00 176.35 176.27 1wpg n GLY 221 N 2.17 2.11 3.17 7.98 0.00 -0.64 -0.03 105.19 119.95 1wpg n GLY 221 Ca -0.16 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1wpg n GLY 221 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wpg s ILE 222 N -2.61 1.67 0.13 -0.61 2.07 -0.06 -1.47 121.20 120.32 1wpg s ILE 222 Ca 0.18 -0.84 -0.31 0.00 -1.41 0.00 0.00 60.65 58.27 1wpg s ILE 222 Cb -0.01 -1.44 -0.09 0.00 0.13 0.00 0.00 42.46 41.05 1wpg s ILE 222 CO 0.13 0.47 1.46 -0.69 -1.91 0.00 0.00 174.94 174.40 1wpg s VAL 223 N 0.09 3.04 -0.26 4.00 1.01 -0.79 -1.03 120.40 126.47 1wpg s VAL 223 Ca -0.07 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1wpg s VAL 223 Cb -0.14 -3.48 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 1wpg s VAL 223 CO 0.04 0.06 -0.23 0.00 0.00 0.00 0.00 175.10 174.97 1wpg n ALA 224 N 3.98 1.35 -2.65 5.51 0.00 -0.02 -0.70 120.51 127.98 1wpg n ALA 224 Ca 0.12 -1.08 -0.09 0.00 0.00 0.00 0.00 53.44 52.40 1wpg n ALA 224 Cb 0.41 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.52 0.13 0.29 0.00 -4.23 -1.13 -2.06 115.64 106.13 1wpg s THR 225 Ca -0.35 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1wpg s THR 225 Cb 0.10 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 1wpg s THR 225 CO 0.58 -0.58 0.30 0.35 -0.54 0.00 0.00 174.62 174.74 1wpg n THR 226 N -0.07 0.00 -1.63 3.99 -2.24 -1.26 -2.51 114.28 110.56 1wpg n THR 226 Ca -0.15 -1.93 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1wpg n THR 226 Cb 0.63 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.53 3.06 0.15 3.38 0.00 -1.26 -1.95 105.19 108.03 1wpg n GLY 227 Ca 0.05 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1wpg n GLY 227 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpg h VAL 228 N 0.00 0.00 0.00 1.61 2.07 -1.91 -3.24 116.25 114.78 1wpg h VAL 228 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1wpg h VAL 228 Cb 0.00 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1wpg h VAL 228 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1wpg n SER 229 N -2.41 0.00 -4.85 0.57 7.64 -0.82 -3.86 113.62 109.89 1wpg n SER 229 Ca 0.03 -1.20 -0.22 0.00 1.01 0.00 0.00 58.87 58.48 1wpg n SER 229 Cb 0.31 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.00 2.40 0.13 0.44 -4.23 -1.22 -4.78 115.64 106.39 1wpg s THR 230 Ca 0.29 -0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 59.99 1wpg s THR 230 Cb 0.13 -2.75 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 1wpg s THR 230 CO 0.22 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.66 1wpg h GLU 231 N -0.18 0.60 0.00 3.99 4.39 -1.91 -0.31 114.58 121.16 1wpg h GLU 231 Ca -0.39 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1wpg h GLU 231 Cb 1.28 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1wpg h GLU 231 CO 0.46 0.56 0.00 0.97 -1.16 0.00 0.00 179.01 179.84 1wpg h ILE 232 N 0.51 0.00 -0.15 3.13 2.10 -1.93 -0.83 117.51 120.34 1wpg h ILE 232 Ca 0.14 -0.39 -0.19 0.00 1.08 0.00 0.00 64.86 65.49 1wpg h ILE 232 Cb 0.18 1.37 -0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1wpg h ILE 232 CO -0.01 0.00 -0.67 1.23 -1.08 0.00 0.00 178.15 177.61 1wpg h GLY 233 N 1.66 0.65 1.07 8.18 0.00 -1.36 -1.32 103.07 111.95 1wpg h GLY 233 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 1wpg h GLY 233 CO 0.00 0.76 0.16 0.50 0.00 0.00 0.00 176.54 177.96 1wpg h LYS 234 N 0.42 1.14 -0.53 4.80 1.57 0.32 0.45 116.57 124.75 1wpg h LYS 234 Ca -0.02 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1wpg h LYS 234 Cb 1.26 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1wpg h LYS 234 CO 0.13 1.01 0.34 0.82 -0.57 0.00 0.00 179.45 181.18 1wpg h ILE 235 N 1.08 1.14 -0.46 1.86 2.04 -1.22 -1.33 117.51 120.62 1wpg h ILE 235 Ca 0.22 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1wpg h ILE 235 Cb 0.39 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1wpg h ILE 235 CO 0.00 0.14 0.27 -0.09 0.00 0.00 0.00 178.15 178.47 1wpg h ARG 236 N 0.71 0.63 -0.83 2.37 1.12 -0.67 -0.72 114.38 116.99 1wpg h ARG 236 Ca 0.19 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.97 1wpg h ARG 236 Cb -0.07 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 29.73 1wpg h ARG 236 CO -0.04 0.47 0.38 -0.44 -3.11 0.00 0.00 179.97 177.23 1wpg h ASP 237 N 0.61 1.10 -0.01 -3.80 3.45 -0.60 -1.98 116.42 115.19 1wpg h ASP 237 Ca 0.16 -0.14 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1wpg h ASP 237 Cb 0.01 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 1wpg h ASP 237 CO -0.03 0.93 -0.16 1.56 -1.57 0.00 0.00 179.24 179.97 1wpg h GLN 238 N 1.19 0.33 0.00 3.56 1.08 -0.83 -1.29 115.11 119.14 1wpg h GLN 238 Ca 0.28 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1wpg h GLN 238 Cb 0.14 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1wpg h GLN 238 CO -0.03 0.50 0.00 0.52 -0.95 0.00 0.00 178.83 178.87 1wpg h MET 239 N 0.31 0.00 -1.75 1.46 2.86 -0.39 -3.15 114.93 114.27 1wpg h MET 239 Ca 0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1wpg h MET 239 Cb 0.48 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1wpg h MET 239 CO 0.03 0.00 0.08 0.00 1.06 0.00 0.00 176.91 178.08 1wpg n ALA 240 N -1.90 4.00 -2.36 6.32 0.00 -0.49 -4.68 120.51 121.41 1wpg n ALA 240 Ca 0.01 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1wpg n ALA 240 Cb 0.24 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1wpg n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg n ALA 241 N 1.11 5.03 0.04 0.00 0.00 -1.19 -4.75 120.51 120.75 1wpg n ALA 241 Ca 0.06 -4.21 -0.03 0.00 0.00 0.00 0.00 53.44 49.27 1wpg n ALA 241 Cb 0.53 -3.12 0.21 0.00 0.00 0.00 0.00 19.45 17.07 1wpg n ALA 241 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wpg h THR 242 N 4.05 1.28 -1.07 0.00 2.02 -1.93 -3.42 112.91 113.83 1wpg h THR 242 Ca 0.41 -1.34 -0.48 0.00 0.77 0.00 0.00 66.41 65.77 1wpg h THR 242 Cb 0.69 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1wpg h THR 242 CO 1.59 0.42 1.68 -0.62 0.37 0.00 0.00 175.52 178.96 1wpg n GLU 243 N -4.09 0.69 -2.71 6.66 -0.58 -1.26 -4.88 120.64 114.48 1wpg n GLU 243 Ca -0.01 -0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.30 1wpg n GLU 243 Cb 0.43 -2.79 -0.02 0.00 -0.57 0.00 0.00 31.44 28.48 1wpg n GLU 243 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1wpg s GLN 244 N 8.51 4.25 -0.16 3.49 0.74 -1.26 -5.03 119.66 130.20 1wpg s GLN 244 Ca 1.11 1.28 -0.09 0.00 0.05 0.00 0.00 55.36 57.71 1wpg s GLN 244 Cb -0.54 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 29.88 1wpg s GLN 244 CO 0.34 -0.59 0.16 0.34 -0.55 0.00 0.00 175.29 174.98 1wpg s ASP 245 N 1.22 6.32 0.23 6.67 -1.08 -1.26 -5.09 116.67 123.69 1wpg s ASP 245 Ca 0.42 0.37 -0.24 0.00 -0.52 0.00 0.00 52.55 52.58 1wpg s ASP 245 Cb -0.15 -2.09 -0.09 0.00 -1.46 0.00 0.00 42.92 39.13 1wpg s ASP 245 CO 0.07 0.27 0.83 -0.54 0.52 0.00 0.00 175.17 176.32 1wpg s LYS 246 N -0.25 4.52 1.13 4.34 1.02 -1.26 -5.06 119.74 124.17 1wpg s LYS 246 Ca 0.12 1.16 -0.13 0.00 0.02 0.00 0.00 55.97 57.15 1wpg s LYS 246 Cb -0.12 -3.03 0.26 0.00 -0.52 0.00 0.00 37.83 34.42 1wpg s LYS 246 CO 0.01 0.44 1.04 0.95 -0.92 0.00 0.00 175.35 176.87 1wpg s THR 247 N -1.39 2.04 0.16 2.17 -4.23 -1.26 -4.67 115.64 108.47 1wpg s THR 247 Ca 0.42 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.80 1wpg s THR 247 Cb -0.20 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.53 1wpg s THR 247 CO 0.25 -0.02 1.77 1.55 -0.54 0.00 0.00 174.62 177.63 1wpg h PRO 248 N -2.47 0.38 -0.89 3.99 0.13 -1.96 0.34 132.00 131.51 1wpg h PRO 248 Ca -0.60 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.49 1wpg h PRO 248 Cb 1.33 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1wpg h PRO 248 CO 0.51 0.25 0.48 1.25 -0.23 0.00 0.00 178.00 180.26 1wpg h LEU 249 N 0.39 1.12 -1.26 1.56 5.85 -1.92 0.10 115.31 121.16 1wpg h LEU 249 Ca 0.18 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1wpg h LEU 249 Cb 0.11 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1wpg h LEU 249 CO -0.14 0.91 -0.26 1.56 -0.34 0.00 0.00 178.44 180.17 1wpg h GLN 250 N 1.25 0.17 -0.30 1.25 4.20 -1.76 -0.86 115.11 119.07 1wpg h GLN 250 Ca 0.31 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.80 1wpg h GLN 250 Cb 0.04 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1wpg h GLN 250 CO -0.05 0.43 -0.49 1.96 -0.67 0.00 0.00 178.83 180.01 1wpg h GLN 251 N 0.16 0.82 -0.10 1.46 4.20 0.22 -2.13 115.11 119.74 1wpg h GLN 251 Ca 0.03 -0.49 -0.08 0.00 0.06 0.00 0.00 58.65 58.17 1wpg h GLN 251 Cb 0.55 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1wpg h GLN 251 CO 0.04 1.12 -0.29 0.87 -0.67 0.00 0.00 178.83 179.89 1wpg h LYS 252 N 0.65 0.18 0.00 1.46 1.79 -0.45 -2.38 116.57 117.82 1wpg h LYS 252 Ca 0.03 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 1wpg h LYS 252 Cb 1.08 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1wpg h LYS 252 CO 0.11 0.47 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.47 1wpg h LEU 253 N 0.17 0.00 0.06 2.94 4.07 -0.98 -2.94 115.31 118.62 1wpg h LEU 253 Ca 0.02 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.71 1wpg h LEU 253 Cb 0.61 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.36 1wpg h LEU 253 CO 0.04 0.40 -1.19 0.44 -1.08 0.00 0.00 178.44 177.06 1wpg h ASP 254 N 0.00 0.52 0.66 -0.43 3.32 -0.90 -3.06 116.42 116.53 1wpg h ASP 254 Ca -0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 1wpg h ASP 254 Cb 1.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1wpg h ASP 254 CO 0.05 1.37 -0.51 1.05 -1.72 0.00 0.00 179.24 179.48 1wpg h GLU 255 N 0.13 0.00 -0.23 3.56 4.11 -1.50 -2.36 114.58 118.29 1wpg h GLU 255 Ca -0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 1wpg h GLU 255 Cb 1.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1wpg h GLU 255 CO 0.20 0.51 0.13 0.35 0.07 0.00 0.00 179.01 180.28 1wpg h PHE 256 N 0.00 0.30 0.00 2.06 3.57 -1.51 -1.72 116.94 119.64 1wpg h PHE 256 Ca -0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1wpg h PHE 256 Cb 0.98 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1wpg h PHE 256 CO 0.00 0.25 -0.33 0.78 -2.23 0.00 0.00 178.31 176.77 1wpg h GLY 257 N 0.27 0.00 0.88 2.40 0.00 -1.42 -0.70 103.07 104.50 1wpg h GLY 257 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1wpg h GLY 257 CO -0.01 0.00 -0.42 0.83 0.00 0.00 0.00 176.54 176.93 1wpg h GLU 258 N 0.00 -1.14 -0.24 4.80 4.39 -0.83 0.16 114.58 121.73 1wpg h GLU 258 Ca -0.00 0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1wpg h GLU 258 Cb 0.62 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1wpg h GLU 258 CO 0.04 -0.76 -0.07 1.96 -1.16 0.00 0.00 179.01 179.02 1wpg h GLN 259 N -1.20 0.37 -0.29 2.33 1.08 -1.30 -2.83 115.11 113.28 1wpg h GLN 259 Ca -0.12 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1wpg h GLN 259 Cb 0.90 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1wpg h GLN 259 CO 0.20 0.46 0.10 1.25 -0.95 0.00 0.00 178.83 179.89 1wpg h LEU 260 N 0.35 0.42 -1.21 1.46 5.85 -1.01 0.75 115.31 121.93 1wpg h LEU 260 Ca 0.07 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1wpg h LEU 260 Cb 0.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1wpg h LEU 260 CO 0.02 0.50 0.00 0.77 -0.34 0.00 0.00 178.44 179.39 1wpg h SER 261 N 0.32 0.00 0.00 1.25 4.64 -0.72 -0.82 113.55 118.23 1wpg h SER 261 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1wpg h SER 261 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1wpg h SER 261 CO -0.00 0.00 -0.96 0.50 -0.87 0.00 0.00 176.83 175.49 1wpg h LYS 262 N 0.00 0.00 -0.93 4.77 1.63 -1.13 -3.30 116.57 117.61 1wpg h LYS 262 Ca 0.00 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1wpg h LYS 262 Cb 0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 1wpg h LYS 262 CO 0.00 0.82 0.59 0.28 -3.45 0.00 0.00 179.45 177.70 1wpg h VAL 263 N -1.00 1.07 0.46 2.00 2.07 -0.55 0.82 116.25 121.12 1wpg h VAL 263 Ca -0.25 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1wpg h VAL 263 Cb 1.11 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1wpg h VAL 263 CO -0.15 0.20 -0.51 0.40 0.02 0.00 0.00 177.57 177.53 1wpg h ILE 264 N 1.09 0.01 -0.56 4.57 2.04 -1.33 0.16 117.51 123.48 1wpg h ILE 264 Ca 0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1wpg h ILE 264 Cb 0.15 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1wpg h ILE 264 CO -0.17 0.00 0.36 0.77 0.00 0.00 0.00 178.15 179.11 1wpg h SER 265 N -0.98 0.66 -0.44 1.72 4.64 -1.57 -0.44 113.55 117.13 1wpg h SER 265 Ca -0.06 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1wpg h SER 265 Cb 0.87 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1wpg h SER 265 CO -0.09 0.49 0.28 0.25 -0.87 0.00 0.00 176.83 176.89 1wpg h LEU 266 N 0.77 0.52 -0.65 5.97 7.12 -0.22 0.33 115.31 129.15 1wpg h LEU 266 Ca 0.21 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 58.09 1wpg h LEU 266 Cb -0.06 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 39.92 1wpg h LEU 266 CO -0.04 0.39 -0.05 0.40 -0.13 0.00 0.00 178.44 179.01 1wpg h ILE 267 N 0.60 1.26 0.00 4.05 2.04 -0.00 -0.75 117.51 124.70 1wpg h ILE 267 Ca 0.16 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1wpg h ILE 267 Cb -0.05 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1wpg h ILE 267 CO -0.03 0.42 -0.02 0.00 0.00 0.00 0.00 178.15 178.52 1wpg h VAL 269 N 0.00 1.37 -0.48 0.00 2.07 -0.07 -2.84 116.25 116.30 1wpg h VAL 269 Ca -0.00 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.31 1wpg h VAL 269 Cb 0.03 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1wpg h VAL 269 CO 0.00 0.67 0.24 0.00 0.02 0.00 0.00 177.57 178.50 1wpg h ALA 270 N 0.31 0.60 -0.60 1.67 0.00 -0.00 -1.67 119.26 119.57 1wpg h ALA 270 Ca -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1wpg h ALA 270 Cb 1.58 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1wpg h ALA 270 CO 0.17 -0.12 0.20 0.28 0.00 0.00 0.00 179.25 179.78 1wpg h VAL 271 N 0.47 1.23 0.00 0.00 2.07 -1.18 0.26 116.25 119.09 1wpg h VAL 271 Ca 0.21 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1wpg h VAL 271 Cb 0.12 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1wpg h VAL 271 CO -0.15 0.29 0.00 1.87 0.02 0.00 0.00 177.57 179.60 1wpg n TRP 272 N -4.29 0.00 -0.04 1.57 -0.00 -0.83 -2.93 117.44 110.92 1wpg n TRP 272 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.52 1wpg n TRP 272 Cb 0.20 -0.33 -0.09 0.00 -0.00 0.00 0.00 31.31 31.09 1wpg n TRP 272 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1wpg n LEU 273 N -1.33 0.00 0.07 5.87 4.77 -0.53 -4.51 117.00 121.33 1wpg n LEU 273 Ca 0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1wpg n LEU 273 Cb 0.20 0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.67 1wpg n LEU 273 CO 0.19 0.22 0.58 0.40 -1.33 0.00 0.00 177.39 177.44 1wpg h ILE 274 N 0.00 1.33 -1.14 -0.08 2.04 -0.46 -3.29 117.51 115.91 1wpg h ILE 274 Ca -0.24 -1.67 -0.75 0.00 1.00 0.00 0.00 64.86 63.21 1wpg h ILE 274 Cb 1.45 1.75 -0.13 0.00 -0.74 0.00 0.00 36.82 39.15 1wpg h ILE 274 CO 0.01 0.50 2.26 0.59 0.00 0.00 0.00 178.15 181.51 1wpg n ASN 275 N -3.98 5.31 0.01 1.72 3.02 -1.15 -4.69 115.26 115.50 1wpg n ASN 275 Ca -0.02 -3.07 -0.12 0.00 -0.03 0.00 0.00 54.58 51.34 1wpg n ASN 275 Cb 0.53 -1.49 -0.09 0.00 -0.61 0.00 0.00 39.78 38.12 1wpg n ASN 275 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wpg h ILE 276 N 3.64 1.18 -1.02 2.41 2.04 -1.87 -3.35 117.51 120.54 1wpg h ILE 276 Ca 0.46 -1.31 -0.74 0.00 1.00 0.00 0.00 64.86 64.27 1wpg h ILE 276 Cb 0.59 1.98 -0.12 0.00 -0.74 0.00 0.00 36.82 38.53 1wpg h ILE 276 CO 1.65 0.30 2.37 0.61 0.00 0.00 0.00 178.15 183.09 1wpg n GLY 277 N 0.61 4.73 0.67 5.37 0.00 -1.26 -4.39 105.19 110.92 1wpg n GLY 277 Ca -0.08 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 1wpg n GLY 277 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wpg n HIS 278 N 4.07 0.00 -1.28 1.61 -0.00 -1.26 -4.69 115.22 113.67 1wpg n HIS 278 Ca 0.46 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.58 1wpg n HIS 278 Cb 0.35 -0.34 0.22 0.00 -0.12 0.00 0.00 29.99 30.09 1wpg n HIS 278 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1wpg n PHE 279 N -3.40 1.63 -0.01 1.57 3.01 -1.26 -4.47 117.46 114.54 1wpg n PHE 279 Ca -0.19 -1.48 -0.06 0.00 1.01 0.00 0.00 57.45 56.73 1wpg n PHE 279 Cb 0.64 -0.58 -0.13 0.00 -0.01 0.00 0.00 39.48 39.40 1wpg n PHE 279 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wpg n ASN 280 N -0.91 0.77 -4.83 4.37 5.03 -1.26 -4.92 115.26 113.52 1wpg n ASN 280 Ca 0.38 0.36 -0.31 0.00 0.87 0.00 0.00 54.58 55.88 1wpg n ASN 280 Cb 1.19 0.13 -0.05 0.00 -1.02 0.00 0.00 39.78 40.02 1wpg n ASN 280 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1wpg s ASP 281 N -5.92 5.86 -0.82 6.41 -4.77 -1.26 -5.00 116.67 111.17 1wpg s ASP 281 Ca -0.05 0.10 -0.21 0.00 -3.30 0.00 0.00 52.55 49.10 1wpg s ASP 281 Cb 0.08 -1.67 -0.18 0.00 -1.09 0.00 0.00 42.92 40.05 1wpg s ASP 281 CO 0.82 0.17 2.09 -2.65 0.70 0.00 0.00 175.17 176.31 1wpg n PRO 282 N 0.40 0.24 -4.27 2.11 -0.02 -1.26 -4.90 135.00 127.31 1wpg n PRO 282 Ca -0.07 -0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 60.13 1wpg n PRO 282 Cb 0.51 -3.08 -0.10 0.00 -0.02 0.00 0.00 33.50 30.81 1wpg n PRO 282 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wpg s VAL 283 N 11.91 4.34 -0.03 -1.45 0.11 -1.26 -4.98 120.40 129.04 1wpg s VAL 283 Ca 0.82 -0.21 0.11 0.00 -2.93 0.00 0.00 61.98 59.77 1wpg s VAL 283 Cb -0.18 -2.89 -0.16 0.00 -1.53 0.00 0.00 36.38 31.62 1wpg s VAL 283 CO 0.18 0.53 0.20 1.57 -3.33 0.00 0.00 175.10 174.24 1wpg n HIS 284 N 2.98 0.00 0.15 1.54 -0.00 -1.26 -4.52 115.22 114.10 1wpg n HIS 284 Ca -0.18 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.01 1wpg n HIS 284 Cb 0.53 -0.30 0.19 0.00 -0.12 0.00 0.00 29.99 30.29 1wpg n HIS 284 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1wpg h GLY 285 N 1.99 0.00 -7.61 1.57 0.00 -2.00 -3.37 103.07 93.65 1wpg h GLY 285 Ca -0.06 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.50 1wpg h GLY 285 CO 0.00 0.00 0.84 0.61 0.00 0.00 0.00 176.54 178.00 1wpg n GLY 286 N 0.42 3.89 3.76 4.60 0.00 -1.26 -4.95 105.19 111.64 1wpg n GLY 286 Ca -0.01 -2.35 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 1wpg n GLY 286 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wpg s SER 287 N 1.89 6.55 0.45 1.61 0.15 -1.24 -4.88 113.70 118.24 1wpg s SER 287 Ca 0.36 2.81 0.30 0.00 0.70 0.00 0.00 55.95 60.12 1wpg s SER 287 Cb -0.07 -2.64 1.21 0.00 -1.71 0.00 0.00 66.02 62.81 1wpg s SER 287 CO -0.04 -0.75 1.89 -0.25 1.20 0.00 0.00 173.24 175.28 1wpg h TRP 288 N 4.32 0.00 0.12 3.44 2.91 -1.95 -1.42 115.95 123.36 1wpg h TRP 288 Ca -0.48 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.22 1wpg h TRP 288 Cb 1.22 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 1wpg h TRP 288 CO 0.58 0.00 -1.71 0.82 -1.03 0.00 0.00 178.44 177.09 1wpg h ILE 289 N 0.00 0.82 -2.73 2.65 1.08 -2.02 -3.43 117.51 113.87 1wpg h ILE 289 Ca 0.00 -2.36 -0.60 0.00 -0.39 0.00 0.00 64.86 61.51 1wpg h ILE 289 Cb 0.49 2.57 -0.40 0.00 -3.07 0.00 0.00 36.82 36.41 1wpg h ILE 289 CO 0.00 0.77 -0.80 -0.13 -0.69 0.00 0.00 178.15 177.29 1wpg s ARG 290 N -2.52 1.28 0.00 2.37 3.00 -1.09 -4.84 118.95 117.15 1wpg s ARG 290 Ca -0.21 -2.21 0.00 0.00 0.00 0.00 0.00 55.73 53.31 1wpg s ARG 290 Cb 0.06 -2.08 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1wpg s ARG 290 CO 0.76 -1.27 0.00 0.41 0.00 0.00 0.00 175.30 175.20 1wpg n GLY 291 N 3.06 0.69 0.00 -3.53 0.00 -0.56 -3.61 105.19 101.25 1wpg n GLY 291 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1wpg n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg n ALA 292 N 0.00 2.34 0.26 4.61 0.00 -1.26 -3.43 120.51 123.03 1wpg n ALA 292 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1wpg n ALA 292 Cb 0.00 -1.12 0.58 0.00 0.00 0.00 0.00 19.45 18.91 1wpg n ALA 292 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wpg h ILE 293 N 0.00 0.00 -0.08 0.00 2.10 -1.96 -1.39 117.51 116.17 1wpg h ILE 293 Ca 0.00 -0.10 -0.23 0.00 1.08 0.00 0.00 64.86 65.61 1wpg h ILE 293 Cb 0.00 0.70 0.01 0.00 -1.09 0.00 0.00 36.82 36.44 1wpg h ILE 293 CO 0.00 0.00 -0.85 0.22 -1.08 0.00 0.00 178.15 176.44 1wpg h TYR 294 N 0.00 0.91 0.21 2.19 3.20 -1.99 -3.04 116.97 118.45 1wpg h TYR 294 Ca 0.00 -0.44 -0.27 0.00 3.14 0.00 0.00 58.73 61.16 1wpg h TYR 294 Cb 0.15 -0.13 0.03 0.00 1.54 0.00 0.00 36.73 38.32 1wpg h TYR 294 CO 0.00 1.26 -1.20 1.88 -1.64 0.00 0.00 178.16 178.45 1wpg h TYR 295 N 0.42 0.80 0.00 -3.82 -1.99 -1.56 -3.05 116.97 107.77 1wpg h TYR 295 Ca -0.07 -0.59 0.00 0.00 2.00 0.00 0.00 58.73 60.07 1wpg h TYR 295 Cb 1.48 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.18 1wpg h TYR 295 CO 0.08 1.46 0.00 1.19 -0.00 0.00 0.00 178.16 180.89 1wpg n PHE 296 N -3.89 0.00 -0.12 4.88 3.01 -0.89 -0.14 117.46 120.31 1wpg n PHE 296 Ca -0.16 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.05 1wpg n PHE 296 Cb 0.99 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.35 1wpg n PHE 296 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1wpg n LYS 297 N -1.00 0.60 0.08 -1.08 4.81 -1.15 -4.09 118.16 116.33 1wpg n LYS 297 Ca 0.10 0.36 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 1wpg n LYS 297 Cb 0.05 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1wpg n LYS 297 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1wpg h ILE 298 N -0.81 1.44 -0.80 3.15 2.04 -1.31 -2.67 117.51 118.55 1wpg h ILE 298 Ca -0.55 -2.43 0.07 0.00 1.00 0.00 0.00 64.86 62.94 1wpg h ILE 298 Cb 1.58 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 39.95 1wpg h ILE 298 CO -0.28 0.72 0.52 0.00 0.00 0.00 0.00 178.15 179.11 1wpg h ALA 299 N 0.94 1.64 0.07 1.87 0.00 -0.75 0.36 119.26 123.39 1wpg h ALA 299 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wpg h ALA 299 Cb 1.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wpg h ALA 299 CO 0.13 0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.86 1wpg h VAL 300 N 0.86 1.21 -0.53 0.00 2.07 -1.69 -2.81 116.25 115.35 1wpg h VAL 300 Ca 0.35 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.56 1wpg h VAL 300 Cb 0.26 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1wpg h VAL 300 CO -0.13 0.32 0.36 0.00 0.02 0.00 0.00 177.57 178.15 1wpg h ALA 301 N 0.01 2.04 -0.09 1.67 0.00 -1.08 -1.42 119.26 120.39 1wpg h ALA 301 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wpg h ALA 301 Cb 0.60 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wpg h ALA 301 CO 0.02 -0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.00 1wpg h LEU 302 N 0.35 0.19 0.26 0.00 3.38 -0.32 -1.86 115.31 117.31 1wpg h LEU 302 Ca 0.24 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1wpg h LEU 302 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wpg h LEU 302 CO -0.06 0.56 -0.13 0.00 0.09 0.00 0.00 178.44 178.90 1wpg h ALA 303 N 0.64 -0.35 -0.05 1.53 0.00 -1.13 -0.10 119.26 119.79 1wpg h ALA 303 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wpg h ALA 303 Cb 0.48 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wpg h ALA 303 CO 0.01 -0.70 0.05 0.28 0.00 0.00 0.00 179.25 178.90 1wpg h VAL 304 N -0.36 0.61 0.15 0.00 2.07 -1.33 -0.66 116.25 116.74 1wpg h VAL 304 Ca -0.04 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.18 1wpg h VAL 304 Cb 0.27 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1wpg h VAL 304 CO 0.06 0.00 -1.40 0.00 0.02 0.00 0.00 177.57 176.25 1wpg h ALA 305 N 1.94 0.10 0.12 1.67 0.00 -0.62 -3.37 119.26 119.10 1wpg h ALA 305 Ca 0.03 -0.96 -0.21 0.00 0.00 0.00 0.00 54.91 53.76 1wpg h ALA 305 Cb 0.13 0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wpg h ALA 305 CO -0.00 0.97 -0.91 0.00 0.00 0.00 0.00 179.25 179.31 1wpg h ALA 306 N 0.45 -0.06 -2.31 0.00 0.00 -0.33 -3.40 119.26 113.62 1wpg h ALA 306 Ca -0.20 -0.70 -0.55 0.00 0.00 0.00 0.00 54.91 53.46 1wpg h ALA 306 Cb 2.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 1wpg h ALA 306 CO 0.20 0.45 0.79 0.42 0.00 0.00 0.00 179.25 181.12 1wpg s ILE 307 N -2.69 4.04 -1.38 0.00 -1.09 -0.32 -4.84 121.20 114.91 1wpg s ILE 307 Ca -0.12 1.37 -0.13 0.00 -2.23 0.00 0.00 60.65 59.54 1wpg s ILE 307 Cb 0.02 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 37.11 1wpg s ILE 307 CO 0.86 -0.02 2.06 -0.81 -1.23 0.00 0.00 174.94 175.79 1wpg n PRO 308 N 5.55 3.15 -0.47 2.79 -0.04 -1.26 -4.82 135.00 139.91 1wpg n PRO 308 Ca 0.12 -3.00 0.39 0.00 -0.04 0.00 0.00 63.50 60.98 1wpg n PRO 308 Cb 0.45 -3.17 0.66 0.00 -0.04 0.00 0.00 33.50 31.40 1wpg n PRO 308 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wpg n GLU 309 N 5.43 -0.03 0.00 0.54 4.71 -1.26 -0.29 120.64 129.73 1wpg n GLU 309 Ca 0.47 1.19 0.13 0.00 -0.01 0.00 0.00 57.16 58.94 1wpg n GLU 309 Cb 0.39 -2.37 0.34 0.00 -1.01 0.00 0.00 31.44 28.79 1wpg n GLU 309 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wpg n GLY 310 N -1.52 -0.82 0.18 0.62 0.00 -1.03 -4.40 105.19 98.21 1wpg n GLY 310 Ca 0.39 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.80 -0.42 -2.30 0.99 5.85 -0.91 -1.82 115.31 117.51 1wpg h LEU 311 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1wpg h LEU 311 Cb 0.50 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1wpg h LEU 311 CO 0.00 -0.19 0.14 1.55 -0.34 0.00 0.00 178.44 179.60 1wpg h PRO 312 N -0.19 0.00 0.13 5.25 0.13 -1.77 -1.39 132.00 134.16 1wpg h PRO 312 Ca 0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.86 1wpg h PRO 312 Cb 0.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1wpg h PRO 312 CO -0.19 0.00 -1.84 0.00 -0.23 0.00 0.00 178.00 175.74 1wpg h ALA 313 N 1.71 0.37 -0.01 -0.56 0.00 -1.62 -3.23 119.26 115.91 1wpg h ALA 313 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 54.91 53.48 1wpg h ALA 313 Cb 0.28 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1wpg h ALA 313 CO 0.00 1.24 -0.62 -0.24 0.00 0.00 0.00 179.25 179.63 1wpg h VAL 314 N 0.07 1.44 0.11 0.00 3.04 -0.86 -2.12 116.25 117.93 1wpg h VAL 314 Ca -0.36 -2.11 -0.01 0.00 -1.01 0.00 0.00 66.70 63.22 1wpg h VAL 314 Cb 2.05 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 33.45 1wpg h VAL 314 CO 0.12 0.61 -0.05 0.40 -1.01 0.00 0.00 177.57 177.64 1wpg h ILE 315 N 0.04 1.06 -0.86 3.17 2.04 -1.43 -1.03 117.51 120.49 1wpg h ILE 315 Ca -0.01 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1wpg h ILE 315 Cb 1.11 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1wpg h ILE 315 CO 0.08 0.16 0.50 0.74 0.00 0.00 0.00 178.15 179.63 1wpg h THR 316 N -0.45 1.24 -0.60 -0.27 2.02 -1.56 0.12 112.91 113.42 1wpg h THR 316 Ca -0.01 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 1wpg h THR 316 Cb 0.37 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1wpg h THR 316 CO 0.02 0.26 0.05 0.74 0.37 0.00 0.00 175.52 176.97 1wpg h THR 317 N 1.20 1.26 -0.29 3.16 2.02 -1.30 0.18 112.91 119.14 1wpg h THR 317 Ca 0.31 -1.05 -0.11 0.00 0.77 0.00 0.00 66.41 66.33 1wpg h THR 317 Cb -0.02 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1wpg h THR 317 CO -0.05 0.39 -0.25 0.00 0.37 0.00 0.00 175.52 175.98 1wpg h LEU 319 N 0.42 0.87 -0.68 0.00 4.07 -0.58 -1.10 115.31 118.31 1wpg h LEU 319 Ca 0.05 -0.24 -0.05 0.00 0.08 0.00 0.00 57.88 57.72 1wpg h LEU 319 Cb 0.80 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1wpg h LEU 319 CO 0.06 0.96 0.23 0.00 -1.08 0.00 0.00 178.44 178.61 1wpg h ALA 320 N 1.13 0.88 -0.61 1.53 0.00 -0.56 0.90 119.26 122.53 1wpg h ALA 320 Ca 0.15 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1wpg h ALA 320 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1wpg h ALA 320 CO 0.03 0.54 0.08 -0.07 0.00 0.00 0.00 179.25 179.82 1wpg h LEU 321 N 0.98 0.99 -0.61 0.00 3.38 -1.08 -2.42 115.31 116.54 1wpg h LEU 321 Ca 0.22 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1wpg h LEU 321 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1wpg h LEU 321 CO -0.01 1.01 0.12 1.23 0.09 0.00 0.00 178.44 180.88 1wpg h GLY 322 N 0.93 1.07 0.68 0.83 0.00 -0.75 -2.37 103.07 103.47 1wpg h GLY 322 Ca 0.18 -0.70 0.06 0.00 0.00 0.00 0.00 47.33 46.87 1wpg h GLY 322 CO 0.02 0.65 0.37 -0.84 0.00 0.00 0.00 176.54 176.73 1wpg h THR 323 N 0.91 0.97 -0.16 4.70 2.02 -0.59 -0.61 112.91 120.14 1wpg h THR 323 Ca 0.19 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1wpg h THR 323 Cb 0.39 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1wpg h THR 323 CO 0.01 0.12 -0.30 0.03 0.37 0.00 0.00 175.52 175.75 1wpg h ARG 324 N 0.68 0.31 -0.56 6.66 3.08 -1.29 -1.46 114.38 121.80 1wpg h ARG 324 Ca 0.30 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1wpg h ARG 324 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1wpg h ARG 324 CO -0.18 0.58 0.13 -0.09 -1.07 0.00 0.00 179.97 179.34 1wpg h ARG 325 N 0.27 0.90 -0.17 0.04 2.43 -0.65 -2.66 114.38 114.54 1wpg h ARG 325 Ca 0.04 -0.22 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 1wpg h ARG 325 Cb 0.67 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1wpg h ARG 325 CO 0.05 0.85 -0.57 0.52 -1.51 0.00 0.00 179.97 179.31 1wpg h MET 326 N 0.80 0.54 -0.03 0.20 2.86 -0.92 -2.67 114.93 115.71 1wpg h MET 326 Ca 0.18 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1wpg h MET 326 Cb 0.36 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1wpg h MET 326 CO 0.00 0.96 0.02 0.00 1.06 0.00 0.00 176.91 178.96 1wpg h ALA 327 N 0.97 2.03 0.00 6.32 0.00 -1.04 0.64 119.26 128.17 1wpg h ALA 327 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1wpg h ALA 327 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wpg h ALA 327 CO 0.11 -0.04 -0.18 -0.22 0.00 0.00 0.00 179.25 178.91 1wpg h LYS 328 N 0.00 0.00 -0.66 0.00 3.64 -1.12 -0.69 116.57 117.74 1wpg h LYS 328 Ca 0.02 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1wpg h LYS 328 Cb 0.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1wpg h LYS 328 CO -0.00 0.18 0.09 1.63 -2.27 0.00 0.00 179.45 179.09 1wpg n LYS 329 N -3.78 4.35 -2.26 1.90 5.02 0.21 -4.91 118.16 118.69 1wpg n LYS 329 Ca -0.02 -2.98 -0.16 0.00 -2.02 0.00 0.00 58.31 53.13 1wpg n LYS 329 Cb 0.29 -2.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.07 1wpg n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wpg n ASN 330 N 0.34 -4.78 -4.07 4.39 3.02 -0.26 -4.89 115.26 109.01 1wpg n ASN 330 Ca 0.31 0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.53 1wpg n ASN 330 Cb 1.23 -3.89 -0.13 0.00 -0.61 0.00 0.00 39.78 36.38 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 -2.79 3.13 -0.30 5.41 0.00 -0.34 -1.84 121.76 125.03 1wpg s ALA 331 Ca 0.00 -2.68 -0.25 0.00 0.00 0.00 0.00 51.96 49.03 1wpg s ALA 331 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1wpg s ALA 331 CO 0.00 -1.82 0.87 0.42 0.00 0.00 0.00 175.76 175.24 1wpg s ILE 332 N 0.82 4.73 -0.20 0.00 1.01 -0.17 -2.67 121.20 124.71 1wpg s ILE 332 Ca 0.11 1.40 -0.12 0.00 0.00 0.00 0.00 60.65 62.04 1wpg s ILE 332 Cb -0.22 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1wpg s ILE 332 CO -0.05 -0.27 0.23 -0.69 0.00 0.00 0.00 174.94 174.15 1wpg s VAL 333 N 3.11 5.34 -0.06 2.92 1.01 -1.26 -0.46 120.40 130.99 1wpg s VAL 333 Ca 0.36 0.37 0.22 0.00 0.00 0.00 0.00 61.98 62.93 1wpg s VAL 333 Cb -0.14 -3.56 -0.32 0.00 0.00 0.00 0.00 36.38 32.36 1wpg s VAL 333 CO 0.12 0.37 0.52 0.54 0.00 0.00 0.00 175.10 176.65 1wpg n ARG 334 N 3.86 0.64 -3.98 2.72 1.74 0.17 -4.83 116.66 116.98 1wpg n ARG 334 Ca -0.13 -0.18 -0.31 0.00 -0.77 0.00 0.00 57.85 56.46 1wpg n ARG 334 Cb 0.52 -1.54 -0.16 0.00 -1.02 0.00 0.00 32.46 30.27 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 -4.53 3.84 0.17 0.55 0.15 -1.14 -5.04 113.70 107.70 1wpg s SER 335 Ca -0.07 -1.14 -0.14 0.00 0.70 0.00 0.00 55.95 55.30 1wpg s SER 335 Cb 0.14 -1.27 0.13 0.00 -1.71 0.00 0.00 66.02 63.31 1wpg s SER 335 CO 0.90 -0.20 1.76 -0.07 1.20 0.00 0.00 173.24 176.83 1wpg h LEU 336 N 7.92 0.21 -0.39 3.45 -0.00 -1.92 -2.06 115.31 122.53 1wpg h LEU 336 Ca -0.21 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1wpg h LEU 336 Cb 1.07 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1wpg h LEU 336 CO 0.44 0.15 0.00 -0.81 -0.00 0.00 0.00 178.44 178.22 1wpg n PRO 337 N -4.98 0.58 -0.05 1.13 -0.04 -1.26 -2.82 135.00 127.56 1wpg n PRO 337 Ca 0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1wpg n PRO 337 Cb 0.17 -1.11 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1wpg n PRO 337 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wpg n SER 338 N -0.23 0.86 -0.28 3.54 7.64 -0.77 -4.00 113.62 120.38 1wpg n SER 338 Ca 0.00 0.21 0.06 0.00 1.01 0.00 0.00 58.87 60.16 1wpg n SER 338 Cb 0.06 0.13 0.21 0.00 -1.01 0.00 0.00 64.21 63.60 1wpg n SER 338 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1wpg h VAL 339 N 0.01 0.70 0.06 0.44 -1.51 -1.67 0.34 116.25 114.62 1wpg h VAL 339 Ca -0.41 -0.19 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1wpg h VAL 339 Cb 2.08 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1wpg h VAL 339 CO 0.05 0.10 -0.03 1.05 -1.23 0.00 0.00 177.57 177.51 1wpg h GLU 340 N 0.55 -0.08 -0.98 5.19 4.11 -1.79 -3.25 114.58 118.33 1wpg h GLU 340 Ca 0.44 0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.95 1wpg h GLU 340 Cb 0.65 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 1wpg h GLU 340 CO -0.38 0.27 0.64 1.15 0.07 0.00 0.00 179.01 180.76 1wpg h THR 341 N -0.44 1.08 -0.47 -1.06 2.02 -1.47 -1.79 112.91 110.78 1wpg h THR 341 Ca -0.01 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 66.89 1wpg h THR 341 Cb 0.39 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1wpg h THR 341 CO 0.01 0.21 0.33 0.25 0.37 0.00 0.00 175.52 176.69 1wpg h LEU 342 N 1.14 0.16 -0.45 2.58 6.46 -1.00 0.11 115.31 124.31 1wpg h LEU 342 Ca 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 1wpg h LEU 342 Cb 0.19 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1wpg h LEU 342 CO -0.17 0.10 0.00 0.61 -0.62 0.00 0.00 178.44 178.36 1wpg n GLY 343 N -1.57 -1.40 0.77 3.75 0.00 -0.67 -2.36 105.19 103.71 1wpg n GLY 343 Ca 0.08 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1wpg n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg n THR 345 N 0.83 0.25 -0.01 0.00 -1.04 -0.99 -4.52 114.28 108.79 1wpg n THR 345 Ca 0.14 -0.04 0.02 0.00 -2.04 0.00 0.00 64.05 62.13 1wpg n THR 345 Cb 0.53 -1.99 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 1wpg n THR 345 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1wpg n SER 346 N 5.02 2.84 -3.82 8.00 3.41 -0.66 -4.78 113.62 123.64 1wpg n SER 346 Ca 0.18 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.58 1wpg n SER 346 Cb 0.35 1.25 -0.17 0.00 -0.26 0.00 0.00 64.21 65.37 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 -2.54 0.41 -0.35 -3.33 1.01 -1.19 -1.48 120.40 112.93 1wpg s VAL 347 Ca -0.04 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1wpg s VAL 347 Cb 0.05 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1wpg s VAL 347 CO 0.38 0.24 0.13 -0.63 0.00 0.00 0.00 175.10 175.22 1wpg s ILE 348 N 1.51 3.87 0.19 2.22 1.01 1.00 -1.15 121.20 129.85 1wpg s ILE 348 Ca -0.02 -1.16 -0.22 0.00 0.00 0.00 0.00 60.65 59.25 1wpg s ILE 348 Cb -0.13 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 1wpg s ILE 348 CO -0.03 -0.23 0.74 0.00 0.00 0.00 0.00 174.94 175.42 1wpg s SER 350 N -1.43 -0.20 0.77 0.00 0.15 0.29 -1.04 113.70 112.23 1wpg s SER 350 Ca 0.40 0.41 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 1wpg s SER 350 Cb -0.19 0.37 0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1wpg s SER 350 CO 0.23 -0.11 1.11 -0.62 1.20 0.00 0.00 173.24 175.05 1wpg s ASP 351 N 0.59 4.40 0.00 5.45 3.68 -0.41 -0.31 116.67 130.06 1wpg s ASP 351 Ca -0.04 1.92 0.00 0.00 2.13 0.00 0.00 52.55 56.56 1wpg s ASP 351 Cb -0.05 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.88 1wpg s ASP 351 CO -0.03 -2.11 0.00 1.17 0.13 0.00 0.00 175.17 174.33 1wpg n LYS 352 N -3.39 0.00 -1.64 4.34 4.81 -1.26 -3.52 118.16 117.50 1wpg n LYS 352 Ca 0.10 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 57.05 1wpg n LYS 352 Cb 0.53 -0.26 -0.05 0.00 0.02 0.00 0.00 35.03 35.26 1wpg n LYS 352 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1wpg n THR 353 N -2.00 0.47 0.00 3.15 -1.04 -1.26 0.71 114.28 114.32 1wpg n THR 353 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1wpg n THR 353 Cb 0.00 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 1wpg n THR 353 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wpg n GLY 354 N 4.81 2.32 0.54 3.41 0.00 -1.05 -4.77 105.19 110.44 1wpg n GLY 354 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.09 2.61 -1.04 -0.27 -4.72 114.28 108.95 1wpg n THR 355 Ca 0.00 0.21 -0.06 0.00 -2.04 0.00 0.00 64.05 62.16 1wpg n THR 355 Cb 0.00 -1.20 0.06 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.00 0.24-10.22 -4.42 4.07 0.24 -3.46 115.31 101.76 1wpg h LEU 356 Ca 0.00 -0.16 -0.57 0.00 0.08 0.00 0.00 57.88 57.23 1wpg h LEU 356 Cb 0.00 -0.07 -0.06 0.00 1.08 0.00 0.00 40.66 41.61 1wpg h LEU 356 CO 0.00 0.88 -0.36 0.42 -1.08 0.00 0.00 178.44 178.30 1wpg s THR 357 N -3.49 1.94 -0.68 0.22 -4.23 -0.61 -0.93 115.64 107.86 1wpg s THR 357 Ca -0.03 -1.52 0.25 0.00 -1.18 0.00 0.00 61.69 59.20 1wpg s THR 357 Cb 0.11 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.62 1wpg s THR 357 CO 0.81 0.00 1.49 0.35 -0.54 0.00 0.00 174.62 176.73 1wpg n THR 358 N -1.61 0.43 -3.58 3.99 -2.24 -0.71 -2.53 114.28 108.04 1wpg n THR 358 Ca -0.01 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 1wpg n THR 358 Cb 0.64 -0.29 0.08 0.00 -2.10 0.00 0.00 70.33 68.66 1wpg n THR 358 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wpg n ASN 359 N -2.15 -5.94 -3.57 3.42 4.05 -1.26 -4.65 115.26 105.15 1wpg n ASN 359 Ca 0.04 -0.54 -0.29 0.00 0.45 0.00 0.00 54.58 54.24 1wpg n ASN 359 Cb 0.43 -5.02 -0.15 0.00 1.23 0.00 0.00 39.78 36.27 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 -6.21 0.32 0.03 1.20 -0.21 -1.26 -4.94 119.66 108.58 1wpg s GLN 360 Ca 0.53 -0.69 -0.36 0.00 0.02 0.00 0.00 55.36 54.85 1wpg s GLN 360 Cb -0.23 -1.33 -0.16 0.00 1.00 0.00 0.00 33.01 32.29 1wpg s GLN 360 CO 0.73 -1.03 1.50 -1.33 -2.12 0.00 0.00 175.29 173.04 1wpg n MET 361 N 5.09 1.45 -4.27 2.91 2.81 -1.26 -4.48 117.12 119.37 1wpg n MET 361 Ca -0.04 0.52 -0.21 0.00 -1.81 0.00 0.00 57.70 56.17 1wpg n MET 361 Cb 0.42 -2.22 -0.16 0.00 -0.71 0.00 0.00 33.22 30.55 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 1.32 1.09 -0.18 7.83 0.01 -0.65 -4.36 113.70 118.77 1wpg s SER 362 Ca 0.86 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.66 1wpg s SER 362 Cb -0.89 -0.49 -0.00 0.00 0.21 0.00 0.00 66.02 64.84 1wpg s SER 362 CO 0.48 -0.02 1.10 -0.69 0.41 0.00 0.00 173.24 174.52 1wpg s VAL 363 N 0.75 4.57 -0.35 3.43 1.01 -1.26 -1.64 120.40 126.90 1wpg s VAL 363 Ca -0.11 1.88 0.08 0.00 0.00 0.00 0.00 61.98 63.83 1wpg s VAL 363 Cb -0.14 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 1wpg s VAL 363 CO 0.01 -0.12 0.32 0.00 0.00 0.00 0.00 175.10 175.31 1wpg s LYS 365 N -1.74 0.49 0.16 0.00 1.02 -1.08 -0.18 119.74 118.41 1wpg s LYS 365 Ca 0.03 -0.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.80 1wpg s LYS 365 Cb 0.06 0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.62 1wpg s LYS 365 CO 0.32 -0.11 0.48 0.00 -0.92 0.00 0.00 175.35 175.11 1wpg s MET 366 N -0.81 1.24 0.09 1.68 0.23 -0.90 0.62 119.30 121.46 1wpg s MET 366 Ca -0.09 -0.76 -0.21 0.00 -1.03 0.00 0.00 55.69 53.60 1wpg s MET 366 Cb -0.05 0.50 0.05 0.00 -1.53 0.00 0.00 34.83 33.81 1wpg s MET 366 CO 0.02 -0.51 0.50 -0.59 -2.03 0.00 0.00 175.02 172.41 1wpg s PHE 367 N -3.83 -0.39 0.26 3.16 -0.71 -0.39 -1.29 117.98 114.80 1wpg s PHE 367 Ca 0.06 0.27 0.02 0.00 -1.04 0.00 0.00 56.93 56.24 1wpg s PHE 367 Cb 0.00 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1wpg s PHE 367 CO -0.08 -0.71 0.14 0.96 -1.34 0.00 0.00 175.22 174.20 1wpg s ILE 368 N -3.13 0.27 0.30 -4.49 -4.36 -1.02 -1.61 121.20 107.15 1wpg s ILE 368 Ca -0.02 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.09 1wpg s ILE 368 Cb -0.00 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 41.07 1wpg s ILE 368 CO -0.07 0.00 1.08 -0.63 0.24 0.00 0.00 174.94 175.56 1wpg s ILE 369 N -3.80 3.57 -0.13 8.37 -1.09 -1.26 -0.73 121.20 126.13 1wpg s ILE 369 Ca 0.38 1.52 -0.13 0.00 -2.23 0.00 0.00 60.65 60.18 1wpg s ILE 369 Cb 0.06 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1wpg s ILE 369 CO 0.16 0.31 -0.26 -0.67 -1.23 0.00 0.00 174.94 173.25 1wpg n ASP 370 N 1.01 1.53 -4.00 3.58 4.64 0.39 -4.57 116.55 119.13 1wpg n ASP 370 Ca -0.00 0.26 -0.09 0.00 -1.38 0.00 0.00 54.79 53.58 1wpg n ASP 370 Cb 0.46 -0.66 -0.11 0.00 -1.04 0.00 0.00 41.12 39.77 1wpg n ASP 370 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1wpg s LYS 371 N -2.50 0.43 -0.05 -0.67 1.02 -1.09 -4.88 119.74 111.99 1wpg s LYS 371 Ca -0.22 -0.79 -0.00 0.00 0.02 0.00 0.00 55.97 54.98 1wpg s LYS 371 Cb 0.03 0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1wpg s LYS 371 CO 0.32 -0.08 -0.01 0.08 -0.92 0.00 0.00 175.35 174.74 1wpg s VAL 372 N -2.28 0.35 -0.38 3.17 1.01 -1.26 -1.51 120.40 119.50 1wpg s VAL 372 Ca -0.08 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1wpg s VAL 372 Cb -0.04 -0.46 0.16 0.00 0.00 0.00 0.00 36.38 36.04 1wpg s VAL 372 CO -0.04 0.22 0.44 -0.62 0.00 0.00 0.00 175.10 175.11 1wpg s ASP 373 N 1.48 0.41 1.84 3.32 -1.08 0.71 -5.01 116.67 118.34 1wpg s ASP 373 Ca -0.03 -1.31 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1wpg s ASP 373 Cb -0.13 0.96 0.00 0.00 -1.46 0.00 0.00 42.92 42.29 1wpg s ASP 373 CO -0.03 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.03 1wpg n GLY 374 N 4.35 3.08 0.18 2.66 0.00 -1.26 -0.54 105.19 113.66 1wpg n GLY 374 Ca 0.11 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.53 1wpg n GLY 374 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wpg h ASP 375 N 0.00 0.00 -3.35 1.61 3.45 -1.99 -3.45 116.42 112.69 1wpg h ASP 375 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1wpg h ASP 375 Cb 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.72 1wpg h ASP 375 CO 0.00 0.00 0.04 0.12 -1.57 0.00 0.00 179.24 177.83 1wpg s PHE 376 N -3.24 3.63 -0.18 4.55 5.36 0.30 -4.83 117.98 123.57 1wpg s PHE 376 Ca 0.07 1.23 -0.04 0.00 -0.96 0.00 0.00 56.93 57.23 1wpg s PHE 376 Cb 0.09 -2.71 0.09 0.00 -0.34 0.00 0.00 43.02 40.14 1wpg s PHE 376 CO 0.60 0.22 0.27 0.00 -1.46 0.00 0.00 175.22 174.84 1wpg s SER 378 N 2.40 5.09 0.19 0.00 1.04 -0.57 -4.97 113.70 116.89 1wpg s SER 378 Ca 0.06 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.19 1wpg s SER 378 Cb -0.14 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 1wpg s SER 378 CO -0.11 0.01 -0.19 -0.76 0.98 0.00 0.00 173.24 173.16 1wpg s LEU 379 N -3.56 2.48 -0.45 2.42 1.43 -1.26 -0.47 118.68 119.27 1wpg s LEU 379 Ca 0.31 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1wpg s LEU 379 Cb -0.08 -0.90 0.11 0.00 0.03 0.00 0.00 46.19 45.34 1wpg s LEU 379 CO 0.22 -0.02 0.30 0.20 0.23 0.00 0.00 176.35 177.28 1wpg s ASN 380 N -2.88 5.61 -0.05 2.29 0.01 0.09 -4.65 114.94 115.37 1wpg s ASN 380 Ca 0.20 -1.81 -0.06 0.00 -0.71 0.00 0.00 52.86 50.47 1wpg s ASN 380 Cb -0.05 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 1wpg s ASN 380 CO 0.08 -0.63 0.21 -1.61 -1.51 0.00 0.00 177.10 173.65 1wpg s GLU 381 N 1.35 3.52 0.10 -0.60 2.02 -1.26 -2.44 118.70 121.38 1wpg s GLU 381 Ca 0.05 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.96 1wpg s GLU 381 Cb -0.25 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1wpg s GLU 381 CO -0.00 0.71 -0.09 -0.06 0.02 0.00 0.00 175.26 175.83 1wpg s PHE 382 N -1.18 1.04 0.25 1.61 0.40 -0.41 -4.76 117.98 114.92 1wpg s PHE 382 Ca 0.22 -0.72 0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1wpg s PHE 382 Cb -0.13 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.79 1wpg s PHE 382 CO 0.12 -0.02 -0.13 -1.54 0.70 0.00 0.00 175.22 174.34 1wpg s SER 383 N -2.65 3.95 -0.02 1.36 1.04 -0.29 -2.13 113.70 114.96 1wpg s SER 383 Ca 0.08 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.73 1wpg s SER 383 Cb -0.01 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 1wpg s SER 383 CO -0.01 0.05 -0.12 -0.63 0.98 0.00 0.00 173.24 173.51 1wpg s ILE 384 N -2.19 0.97 0.30 -1.02 -1.09 0.75 -0.49 121.20 118.44 1wpg s ILE 384 Ca 0.28 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.25 1wpg s ILE 384 Cb -0.06 -0.82 -0.02 0.00 -1.58 0.00 0.00 42.46 39.97 1wpg s ILE 384 CO 0.16 0.28 0.44 0.42 -1.23 0.00 0.00 174.94 175.01 1wpg s THR 385 N -0.15 4.62 0.00 2.92 -4.23 -0.65 -4.57 115.64 113.58 1wpg s THR 385 Ca 0.02 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1wpg s THR 385 Cb -0.06 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1wpg s THR 385 CO -0.00 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1wpg n GLY 386 N -1.58 2.79 0.01 3.99 0.00 -1.26 -4.14 105.19 105.00 1wpg n GLY 386 Ca -0.04 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.43 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 2.00 -4.19 1.61 7.64 -1.26 -4.93 113.62 114.50 1wpg n SER 387 Ca 0.00 -2.16 -0.23 0.00 1.01 0.00 0.00 58.87 57.49 1wpg n SER 387 Cb 0.00 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 1wpg n SER 387 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wpg s THR 388 N -1.29 0.69 -0.60 0.44 -4.23 -1.26 -4.64 115.64 104.75 1wpg s THR 388 Ca 0.05 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.81 1wpg s THR 388 Cb 0.05 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.65 1wpg s THR 388 CO 0.01 0.00 1.73 -1.22 -0.54 0.00 0.00 174.62 174.60 1wpg n TYR 389 N -0.79 0.80 -1.73 3.99 4.01 -1.26 -4.80 117.16 117.37 1wpg n TYR 389 Ca -0.04 0.28 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 1wpg n TYR 389 Cb 0.65 -0.96 -0.00 0.00 -0.31 0.00 0.00 39.34 38.72 1wpg n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wpg n ALA 390 N -1.76 1.81 -0.73 -0.72 0.00 -1.26 -4.77 120.51 113.09 1wpg n ALA 390 Ca 0.03 0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.76 1wpg n ALA 390 Cb 0.30 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.31 1wpg n ALA 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wpg n PRO 391 N 0.55 1.45 -4.14 0.00 -0.04 -1.26 -4.78 135.00 126.79 1wpg n PRO 391 Ca 0.03 -0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 62.56 1wpg n PRO 391 Cb 0.37 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.99 3.16 0.00 0.54 2.02 -1.26 -4.67 118.70 119.48 1wpg s GLU 392 Ca 0.40 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1wpg s GLU 392 Cb 0.19 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1wpg s GLU 392 CO 0.00 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1wpg n GLY 393 N 4.57 2.54 3.43 -1.39 0.00 -1.26 -4.48 105.19 108.59 1wpg n GLY 393 Ca -0.20 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.04 1.55 -0.24 1.61 2.02 -1.26 -4.87 118.70 115.47 1wpg s GLU 394 Ca 0.00 -1.77 -0.08 0.00 0.02 0.00 0.00 54.97 53.13 1wpg s GLU 394 Cb 0.00 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 1wpg s GLU 394 CO 0.00 0.08 0.10 0.08 0.02 0.00 0.00 175.26 175.54 1wpg s VAL 395 N -2.95 4.71 0.23 2.63 1.01 -1.26 -1.63 120.40 123.14 1wpg s VAL 395 Ca 0.29 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1wpg s VAL 395 Cb 0.03 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1wpg s VAL 395 CO 0.12 0.34 -0.08 -0.76 0.00 0.00 0.00 175.10 174.72 1wpg s LEU 396 N 1.36 2.97 -0.12 3.92 1.43 0.35 -2.61 118.68 125.99 1wpg s LEU 396 Ca 0.06 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1wpg s LEU 396 Cb -0.15 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1wpg s LEU 396 CO 0.05 0.05 0.14 -0.75 0.23 0.00 0.00 176.35 176.07 1wpg s LYS 397 N -3.30 0.05 -1.18 1.70 2.20 -0.17 -1.14 119.74 117.90 1wpg s LYS 397 Ca 0.28 0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 56.14 1wpg s LYS 397 Cb -0.07 -0.84 0.01 0.00 -1.51 0.00 0.00 37.83 35.42 1wpg s LYS 397 CO 0.17 -0.46 0.93 0.09 -0.36 0.00 0.00 175.35 175.72 1wpg n ASN 398 N 5.31 -5.68 -1.80 1.43 3.02 -1.26 -1.85 115.26 114.43 1wpg n ASN 398 Ca -0.05 -0.42 -0.20 0.00 -0.03 0.00 0.00 54.58 53.87 1wpg n ASN 398 Cb 0.50 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.27 1wpg n ASN 398 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wpg n ASP 399 N -2.25 -5.57 -4.11 6.41 2.03 -1.26 -4.98 116.55 106.83 1wpg n ASP 399 Ca -0.01 0.35 -0.24 0.00 0.52 0.00 0.00 54.79 55.41 1wpg n ASP 399 Cb 0.56 -4.79 -0.16 0.00 -0.72 0.00 0.00 41.12 36.02 1wpg n ASP 399 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wpg s LYS 400 N -4.12 1.50 0.47 -0.67 1.02 -0.77 -5.06 119.74 112.11 1wpg s LYS 400 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 1wpg s LYS 400 Cb 0.00 -1.35 -0.09 0.00 -0.52 0.00 0.00 37.83 35.88 1wpg s LYS 400 CO 0.00 0.23 1.10 -2.30 -0.92 0.00 0.00 175.35 173.46 1wpg n PRO 401 N 3.09 1.43 -4.06 -1.68 -0.02 -1.26 -1.00 135.00 131.50 1wpg n PRO 401 Ca -0.17 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1wpg n PRO 401 Cb 0.54 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.31 0.03 -0.41 4.25 -5.25 -1.07 -4.83 121.20 112.60 1wpg s ILE 402 Ca 0.66 -1.62 -0.12 0.00 -0.99 0.00 0.00 60.65 58.58 1wpg s ILE 402 Cb -0.50 -2.14 0.05 0.00 2.95 0.00 0.00 42.46 42.82 1wpg s ILE 402 CO 0.54 -0.15 0.27 -0.13 -1.79 0.00 0.00 174.94 173.68 1wpg s ARG 403 N -4.04 2.81 0.27 0.37 0.52 -1.26 -4.72 118.95 112.89 1wpg s ARG 403 Ca 0.25 -1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 1wpg s ARG 403 Cb 0.04 -3.85 0.57 0.00 0.52 0.00 0.00 34.95 32.22 1wpg s ARG 403 CO 0.06 -0.83 1.65 0.77 0.02 0.00 0.00 175.30 176.96 1wpg h SER 404 N 8.51 -0.14 -0.35 0.23 0.02 -1.90 0.15 113.55 120.07 1wpg h SER 404 Ca -0.26 0.19 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1wpg h SER 404 Cb 1.10 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1wpg h SER 404 CO 0.74 -0.15 0.47 1.23 -1.14 0.00 0.00 176.83 177.98 1wpg h GLY 405 N 0.17 0.00 2.00 -3.77 0.00 -1.80 -0.31 103.07 99.36 1wpg h GLY 405 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 1wpg h GLY 405 CO -0.64 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.22 1wpg h GLN 406 N 0.00 0.00 -4.74 4.80 4.20 -0.98 -3.40 115.11 114.98 1wpg h GLN 406 Ca 0.17 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.20 1wpg h GLN 406 Cb 1.11 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.67 1wpg h GLN 406 CO -0.00 0.13 -0.54 -0.06 -0.67 0.00 0.00 178.83 177.69 1wpg s PHE 407 N -4.06 3.19 0.23 2.96 0.08 -0.13 -4.98 117.98 115.28 1wpg s PHE 407 Ca -0.02 -0.58 -0.06 0.00 0.12 0.00 0.00 56.93 56.39 1wpg s PHE 407 Cb 0.12 -2.39 0.35 0.00 -0.57 0.00 0.00 43.02 40.54 1wpg s PHE 407 CO 0.59 -0.47 1.78 -0.44 -0.10 0.00 0.00 175.22 176.57 1wpg h ASP 408 N 8.39 0.46 -0.79 1.36 5.19 -1.84 -0.77 116.42 128.42 1wpg h ASP 408 Ca -0.31 0.06 0.11 0.00 -0.62 0.00 0.00 57.03 56.28 1wpg h ASP 408 Cb 1.14 -0.01 -0.08 0.00 0.18 0.00 0.00 39.33 40.56 1wpg h ASP 408 CO 0.63 0.26 0.41 1.23 -3.12 0.00 0.00 179.24 178.64 1wpg h GLY 409 N 0.60 1.23 2.00 2.75 0.00 -1.94 0.51 103.07 108.22 1wpg h GLY 409 Ca 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1wpg h GLY 409 CO -0.28 0.04 -0.23 1.41 0.00 0.00 0.00 176.54 177.49 1wpg h LEU 410 N 0.66 0.00 -0.62 3.11 3.38 -1.43 -0.43 115.31 119.98 1wpg h LEU 410 Ca 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 1wpg h LEU 410 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1wpg h LEU 410 CO -0.30 0.23 0.15 0.58 0.09 0.00 0.00 178.44 179.19 1wpg h VAL 411 N 0.00 1.25 -0.13 1.22 2.07 -0.49 0.53 116.25 120.70 1wpg h VAL 411 Ca -0.00 -0.93 -0.21 0.00 0.82 0.00 0.00 66.70 66.38 1wpg h VAL 411 Cb 0.44 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1wpg h VAL 411 CO 0.03 0.35 -0.77 -0.08 0.02 0.00 0.00 177.57 177.12 1wpg h GLU 412 N 0.91 0.69 0.01 1.57 4.81 -1.03 -1.78 114.58 119.77 1wpg h GLU 412 Ca 0.19 -0.57 0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1wpg h GLU 412 Cb 0.36 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1wpg h GLU 412 CO 0.00 1.18 -0.20 1.25 -0.73 0.00 0.00 179.01 180.52 1wpg h LEU 413 N 0.47 -0.57 -1.11 1.64 7.12 -0.81 0.14 115.31 122.19 1wpg h LEU 413 Ca -0.05 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 1wpg h LEU 413 Cb 1.39 0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.71 1wpg h LEU 413 CO 0.15 -0.26 0.50 0.00 -0.13 0.00 0.00 178.44 178.71 1wpg h ALA 414 N 0.57 1.33 -0.73 1.25 0.00 -0.88 -0.96 119.26 119.85 1wpg h ALA 414 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wpg h ALA 414 Cb 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1wpg h ALA 414 CO -0.18 0.58 0.24 1.15 0.00 0.00 0.00 179.25 181.05 1wpg h THR 415 N 1.14 1.26 -0.13 0.00 2.02 -0.39 0.12 112.91 116.93 1wpg h THR 415 Ca 0.30 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1wpg h THR 415 Cb -0.06 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1wpg h THR 415 CO -0.06 0.34 -0.08 0.40 0.37 0.00 0.00 175.52 176.49 1wpg h ILE 416 N 1.08 1.33 -0.13 3.11 2.04 -0.21 -1.66 117.51 123.08 1wpg h ILE 416 Ca 0.24 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1wpg h ILE 416 Cb 0.28 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1wpg h ILE 416 CO -0.01 0.34 0.01 0.00 0.00 0.00 0.00 178.15 178.49 1wpg h ALA 418 N 1.84 0.00 0.09 0.00 0.00 -0.66 -3.40 119.26 117.13 1wpg h ALA 418 Ca 0.04 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 1wpg h ALA 418 Cb 0.10 0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1wpg h ALA 418 CO -0.00 0.26 -0.68 -0.07 0.00 0.00 0.00 179.25 178.76 1wpg h LEU 419 N -0.38 0.44 -5.92 0.00 3.38 -1.11 -3.36 115.31 108.36 1wpg h LEU 419 Ca -0.08 -0.90 -0.72 0.00 0.09 0.00 0.00 57.88 56.27 1wpg h LEU 419 Cb 1.32 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 1wpg h LEU 419 CO 0.10 1.30 2.76 0.00 0.09 0.00 0.00 178.44 182.69 1wpg s ASN 421 N 1.73 -0.44 0.00 0.00 3.84 -1.26 -4.83 114.94 113.99 1wpg s ASN 421 Ca 0.49 0.73 0.04 0.00 0.21 0.00 0.00 52.86 54.33 1wpg s ASN 421 Cb 0.14 0.77 0.05 0.00 -0.55 0.00 0.00 41.25 41.66 1wpg s ASN 421 CO -0.05 -0.27 0.75 0.47 -2.79 0.00 0.00 177.10 175.20 1wpg n ASP 422 N 2.27 1.60 -4.65 -4.21 10.43 -1.26 -5.04 116.55 115.69 1wpg n ASP 422 Ca -0.16 -1.37 -0.24 0.00 2.57 0.00 0.00 54.79 55.59 1wpg n ASP 422 Cb 0.57 -0.02 0.01 0.00 1.84 0.00 0.00 41.12 43.51 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 0.16 2.56 -3.10 -2.24 7.64 -1.26 -4.89 113.62 112.50 1wpg n SER 423 Ca 0.03 -2.73 -0.08 0.00 1.01 0.00 0.00 58.87 57.10 1wpg n SER 423 Cb 0.16 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.30 1wpg n SER 423 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wpg s SER 424 N -4.04 -0.04 0.08 6.43 1.04 -0.24 -4.96 113.70 111.96 1wpg s SER 424 Ca 0.32 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 55.78 1wpg s SER 424 Cb -0.03 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1wpg s SER 424 CO 0.20 -1.60 -0.10 -0.22 0.98 0.00 0.00 173.24 172.51 1wpg s LEU 425 N -3.06 3.05 -0.07 2.42 2.96 -1.26 -1.40 118.68 121.31 1wpg s LEU 425 Ca 0.15 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 1wpg s LEU 425 Cb -0.05 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1wpg s LEU 425 CO 0.10 0.21 0.18 -0.62 -1.32 0.00 0.00 176.35 174.90 1wpg s ASP 426 N -1.97 -0.18 -0.26 3.68 2.15 -0.80 -4.69 116.67 114.60 1wpg s ASP 426 Ca 0.20 0.37 -0.17 0.00 0.43 0.00 0.00 52.55 53.38 1wpg s ASP 426 Cb -0.11 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.80 1wpg s ASP 426 CO 0.12 -0.10 0.46 0.12 -0.17 0.00 0.00 175.17 175.60 1wpg s PHE 427 N 0.60 3.26 -1.01 -5.34 5.36 -1.26 -0.30 117.98 119.28 1wpg s PHE 427 Ca -0.04 0.56 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 1wpg s PHE 427 Cb -0.06 -2.67 0.11 0.00 -0.34 0.00 0.00 43.02 40.06 1wpg s PHE 427 CO -0.03 -0.26 1.29 1.21 -1.46 0.00 0.00 175.22 175.97 1wpg s ASN 428 N 1.58 6.66 0.46 6.13 3.84 -0.35 -4.86 114.94 128.39 1wpg s ASN 428 Ca 0.19 -2.01 0.22 0.00 0.21 0.00 0.00 52.86 51.47 1wpg s ASN 428 Cb -0.16 -2.46 1.21 0.00 -0.55 0.00 0.00 41.25 39.30 1wpg s ASN 428 CO 0.09 -1.16 1.88 -0.33 -2.79 0.00 0.00 177.10 174.79 1wpg h GLU 429 N 8.84 0.26 0.07 0.43 5.08 -1.95 0.35 114.58 127.67 1wpg h GLU 429 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wpg h GLU 429 Cb 0.99 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wpg h GLU 429 CO 1.24 0.17 -0.03 1.15 -1.00 0.00 0.00 179.01 180.54 1wpg h THR 430 N 0.27 1.02 -0.00 1.13 2.02 -1.95 -3.04 112.91 112.35 1wpg h THR 430 Ca 0.44 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1wpg h THR 430 Cb 1.29 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1wpg h THR 430 CO -0.12 0.07 -0.34 0.29 0.37 0.00 0.00 175.52 175.79 1wpg n LYS 431 N -5.07 0.29 -2.22 6.66 5.02 -0.72 -4.96 118.16 117.17 1wpg n LYS 431 Ca -0.08 -0.15 -0.13 0.00 -2.02 0.00 0.00 58.31 55.93 1wpg n LYS 431 Cb 0.12 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1wpg n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wpg n GLY 432 N 1.43 -0.12 3.15 0.72 0.00 0.12 -5.02 105.19 105.48 1wpg n GLY 432 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.64 0.15 0.13 1.61 -7.23 -1.16 -5.00 120.40 106.27 1wpg s VAL 433 Ca 0.00 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 1wpg s VAL 433 Cb 0.00 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.69 1wpg s VAL 433 CO 0.00 -0.69 0.96 -0.31 -0.31 0.00 0.00 175.10 174.76 1wpg s TYR 434 N -3.34 3.83 0.24 2.82 1.51 -1.26 -1.21 117.35 119.94 1wpg s TYR 434 Ca 0.01 1.81 0.08 0.00 -1.01 0.00 0.00 57.07 57.97 1wpg s TYR 434 Cb 0.03 -3.05 -0.05 0.00 -0.11 0.00 0.00 41.96 38.78 1wpg s TYR 434 CO -0.08 0.21 -0.14 -1.21 -1.11 0.00 0.00 175.55 173.22 1wpg s GLU 435 N -0.20 1.46 0.36 -0.62 2.02 0.58 -4.68 118.70 117.62 1wpg s GLU 435 Ca 0.46 -1.68 -0.09 0.00 0.02 0.00 0.00 54.97 53.69 1wpg s GLU 435 Cb -0.24 -1.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.65 1wpg s GLU 435 CO 0.30 0.19 0.70 -1.59 0.02 0.00 0.00 175.26 174.88 1wpg s LYS 436 N -3.63 3.74 -0.29 1.61 -2.85 -1.26 -1.91 119.74 115.15 1wpg s LYS 436 Ca 0.26 0.32 -0.01 0.00 -1.00 0.00 0.00 55.97 55.54 1wpg s LYS 436 Cb -0.01 -2.48 0.09 0.00 -2.06 0.00 0.00 37.83 33.37 1wpg s LYS 436 CO 0.10 0.06 0.07 0.08 0.10 0.00 0.00 175.35 175.76 1wpg s VAL 437 N -2.26 0.92 0.00 1.79 1.01 -0.50 -4.86 120.40 116.51 1wpg s VAL 437 Ca 0.49 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wpg s VAL 437 Cb -0.10 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1wpg s VAL 437 CO 0.30 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1wpg n GLY 438 N 4.85 -0.23 3.78 4.51 0.00 -1.26 -1.08 105.19 115.76 1wpg n GLY 438 Ca -0.04 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 4.48 0.16 1.61 2.02 -1.26 -4.93 118.70 120.78 1wpg s GLU 439 Ca 0.00 1.39 -0.16 0.00 0.02 0.00 0.00 54.97 56.22 1wpg s GLU 439 Cb 0.00 -2.74 0.07 0.00 0.10 0.00 0.00 34.13 31.56 1wpg s GLU 439 CO 0.00 0.17 1.75 0.00 0.02 0.00 0.00 175.26 177.21 1wpg h ALA 440 N 3.02 0.44 0.00 5.21 0.00 -1.96 0.44 119.26 126.41 1wpg h ALA 440 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wpg h ALA 440 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wpg h ALA 440 CO 0.64 -0.25 0.00 1.79 0.00 0.00 0.00 179.25 181.44 1wpg h THR 441 N 0.30 0.00 0.06 0.00 1.35 -1.93 -2.03 112.91 110.66 1wpg h THR 441 Ca 0.17 -0.30 -0.34 0.00 -0.55 0.00 0.00 66.41 65.39 1wpg h THR 441 Cb 0.14 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 1wpg h THR 441 CO -0.17 0.00 -1.98 -0.62 -0.25 0.00 0.00 175.52 172.51 1wpg n GLU 442 N -2.54 0.70 0.20 4.72 1.02 -0.77 -4.01 120.64 119.96 1wpg n GLU 442 Ca 0.01 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.43 1wpg n GLU 442 Cb 0.23 -1.70 0.42 0.00 -0.02 0.00 0.00 31.44 30.37 1wpg n GLU 442 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1wpg h THR 443 N 0.03 1.16 -0.57 2.62 2.02 -0.68 -1.53 112.91 115.97 1wpg h THR 443 Ca -0.40 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 1wpg h THR 443 Cb 2.03 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 70.02 1wpg h THR 443 CO 0.06 0.31 0.33 0.00 0.37 0.00 0.00 175.52 176.59 1wpg h ALA 444 N 1.69 1.52 -0.23 6.16 0.00 -1.51 0.19 119.26 127.08 1wpg h ALA 444 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1wpg h ALA 444 Cb 0.58 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wpg h ALA 444 CO 0.04 0.41 -0.29 -0.07 0.00 0.00 0.00 179.25 179.35 1wpg h LEU 445 N 0.78 0.66 0.05 0.00 3.38 -1.44 -0.44 115.31 118.31 1wpg h LEU 445 Ca 0.20 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1wpg h LEU 445 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1wpg h LEU 445 CO -0.04 1.02 -0.19 0.74 0.09 0.00 0.00 178.44 180.07 1wpg h THR 446 N 0.31 0.56 -1.00 0.22 2.02 -0.79 -0.45 112.91 113.79 1wpg h THR 446 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1wpg h THR 446 Cb 0.86 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 1wpg h THR 446 CO 0.07 0.00 0.65 0.74 0.37 0.00 0.00 175.52 177.34 1wpg h THR 447 N -0.33 1.08 -0.03 3.16 2.02 -0.66 -1.85 112.91 116.30 1wpg h THR 447 Ca 0.04 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.84 1wpg h THR 447 Cb 0.38 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1wpg h THR 447 CO -0.14 0.21 -0.03 0.25 0.37 0.00 0.00 175.52 176.18 1wpg h LEU 448 N 1.16 -0.10 -1.22 2.58 5.85 -0.18 -2.22 115.31 121.17 1wpg h LEU 448 Ca 0.43 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.27 1wpg h LEU 448 Cb 0.19 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1wpg h LEU 448 CO -0.18 -0.05 0.57 0.58 -0.34 0.00 0.00 178.44 179.02 1wpg h VAL 449 N -0.04 0.97 -0.52 1.05 2.07 -0.30 -1.21 116.25 118.27 1wpg h VAL 449 Ca 0.03 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1wpg h VAL 449 Cb 0.08 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1wpg h VAL 449 CO -0.06 0.16 0.03 -0.33 0.02 0.00 0.00 177.57 177.38 1wpg h GLU 450 N 0.87 0.85 -0.21 1.57 4.39 -0.89 -1.91 114.58 119.25 1wpg h GLU 450 Ca 0.40 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.73 1wpg h GLU 450 Cb 0.40 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1wpg h GLU 450 CO -0.17 0.84 -0.44 0.87 -1.16 0.00 0.00 179.01 178.94 1wpg h LYS 451 N 0.80 0.66 -0.67 2.33 1.57 -0.73 -3.27 116.57 117.25 1wpg h LYS 451 Ca 0.16 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 1wpg h LYS 451 Cb 0.44 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1wpg h LYS 451 CO 0.02 1.06 0.17 0.52 -0.57 0.00 0.00 179.45 180.64 1wpg h MET 452 N 0.36 1.07 -6.98 3.15 2.86 -1.16 -3.45 114.93 110.77 1wpg h MET 452 Ca 0.00 -0.25 -0.54 0.00 -2.06 0.00 0.00 59.70 56.86 1wpg h MET 452 Cb 1.05 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.50 1wpg h MET 452 CO 0.10 0.94 -0.88 -1.71 1.06 0.00 0.00 176.91 176.41 1wpg n ASN 453 N -4.24 -2.43 0.20 1.22 2.85 -0.73 -4.38 115.26 107.75 1wpg n ASN 453 Ca 0.05 -1.15 0.18 0.00 -0.11 0.00 0.00 54.58 53.55 1wpg n ASN 453 Cb 0.25 -1.39 0.80 0.00 1.24 0.00 0.00 39.78 40.68 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 -1.85 0.24 -0.64 3.44 -1.51 -1.91 -0.08 116.25 113.95 1wpg h VAL 454 Ca -0.62 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1wpg h VAL 454 Cb 1.24 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1wpg h VAL 454 CO 0.50 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.33 1wpg n PHE 455 N -3.41 1.17 -4.06 5.19 3.72 -1.26 -3.63 117.46 115.17 1wpg n PHE 455 Ca 0.03 -0.57 -0.30 0.00 -0.05 0.00 0.00 57.45 56.56 1wpg n PHE 455 Cb 0.48 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 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 1.22 -2.06 -4.74 4.37 3.02 -0.04 -4.90 115.26 112.13 1wpg n ASN 456 Ca 0.24 -0.98 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 1wpg n ASN 456 Cb 0.74 -3.03 -0.03 0.00 -0.61 0.00 0.00 39.78 36.85 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 -3.61 3.39 -0.02 3.41 2.01 -1.26 -4.95 115.64 114.60 1wpg s THR 457 Ca 0.38 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 63.28 1wpg s THR 457 Cb -0.21 -3.77 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1wpg s THR 457 CO 0.90 0.21 1.63 -0.70 -0.69 0.00 0.00 174.62 175.97 1wpg s GLU 458 N -0.47 4.19 0.00 4.92 2.56 -1.26 -4.84 118.70 123.80 1wpg s GLU 458 Ca 0.53 2.20 0.00 0.00 0.00 0.00 0.00 54.97 57.70 1wpg s GLU 458 Cb -0.34 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 31.92 1wpg s GLU 458 CO 0.39 -0.80 0.46 1.33 -0.56 0.00 0.00 175.26 176.08 1wpg n VAL 459 N 5.25 0.19 0.03 3.70 0.24 -1.26 -4.81 118.33 121.67 1wpg n VAL 459 Ca 0.17 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 1wpg n VAL 459 Cb 0.42 1.17 -0.08 0.00 -1.47 0.00 0.00 33.84 33.88 1wpg n VAL 459 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1wpg h ARG 460 N 0.00 -0.05 -0.61 7.34 3.08 -2.01 -3.24 114.38 118.89 1wpg h ARG 460 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1wpg h ARG 460 Cb 0.35 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1wpg h ARG 460 CO 0.00 0.20 0.05 -0.91 -1.07 0.00 0.00 179.97 178.24 1wpg h ASN 461 N -0.30 1.01 -2.74 7.04 2.35 -2.01 -3.45 115.58 117.48 1wpg h ASN 461 Ca -0.01 -0.29 -0.55 0.00 -0.55 0.00 0.00 56.30 54.91 1wpg h ASN 461 Cb 0.28 -0.27 0.22 0.00 0.05 0.00 0.00 38.32 38.59 1wpg h ASN 461 CO 0.01 1.04 -1.05 0.18 -1.65 0.00 0.00 177.43 175.96 1wpg n LEU 462 N -4.24 -2.41 -5.01 1.61 4.77 -1.22 -5.01 117.00 105.49 1wpg n LEU 462 Ca 0.03 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 1wpg n LEU 462 Cb 0.32 -1.02 0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1wpg n LEU 462 CO 0.43 -4.50 0.46 -0.94 -1.33 0.00 0.00 177.39 171.51 1wpg s SER 463 N -1.45 4.66 0.10 -1.43 1.04 -1.26 -4.84 113.70 110.52 1wpg s SER 463 Ca 0.53 -0.56 -0.31 0.00 0.48 0.00 0.00 55.95 56.08 1wpg s SER 463 Cb -0.25 0.10 -0.13 0.00 0.10 0.00 0.00 66.02 65.84 1wpg s SER 463 CO 0.71 -1.64 1.61 0.11 0.98 0.00 0.00 173.24 175.01 1wpg h LYS 464 N -0.23 -0.71 -0.80 4.02 1.79 -1.98 0.35 116.57 119.01 1wpg h LYS 464 Ca -0.34 0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.30 1wpg h LYS 464 Cb 1.28 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 32.03 1wpg h LYS 464 CO 0.40 -0.47 0.52 -0.39 -1.08 0.00 0.00 179.45 178.43 1wpg h VAL 465 N -0.74 0.89 0.13 0.50 -1.51 -1.96 -2.08 116.25 111.49 1wpg h VAL 465 Ca -0.02 -0.22 -0.29 0.00 -1.23 0.00 0.00 66.70 64.94 1wpg h VAL 465 Cb 0.68 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 1wpg h VAL 465 CO -0.08 0.12 -1.33 -0.33 -1.23 0.00 0.00 177.57 174.72 1wpg h GLU 466 N 0.65 0.28 -0.46 5.19 5.08 -1.84 -3.31 114.58 120.17 1wpg h GLU 466 Ca 0.38 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1wpg h GLU 466 Cb 0.59 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1wpg h GLU 466 CO -0.15 1.21 0.13 -0.09 -1.00 0.00 0.00 179.01 179.11 1wpg h ARG 467 N 0.08 0.67 -1.20 2.33 9.65 0.33 -3.05 114.38 123.19 1wpg h ARG 467 Ca -0.17 -0.11 0.41 0.00 -1.10 0.00 0.00 59.98 59.01 1wpg h ARG 467 Cb 2.00 -0.11 -0.14 0.00 -1.39 0.00 0.00 29.97 30.32 1wpg h ARG 467 CO 0.20 0.59 0.74 0.00 2.80 0.00 0.00 179.97 184.30 1wpg h ALA 468 N 1.49 2.48 0.00 2.80 0.00 -1.50 -2.59 119.26 121.95 1wpg h ALA 468 Ca 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1wpg h ALA 468 Cb 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wpg h ALA 468 CO -0.01 -1.13 -0.41 0.09 0.00 0.00 0.00 179.25 177.79 1wpg n ASN 469 N -4.86 0.54 -0.03 0.00 3.02 -1.22 -4.54 115.26 108.16 1wpg n ASN 469 Ca 0.36 -2.24 -0.08 0.00 -0.03 0.00 0.00 54.58 52.58 1wpg n ASN 469 Cb 1.31 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 40.21 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 0.04 -0.07 -0.03 5.41 0.00 -1.35 -0.45 119.26 122.81 1wpg h ALA 470 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1wpg h ALA 470 Cb 1.33 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1wpg h ALA 470 CO 0.00 -0.62 -0.75 0.00 0.00 0.00 0.00 179.25 177.88 1wpg h ASN 472 N 0.15 0.91 0.54 0.00 2.35 -1.83 -2.54 115.58 115.17 1wpg h ASN 472 Ca -0.03 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.37 1wpg h ASN 472 Cb 1.32 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1wpg h ASN 472 CO 0.12 1.04 -0.27 0.28 -1.65 0.00 0.00 177.43 176.95 1wpg h SER 473 N 0.82 0.00 -0.30 5.81 0.02 -1.03 -2.29 113.55 116.56 1wpg h SER 473 Ca 0.13 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1wpg h SER 473 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1wpg h SER 473 CO 0.05 0.27 0.03 0.58 -1.14 0.00 0.00 176.83 176.62 1wpg h VAL 474 N 0.00 1.24 -0.38 2.27 2.07 -1.18 -2.56 116.25 117.70 1wpg h VAL 474 Ca -0.00 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 1wpg h VAL 474 Cb 0.61 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1wpg h VAL 474 CO 0.03 0.28 -0.11 0.40 0.02 0.00 0.00 177.57 178.19 1wpg h ILE 475 N 0.33 1.25 0.00 4.57 2.04 -1.36 -2.11 117.51 122.22 1wpg h ILE 475 Ca 0.09 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1wpg h ILE 475 Cb 0.37 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1wpg h ILE 475 CO 0.01 0.38 0.00 0.03 0.00 0.00 0.00 178.15 178.56 1wpg h ARG 476 N 0.61 0.00 0.00 2.37 3.08 -1.26 -0.49 114.38 118.69 1wpg h ARG 476 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1wpg h ARG 476 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1wpg h ARG 476 CO 0.03 0.00 -0.30 1.96 -1.07 0.00 0.00 179.97 180.60 1wpg h GLN 477 N 0.00 0.00 0.06 0.04 4.20 -0.97 -3.35 115.11 115.09 1wpg h GLN 477 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 1wpg h GLN 477 Cb 0.37 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 1wpg h GLN 477 CO 0.00 0.00 -2.23 1.28 -0.67 0.00 0.00 178.83 177.21 1wpg n LEU 478 N -2.71 2.79 -4.03 1.46 4.77 -0.42 -4.58 117.00 114.28 1wpg n LEU 478 Ca 0.03 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1wpg n LEU 478 Cb 0.50 -1.01 -0.17 0.00 -2.33 0.00 0.00 43.42 40.41 1wpg n LEU 478 CO 0.35 0.89 -0.47 -0.04 -1.33 0.00 0.00 177.39 176.78 1wpg s MET 479 N -2.54 1.77 -0.15 3.23 -1.94 -0.33 -0.69 119.30 118.65 1wpg s MET 479 Ca -0.29 -0.43 -0.10 0.00 -1.71 0.00 0.00 55.69 53.16 1wpg s MET 479 Cb 0.08 -1.46 -0.05 0.00 2.01 0.00 0.00 34.83 35.42 1wpg s MET 479 CO 0.68 0.03 0.17 0.21 -0.01 0.00 0.00 175.02 176.09 1wpg s LYS 480 N 0.68 3.90 -0.23 2.03 2.20 -0.21 -4.35 119.74 123.75 1wpg s LYS 480 Ca -0.14 -0.12 -0.22 0.00 -0.36 0.00 0.00 55.97 55.13 1wpg s LYS 480 Cb -0.16 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1wpg s LYS 480 CO 0.04 0.50 0.71 0.21 -0.36 0.00 0.00 175.35 176.44 1wpg s LYS 481 N -0.23 4.18 -0.12 4.03 2.20 -1.26 -2.09 119.74 126.45 1wpg s LYS 481 Ca 0.12 0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 1wpg s LYS 481 Cb -0.12 -3.62 -0.26 0.00 -1.51 0.00 0.00 37.83 32.32 1wpg s LYS 481 CO 0.02 -0.38 0.38 0.39 -0.36 0.00 0.00 175.35 175.39 1wpg n GLU 482 N 5.55 0.76 -3.48 4.03 1.02 -0.27 -5.00 120.64 123.24 1wpg n GLU 482 Ca 0.01 0.27 -0.11 0.00 -0.02 0.00 0.00 57.16 57.32 1wpg n GLU 482 Cb 0.49 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 1wpg n GLU 482 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1wpg s PHE 483 N -2.55 -0.46 -0.07 -0.32 -0.71 -1.23 -5.04 117.98 107.60 1wpg s PHE 483 Ca -0.22 0.24 0.02 0.00 -1.04 0.00 0.00 56.93 55.93 1wpg s PHE 483 Cb 0.07 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.42 1wpg s PHE 483 CO 0.77 -0.84 -0.11 0.99 -1.34 0.00 0.00 175.22 174.69 1wpg s THR 484 N -3.65 3.32 -0.70 -4.49 2.01 -1.26 -1.51 115.64 109.36 1wpg s THR 484 Ca 0.03 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.27 1wpg s THR 484 Cb -0.01 -2.34 0.18 0.00 0.01 0.00 0.00 72.50 70.34 1wpg s THR 484 CO -0.10 0.59 0.64 -0.76 -0.69 0.00 0.00 174.62 174.29 1wpg s LEU 485 N -0.63 6.44 0.58 4.42 1.43 0.37 -5.01 118.68 126.29 1wpg s LEU 485 Ca 0.09 -2.34 -0.19 0.00 -1.03 0.00 0.00 54.13 50.66 1wpg s LEU 485 Cb -0.11 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1wpg s LEU 485 CO 0.01 -0.67 0.98 -1.84 0.23 0.00 0.00 176.35 175.06 1wpg n GLU 486 N 4.45 0.97 -1.69 1.70 0.28 -1.26 -2.48 120.64 122.61 1wpg n GLU 486 Ca 0.03 0.37 -0.40 0.00 -0.16 0.00 0.00 57.16 57.00 1wpg n GLU 486 Cb 0.44 -2.17 0.03 0.00 1.43 0.00 0.00 31.44 31.17 1wpg n GLU 486 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wpg n PHE 487 N -1.58 1.82 -3.86 -1.84 -0.00 -1.26 -4.87 117.46 105.87 1wpg n PHE 487 Ca 0.13 0.47 -0.12 0.00 -0.00 0.00 0.00 57.45 57.93 1wpg n PHE 487 Cb 0.46 -2.31 -0.13 0.00 -0.00 0.00 0.00 39.48 37.51 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 -0.82 -0.05 0.33 -2.13 1.04 -1.25 -4.67 113.70 106.15 1wpg s SER 488 Ca 0.68 0.08 0.05 0.00 0.48 0.00 0.00 55.95 57.24 1wpg s SER 488 Cb -0.47 0.17 0.70 0.00 0.10 0.00 0.00 66.02 66.53 1wpg s SER 488 CO 0.53 -0.08 1.87 0.03 0.98 0.00 0.00 173.24 176.56 1wpg h ARG 489 N 5.74 0.80 0.00 4.02 3.08 -1.95 0.58 114.38 126.66 1wpg h ARG 489 Ca -0.26 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1wpg h ARG 489 Cb 1.20 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1wpg h ARG 489 CO 0.45 0.53 -0.11 0.38 -1.07 0.00 0.00 179.97 180.15 1wpg h ASP 490 N 0.83 0.00 0.00 7.04 3.04 -1.98 -3.26 116.42 122.09 1wpg h ASP 490 Ca 0.45 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 54.14 1wpg h ASP 490 Cb 0.57 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.84 1wpg h ASP 490 CO -0.21 0.11 -1.55 -1.14 -2.04 0.00 0.00 179.24 174.40 1wpg n ARG 491 N -3.64 1.66 -3.79 4.15 0.63 -0.83 -5.04 116.66 109.80 1wpg n ARG 491 Ca -0.02 -0.04 -0.27 0.00 -0.92 0.00 0.00 57.85 56.61 1wpg n ARG 491 Cb 0.22 -1.23 0.04 0.00 0.45 0.00 0.00 32.46 31.94 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 -2.14 -5.86 -3.83 -0.14 5.02 0.13 -4.87 118.16 106.48 1wpg n LYS 492 Ca -0.10 0.65 -0.06 0.00 -2.02 0.00 0.00 58.31 56.79 1wpg n LYS 492 Cb 0.58 -5.50 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 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 -3.60 -0.24 0.09 4.39 1.04 -1.26 -1.60 113.70 112.52 1wpg s SER 493 Ca 0.47 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 1wpg s SER 493 Cb -0.23 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1wpg s SER 493 CO 0.81 -1.23 0.28 0.00 0.98 0.00 0.00 173.24 174.08 1wpg s MET 494 N -3.75 0.91 0.13 4.02 0.23 -0.49 -3.83 119.30 116.52 1wpg s MET 494 Ca 0.11 -0.78 -0.11 0.00 -1.03 0.00 0.00 55.69 53.89 1wpg s MET 494 Cb -0.05 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1wpg s MET 494 CO 0.06 -0.31 0.29 -1.54 -2.03 0.00 0.00 175.02 171.48 1wpg s SER 495 N -2.66 0.00 -0.01 -1.18 1.04 -1.04 -1.67 113.70 108.18 1wpg s SER 495 Ca 0.02 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1wpg s SER 495 Cb 0.03 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1wpg s SER 495 CO -0.10 -0.83 -0.15 0.68 0.98 0.00 0.00 173.24 173.82 1wpg s VAL 496 N -3.89 1.21 -0.22 5.02 -7.23 -0.25 -0.47 120.40 114.57 1wpg s VAL 496 Ca 0.09 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1wpg s VAL 496 Cb 0.03 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 1wpg s VAL 496 CO -0.07 0.33 0.23 -0.47 -0.31 0.00 0.00 175.10 174.81 1wpg s TYR 497 N -0.38 3.34 0.16 2.82 6.14 -0.57 -0.83 117.35 128.04 1wpg s TYR 497 Ca 0.06 0.35 0.04 0.00 0.64 0.00 0.00 57.07 58.16 1wpg s TYR 497 Cb -0.06 -2.33 -0.05 0.00 0.42 0.00 0.00 41.96 39.94 1wpg s TYR 497 CO -0.01 0.07 -0.07 0.00 0.64 0.00 0.00 175.55 176.19 1wpg s SER 499 N -3.17 0.00 0.40 0.00 1.04 -0.89 -0.18 113.70 110.90 1wpg s SER 499 Ca 0.19 -0.30 -0.26 0.00 0.48 0.00 0.00 55.95 56.06 1wpg s SER 499 Cb 0.04 0.28 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 1wpg s SER 499 CO 0.02 -0.53 1.26 -0.81 0.98 0.00 0.00 173.24 174.15 1wpg n PRO 500 N 0.82 1.93 -0.01 4.02 -0.04 -1.26 -1.04 135.00 139.43 1wpg n PRO 500 Ca -0.20 0.69 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1wpg n PRO 500 Cb 0.58 -2.35 0.11 0.00 -0.04 0.00 0.00 33.50 31.81 1wpg n PRO 500 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpg n ALA 501 N -0.10 2.46 -3.04 0.55 0.00 0.13 -4.71 120.51 115.81 1wpg n ALA 501 Ca 0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 1wpg n ALA 501 Cb 0.39 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 1wpg n ALA 501 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wpg s LYS 502 N -1.97 0.14 0.56 0.00 -0.14 -1.26 -4.97 119.74 112.10 1wpg s LYS 502 Ca 0.29 0.18 0.38 0.00 -1.36 0.00 0.00 55.97 55.45 1wpg s LYS 502 Cb 0.20 0.05 1.96 0.00 -1.68 0.00 0.00 37.83 38.37 1wpg s LYS 502 CO 0.30 -0.02 2.15 0.66 -0.76 0.00 0.00 175.35 177.67 1wpg h SER 503 N 6.03 0.00 0.51 2.83 4.64 -1.97 -1.44 113.55 124.16 1wpg h SER 503 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1wpg h SER 503 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wpg h SER 503 CO 0.43 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.16 1wpg h SER 504 N 0.00 0.00 -0.15 4.97 4.64 -1.99 -1.67 113.55 119.35 1wpg h SER 504 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wpg h SER 504 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1wpg h SER 504 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1wpg n ARG 505 N -2.74 2.42 -0.35 4.77 5.12 -0.54 -4.73 116.66 120.61 1wpg n ARG 505 Ca -0.00 -2.40 0.31 0.00 -1.93 0.00 0.00 57.85 53.83 1wpg n ARG 505 Cb 0.18 -1.50 0.65 0.00 -1.16 0.00 0.00 32.46 30.63 1wpg n ARG 505 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wpg h ALA 506 N 0.98 2.76 -0.25 7.54 0.00 -1.33 0.16 119.26 129.12 1wpg h ALA 506 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wpg h ALA 506 Cb 1.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wpg h ALA 506 CO 0.08 -1.16 0.18 0.00 0.00 0.00 0.00 179.25 178.34 1wpg h ALA 507 N 1.50 2.11 -0.36 0.00 0.00 -1.85 -1.51 119.26 119.15 1wpg h ALA 507 Ca 0.62 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.40 1wpg h ALA 507 Cb 2.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1wpg h ALA 507 CO -0.16 -0.16 -0.25 0.28 0.00 0.00 0.00 179.25 178.95 1wpg h VAL 508 N 0.10 1.27 -0.74 0.00 2.07 -1.07 -3.48 116.25 114.41 1wpg h VAL 508 Ca 0.11 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1wpg h VAL 508 Cb 0.33 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1wpg h VAL 508 CO -0.01 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.64 1wpg n GLY 509 N -0.21 0.69 3.72 2.17 0.00 -0.57 -4.59 105.19 106.40 1wpg n GLY 509 Ca -0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.00 6.65 0.03 1.61 0.01 -1.26 -4.17 114.94 113.80 1wpg s ASN 510 Ca 0.00 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 54.71 1wpg s ASN 510 Cb 0.00 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1wpg s ASN 510 CO 0.00 -0.77 -0.04 -0.54 -1.51 0.00 0.00 177.10 174.24 1wpg s LYS 511 N 0.99 0.37 -0.14 -0.60 -0.14 0.74 -4.52 119.74 116.44 1wpg s LYS 511 Ca 0.68 -0.67 0.01 0.00 -1.36 0.00 0.00 55.97 54.63 1wpg s LYS 511 Cb -0.42 0.04 -0.00 0.00 -1.68 0.00 0.00 37.83 35.77 1wpg s LYS 511 CO 0.32 -0.04 -0.18 -1.64 -0.76 0.00 0.00 175.35 173.06 1wpg s MET 512 N -1.62 3.18 -0.21 1.68 -1.94 -1.13 0.58 119.30 119.83 1wpg s MET 512 Ca -0.14 -0.78 -0.07 0.00 -1.71 0.00 0.00 55.69 53.00 1wpg s MET 512 Cb -0.09 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1wpg s MET 512 CO -0.01 0.07 0.05 -0.06 -0.01 0.00 0.00 175.02 175.05 1wpg s PHE 513 N 0.67 3.12 0.04 -0.03 0.08 -0.01 -0.61 117.98 121.25 1wpg s PHE 513 Ca -0.09 -0.25 0.09 0.00 0.12 0.00 0.00 56.93 56.80 1wpg s PHE 513 Cb -0.16 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 1wpg s PHE 513 CO 0.02 -0.15 -0.23 0.08 -0.10 0.00 0.00 175.22 174.83 1wpg s VAL 514 N 1.03 2.37 -0.02 -0.44 1.01 0.14 -1.09 120.40 123.40 1wpg s VAL 514 Ca 0.03 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 1wpg s VAL 514 Cb -0.14 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1wpg s VAL 514 CO 0.03 0.35 0.22 -1.59 0.00 0.00 0.00 175.10 174.11 1wpg s LYS 515 N -1.32 0.49 0.00 2.72 -2.85 -0.67 -0.44 119.74 117.68 1wpg s LYS 515 Ca 0.13 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.94 1wpg s LYS 515 Cb -0.10 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 1wpg s LYS 515 CO 0.03 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.77 1wpg n GLY 516 N 1.75 -1.37 3.65 0.59 0.00 -0.92 -1.39 105.19 107.50 1wpg n GLY 516 Ca -0.20 -1.08 -0.51 0.00 0.00 0.00 0.00 46.02 44.23 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 0.07 -0.09 4.61 0.00 -0.62 -1.31 120.51 123.17 1wpg n ALA 517 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1wpg n ALA 517 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 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 6.00 -0.30 -0.21 0.00 0.11 -1.91 -2.91 132.00 132.79 1wpg h PRO 518 Ca -0.47 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1wpg h PRO 518 Cb 1.30 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.41 1wpg h PRO 518 CO 0.86 -0.20 -0.55 1.49 -0.21 0.00 0.00 178.00 179.40 1wpg h GLU 519 N -0.31 -0.51 -0.38 1.05 4.81 -1.98 0.16 114.58 117.42 1wpg h GLU 519 Ca 0.15 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1wpg h GLU 519 Cb 0.55 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1wpg h GLU 519 CO -0.49 -0.34 0.22 0.78 -0.73 0.00 0.00 179.01 178.45 1wpg h GLY 520 N -0.53 0.53 0.89 1.92 0.00 -1.91 -1.25 103.07 102.73 1wpg h GLY 520 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1wpg h GLY 520 CO -0.48 0.15 -0.13 -2.08 0.00 0.00 0.00 176.54 173.99 1wpg h VAL 521 N 0.45 0.77 -0.87 4.60 2.07 -1.28 -2.54 116.25 119.45 1wpg h VAL 521 Ca 0.15 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1wpg h VAL 521 Cb 0.01 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 1wpg h VAL 521 CO -0.07 0.05 0.51 0.40 0.02 0.00 0.00 177.57 178.48 1wpg h ILE 522 N -0.48 0.91 0.00 4.57 2.04 -0.59 0.15 117.51 124.11 1wpg h ILE 522 Ca -0.04 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1wpg h ILE 522 Cb 0.36 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1wpg h ILE 522 CO 0.06 0.15 -0.06 0.44 0.00 0.00 0.00 178.15 178.74 1wpg h ASP 523 N 0.85 0.00 -0.40 1.72 3.45 -1.09 -1.49 116.42 119.46 1wpg h ASP 523 Ca 0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.88 1wpg h ASP 523 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 1wpg h ASP 523 CO -0.25 0.06 0.00 0.54 -1.57 0.00 0.00 179.24 178.02 1wpg n ARG 524 N -4.21 2.20 -3.89 3.56 1.74 0.49 -4.86 116.66 111.69 1wpg n ARG 524 Ca -0.03 -1.54 -0.37 0.00 -0.77 0.00 0.00 57.85 55.15 1wpg n ARG 524 Cb 0.15 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.99 0.28 -4.23 0.00 3.02 0.26 -4.82 115.26 111.77 1wpg n ASN 526 Ca -0.20 -0.64 -0.13 0.00 -0.03 0.00 0.00 54.58 53.58 1wpg n ASN 526 Cb 0.55 0.85 -0.10 0.00 -0.61 0.00 0.00 39.78 40.47 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 -1.09 1.24 0.00 3.10 2.02 -0.96 -0.45 117.35 121.22 1wpg s TYR 527 Ca 0.01 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.40 1wpg s TYR 527 Cb 0.02 -0.64 -0.00 0.00 -0.40 0.00 0.00 41.96 40.93 1wpg s TYR 527 CO 0.09 -0.55 -0.01 0.14 -1.57 0.00 0.00 175.55 173.66 1wpg s VAL 528 N -4.04 0.02 0.22 0.71 -7.23 -0.35 -0.78 120.40 108.94 1wpg s VAL 528 Ca 0.38 -0.16 -0.17 0.00 -1.81 0.00 0.00 61.98 60.22 1wpg s VAL 528 Cb 0.07 -0.06 -0.08 0.00 0.56 0.00 0.00 36.38 36.88 1wpg s VAL 528 CO 0.12 -0.08 0.68 -0.60 -0.31 0.00 0.00 175.10 174.90 1wpg s ARG 529 N -0.25 4.14 -0.33 4.82 3.52 0.06 -2.25 118.95 128.66 1wpg s ARG 529 Ca -0.03 0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1wpg s ARG 529 Cb -0.02 -2.82 0.13 0.00 -1.56 0.00 0.00 34.95 30.68 1wpg s ARG 529 CO -0.00 0.38 0.19 0.08 -0.81 0.00 0.00 175.30 175.14 1wpg s VAL 530 N -1.58 0.06 0.00 7.11 1.01 -0.73 -4.36 120.40 121.91 1wpg s VAL 530 Ca 0.43 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1wpg s VAL 530 Cb -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.17 1wpg s VAL 530 CO 0.20 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 175.01 1wpg n GLY 531 N 4.44 1.91 0.23 4.51 0.00 -1.26 -1.69 105.19 113.32 1wpg n GLY 531 Ca 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.02 -2.60 2.61 -2.24 -1.26 -3.68 114.28 107.13 1wpg n THR 532 Ca 0.00 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 61.04 1wpg n THR 532 Cb 0.00 1.10 0.10 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.48 2.15 -0.16 4.28 -4.23 -0.68 -5.12 115.64 111.41 1wpg s THR 533 Ca 0.07 -0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 59.87 1wpg s THR 533 Cb 0.05 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.40 1wpg s THR 533 CO 0.07 0.00 0.39 -0.60 -0.54 0.00 0.00 174.62 173.94 1wpg s ARG 534 N -5.11 0.39 0.22 3.99 3.52 -1.26 -1.77 118.95 118.93 1wpg s ARG 534 Ca 0.66 0.72 0.05 0.00 -0.13 0.00 0.00 55.73 57.03 1wpg s ARG 534 Cb -0.05 0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 33.30 1wpg s ARG 534 CO 0.44 -0.14 -0.06 0.14 -0.81 0.00 0.00 175.30 174.87 1wpg s VAL 535 N 1.14 1.36 0.69 7.11 -7.23 -0.96 -4.98 120.40 117.54 1wpg s VAL 535 Ca -0.08 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 57.86 1wpg s VAL 535 Cb -0.07 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.66 1wpg s VAL 535 CO -0.10 -0.45 1.10 -2.16 -0.31 0.00 0.00 175.10 173.18 1wpg s PRO 536 N -3.76 2.69 -0.20 4.82 0.04 -1.26 -1.21 135.00 136.11 1wpg s PRO 536 Ca 0.25 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1wpg s PRO 536 Cb 0.03 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1wpg s PRO 536 CO 0.08 -1.32 0.98 1.41 0.04 0.00 0.00 177.00 178.19 1wpg s MET 537 N -4.37 4.28 0.41 4.56 1.75 0.40 -4.60 119.30 121.73 1wpg s MET 537 Ca 0.65 1.27 0.07 0.00 -1.25 0.00 0.00 55.69 56.43 1wpg s MET 537 Cb -0.19 -3.62 -0.06 0.00 2.84 0.00 0.00 34.83 33.80 1wpg s MET 537 CO 0.46 -0.53 0.10 0.95 -0.65 0.00 0.00 175.02 175.35 1wpg s THR 538 N 2.84 2.19 0.11 10.11 -4.23 -1.26 -4.91 115.64 120.49 1wpg s THR 538 Ca 0.43 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 58.84 1wpg s THR 538 Cb -0.16 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 1wpg s THR 538 CO 0.09 -0.01 1.65 1.23 -0.54 0.00 0.00 174.62 177.04 1wpg h GLY 539 N 1.59 -0.36 0.66 3.99 0.00 -1.96 -0.91 103.07 106.08 1wpg h GLY 539 Ca -0.43 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.22 1wpg h GLY 539 CO 0.74 -0.19 0.34 -2.55 0.00 0.00 0.00 176.54 174.88 1wpg h PRO 540 N -0.38 0.61 -0.48 4.80 0.11 -1.89 0.16 132.00 134.93 1wpg h PRO 540 Ca 0.04 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1wpg h PRO 540 Cb 0.43 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1wpg h PRO 540 CO -0.16 0.40 0.23 0.28 -0.21 0.00 0.00 178.00 178.54 1wpg h VAL 541 N 0.63 1.19 0.12 3.15 2.07 -1.82 -1.45 116.25 120.14 1wpg h VAL 541 Ca 0.29 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1wpg h VAL 541 Cb 0.20 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1wpg h VAL 541 CO -0.19 0.21 -0.06 0.50 0.02 0.00 0.00 177.57 178.06 1wpg h LYS 542 N 0.64 -0.15 -0.37 1.57 3.64 -0.69 -1.63 116.57 119.57 1wpg h LYS 542 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1wpg h LYS 542 Cb 0.12 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1wpg h LYS 542 CO -0.02 -0.05 0.20 0.93 -2.27 0.00 0.00 179.45 178.24 1wpg h GLU 543 N -0.22 0.51 -0.19 1.90 4.39 -0.90 -0.86 114.58 119.21 1wpg h GLU 543 Ca -0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1wpg h GLU 543 Cb 0.17 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1wpg h GLU 543 CO 0.03 0.38 0.03 -0.22 -1.16 0.00 0.00 179.01 178.06 1wpg h LYS 544 N 0.52 0.32 0.12 2.33 3.11 -0.98 -0.55 116.57 121.44 1wpg h LYS 544 Ca 0.13 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1wpg h LYS 544 Cb 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1wpg h LYS 544 CO -0.02 0.49 -0.07 0.82 -2.81 0.00 0.00 179.45 177.85 1wpg h ILE 545 N 0.11 0.85 -0.51 2.00 1.08 -0.60 -2.74 117.51 117.70 1wpg h ILE 545 Ca 0.06 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.47 1wpg h ILE 545 Cb 0.33 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1wpg h ILE 545 CO 0.00 0.00 0.07 -0.07 -0.69 0.00 0.00 178.15 177.46 1wpg h LEU 546 N -0.18 0.78 -0.88 1.44 3.38 -1.19 -2.23 115.31 116.42 1wpg h LEU 546 Ca -0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1wpg h LEU 546 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1wpg h LEU 546 CO 0.01 0.80 0.19 0.77 0.09 0.00 0.00 178.44 180.31 1wpg h SER 547 N 0.78 0.95 -0.02 -0.43 4.64 -0.97 0.16 113.55 118.67 1wpg h SER 547 Ca 0.16 -0.17 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 1wpg h SER 547 Cb 0.38 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1wpg h SER 547 CO 0.01 0.90 -0.77 0.58 -0.87 0.00 0.00 176.83 176.67 1wpg h VAL 548 N 0.98 1.31 -0.74 0.95 2.07 -1.30 -2.65 116.25 116.86 1wpg h VAL 548 Ca 0.21 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.68 1wpg h VAL 548 Cb 0.30 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1wpg h VAL 548 CO -0.01 0.63 0.38 0.40 0.02 0.00 0.00 177.57 179.00 1wpg h ILE 549 N 0.46 1.23 -0.64 4.57 2.04 -0.98 -1.44 117.51 122.75 1wpg h ILE 549 Ca -0.05 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1wpg h ILE 549 Cb 1.39 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1wpg h ILE 549 CO 0.15 0.26 0.20 0.50 0.00 0.00 0.00 178.15 179.27 1wpg h LYS 550 N 1.05 0.99 -0.37 2.37 3.64 -0.57 -2.23 116.57 121.45 1wpg h LYS 550 Ca 0.26 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1wpg h LYS 550 Cb 0.07 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1wpg h LYS 550 CO -0.04 0.87 0.03 0.93 -2.27 0.00 0.00 179.45 178.98 1wpg h GLU 551 N 0.92 0.64 -0.21 1.90 5.08 -1.07 -2.96 114.58 118.88 1wpg h GLU 551 Ca 0.21 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1wpg h GLU 551 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1wpg h GLU 551 CO -0.01 0.72 0.05 -1.49 -1.00 0.00 0.00 179.01 177.28 1wpg h TRP 552 N 0.47 0.29 -0.24 4.33 4.06 -1.14 -2.91 115.95 120.81 1wpg h TRP 552 Ca 0.11 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1wpg h TRP 552 Cb 0.41 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 1wpg h TRP 552 CO 0.03 0.26 0.00 0.41 -3.56 0.00 0.00 178.44 175.58 1wpg n GLY 553 N -1.27 0.29 0.59 1.49 0.00 -0.85 0.21 105.19 105.66 1wpg n GLY 553 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 0.29 0.00 0.00 2.61 -2.24 -1.11 -4.51 114.28 109.33 1wpg n THR 554 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1wpg n THR 554 Cb 0.27 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.85 0.23 3.38 0.00 -1.17 -4.80 105.19 104.69 1wpg n GLY 555 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1wpg n GLY 555 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wpg h ARG 556 N 0.00 0.00 0.05 1.61 2.47 -1.94 -3.30 114.38 113.27 1wpg h ARG 556 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wpg h ARG 556 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1wpg h ARG 556 CO 0.00 0.17 -0.02 -0.44 0.56 0.00 0.00 179.97 180.24 1wpg h ASP 557 N 0.00 -0.06 -6.24 7.04 3.32 -1.83 -3.48 116.42 115.17 1wpg h ASP 557 Ca -0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1wpg h ASP 557 Cb 0.69 0.01 0.04 0.00 0.22 0.00 0.00 39.33 40.29 1wpg h ASP 557 CO 0.02 0.08 -0.89 0.41 -1.72 0.00 0.00 179.24 177.15 1wpg n THR 558 N -2.86 -4.65 -3.25 0.35 -1.04 -0.10 -4.92 114.28 97.82 1wpg n THR 558 Ca -0.01 -0.68 -0.25 0.00 -2.04 0.00 0.00 64.05 61.07 1wpg n THR 558 Cb 0.03 -3.70 -0.01 0.00 -1.82 0.00 0.00 70.33 64.82 1wpg n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1wpg s LEU 559 N -6.65 3.95 -0.36 -4.42 1.43 0.13 -4.86 118.68 107.90 1wpg s LEU 559 Ca 0.17 0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 53.59 1wpg s LEU 559 Cb -0.06 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1wpg s LEU 559 CO 0.85 -0.34 0.77 -0.60 0.23 0.00 0.00 176.35 177.27 1wpg s ARG 560 N -4.34 3.75 -0.08 1.70 3.52 0.27 -4.26 118.95 119.51 1wpg s ARG 560 Ca 0.41 0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 56.28 1wpg s ARG 560 Cb -0.10 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1wpg s ARG 560 CO 0.37 -0.84 0.09 0.00 -0.81 0.00 0.00 175.30 174.11 1wpg s LEU 562 N -1.21 1.74 0.03 0.00 1.02 -0.60 -4.46 118.68 115.20 1wpg s LEU 562 Ca 0.17 -0.28 -0.13 0.00 0.02 0.00 0.00 54.13 53.91 1wpg s LEU 562 Cb -0.12 -0.78 -0.06 0.00 0.02 0.00 0.00 46.19 45.25 1wpg s LEU 562 CO 0.07 0.07 0.42 0.00 0.02 0.00 0.00 176.35 176.93 1wpg s ALA 563 N 0.39 3.70 -0.07 4.21 0.00 -0.43 -1.81 121.76 127.74 1wpg s ALA 563 Ca -0.09 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1wpg s ALA 563 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1wpg s ALA 563 CO 0.02 0.50 -0.20 -0.51 0.00 0.00 0.00 175.76 175.58 1wpg s LEU 564 N -1.38 2.38 0.24 0.00 1.43 0.16 -2.17 118.68 119.34 1wpg s LEU 564 Ca 0.27 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1wpg s LEU 564 Cb -0.16 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 1wpg s LEU 564 CO 0.15 0.25 0.43 0.00 0.23 0.00 0.00 176.35 177.41 1wpg s ALA 565 N -0.17 -0.10 -0.07 4.21 0.00 0.42 -0.86 121.76 125.19 1wpg s ALA 565 Ca -0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1wpg s ALA 565 Cb -0.14 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1wpg s ALA 565 CO 0.04 -0.81 0.17 0.95 0.00 0.00 0.00 175.76 176.10 1wpg s THR 566 N -4.03 -0.02 -0.34 0.00 -4.23 -0.82 0.26 115.64 106.46 1wpg s THR 566 Ca 0.23 0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.58 1wpg s THR 566 Cb 0.00 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.60 1wpg s THR 566 CO 0.08 0.03 0.84 -0.60 -0.54 0.00 0.00 174.62 174.44 1wpg s ARG 567 N 0.61 3.88 0.30 3.99 3.52 0.23 -1.82 118.95 129.66 1wpg s ARG 567 Ca -0.04 0.54 0.07 0.00 -0.13 0.00 0.00 55.73 56.17 1wpg s ARG 567 Cb -0.06 -3.77 0.46 0.00 -1.56 0.00 0.00 34.95 30.02 1wpg s ARG 567 CO -0.03 -0.81 1.70 -0.44 -0.81 0.00 0.00 175.30 174.91 1wpg h ASP 568 N 8.31 0.23 -2.71 -2.12 3.45 -1.87 -3.00 116.42 118.70 1wpg h ASP 568 Ca -0.24 -0.10 -0.61 0.00 0.43 0.00 0.00 57.03 56.52 1wpg h ASP 568 Cb 1.09 -0.06 -0.41 0.00 -0.56 0.00 0.00 39.33 39.39 1wpg h ASP 568 CO 0.93 0.63 -0.73 0.41 -1.57 0.00 0.00 179.24 178.91 1wpg n THR 569 N -4.02 0.70 -1.37 0.35 -1.04 -1.26 -4.80 114.28 102.84 1wpg n THR 569 Ca -0.02 -4.41 -0.30 0.00 -2.04 0.00 0.00 64.05 57.28 1wpg n THR 569 Cb 0.48 -2.00 0.11 0.00 -1.82 0.00 0.00 70.33 67.10 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 -1.09 1.77 1.11 -2.82 0.04 -1.26 -5.03 135.00 127.73 1wpg s PRO 570 Ca 0.29 0.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 1wpg s PRO 570 Cb 0.01 -1.87 0.25 0.00 0.04 0.00 0.00 34.50 32.93 1wpg s PRO 570 CO -0.16 -1.88 1.06 -2.14 0.04 0.00 0.00 177.00 173.92 1wpg s PRO 571 N -5.02 -0.44 0.42 0.56 0.02 -1.26 -4.97 135.00 124.30 1wpg s PRO 571 Ca 0.62 0.61 -0.25 0.00 0.02 0.00 0.00 61.00 62.01 1wpg s PRO 571 Cb -0.16 -1.63 -0.08 0.00 0.02 0.00 0.00 34.50 32.65 1wpg s PRO 571 CO 0.56 -3.34 1.17 0.15 -0.33 0.00 0.00 177.00 175.20 1wpg s LYS 572 N -4.73 3.98 0.37 5.54 3.01 -1.26 -4.90 119.74 121.75 1wpg s LYS 572 Ca 0.67 1.81 0.14 0.00 -1.01 0.00 0.00 55.97 57.58 1wpg s LYS 572 Cb -0.22 -2.60 0.97 0.00 -1.01 0.00 0.00 37.83 34.97 1wpg s LYS 572 CO 0.61 -0.38 1.79 0.00 0.51 0.00 0.00 175.35 177.88 1wpg h ARG 573 N 2.47 0.51 0.00 1.68 3.08 -1.97 0.79 114.38 120.94 1wpg h ARG 573 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1wpg h ARG 573 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1wpg h ARG 573 CO 0.62 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 180.25 1wpg n GLU 574 N -4.66 0.12 -0.30 0.04 4.71 -1.26 -2.91 120.64 116.37 1wpg n GLU 574 Ca 0.23 0.26 0.10 0.00 -0.01 0.00 0.00 57.16 57.74 1wpg n GLU 574 Cb 0.73 -1.69 0.27 0.00 -1.01 0.00 0.00 31.44 29.74 1wpg n GLU 574 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wpg n GLU 575 N -1.90 2.39 -3.98 3.49 1.02 0.27 -4.87 120.64 117.05 1wpg n GLU 575 Ca 0.04 -2.16 -0.34 0.00 -0.02 0.00 0.00 57.16 54.67 1wpg n GLU 575 Cb 0.27 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.08 1wpg n GLU 575 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wpg s MET 576 N -1.20 3.09 -0.91 3.49 -1.94 -1.15 -4.93 119.30 115.75 1wpg s MET 576 Ca 0.40 -0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 53.34 1wpg s MET 576 Cb 0.21 -2.88 0.05 0.00 2.01 0.00 0.00 34.83 34.22 1wpg s MET 576 CO 0.27 -0.27 1.35 0.08 -0.01 0.00 0.00 175.02 176.44 1wpg s VAL 577 N 1.38 3.95 -0.83 -6.03 1.01 -1.26 -4.85 120.40 113.77 1wpg s VAL 577 Ca 0.04 -0.47 0.17 0.00 0.00 0.00 0.00 61.98 61.72 1wpg s VAL 577 Cb -0.15 -4.97 0.16 0.00 0.00 0.00 0.00 36.38 31.42 1wpg s VAL 577 CO -0.06 -1.85 1.54 0.18 0.00 0.00 0.00 175.10 174.90 1wpg n LEU 578 N 8.76 0.22 -1.29 3.92 4.77 -1.26 -2.90 117.00 129.22 1wpg n LEU 578 Ca 0.22 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.85 1wpg n LEU 578 Cb 0.50 -0.53 0.30 0.00 -2.33 0.00 0.00 43.42 41.37 1wpg n LEU 578 CO 0.66 -0.36 0.76 -0.90 -1.33 0.00 0.00 177.39 176.23 1wpg n ASP 579 N -1.74 4.06 -3.68 -1.43 5.68 -1.26 -4.69 116.55 113.48 1wpg n ASP 579 Ca 0.03 -2.20 -0.29 0.00 -0.50 0.00 0.00 54.79 51.84 1wpg n ASP 579 Cb 0.19 -0.48 -0.12 0.00 -1.14 0.00 0.00 41.12 39.57 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 -1.01 3.43 0.57 -1.12 2.15 -1.14 -4.98 116.67 114.56 1wpg s ASP 580 Ca 0.45 -2.97 0.30 0.00 0.43 0.00 0.00 52.55 50.76 1wpg s ASP 580 Cb 0.26 -1.03 1.45 0.00 -0.30 0.00 0.00 42.92 43.31 1wpg s ASP 580 CO 0.26 -0.21 1.85 0.77 -0.17 0.00 0.00 175.17 177.68 1wpg h SER 581 N 6.22 0.00 0.27 -0.34 4.64 -1.83 0.98 113.55 123.49 1wpg h SER 581 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1wpg h SER 581 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1wpg h SER 581 CO 0.51 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.93 1wpg n SER 582 N -3.94 0.25 0.08 4.97 3.41 -1.26 -1.45 113.62 115.67 1wpg n SER 582 Ca 0.15 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 1wpg n SER 582 Cb 0.88 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.81 0.62 -0.20 4.33 5.12 0.34 -4.48 116.66 120.57 1wpg n ARG 583 Ca 0.01 0.08 0.16 0.00 -1.93 0.00 0.00 57.85 56.17 1wpg n ARG 583 Cb 0.10 -1.78 0.49 0.00 -1.16 0.00 0.00 32.46 30.10 1wpg n ARG 583 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1wpg h PHE 584 N 0.00 0.56 -0.52 -1.55 0.05 -1.38 -2.70 116.94 111.40 1wpg h PHE 584 Ca -0.02 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.81 1wpg h PHE 584 Cb 1.07 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.82 1wpg h PHE 584 CO 0.00 0.19 0.31 1.98 -0.18 0.00 0.00 178.31 180.62 1wpg h MET 585 N 0.46 0.61 -0.72 1.51 4.05 -1.78 -1.96 114.93 117.09 1wpg h MET 585 Ca 0.41 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.81 1wpg h MET 585 Cb 0.92 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 31.55 1wpg h MET 585 CO -0.15 0.40 0.48 1.49 0.23 0.00 0.00 176.91 179.36 1wpg h GLU 586 N 0.63 0.94 0.00 0.39 4.81 -1.80 -1.13 114.58 118.42 1wpg h GLU 586 Ca 0.21 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1wpg h GLU 586 Cb 0.01 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1wpg h GLU 586 CO -0.09 0.62 -0.30 1.88 -0.73 0.00 0.00 179.01 180.39 1wpg h TYR 587 N 0.97 0.00 -1.68 0.92 0.05 -1.44 -3.15 116.97 112.64 1wpg h TYR 587 Ca 0.27 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.36 1wpg h TYR 587 Cb -0.10 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.41 1wpg h TYR 587 CO -0.00 0.30 0.93 0.39 -1.05 0.00 0.00 178.16 178.72 1wpg n GLU 588 N -3.43 3.02 -4.65 4.88 1.02 -0.43 -4.88 120.64 116.17 1wpg n GLU 588 Ca 0.00 -3.25 -0.29 0.00 -0.02 0.00 0.00 57.16 53.60 1wpg n GLU 588 Cb 0.48 -2.27 -0.10 0.00 -0.02 0.00 0.00 31.44 29.54 1wpg n GLU 588 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wpg s THR 589 N -3.86 1.58 -1.47 2.62 -4.23 -1.19 -4.75 115.64 104.33 1wpg s THR 589 Ca 0.53 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 1wpg s THR 589 Cb 0.38 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.61 1wpg s THR 589 CO -0.31 0.00 0.91 -0.67 -0.54 0.00 0.00 174.62 174.01 1wpg n ASP 590 N -1.06 -3.80 -4.90 3.99 2.03 -1.00 -4.92 116.55 106.89 1wpg n ASP 590 Ca -0.10 -0.79 -0.29 0.00 0.52 0.00 0.00 54.79 54.14 1wpg n ASP 590 Cb 0.67 -3.94 0.03 0.00 -0.72 0.00 0.00 41.12 37.16 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 -7.12 3.14 -0.25 -2.67 1.43 -0.41 -4.62 118.68 108.18 1wpg s LEU 591 Ca 0.48 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1wpg s LEU 591 Cb -0.24 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1wpg s LEU 591 CO 0.82 -1.10 -0.05 -0.89 0.23 0.00 0.00 176.35 175.37 1wpg s THR 592 N -3.13 2.98 0.13 5.49 2.01 -0.75 -0.57 115.64 121.79 1wpg s THR 592 Ca 0.55 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 1wpg s THR 592 Cb -0.11 -2.51 -0.09 0.00 0.01 0.00 0.00 72.50 69.80 1wpg s THR 592 CO 0.49 0.19 1.49 0.12 -0.69 0.00 0.00 174.62 176.22 1wpg s PHE 593 N 1.34 3.08 -0.16 4.92 2.19 0.04 -1.94 117.98 127.45 1wpg s PHE 593 Ca 0.00 0.75 -0.10 0.00 0.33 0.00 0.00 56.93 57.91 1wpg s PHE 593 Cb -0.17 -3.82 -0.07 0.00 -1.31 0.00 0.00 43.02 37.66 1wpg s PHE 593 CO -0.04 -2.98 -0.24 0.28 1.83 0.00 0.00 175.22 174.07 1wpg n VAL 594 N 4.05 1.13 -3.70 3.12 0.31 -0.04 -0.76 118.33 122.45 1wpg n VAL 594 Ca 0.13 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wpg n VAL 594 Cb 0.40 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 1.91 0.87 2.92 2.92 0.00 -0.98 -4.22 105.19 108.61 1wpg n GLY 595 Ca -0.29 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.30 0.23 0.04 1.61 1.01 -0.64 0.41 120.40 120.76 1wpg s VAL 596 Ca 0.01 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1wpg s VAL 596 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1wpg s VAL 596 CO 0.00 0.04 -0.26 0.68 0.00 0.00 0.00 175.10 175.56 1wpg s VAL 597 N -0.12 2.12 -0.11 2.92 -7.23 -0.75 -1.26 120.40 115.97 1wpg s VAL 597 Ca 0.01 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1wpg s VAL 597 Cb -0.01 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1wpg s VAL 597 CO -0.00 0.37 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.16 1wpg s GLY 598 N -1.20 1.12 0.14 2.32 0.00 0.20 -1.56 107.32 108.34 1wpg s GLY 598 Ca 0.11 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.08 1wpg s GLY 598 CO 0.02 0.06 -0.10 -3.16 0.00 0.00 0.00 173.10 169.93 1wpg s MET 599 N 0.79 1.04 0.22 2.90 0.23 -0.47 -0.58 119.30 123.43 1wpg s MET 599 Ca -0.10 -1.45 -0.22 0.00 -1.03 0.00 0.00 55.69 52.89 1wpg s MET 599 Cb -0.16 -0.58 0.04 0.00 -1.53 0.00 0.00 34.83 32.60 1wpg s MET 599 CO 0.01 0.06 0.67 -0.48 -2.03 0.00 0.00 175.02 173.25 1wpg s LEU 600 N -3.16 -0.40 -0.60 0.18 2.34 -0.65 -0.57 118.68 115.81 1wpg s LEU 600 Ca 0.16 -0.32 -0.20 0.00 0.06 0.00 0.00 54.13 53.83 1wpg s LEU 600 Cb 0.03 2.67 0.09 0.00 -0.56 0.00 0.00 46.19 48.41 1wpg s LEU 600 CO 0.00 -1.17 0.79 -0.62 -1.06 0.00 0.00 176.35 174.29 1wpg s ASP 601 N -2.84 6.19 0.38 1.48 2.15 -1.26 -1.63 116.67 121.14 1wpg s ASP 601 Ca 0.06 -1.20 -0.26 0.00 0.43 0.00 0.00 52.55 51.58 1wpg s ASP 601 Cb -0.04 -2.34 -0.09 0.00 -0.30 0.00 0.00 42.92 40.15 1wpg s ASP 601 CO -0.02 -1.20 1.20 -2.16 -0.17 0.00 0.00 175.17 172.82 1wpg s PRO 602 N 3.16 4.14 0.62 4.34 0.04 -1.26 -4.83 135.00 141.21 1wpg s PRO 602 Ca 0.16 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 1wpg s PRO 602 Cb -0.21 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1wpg s PRO 602 CO 0.09 -0.27 1.14 -1.25 0.04 0.00 0.00 177.00 176.75 1wpg s PRO 603 N -2.14 2.93 0.53 0.56 0.04 -1.26 -1.74 135.00 133.93 1wpg s PRO 603 Ca 0.55 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 1wpg s PRO 603 Cb -0.33 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1wpg s PRO 603 CO 0.42 -1.18 1.09 1.03 0.04 0.00 0.00 177.00 178.41 1wpg s ARG 604 N -3.68 3.49 0.16 4.56 0.52 -0.11 -4.75 118.95 119.13 1wpg s ARG 604 Ca 0.71 1.49 -0.19 0.00 -0.52 0.00 0.00 55.73 57.23 1wpg s ARG 604 Cb -0.24 -2.04 0.07 0.00 0.52 0.00 0.00 34.95 33.26 1wpg s ARG 604 CO 0.36 -0.71 1.65 1.57 0.02 0.00 0.00 175.30 178.19 1wpg h LYS 605 N 1.24 -0.09 -0.03 3.54 2.10 -1.94 -2.79 116.57 118.61 1wpg h LYS 605 Ca -0.50 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1wpg h LYS 605 Cb 1.24 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1wpg h LYS 605 CO 0.58 -0.06 0.00 -0.85 -2.00 0.00 0.00 179.45 177.12 1wpg n GLU 606 N -5.33 1.08 -0.04 0.07 0.00 -1.26 -4.21 120.64 110.96 1wpg n GLU 606 Ca 0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 57.16 56.91 1wpg n GLU 606 Cb 0.24 -1.20 -0.09 0.00 0.00 0.00 0.00 31.44 30.39 1wpg n GLU 606 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1wpg h VAL 607 N 0.24 1.41 -0.21 3.84 2.07 -1.85 -2.25 116.25 119.51 1wpg h VAL 607 Ca 0.00 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.15 1wpg h VAL 607 Cb 0.05 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1wpg h VAL 607 CO 0.00 0.39 -0.12 -0.03 0.02 0.00 0.00 177.57 177.83 1wpg h MET 608 N -0.29 -0.11 -0.57 1.57 -1.53 -1.78 0.98 114.93 113.21 1wpg h MET 608 Ca 0.00 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1wpg h MET 608 Cb 0.70 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.75 1wpg h MET 608 CO 0.03 -0.07 0.27 0.78 0.14 0.00 0.00 176.91 178.06 1wpg h GLY 609 N -0.11 0.87 0.83 1.39 0.00 -1.83 -2.56 103.07 101.66 1wpg h GLY 609 Ca 0.12 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.05 1wpg h GLY 609 CO -0.28 0.41 0.46 1.76 0.00 0.00 0.00 176.54 178.89 1wpg h SER 610 N 0.77 0.74 -0.29 0.19 0.02 -0.75 -0.59 113.55 113.63 1wpg h SER 610 Ca 0.19 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1wpg h SER 610 Cb 0.12 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1wpg h SER 610 CO -0.02 0.50 0.13 0.40 -1.14 0.00 0.00 176.83 176.69 1wpg h ILE 611 N 0.88 0.96 -0.51 3.27 1.08 -0.55 -0.90 117.51 121.74 1wpg h ILE 611 Ca 0.30 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.69 1wpg h ILE 611 Cb 0.06 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1wpg h ILE 611 CO -0.13 0.05 0.33 -0.61 -0.69 0.00 0.00 178.15 177.10 1wpg h GLN 612 N 0.27 0.66 -0.67 2.37 5.75 -0.98 -0.93 115.11 121.58 1wpg h GLN 612 Ca 0.12 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1wpg h GLN 612 Cb 0.06 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1wpg h GLN 612 CO -0.10 0.43 0.36 -0.07 -2.65 0.00 0.00 178.83 176.80 1wpg h LEU 613 N 0.68 0.83 -0.54 -2.39 3.38 -0.82 -1.52 115.31 114.93 1wpg h LEU 613 Ca 0.19 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1wpg h LEU 613 Cb -0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1wpg h LEU 613 CO -0.05 0.68 0.19 0.00 0.09 0.00 0.00 178.44 179.35 1wpg h ARG 615 N 0.75 1.01 -0.10 0.00 2.43 -0.42 0.92 114.38 118.96 1wpg h ARG 615 Ca 0.18 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1wpg h ARG 615 Cb 0.24 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1wpg h ARG 615 CO -0.01 0.70 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.59 1wpg h ASP 616 N 1.04 0.15 -0.30 -3.80 3.32 -0.94 -1.11 116.42 114.78 1wpg h ASP 616 Ca 0.27 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1wpg h ASP 616 Cb -0.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1wpg h ASP 616 CO -0.05 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1wpg n ALA 617 N -2.50 2.79 -1.23 3.45 0.00 -0.64 -4.50 120.51 117.89 1wpg n ALA 617 Ca -0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.62 1wpg n ALA 617 Cb 0.24 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 0.66 0.96 3.55 0.00 0.00 -0.42 -3.57 105.19 106.37 1wpg n GLY 618 Ca 0.12 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.20 5.23 0.43 -0.61 1.01 0.22 -4.70 121.20 120.59 1wpg s ILE 619 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 1wpg s ILE 619 Cb 0.00 -3.60 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 1wpg s ILE 619 CO 0.00 0.11 0.96 -0.13 0.00 0.00 0.00 174.94 175.87 1wpg s ARG 620 N 1.73 4.21 -0.12 2.79 0.52 -0.55 -3.23 118.95 124.30 1wpg s ARG 620 Ca 0.06 1.15 0.01 0.00 -0.52 0.00 0.00 55.73 56.43 1wpg s ARG 620 Cb -0.17 -2.19 0.02 0.00 0.52 0.00 0.00 34.95 33.13 1wpg s ARG 620 CO 0.10 -0.05 -0.13 0.08 0.02 0.00 0.00 175.30 175.32 1wpg s VAL 621 N -2.15 1.42 -0.12 3.52 1.01 -1.26 -0.00 120.40 122.81 1wpg s VAL 621 Ca 0.62 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1wpg s VAL 621 Cb -0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1wpg s VAL 621 CO 0.14 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.88 1wpg s ILE 622 N 1.24 2.79 -0.07 2.22 1.01 -0.41 -4.91 121.20 123.07 1wpg s ILE 622 Ca -0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1wpg s ILE 622 Cb -0.14 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1wpg s ILE 622 CO -0.05 0.53 0.48 -0.32 0.00 0.00 0.00 174.94 175.58 1wpg s MET 623 N 0.38 4.24 -0.23 2.79 -2.45 -0.10 0.11 119.30 124.04 1wpg s MET 623 Ca -0.12 0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 54.79 1wpg s MET 623 Cb -0.16 -3.37 0.07 0.00 1.25 0.00 0.00 34.83 32.62 1wpg s MET 623 CO 0.06 0.33 0.05 0.42 1.05 0.00 0.00 175.02 176.93 1wpg s ILE 624 N 0.05 0.65 0.09 10.11 1.01 0.58 -1.03 121.20 132.65 1wpg s ILE 624 Ca 0.26 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1wpg s ILE 624 Cb -0.16 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1wpg s ILE 624 CO 0.12 -0.34 -0.10 0.28 0.00 0.00 0.00 174.94 174.90 1wpg s THR 625 N 1.78 0.90 -0.89 2.92 -1.32 0.37 -3.99 115.64 115.41 1wpg s THR 625 Ca 0.02 -1.56 0.27 0.00 -1.21 0.00 0.00 61.69 59.20 1wpg s THR 625 Cb -0.17 -1.27 0.15 0.00 -1.51 0.00 0.00 72.50 69.70 1wpg s THR 625 CO -0.13 -0.53 1.65 0.61 -2.21 0.00 0.00 174.62 174.01 1wpg n GLY 626 N 0.69 -1.45 3.66 6.08 0.00 -1.24 -2.32 105.19 110.62 1wpg n GLY 626 Ca -0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1wpg n GLY 626 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wpg s ASP 627 N -3.48 2.15 0.60 1.61 -1.08 -1.26 -3.78 116.67 111.43 1wpg s ASP 627 Ca 0.11 0.98 -0.15 0.00 -0.52 0.00 0.00 52.55 52.97 1wpg s ASP 627 Cb 0.16 -1.52 -0.03 0.00 -1.46 0.00 0.00 42.92 40.08 1wpg s ASP 627 CO 0.62 -3.40 1.06 0.20 0.52 0.00 0.00 175.17 174.17 1wpg s ASN 628 N -3.64 5.74 0.13 -0.34 0.01 -1.26 -0.54 114.94 115.03 1wpg s ASN 628 Ca 0.67 1.81 -0.21 0.00 -0.71 0.00 0.00 52.86 54.42 1wpg s ASN 628 Cb -0.16 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 1wpg s ASN 628 CO 0.57 -1.20 1.69 0.50 -1.51 0.00 0.00 177.10 177.15 1wpg h LYS 629 N 0.36 -0.07 0.10 -0.60 3.64 -1.95 -1.22 116.57 116.83 1wpg h LYS 629 Ca -0.47 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1wpg h LYS 629 Cb 1.22 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 1wpg h LYS 629 CO 0.57 -0.05 -0.39 0.78 -2.27 0.00 0.00 179.45 178.10 1wpg h GLY 630 N -0.08 -0.75 1.96 5.01 0.00 -2.00 0.80 103.07 108.01 1wpg h GLY 630 Ca 0.09 0.46 -0.10 0.00 0.00 0.00 0.00 47.33 47.78 1wpg h GLY 630 CO -0.20 -0.26 -0.44 0.00 0.00 0.00 0.00 176.54 175.64 1wpg h THR 631 N -0.61 1.32 -0.23 4.70 1.03 -1.89 -1.99 112.91 115.24 1wpg h THR 631 Ca 0.03 -1.54 -0.00 0.00 -0.01 0.00 0.00 66.41 64.89 1wpg h THR 631 Cb 0.64 1.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.52 1wpg h THR 631 CO -0.24 0.44 0.14 0.00 -0.01 0.00 0.00 175.52 175.85 1wpg h ALA 632 N 1.52 0.30 -0.62 0.00 0.00 -0.66 -0.85 119.26 118.94 1wpg h ALA 632 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1wpg h ALA 632 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1wpg h ALA 632 CO 0.06 -0.19 0.15 0.82 0.00 0.00 0.00 179.25 180.09 1wpg h ILE 633 N 0.28 1.25 -0.92 0.00 2.04 -0.66 -1.69 117.51 117.81 1wpg h ILE 633 Ca 0.08 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1wpg h ILE 633 Cb 0.04 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1wpg h ILE 633 CO -0.01 0.34 0.61 0.00 0.00 0.00 0.00 178.15 179.09 1wpg h ALA 634 N 1.05 1.37 -0.10 1.87 0.00 -1.09 -0.86 119.26 121.50 1wpg h ALA 634 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1wpg h ALA 634 Cb 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wpg h ALA 634 CO 0.00 0.57 -0.54 0.82 0.00 0.00 0.00 179.25 180.10 1wpg h ILE 635 N 1.21 1.36 -0.83 0.00 1.08 -0.91 -1.38 117.51 118.04 1wpg h ILE 635 Ca 0.35 -1.83 -0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1wpg h ILE 635 Cb -0.09 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1wpg h ILE 635 CO -0.08 0.55 0.38 0.00 -0.69 0.00 0.00 178.15 178.31 1wpg h ARG 637 N 1.19 0.93 -0.73 0.00 3.08 -1.09 0.21 114.38 117.97 1wpg h ARG 637 Ca 0.28 -0.49 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1wpg h ARG 637 Cb 0.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1wpg h ARG 637 CO -0.03 1.15 0.48 0.00 -1.07 0.00 0.00 179.97 180.49 1wpg h ARG 638 N 0.74 0.93 -0.40 0.04 3.08 -0.72 -2.72 114.38 115.33 1wpg h ARG 638 Ca 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wpg h ARG 638 Cb 0.98 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1wpg h ARG 638 CO 0.09 0.61 0.00 0.44 -1.07 0.00 0.00 179.97 180.05 1wpg n ILE 639 N -4.60 0.52 -0.67 2.04 -5.35 -0.34 -4.94 119.36 106.02 1wpg n ILE 639 Ca 0.07 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1wpg n ILE 639 Cb 0.04 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 1.29 0.76 0.30 3.28 0.00 -0.73 -4.45 105.19 105.64 1wpg n GLY 640 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 1.26 -3.13 -0.61 2.04 -0.89 -3.43 117.51 112.76 1wpg h ILE 641 Ca 0.00 -1.19 -0.65 0.00 1.00 0.00 0.00 64.86 64.03 1wpg h ILE 641 Cb 0.00 0.89 -0.17 0.00 -0.74 0.00 0.00 36.82 36.80 1wpg h ILE 641 CO 0.00 0.42 -0.79 -0.36 0.00 0.00 0.00 178.15 177.42 1wpg s PHE 642 N -4.93 2.42 0.74 1.37 2.99 -1.07 -4.99 117.98 114.52 1wpg s PHE 642 Ca -0.11 -0.31 -0.11 0.00 0.00 0.00 0.00 56.93 56.40 1wpg s PHE 642 Cb 0.14 -1.19 0.04 0.00 0.00 0.00 0.00 43.02 42.00 1wpg s PHE 642 CO 0.85 0.50 1.08 0.20 -0.00 0.00 0.00 175.22 177.85 1wpg s GLY 643 N -2.72 1.65 0.40 4.36 0.00 -1.26 -4.31 107.32 105.44 1wpg s GLY 643 Ca 0.22 -0.01 0.12 0.00 0.00 0.00 0.00 44.72 45.06 1wpg s GLY 643 CO 0.12 0.35 1.92 0.83 0.00 0.00 0.00 173.10 176.32 1wpg h GLU 644 N -0.91 0.51 0.00 2.90 5.08 -1.98 -2.66 114.58 117.53 1wpg h GLU 644 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wpg h GLU 644 Cb 1.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wpg h GLU 644 CO 0.57 0.34 0.00 -1.71 -1.00 0.00 0.00 179.01 177.21 1wpg n ASN 645 N -4.50 1.93 -4.71 1.42 4.05 -1.26 -5.05 115.26 107.15 1wpg n ASN 645 Ca 0.14 -1.94 -0.43 0.00 0.45 0.00 0.00 54.58 52.80 1wpg n ASN 645 Cb 0.45 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.45 1wpg n ASN 645 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1wpg n GLU 646 N -0.47 2.26 -2.44 1.20 2.13 -1.01 -4.93 120.64 117.38 1wpg n GLU 646 Ca 0.00 0.80 -0.42 0.00 0.66 0.00 0.00 57.16 58.20 1wpg n GLU 646 Cb 0.24 -2.45 -0.03 0.00 0.27 0.00 0.00 31.44 29.46 1wpg n GLU 646 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wpg s GLU 647 N -1.17 4.40 -0.04 5.31 2.56 -1.26 -4.85 118.70 123.65 1wpg s GLU 647 Ca 0.61 1.72 0.07 0.00 0.00 0.00 0.00 54.97 57.37 1wpg s GLU 647 Cb -0.57 -3.44 0.16 0.00 2.00 0.00 0.00 34.13 32.27 1wpg s GLU 647 CO 0.56 -0.33 1.11 1.33 -0.56 0.00 0.00 175.26 177.37 1wpg n VAL 648 N 4.21 1.28 -0.33 3.70 0.24 -1.26 -4.80 118.33 121.37 1wpg n VAL 648 Ca 0.10 -1.33 -0.06 0.00 -2.04 0.00 0.00 64.34 61.01 1wpg n VAL 648 Cb 0.46 0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 33.09 1wpg n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wpg n ALA 649 N -0.51 -0.36 -1.05 2.33 0.00 -1.26 -0.71 120.51 118.94 1wpg n ALA 649 Ca 0.07 0.74 0.05 0.00 0.00 0.00 0.00 53.44 54.30 1wpg n ALA 649 Cb 0.41 -0.21 0.27 0.00 0.00 0.00 0.00 19.45 19.92 1wpg n ALA 649 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wpg n ASP 650 N -5.09 3.95 -0.33 0.00 5.68 -1.26 -4.41 116.55 115.08 1wpg n ASP 650 Ca 0.04 -3.13 0.03 0.00 -0.50 0.00 0.00 54.79 51.23 1wpg n ASP 650 Cb 0.26 -0.59 0.06 0.00 -1.14 0.00 0.00 41.12 39.71 1wpg n ASP 650 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1wpg n ARG 651 N -0.47 1.53 -3.76 0.11 1.74 0.11 -4.35 116.66 111.57 1wpg n ARG 651 Ca 0.25 -1.40 -0.13 0.00 -0.77 0.00 0.00 57.85 55.81 1wpg n ARG 651 Cb 0.99 -1.15 -0.13 0.00 -1.02 0.00 0.00 32.46 31.15 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 -0.80 -0.47 0.03 7.54 0.00 -1.03 -0.93 121.76 126.11 1wpg s ALA 652 Ca 0.11 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 1wpg s ALA 652 Cb 0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1wpg s ALA 652 CO 0.09 -0.15 -0.02 0.71 0.00 0.00 0.00 175.76 176.39 1wpg s TYR 653 N 0.80 0.35 0.49 0.00 2.02 0.25 -4.92 117.35 116.34 1wpg s TYR 653 Ca -0.06 -0.72 0.02 0.00 -0.37 0.00 0.00 57.07 55.94 1wpg s TYR 653 Cb -0.07 -0.26 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1wpg s TYR 653 CO -0.05 -0.27 0.71 0.95 -1.57 0.00 0.00 175.55 175.32 1wpg s THR 654 N -2.40 3.23 0.15 -0.71 -4.23 -1.26 -0.12 115.64 110.30 1wpg s THR 654 Ca -0.07 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.62 1wpg s THR 654 Cb -0.03 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.63 1wpg s THR 654 CO -0.04 -0.12 1.81 1.23 -0.54 0.00 0.00 174.62 176.95 1wpg h GLY 655 N 0.27 0.53 0.99 3.99 0.00 -0.24 -0.51 103.07 108.10 1wpg h GLY 655 Ca -0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1wpg h GLY 655 CO 0.53 0.18 0.31 -0.09 0.00 0.00 0.00 176.54 177.47 1wpg h ARG 656 N 0.49 0.80 -0.79 4.80 2.43 -1.85 -1.53 114.38 118.73 1wpg h ARG 656 Ca 0.14 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1wpg h ARG 656 Cb -0.04 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1wpg h ARG 656 CO -0.04 0.62 0.49 0.93 -1.51 0.00 0.00 179.97 180.46 1wpg h GLU 657 N 0.77 1.06 -0.50 0.20 5.08 -1.87 -1.96 114.58 117.36 1wpg h GLU 657 Ca 0.20 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1wpg h GLU 657 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1wpg h GLU 657 CO -0.03 0.74 0.25 0.35 -1.00 0.00 0.00 179.01 179.32 1wpg h PHE 658 N 1.08 0.72 -0.04 4.33 3.04 -0.67 -2.48 116.94 122.92 1wpg h PHE 658 Ca 0.28 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 1wpg h PHE 658 Cb -0.06 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1wpg h PHE 658 CO -0.01 0.56 -0.36 -0.44 -2.02 0.00 0.00 178.31 176.04 1wpg h ASP 659 N 0.67 0.07 0.09 0.41 3.32 -1.08 -2.32 116.42 117.58 1wpg h ASP 659 Ca 0.17 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1wpg h ASP 659 Cb 0.11 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1wpg h ASP 659 CO -0.02 0.43 -0.05 -0.78 -1.72 0.00 0.00 179.24 177.10 1wpg h ASP 660 N 0.06 0.00 -4.02 6.45 3.58 -0.89 -3.43 116.42 118.17 1wpg h ASP 660 Ca 0.01 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.98 1wpg h ASP 660 Cb 0.67 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.75 1wpg h ASP 660 CO 0.05 0.05 0.41 -0.76 -2.88 0.00 0.00 179.24 176.10 1wpg s LEU 661 N -8.14 3.98 0.57 2.28 1.43 -0.87 -5.01 118.68 112.92 1wpg s LEU 661 Ca -0.04 2.01 -0.19 0.00 -1.03 0.00 0.00 54.13 54.88 1wpg s LEU 661 Cb 0.15 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 1wpg s LEU 661 CO 0.61 -0.68 1.15 -2.16 0.23 0.00 0.00 176.35 175.50 1wpg s PRO 662 N -2.87 3.20 0.45 1.29 0.04 -1.26 -4.67 135.00 131.18 1wpg s PRO 662 Ca 0.63 1.65 0.31 0.00 0.04 0.00 0.00 61.00 63.63 1wpg s PRO 662 Cb -0.20 -1.98 1.45 0.00 0.04 0.00 0.00 34.50 33.81 1wpg s PRO 662 CO 0.25 -0.98 1.62 -0.07 0.04 0.00 0.00 177.00 177.86 1wpg h LEU 663 N 1.01 0.22 0.11 -3.56 4.07 -1.95 0.16 115.31 115.37 1wpg h LEU 663 Ca -0.50 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 1wpg h LEU 663 Cb 1.27 0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1wpg h LEU 663 CO 0.56 -0.18 -0.05 0.00 -1.08 0.00 0.00 178.44 177.69 1wpg h ALA 664 N 1.56 -0.14 -0.95 1.53 0.00 -2.01 -2.97 119.26 116.28 1wpg h ALA 664 Ca 0.83 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 1wpg h ALA 664 Cb 2.66 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.46 1wpg h ALA 664 CO -0.39 -0.37 0.59 0.93 0.00 0.00 0.00 179.25 180.01 1wpg h GLU 665 N -0.57 1.28 -0.66 0.00 4.39 -1.11 -2.41 114.58 115.50 1wpg h GLU 665 Ca -0.01 -0.10 0.12 0.00 0.34 0.00 0.00 59.36 59.70 1wpg h GLU 665 Cb 0.46 -0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 28.75 1wpg h GLU 665 CO 0.02 0.88 0.20 1.96 -1.16 0.00 0.00 179.01 180.91 1wpg h GLN 666 N 1.30 0.33 -0.69 2.33 4.20 -1.14 0.17 115.11 121.61 1wpg h GLN 666 Ca 0.34 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1wpg h GLN 666 Cb -0.09 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1wpg h GLN 666 CO -0.07 0.22 0.42 -0.09 -0.67 0.00 0.00 178.83 178.64 1wpg h ARG 667 N 0.34 0.94 0.01 1.46 2.43 -1.26 -2.89 114.38 115.40 1wpg h ARG 667 Ca 0.35 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 59.22 1wpg h ARG 667 Cb 0.51 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1wpg h ARG 667 CO -0.39 0.67 -0.94 1.49 -1.51 0.00 0.00 179.97 179.29 1wpg h GLU 668 N 0.94 0.31 -0.73 0.20 4.57 -1.17 -3.15 114.58 115.56 1wpg h GLU 668 Ca 0.25 -0.35 0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1wpg h GLU 668 Cb -0.03 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1wpg h GLU 668 CO -0.05 1.05 0.48 0.00 -1.18 0.00 0.00 179.01 179.32 1wpg h ALA 669 N 0.82 1.88 0.00 2.92 0.00 -0.54 0.16 119.26 124.51 1wpg h ALA 669 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wpg h ALA 669 Cb 1.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1wpg h ALA 669 CO 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1wpg n ARG 671 N -2.93 0.64 -0.11 0.00 1.74 0.52 -4.59 116.66 111.93 1wpg n ARG 671 Ca -0.00 0.21 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 1wpg n ARG 671 Cb 0.21 -1.74 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.94 0.61 -2.29 5.56 0.63 -0.90 -4.98 116.66 112.36 1wpg n ARG 672 Ca -0.18 0.32 -0.37 0.00 -0.92 0.00 0.00 57.85 56.70 1wpg n ARG 672 Cb 1.02 -1.58 -0.01 0.00 0.45 0.00 0.00 32.46 32.34 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 -2.48 2.95 0.00 5.13 0.00 0.14 -4.86 121.76 122.64 1wpg s ALA 673 Ca -0.34 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1wpg s ALA 673 Cb 0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1wpg s ALA 673 CO 0.57 -0.61 0.80 0.00 0.00 0.00 0.00 175.76 176.51 1wpg s PHE 676 N 2.39 2.39 0.37 0.00 0.40 -0.19 -0.58 117.98 122.75 1wpg s PHE 676 Ca 0.03 -1.32 0.06 0.00 -0.60 0.00 0.00 56.93 55.10 1wpg s PHE 676 Cb -0.13 -1.70 -0.07 0.00 0.51 0.00 0.00 43.02 41.63 1wpg s PHE 676 CO -0.09 -0.68 0.00 0.00 0.70 0.00 0.00 175.22 175.16 1wpg s ALA 677 N 1.26 2.87 -1.51 5.36 0.00 0.83 -0.48 121.76 130.10 1wpg s ALA 677 Ca 0.02 -2.19 -0.11 0.00 0.00 0.00 0.00 51.96 49.68 1wpg s ALA 677 Cb -0.14 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1wpg s ALA 677 CO -0.09 -0.14 0.84 0.54 0.00 0.00 0.00 175.76 176.91 1wpg n ARG 678 N -0.85 -4.81 -3.47 0.00 1.74 0.30 0.13 116.66 109.70 1wpg n ARG 678 Ca -0.04 0.55 -0.29 0.00 -0.77 0.00 0.00 57.85 57.29 1wpg n ARG 678 Cb 0.66 -5.27 -0.04 0.00 -1.02 0.00 0.00 32.46 26.79 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 -3.44 5.07 0.31 1.55 1.01 -1.07 -3.06 120.40 120.78 1wpg s VAL 679 Ca 0.49 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.57 1wpg s VAL 679 Cb -0.25 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1wpg s VAL 679 CO 0.85 -0.20 0.34 -1.61 0.00 0.00 0.00 175.10 174.48 1wpg s GLU 680 N -3.25 2.93 0.37 2.72 2.02 -1.26 -4.45 118.70 117.79 1wpg s GLU 680 Ca 0.43 -1.13 0.11 0.00 0.02 0.00 0.00 54.97 54.40 1wpg s GLU 680 Cb -0.11 -2.63 0.88 0.00 0.10 0.00 0.00 34.13 32.38 1wpg s GLU 680 CO 0.28 0.16 1.87 -1.35 0.02 0.00 0.00 175.26 176.24 1wpg h PRO 681 N 1.17 0.60 0.00 0.39 0.11 -1.78 -0.06 132.00 132.43 1wpg h PRO 681 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1wpg h PRO 681 Cb 1.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1wpg h PRO 681 CO 0.57 0.40 -0.20 0.77 -0.21 0.00 0.00 178.00 179.33 1wpg h SER 682 N 0.62 0.00 -0.55 -2.05 0.02 -1.95 -2.97 113.55 106.67 1wpg h SER 682 Ca 0.44 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.32 1wpg h SER 682 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1wpg h SER 682 CO -0.19 0.20 0.07 0.45 -1.14 0.00 0.00 176.83 176.22 1wpg h HIS 683 N 0.00 0.98 -0.45 3.45 3.86 -1.38 -0.93 115.15 120.68 1wpg h HIS 683 Ca -0.00 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1wpg h HIS 683 Cb 0.65 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1wpg h HIS 683 CO 0.00 0.88 0.25 0.87 0.86 0.00 0.00 177.93 180.79 1wpg h LYS 684 N 0.80 0.62 -0.24 2.45 1.57 -1.51 -0.43 116.57 119.84 1wpg h LYS 684 Ca 0.16 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1wpg h LYS 684 Cb 0.44 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1wpg h LYS 684 CO 0.01 0.48 -0.36 0.66 -0.57 0.00 0.00 179.45 179.67 1wpg h SER 685 N 0.59 0.54 -0.26 0.86 4.64 -1.56 -1.89 113.55 116.47 1wpg h SER 685 Ca 0.16 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1wpg h SER 685 Cb 0.03 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1wpg h SER 685 CO -0.03 0.86 0.12 0.50 -0.87 0.00 0.00 176.83 177.41 1wpg h LYS 686 N 0.44 0.37 -0.11 4.77 3.64 -0.70 0.32 116.57 125.30 1wpg h LYS 686 Ca 0.05 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1wpg h LYS 686 Cb 0.83 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1wpg h LYS 686 CO 0.07 0.37 -0.34 -0.84 -2.27 0.00 0.00 179.45 176.44 1wpg h ILE 687 N 0.28 1.28 -0.48 2.00 3.07 -0.96 -1.23 117.51 121.47 1wpg h ILE 687 Ca 0.09 -1.33 -0.07 0.00 1.55 0.00 0.00 64.86 65.10 1wpg h ILE 687 Cb 0.12 1.57 -0.02 0.00 -0.27 0.00 0.00 36.82 38.23 1wpg h ILE 687 CO -0.01 0.40 0.05 0.58 -1.05 0.00 0.00 178.15 178.11 1wpg h VAL 688 N 0.19 1.26 -0.61 0.16 2.07 -0.97 -1.85 116.25 116.50 1wpg h VAL 688 Ca 0.02 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1wpg h VAL 688 Cb 0.70 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1wpg h VAL 688 CO 0.05 0.35 0.37 -0.08 0.02 0.00 0.00 177.57 178.28 1wpg h GLU 689 N 0.69 0.71 -0.16 1.57 4.81 -0.49 -1.38 114.58 120.32 1wpg h GLU 689 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1wpg h GLU 689 Cb 0.44 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1wpg h GLU 689 CO 0.02 0.47 0.10 1.88 -0.73 0.00 0.00 179.01 180.75 1wpg h TYR 690 N 0.73 0.20 -0.32 0.92 0.99 -0.92 0.64 116.97 119.21 1wpg h TYR 690 Ca 0.24 0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.04 1wpg h TYR 690 Cb 0.02 -0.07 -0.06 0.00 1.00 0.00 0.00 36.73 37.63 1wpg h TYR 690 CO -0.05 0.13 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.11 1wpg h LEU 691 N 0.21 -0.26 -2.11 3.88 -0.00 -0.96 0.10 115.31 116.17 1wpg h LEU 691 Ca 0.06 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1wpg h LEU 691 Cb -0.02 0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1wpg h LEU 691 CO -0.01 -0.09 0.01 1.56 -0.00 0.00 0.00 178.44 179.91 1wpg h GLN 692 N 0.02 0.00 0.00 1.13 4.20 -0.80 0.00 115.11 119.66 1wpg h GLN 692 Ca 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1wpg h GLN 692 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1wpg h GLN 692 CO -0.32 0.00 -0.01 0.66 -0.67 0.00 0.00 178.83 178.50 1wpg h SER 693 N 0.00 0.00 -0.51 1.46 4.64 0.16 0.65 113.55 119.95 1wpg h SER 693 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1wpg h SER 693 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1wpg h SER 693 CO -0.00 0.01 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1wpg n TYR 694 N -3.16 1.40 -3.46 4.77 4.02 -0.02 -4.91 117.16 115.79 1wpg n TYR 694 Ca -0.02 -0.53 -0.24 0.00 -0.01 0.00 0.00 57.90 57.10 1wpg n TYR 694 Cb 0.11 -0.29 0.06 0.00 -0.02 0.00 0.00 39.34 39.20 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 0.75 -6.21 -4.88 7.72 8.00 0.23 -4.99 116.55 117.16 1wpg n ASP 695 Ca 0.22 -0.49 -0.35 0.00 0.71 0.00 0.00 54.79 54.88 1wpg n ASP 695 Cb 0.85 -4.93 -0.06 0.00 -0.02 0.00 0.00 41.12 36.97 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 -6.17 3.41 -0.58 -1.24 2.02 -1.21 -4.86 118.70 110.06 1wpg s GLU 696 Ca 0.52 -0.22 -0.25 0.00 0.02 0.00 0.00 54.97 55.03 1wpg s GLU 696 Cb -0.23 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 30.91 1wpg s GLU 696 CO 0.64 0.73 1.03 0.42 0.02 0.00 0.00 175.26 178.10 1wpg s ILE 697 N -1.15 4.24 -0.04 -1.63 -1.09 -1.26 -4.32 121.20 115.95 1wpg s ILE 697 Ca 0.20 0.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.00 1wpg s ILE 697 Cb -0.12 -4.63 -0.03 0.00 -1.58 0.00 0.00 42.46 36.10 1wpg s ILE 697 CO 0.10 -1.26 -0.04 0.42 -1.23 0.00 0.00 174.94 172.93 1wpg s THR 698 N 4.34 3.92 0.28 2.92 -4.23 -1.26 -1.65 115.64 119.96 1wpg s THR 698 Ca 0.33 -0.51 0.10 0.00 -1.18 0.00 0.00 61.69 60.43 1wpg s THR 698 Cb -0.11 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1wpg s THR 698 CO 0.19 0.51 -0.04 0.00 -0.54 0.00 0.00 174.62 174.75 1wpg s ALA 699 N -0.92 3.10 -0.02 3.99 0.00 -0.30 -1.72 121.76 125.88 1wpg s ALA 699 Ca 0.15 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1wpg s ALA 699 Cb -0.11 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1wpg s ALA 699 CO 0.05 0.24 -0.01 1.41 0.00 0.00 0.00 175.76 177.45 1wpg s MET 700 N -3.65 0.27 -0.08 0.00 0.00 -0.37 0.02 119.30 115.49 1wpg s MET 700 Ca 0.32 0.03 0.02 0.00 0.00 0.00 0.00 55.69 56.06 1wpg s MET 700 Cb -0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 34.83 34.35 1wpg s MET 700 CO 0.19 -0.08 -0.15 0.99 0.00 0.00 0.00 175.02 175.97 1wpg s THR 701 N 0.73 2.97 0.25 10.11 2.01 -0.21 0.82 115.64 132.32 1wpg s THR 701 Ca -0.07 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 1wpg s THR 701 Cb -0.10 -2.19 0.06 0.00 0.01 0.00 0.00 72.50 70.27 1wpg s THR 701 CO -0.01 0.56 0.89 -0.83 -0.69 0.00 0.00 174.62 174.54 1wpg s GLY 702 N -0.25 0.05 0.00 4.40 0.00 -0.26 -1.29 107.32 109.97 1wpg s GLY 702 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1wpg s GLY 702 CO 0.03 0.54 0.00 2.09 0.00 0.00 0.00 173.10 175.76 1wpg n ASP 703 N -0.92 0.50 -4.98 1.64 5.75 -1.26 -1.90 116.55 115.39 1wpg n ASP 703 Ca -0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.52 1wpg n ASP 703 Cb 0.60 0.08 0.03 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.53 1.82 0.24 6.12 0.00 -1.26 -0.81 107.32 112.90 1wpg s GLY 704 Ca 0.00 -1.34 0.24 0.00 0.00 0.00 0.00 44.72 43.62 1wpg s GLY 704 CO 0.00 -1.08 1.73 3.33 0.00 0.00 0.00 173.10 177.08 1wpg n VAL 705 N -2.26 0.76 1.33 1.40 0.24 -1.26 -1.62 118.33 116.92 1wpg n VAL 705 Ca 0.07 0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.62 1wpg n VAL 705 Cb 0.59 -1.02 0.72 0.00 -1.47 0.00 0.00 33.84 32.66 1wpg n VAL 705 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1wpg n ASN 706 N -2.24 0.00 0.01 -1.34 6.94 -1.13 -2.75 115.26 114.76 1wpg n ASN 706 Ca 0.03 -0.08 0.11 0.00 -0.02 0.00 0.00 54.58 54.62 1wpg n ASN 706 Cb 0.28 -0.30 -0.08 0.00 -2.36 0.00 0.00 39.78 37.32 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 -1.30 0.48 -0.22 0.53 8.00 -0.64 -4.47 116.55 118.92 1wpg n ASP 707 Ca 0.13 -0.24 -0.07 0.00 0.71 0.00 0.00 54.79 55.33 1wpg n ASP 707 Cb 0.24 1.26 -0.02 0.00 -0.02 0.00 0.00 41.12 42.58 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 2.38 -0.20 -0.20 2.24 0.00 -1.56 0.34 119.26 122.26 1wpg h ALA 708 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1wpg h ALA 708 Cb 0.81 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1wpg h ALA 708 CO 0.00 -0.77 -0.16 -1.35 0.00 0.00 0.00 179.25 176.97 1wpg h PRO 709 N -0.19 -0.16 -0.73 0.00 0.11 -1.82 -0.02 132.00 129.19 1wpg h PRO 709 Ca 0.21 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1wpg h PRO 709 Cb 0.56 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 1wpg h PRO 709 CO -0.71 -0.11 0.34 0.00 -0.21 0.00 0.00 178.00 177.32 1wpg h ALA 710 N 0.95 0.95 -0.40 -0.75 0.00 -1.58 0.02 119.26 118.44 1wpg h ALA 710 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wpg h ALA 710 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wpg h ALA 710 CO -0.30 0.52 0.24 -0.07 0.00 0.00 0.00 179.25 179.64 1wpg h LEU 711 N 1.03 0.48 0.06 0.00 3.38 0.22 -1.44 115.31 119.04 1wpg h LEU 711 Ca 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1wpg h LEU 711 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wpg h LEU 711 CO -0.03 0.37 -0.03 0.50 0.09 0.00 0.00 178.44 179.34 1wpg h LYS 712 N 0.55 -0.07 -0.43 1.13 1.63 -0.26 -3.32 116.57 115.79 1wpg h LYS 712 Ca 0.15 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1wpg h LYS 712 Cb -0.02 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1wpg h LYS 712 CO -0.03 0.51 0.25 -0.22 -3.45 0.00 0.00 179.45 176.51 1wpg h LYS 713 N -0.75 0.58 -7.16 1.90 1.63 -0.83 -3.44 116.57 108.51 1wpg h LYS 713 Ca -0.01 -0.05 -0.52 0.00 -0.85 0.00 0.00 60.65 59.22 1wpg h LYS 713 Cb 0.62 -0.12 0.12 0.00 -0.60 0.00 0.00 32.23 32.24 1wpg h LYS 713 CO 0.01 0.42 0.41 0.00 -3.45 0.00 0.00 179.45 176.84 1wpg s ALA 714 N -5.44 2.40 0.20 5.00 0.00 -0.56 -4.93 121.76 118.43 1wpg s ALA 714 Ca -0.08 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.54 1wpg s ALA 714 Cb 0.17 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 20.03 1wpg s ALA 714 CO 0.74 -1.38 1.82 0.93 0.00 0.00 0.00 175.76 177.88 1wpg h GLU 715 N 0.23 0.99 -4.15 0.00 3.07 -1.63 -3.39 114.58 109.70 1wpg h GLU 715 Ca -0.48 -0.11 -0.55 0.00 -0.50 0.00 0.00 59.36 57.72 1wpg h GLU 715 Cb 1.27 -0.20 -0.38 0.00 -0.84 0.00 0.00 28.75 28.61 1wpg h GLU 715 CO 0.53 0.73 -0.79 0.42 -1.40 0.00 0.00 179.01 178.50 1wpg s ILE 716 N -5.89 1.09 -0.25 3.13 1.09 -1.20 -4.97 121.20 114.20 1wpg s ILE 716 Ca -0.13 -0.59 -0.10 0.00 -1.10 0.00 0.00 60.65 58.72 1wpg s ILE 716 Cb 0.14 -1.26 -0.05 0.00 -1.06 0.00 0.00 42.46 40.24 1wpg s ILE 716 CO 0.79 0.14 0.16 -0.83 -0.10 0.00 0.00 174.94 175.11 1wpg s GLY 717 N 1.65 1.97 -0.21 6.18 0.00 -1.25 -1.23 107.32 114.42 1wpg s GLY 717 Ca 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 1wpg s GLY 717 CO -0.08 0.44 -0.10 -0.42 0.00 0.00 0.00 173.10 172.94 1wpg s ILE 718 N 1.18 2.83 -0.00 0.90 1.01 0.24 -0.20 121.20 127.16 1wpg s ILE 718 Ca 0.07 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1wpg s ILE 718 Cb -0.14 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1wpg s ILE 718 CO 0.06 0.42 -0.03 0.00 0.00 0.00 0.00 174.94 175.39 1wpg s ALA 719 N 1.39 3.16 0.25 9.38 0.00 -0.19 -1.10 121.76 134.64 1wpg s ALA 719 Ca 0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1wpg s ALA 719 Cb -0.14 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1wpg s ALA 719 CO -0.07 0.63 1.19 -1.64 0.00 0.00 0.00 175.76 175.87 1wpg s MET 720 N -1.48 4.52 0.40 0.00 -1.94 -0.80 -0.80 119.30 119.20 1wpg s MET 720 Ca 0.18 1.92 0.13 0.00 -1.71 0.00 0.00 55.69 56.21 1wpg s MET 720 Cb -0.11 -3.19 0.96 0.00 2.01 0.00 0.00 34.83 34.50 1wpg s MET 720 CO 0.09 -0.00 1.92 0.78 -0.01 0.00 0.00 175.02 177.79 1wpg h GLY 721 N 4.40 0.84 -3.03 -0.03 0.00 -1.17 -0.07 103.07 104.00 1wpg h GLY 721 Ca -0.46 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1wpg h GLY 721 CO 0.70 0.09 0.00 -1.14 0.00 0.00 0.00 176.54 176.19 1wpg n SER 722 N -4.50 4.69 -2.36 0.19 3.41 -1.26 -4.93 113.62 108.87 1wpg n SER 722 Ca 0.14 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1wpg n SER 722 Cb 0.47 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 1.04 -0.69 3.84 5.00 0.00 -0.04 -5.05 105.19 109.29 1wpg n GLY 723 Ca 0.25 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.33 4.54 0.24 2.61 -4.23 0.01 -4.95 115.64 113.53 1wpg s THR 724 Ca 0.00 1.19 -0.06 0.00 -1.18 0.00 0.00 61.69 61.65 1wpg s THR 724 Cb 0.00 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.41 1wpg s THR 724 CO 0.00 -0.38 1.86 0.00 -0.54 0.00 0.00 174.62 175.56 1wpg h ALA 725 N 1.72 1.18 -0.37 3.99 0.00 -1.97 -1.43 119.26 122.38 1wpg h ALA 725 Ca -0.48 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1wpg h ALA 725 Cb 1.18 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1wpg h ALA 725 CO 0.63 0.32 0.06 0.28 0.00 0.00 0.00 179.25 180.54 1wpg h VAL 726 N 1.02 0.79 -0.73 0.00 2.07 -1.91 0.85 116.25 118.35 1wpg h VAL 726 Ca 0.37 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 1wpg h VAL 726 Cb 0.12 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1wpg h VAL 726 CO -0.16 0.03 0.39 0.00 0.02 0.00 0.00 177.57 177.86 1wpg h ALA 727 N 1.29 0.93 -0.16 1.67 0.00 -1.53 -2.28 119.26 119.19 1wpg h ALA 727 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wpg h ALA 727 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wpg h ALA 727 CO -0.25 0.46 0.06 0.87 0.00 0.00 0.00 179.25 180.39 1wpg h LYS 728 N 1.01 0.24 0.00 0.00 1.57 -0.54 -2.74 116.57 116.10 1wpg h LYS 728 Ca 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1wpg h LYS 728 Cb 0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1wpg h LYS 728 CO -0.04 0.33 -0.03 1.79 -0.57 0.00 0.00 179.45 180.93 1wpg h THR 729 N 0.09 0.18 -0.36 -0.16 1.35 -0.69 -1.67 112.91 111.65 1wpg h THR 729 Ca 0.05 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1wpg h THR 729 Cb 0.19 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1wpg h THR 729 CO -0.00 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1wpg n ALA 730 N -2.15 2.45 -2.60 6.62 0.00 -0.87 -4.64 120.51 119.32 1wpg n ALA 730 Ca -0.02 -0.83 -0.23 0.00 0.00 0.00 0.00 53.44 52.36 1wpg n ALA 730 Cb 0.17 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.38 4.49 0.10 0.00 0.01 -0.63 -3.91 113.70 112.37 1wpg s SER 731 Ca 0.36 -0.73 0.16 0.00 1.31 0.00 0.00 55.95 57.05 1wpg s SER 731 Cb 0.20 -0.76 -0.11 0.00 0.21 0.00 0.00 66.02 65.56 1wpg s SER 731 CO 0.28 -0.09 0.93 -0.33 0.41 0.00 0.00 173.24 174.44 1wpg h GLU 732 N 1.82 0.00 -4.06 12.44 3.07 -0.88 -3.44 114.58 123.52 1wpg h GLU 732 Ca -0.44 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.27 1wpg h GLU 732 Cb 1.25 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.97 1wpg h GLU 732 CO 0.62 0.34 -0.69 -1.64 -1.40 0.00 0.00 179.01 176.24 1wpg s MET 733 N -2.92 0.42 -0.06 2.33 -1.94 -0.73 0.46 119.30 116.86 1wpg s MET 733 Ca -0.02 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1wpg s MET 733 Cb 0.09 0.15 0.01 0.00 2.01 0.00 0.00 34.83 37.09 1wpg s MET 733 CO 0.80 -0.07 -0.10 0.08 -0.01 0.00 0.00 175.02 175.72 1wpg s VAL 734 N -2.33 0.95 -0.96 -6.03 1.01 0.39 -1.02 120.40 112.40 1wpg s VAL 734 Ca -0.08 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1wpg s VAL 734 Cb -0.04 -0.89 0.17 0.00 0.00 0.00 0.00 36.38 35.63 1wpg s VAL 734 CO -0.04 0.31 1.08 -0.76 0.00 0.00 0.00 175.10 175.69 1wpg s LEU 735 N 0.70 5.62 0.58 3.92 1.43 0.02 -1.00 118.68 129.95 1wpg s LEU 735 Ca -0.13 -2.50 0.31 0.00 -1.03 0.00 0.00 54.13 50.77 1wpg s LEU 735 Cb -0.15 -2.33 1.38 0.00 0.03 0.00 0.00 46.19 45.12 1wpg s LEU 735 CO 0.03 -0.82 1.74 0.00 0.23 0.00 0.00 176.35 177.53 1wpg h ALA 736 N 8.10 2.60 -0.49 4.21 0.00 -1.67 0.12 119.26 132.14 1wpg h ALA 736 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wpg h ALA 736 Cb 0.99 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wpg h ALA 736 CO 1.02 -1.14 0.00 -0.40 0.00 0.00 0.00 179.25 178.73 1wpg n ASP 737 N -3.71 3.84 -1.70 0.00 5.75 -1.26 -4.61 116.55 114.86 1wpg n ASP 737 Ca 0.16 -2.32 -0.08 0.00 -0.01 0.00 0.00 54.79 52.54 1wpg n ASP 737 Cb 1.01 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.71 -2.40 -4.53 -1.12 8.00 0.20 -4.89 116.55 112.52 1wpg n ASP 738 Ca 0.20 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.52 1wpg n ASP 738 Cb 0.69 -2.30 -0.08 0.00 -0.02 0.00 0.00 41.12 39.41 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 -1.81 6.25 0.50 -2.24 3.84 -1.26 -4.95 114.94 115.27 1wpg s ASN 739 Ca 0.00 -0.30 0.21 0.00 0.21 0.00 0.00 52.86 52.98 1wpg s ASN 739 Cb 0.00 -2.25 1.26 0.00 -0.55 0.00 0.00 41.25 39.71 1wpg s ASN 739 CO 0.00 -0.52 2.00 0.15 -2.79 0.00 0.00 177.10 175.94 1wpg h PHE 740 N 8.59 0.15 -0.51 0.43 3.57 -1.90 -1.35 116.94 125.92 1wpg h PHE 740 Ca -0.27 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.35 1wpg h PHE 740 Cb 1.12 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1wpg h PHE 740 CO 0.69 0.07 0.36 0.77 -2.23 0.00 0.00 178.31 177.96 1wpg h SER 741 N 0.14 0.13 0.04 0.41 0.02 -1.93 -1.15 113.55 111.20 1wpg h SER 741 Ca 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1wpg h SER 741 Cb 0.77 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1wpg h SER 741 CO -0.03 0.07 -0.02 0.74 -1.14 0.00 0.00 176.83 176.45 1wpg h THR 742 N 0.14 0.82 -0.58 -2.27 2.02 -1.58 -1.85 112.91 109.61 1wpg h THR 742 Ca 0.24 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.28 1wpg h THR 742 Cb 0.78 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1wpg h THR 742 CO -0.03 0.02 0.14 0.40 0.37 0.00 0.00 175.52 176.43 1wpg h ILE 743 N 0.00 1.25 -0.65 3.11 2.04 -1.38 0.50 117.51 122.38 1wpg h ILE 743 Ca -0.00 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 1wpg h ILE 743 Cb 0.05 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1wpg h ILE 743 CO 0.00 0.33 0.06 0.58 0.00 0.00 0.00 178.15 179.12 1wpg h VAL 744 N 0.82 1.27 -0.52 1.67 2.07 -1.46 -0.77 116.25 119.33 1wpg h VAL 744 Ca 0.18 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1wpg h VAL 744 Cb 0.34 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1wpg h VAL 744 CO 0.00 0.41 -0.05 0.00 0.02 0.00 0.00 177.57 177.94 1wpg h ALA 745 N 1.03 0.93 -0.35 1.67 0.00 -1.15 -1.52 119.26 119.87 1wpg h ALA 745 Ca 0.19 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1wpg h ALA 745 Cb 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wpg h ALA 745 CO 0.02 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 1wpg h ALA 746 N 1.10 1.02 -0.41 0.00 0.00 -0.52 -0.27 119.26 120.18 1wpg h ALA 746 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1wpg h ALA 746 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wpg h ALA 746 CO 0.03 0.59 0.05 0.28 0.00 0.00 0.00 179.25 180.21 1wpg h VAL 747 N 0.59 1.25 -0.44 0.00 2.07 -0.81 0.22 116.25 119.12 1wpg h VAL 747 Ca 0.09 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1wpg h VAL 747 Cb 0.65 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1wpg h VAL 747 CO 0.05 0.31 0.24 -0.08 0.02 0.00 0.00 177.57 178.11 1wpg h GLU 748 N 0.53 0.62 -0.38 1.57 4.81 -1.00 -0.60 114.58 120.13 1wpg h GLU 748 Ca 0.12 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1wpg h GLU 748 Cb 0.39 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1wpg h GLU 748 CO 0.01 0.50 0.17 1.49 -0.73 0.00 0.00 179.01 180.44 1wpg h GLU 749 N 0.58 0.33 -0.92 1.92 4.57 -0.82 0.46 114.58 120.70 1wpg h GLU 749 Ca 0.16 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1wpg h GLU 749 Cb 0.06 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 1wpg h GLU 749 CO -0.02 0.22 0.61 0.78 -1.18 0.00 0.00 179.01 179.41 1wpg h GLY 750 N 0.34 1.32 1.35 1.92 0.00 -0.32 0.24 103.07 107.92 1wpg h GLY 750 Ca 0.17 -0.46 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 1wpg h GLY 750 CO -0.14 0.41 -0.65 3.21 0.00 0.00 0.00 176.54 179.36 1wpg h ARG 751 N 1.18 0.66 -0.38 4.80 3.08 -0.40 -2.04 114.38 121.28 1wpg h ARG 751 Ca 0.36 -0.48 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 1wpg h ARG 751 Cb -0.02 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1wpg h ARG 751 CO -0.10 1.10 -0.25 0.00 -1.07 0.00 0.00 179.97 179.65 1wpg h ALA 752 N 0.78 0.55 -0.49 0.04 0.00 -0.42 -2.38 119.26 117.34 1wpg h ALA 752 Ca -0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1wpg h ALA 752 Cb 1.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1wpg h ALA 752 CO 0.13 0.54 0.15 0.82 0.00 0.00 0.00 179.25 180.89 1wpg h ILE 753 N 0.65 1.23 -0.49 0.00 1.08 -0.55 -2.98 117.51 116.45 1wpg h ILE 753 Ca 0.08 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 1wpg h ILE 753 Cb 0.81 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1wpg h ILE 753 CO 0.07 0.28 0.28 0.22 -0.69 0.00 0.00 178.15 178.31 1wpg h TYR 754 N 0.66 0.65 -0.77 1.37 3.20 -1.29 -0.70 116.97 120.10 1wpg h TYR 754 Ca 0.16 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1wpg h TYR 754 Cb 0.28 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1wpg h TYR 754 CO 0.02 0.47 0.50 -0.91 -1.64 0.00 0.00 178.16 176.59 1wpg h ASN 755 N 0.65 0.69 -0.01 -2.11 2.35 -1.34 0.33 115.58 116.14 1wpg h ASN 755 Ca 0.17 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.74 1wpg h ASN 755 Cb 0.01 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.26 1wpg h ASN 755 CO -0.03 0.44 -0.74 0.78 -1.65 0.00 0.00 177.43 176.23 1wpg h ASN 756 N 0.78 0.66 -0.94 5.81 4.21 -1.31 -3.05 115.58 121.74 1wpg h ASN 756 Ca 0.34 -0.74 0.01 0.00 1.21 0.00 0.00 56.30 57.11 1wpg h ASN 756 Cb 0.31 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.26 1wpg h ASN 756 CO -0.12 1.32 0.61 0.24 -1.29 0.00 0.00 177.43 178.19 1wpg h MET 757 N 0.08 1.25 0.00 0.81 2.86 -0.42 0.90 114.93 120.40 1wpg h MET 757 Ca -0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1wpg h MET 757 Cb 1.43 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1wpg h MET 757 CO 0.15 0.84 -0.01 -0.22 1.06 0.00 0.00 176.91 178.72 1wpg h LYS 758 N 1.28 0.00 0.00 1.72 3.64 -0.37 -1.50 116.57 121.34 1wpg h LYS 758 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1wpg h LYS 758 Cb -0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1wpg h LYS 758 CO -0.07 0.01 -0.35 1.96 -2.27 0.00 0.00 179.45 178.73 1wpg h GLN 759 N 0.00 0.00 0.00 1.90 1.08 -0.74 -3.22 115.11 114.13 1wpg h GLN 759 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wpg h GLN 759 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1wpg h GLN 759 CO 0.00 0.00 0.00 1.97 -0.95 0.00 0.00 178.83 179.85 1wpg n PHE 760 N -4.65 0.76 0.12 2.96 1.16 -0.73 -0.62 117.46 116.46 1wpg n PHE 760 Ca -0.05 0.36 -0.24 0.00 -1.87 0.00 0.00 57.45 55.66 1wpg n PHE 760 Cb 0.18 -1.08 -0.15 0.00 -1.61 0.00 0.00 39.48 36.82 1wpg n PHE 760 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1wpg h ILE 761 N 0.00 1.32 -0.39 1.97 2.04 -1.43 -1.74 117.51 119.27 1wpg h ILE 761 Ca 0.00 -2.61 -0.09 0.00 1.00 0.00 0.00 64.86 63.16 1wpg h ILE 761 Cb 0.11 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1wpg h ILE 761 CO 0.00 0.78 -0.11 0.03 0.00 0.00 0.00 178.15 178.85 1wpg h ARG 762 N 0.10 0.77 0.14 2.37 3.08 -1.10 -0.96 114.38 118.77 1wpg h ARG 762 Ca -0.22 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.53 1wpg h ARG 762 Cb 2.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 32.02 1wpg h ARG 762 CO 0.25 0.91 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.97 1wpg h TYR 763 N 0.58 -0.44 0.12 3.04 3.20 -0.90 0.21 116.97 122.77 1wpg h TYR 763 Ca 0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1wpg h TYR 763 Cb 0.63 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1wpg h TYR 763 CO 0.05 -0.25 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.19 1wpg h LEU 764 N -0.35 -0.13 -1.31 2.82 3.38 -1.27 -2.42 115.31 116.02 1wpg h LEU 764 Ca 0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1wpg h LEU 764 Cb 0.35 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1wpg h LEU 764 CO -0.06 0.02 -0.13 0.40 0.09 0.00 0.00 178.44 178.75 1wpg h ILE 765 N -0.28 1.20 -0.73 1.22 2.04 -1.13 -1.90 117.51 117.93 1wpg h ILE 765 Ca -0.02 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1wpg h ILE 765 Cb 0.23 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1wpg h ILE 765 CO 0.03 0.27 0.41 -1.28 0.00 0.00 0.00 178.15 177.57 1wpg h SER 766 N 0.28 0.90 -0.48 1.72 0.87 -0.46 -2.35 113.55 114.03 1wpg h SER 766 Ca 0.06 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1wpg h SER 766 Cb 0.41 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1wpg h SER 766 CO 0.02 0.73 0.31 -1.28 -0.53 0.00 0.00 176.83 176.09 1wpg h SER 767 N 1.00 0.54 0.19 6.23 0.87 -0.86 -1.89 113.55 119.63 1wpg h SER 767 Ca 0.26 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1wpg h SER 767 Cb 0.03 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1wpg h SER 767 CO -0.04 0.39 -0.08 0.78 -0.53 0.00 0.00 176.83 177.34 1wpg h ASN 768 N 0.64 0.00 -0.17 6.23 4.21 -0.99 -2.16 115.58 123.34 1wpg h ASN 768 Ca 0.18 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 1wpg h ASN 768 Cb -0.06 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1wpg h ASN 768 CO -0.05 0.08 0.01 0.58 -1.29 0.00 0.00 177.43 176.77 1wpg h VAL 769 N 0.00 1.24 -0.49 2.81 2.07 -0.84 -2.10 116.25 118.94 1wpg h VAL 769 Ca -0.00 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1wpg h VAL 769 Cb 0.20 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1wpg h VAL 769 CO 0.01 0.24 0.24 1.23 0.02 0.00 0.00 177.57 179.31 1wpg h GLY 770 N 0.05 0.76 0.86 2.17 0.00 -1.33 -1.73 103.07 103.85 1wpg h GLY 770 Ca 0.05 -0.38 0.09 0.00 0.00 0.00 0.00 47.33 47.09 1wpg h GLY 770 CO 0.01 0.36 0.52 0.83 0.00 0.00 0.00 176.54 178.25 1wpg h GLU 771 N 0.65 0.73 -0.02 4.80 5.08 -1.30 0.09 114.58 124.61 1wpg h GLU 771 Ca 0.17 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.27 1wpg h GLU 771 Cb 0.12 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wpg h GLU 771 CO -0.02 0.49 -0.88 0.28 -1.00 0.00 0.00 179.01 177.88 1wpg h VAL 772 N 0.76 1.41 -0.38 3.13 2.07 -1.06 -2.65 116.25 119.52 1wpg h VAL 772 Ca 0.36 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 1wpg h VAL 772 Cb 0.40 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1wpg h VAL 772 CO -0.14 0.71 0.17 0.58 0.02 0.00 0.00 177.57 178.91 1wpg h VAL 773 N 0.23 1.18 0.36 2.57 2.07 -0.29 -1.33 116.25 121.04 1wpg h VAL 773 Ca -0.06 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1wpg h VAL 773 Cb 1.50 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1wpg h VAL 773 CO 0.15 0.20 -0.38 0.00 0.02 0.00 0.00 177.57 177.56 1wpg h ILE 775 N -0.77 0.75 -0.04 0.00 1.08 -1.36 0.12 117.51 117.29 1wpg h ILE 775 Ca -0.03 -0.06 -0.24 0.00 -0.39 0.00 0.00 64.86 64.15 1wpg h ILE 775 Cb 0.69 0.56 0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1wpg h ILE 775 CO -0.07 0.03 -0.93 0.15 -0.69 0.00 0.00 178.15 176.64 1wpg h PHE 776 N 0.17 0.88 -0.13 1.37 3.57 -0.23 -3.18 116.94 119.39 1wpg h PHE 776 Ca 0.32 -0.45 -0.13 0.00 3.53 0.00 0.00 57.97 61.24 1wpg h PHE 776 Cb 1.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1wpg h PHE 776 CO -0.00 1.28 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.88 1wpg h LEU 777 N 0.37 0.59 -1.80 0.59 3.38 0.33 -1.52 115.31 117.25 1wpg h LEU 777 Ca -0.09 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1wpg h LEU 777 Cb 1.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1wpg h LEU 777 CO 0.18 1.09 0.00 1.07 0.09 0.00 0.00 178.44 180.86 1wpg n THR 778 N -4.29 0.76 0.00 0.22 5.66 0.29 -1.91 114.28 115.01 1wpg n THR 778 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1wpg n THR 778 Cb 0.54 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 1wpg n THR 778 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wpg n ALA 779 N 0.43 1.79 0.14 1.79 0.00 -1.17 -4.44 120.51 119.04 1wpg n ALA 779 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1wpg n ALA 779 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 1wpg n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg h ALA 780 N 0.00 -0.15 -0.01 0.00 0.00 -1.21 -3.22 119.26 114.66 1wpg h ALA 780 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1wpg h ALA 780 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wpg h ALA 780 CO 0.00 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.18 1wpg n LEU 781 N -3.77 0.10 -0.95 0.00 4.32 -0.80 -4.87 117.00 111.02 1wpg n LEU 781 Ca -0.16 -0.05 -0.11 0.00 -0.02 0.00 0.00 56.01 55.67 1wpg n LEU 781 Cb 1.07 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.81 1wpg n LEU 781 CO 0.59 0.02 -0.11 0.61 -1.22 0.00 0.00 177.39 177.29 1wpg n GLY 782 N 0.68 1.08 3.77 -0.72 0.00 -1.22 -4.68 105.19 104.10 1wpg n GLY 782 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.74 2.34 0.45 0.99 1.43 -1.26 -4.57 118.68 115.31 1wpg s LEU 783 Ca 0.00 1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 1wpg s LEU 783 Cb 0.00 -3.75 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1wpg s LEU 783 CO 0.00 -2.32 0.99 -2.16 0.23 0.00 0.00 176.35 173.09 1wpg s PRO 784 N -5.12 4.08 -0.47 1.29 0.04 -1.26 -4.61 135.00 128.94 1wpg s PRO 784 Ca 0.62 1.24 -0.44 0.00 0.04 0.00 0.00 61.00 62.46 1wpg s PRO 784 Cb -0.16 -2.19 -0.19 0.00 0.04 0.00 0.00 34.50 32.00 1wpg s PRO 784 CO 0.55 -0.18 1.85 0.39 0.04 0.00 0.00 177.00 179.65 1wpg n GLU 785 N -0.68 0.18 -0.01 4.56 -0.58 -1.26 -4.84 120.64 118.02 1wpg n GLU 785 Ca 0.08 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.78 1wpg n GLU 785 Cb 0.53 -1.62 -0.14 0.00 -0.57 0.00 0.00 31.44 29.64 1wpg n GLU 785 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wpg h ALA 786 N 7.16 0.67 -2.97 0.62 0.00 -1.91 -3.45 119.26 119.38 1wpg h ALA 786 Ca -0.31 -1.38 -0.15 0.00 0.00 0.00 0.00 54.91 53.07 1wpg h ALA 786 Cb 1.38 0.43 -0.24 0.00 0.00 0.00 0.00 17.79 19.36 1wpg h ALA 786 CO 1.02 1.51 -0.41 -0.51 0.00 0.00 0.00 179.25 180.86 1wpg s LEU 787 N -6.29 1.09 0.22 0.00 1.43 -1.26 -4.50 118.68 109.37 1wpg s LEU 787 Ca -0.06 0.34 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1wpg s LEU 787 Cb 0.08 0.90 -0.04 0.00 0.03 0.00 0.00 46.19 47.15 1wpg s LEU 787 CO 0.82 -0.18 -0.13 0.27 0.23 0.00 0.00 176.35 177.36 1wpg s ILE 788 N -0.31 2.90 0.36 -0.59 -4.36 -1.26 -5.00 121.20 112.94 1wpg s ILE 788 Ca -0.04 -1.96 0.15 0.00 -0.26 0.00 0.00 60.65 58.54 1wpg s ILE 788 Cb -0.03 -2.48 0.36 0.00 1.25 0.00 0.00 42.46 41.56 1wpg s ILE 788 CO 0.01 -0.23 1.71 1.55 0.24 0.00 0.00 174.94 178.22 1wpg h PRO 789 N 2.61 0.40 -0.36 0.37 0.13 -1.94 0.20 132.00 133.41 1wpg h PRO 789 Ca -0.45 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1wpg h PRO 789 Cb 1.23 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1wpg h PRO 789 CO 0.55 0.27 0.07 0.28 -0.23 0.00 0.00 178.00 178.94 1wpg h VAL 790 N 0.42 1.18 -0.07 1.56 2.07 -1.96 -1.57 116.25 117.88 1wpg h VAL 790 Ca 0.67 -0.64 -0.23 0.00 0.82 0.00 0.00 66.70 67.32 1wpg h VAL 790 Cb 1.55 0.83 0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1wpg h VAL 790 CO -0.45 0.23 -0.87 1.56 0.02 0.00 0.00 177.57 178.06 1wpg h GLN 791 N 0.53 0.71 -0.25 1.57 4.20 -0.95 -3.25 115.11 117.66 1wpg h GLN 791 Ca 0.12 -0.67 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 1wpg h GLN 791 Cb 0.23 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1wpg h GLN 791 CO -0.00 1.27 0.09 -0.07 -0.67 0.00 0.00 178.83 179.44 1wpg h LEU 792 N 0.39 0.35 -1.08 1.46 3.38 -1.00 -2.91 115.31 115.91 1wpg h LEU 792 Ca -0.09 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.80 1wpg h LEU 792 Cb 1.52 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.10 1wpg h LEU 792 CO 0.17 0.44 0.62 -0.07 0.09 0.00 0.00 178.44 179.69 1wpg h LEU 793 N 0.24 0.90 -1.01 1.67 3.38 -1.40 -0.20 115.31 118.90 1wpg h LEU 793 Ca 0.08 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1wpg h LEU 793 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wpg h LEU 793 CO -0.00 0.52 -0.10 -0.25 0.09 0.00 0.00 178.44 178.69 1wpg h TRP 794 N 0.99 0.65 -0.12 1.13 2.91 -1.56 -1.04 115.95 118.92 1wpg h TRP 794 Ca 0.46 -0.10 -0.06 0.00 1.13 0.00 0.00 58.89 60.31 1wpg h TRP 794 Cb 0.41 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1wpg h TRP 794 CO -0.00 0.68 -0.17 0.28 -1.03 0.00 0.00 178.44 178.20 1wpg h VAL 795 N 0.56 1.37 0.00 2.65 2.07 -0.96 -0.24 116.25 121.71 1wpg h VAL 795 Ca 0.10 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1wpg h VAL 795 Cb 0.50 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1wpg h VAL 795 CO 0.03 0.41 0.00 0.59 0.02 0.00 0.00 177.57 178.62 1wpg n ASN 796 N -4.54 0.00 -0.01 0.57 3.02 -0.24 0.09 115.26 114.16 1wpg n ASN 796 Ca -0.07 -1.08 -0.01 0.00 -0.03 0.00 0.00 54.58 53.39 1wpg n ASN 796 Cb 0.39 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.95 2.80 0.03 3.41 4.32 -0.40 -2.47 117.00 123.73 1wpg n LEU 797 Ca 0.22 -0.01 -0.01 0.00 -0.02 0.00 0.00 56.01 56.19 1wpg n LEU 797 Cb 0.10 -0.05 -0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1wpg n LEU 797 CO 0.16 0.49 -0.16 0.52 -1.22 0.00 0.00 177.39 177.19 1wpg n VAL 798 N -2.51 1.09 -0.21 4.08 0.31 -0.18 -3.99 118.33 116.91 1wpg n VAL 798 Ca -0.03 0.31 -0.03 0.00 -0.01 0.00 0.00 64.34 64.59 1wpg n VAL 798 Cb 0.53 -1.65 0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 -0.10 0.22 0.00 2.52 2.02 -1.31 -2.29 112.91 113.97 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 0.26 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1wpg h THR 799 CO -0.01 0.00 -1.66 0.47 0.37 0.00 0.00 175.52 174.69 1wpg n ASP 800 N -5.44 0.28 -0.13 4.18 8.00 0.11 -4.36 116.55 119.19 1wpg n ASP 800 Ca 0.06 -0.10 -0.04 0.00 0.71 0.00 0.00 54.79 55.41 1wpg n ASP 800 Cb 0.35 1.57 0.04 0.00 -0.02 0.00 0.00 41.12 43.07 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 4.17 0.55 0.77 0.44 0.00 -1.56 -0.47 103.07 106.98 1wpg h GLY 801 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1wpg h GLY 801 CO 0.00 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 177.78 1wpg h LEU 802 N 0.29 -0.41 -1.36 3.11 -0.00 -1.67 -2.41 115.31 112.86 1wpg h LEU 802 Ca 0.20 -0.11 0.16 0.00 -0.00 0.00 0.00 57.88 58.13 1wpg h LEU 802 Cb 0.22 0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.91 1wpg h LEU 802 CO -0.23 -0.11 0.57 -0.65 -0.00 0.00 0.00 178.44 178.02 1wpg h PRO 803 N -0.71 0.58 -0.05 1.13 0.11 -1.72 -0.41 132.00 130.92 1wpg h PRO 803 Ca -0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1wpg h PRO 803 Cb 0.50 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1wpg h PRO 803 CO 0.08 0.38 0.02 0.00 -0.21 0.00 0.00 178.00 178.27 1wpg h ALA 804 N 1.61 0.07 -0.90 -0.75 0.00 -0.99 -1.85 119.26 116.45 1wpg h ALA 804 Ca 0.45 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1wpg h ALA 804 Cb 0.84 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1wpg h ALA 804 CO -0.20 -0.34 0.59 1.15 0.00 0.00 0.00 179.25 180.46 1wpg h THR 805 N -0.09 1.12 0.00 0.00 2.02 -0.67 -1.06 112.91 114.22 1wpg h THR 805 Ca 0.02 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1wpg h THR 805 Cb 0.19 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1wpg h THR 805 CO -0.00 0.20 -0.29 0.00 0.37 0.00 0.00 175.52 175.80 1wpg h ALA 806 N 1.49 1.27 0.00 6.16 0.00 -0.87 -2.25 119.26 125.06 1wpg h ALA 806 Ca 0.37 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1wpg h ALA 806 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wpg h ALA 806 CO -0.12 0.36 -0.39 -0.07 0.00 0.00 0.00 179.25 179.03 1wpg h LEU 807 N 0.00 0.00 0.00 0.00 3.38 -0.34 -1.80 115.31 116.55 1wpg h LEU 807 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wpg h LEU 807 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wpg h LEU 807 CO 0.04 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1wpg n GLY 808 N -0.15 -0.48 0.69 0.83 0.00 -0.84 -1.64 105.19 103.59 1wpg n GLY 808 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.95 0.43 -1.79 1.61 3.72 -0.68 -4.93 117.46 114.88 1wpg n PHE 809 Ca 0.10 -0.41 -0.40 0.00 -0.05 0.00 0.00 57.45 56.70 1wpg n PHE 809 Cb 0.05 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.01 5.80 0.19 4.37 0.01 -0.65 -4.92 114.94 118.73 1wpg s ASN 810 Ca 0.24 2.91 -0.31 0.00 -0.71 0.00 0.00 52.86 55.00 1wpg s ASN 810 Cb 0.13 -2.65 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1wpg s ASN 810 CO 0.18 -1.23 1.43 -2.16 -1.51 0.00 0.00 177.10 173.81 1wpg s PRO 811 N -2.50 4.29 0.68 -0.60 0.04 -1.26 -4.96 135.00 130.69 1wpg s PRO 811 Ca 0.62 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.74 1wpg s PRO 811 Cb -0.43 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1wpg s PRO 811 CO 0.55 -0.43 1.10 -1.25 0.04 0.00 0.00 177.00 177.02 1wpg s PRO 812 N 0.29 2.70 1.21 0.56 0.04 -1.26 -5.03 135.00 133.51 1wpg s PRO 812 Ca 0.62 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1wpg s PRO 812 Cb -0.40 -1.94 0.29 0.00 0.04 0.00 0.00 34.50 32.48 1wpg s PRO 812 CO 0.37 -1.32 1.06 -0.51 0.04 0.00 0.00 177.00 176.64 1wpg s ASP 813 N -2.76 0.78 -0.18 6.66 1.01 -1.26 -5.00 116.67 115.91 1wpg s ASP 813 Ca 0.66 0.85 -0.03 0.00 0.71 0.00 0.00 52.55 54.74 1wpg s ASP 813 Cb -0.20 -1.25 -0.22 0.00 1.01 0.00 0.00 42.92 42.27 1wpg s ASP 813 CO 0.44 -4.23 0.09 0.18 0.21 0.00 0.00 175.17 171.87 1wpg n LEU 814 N -4.86 2.79 -0.95 1.23 4.32 -1.26 -4.25 117.00 114.00 1wpg n LEU 814 Ca 0.11 0.05 0.02 0.00 -0.02 0.00 0.00 56.01 56.17 1wpg n LEU 814 Cb 0.59 -1.02 0.13 0.00 -1.62 0.00 0.00 43.42 41.50 1wpg n LEU 814 CO 0.48 0.89 0.46 -0.90 -1.22 0.00 0.00 177.39 177.10 1wpg n ASP 815 N -3.39 2.55 -0.26 -1.43 5.75 -1.26 -4.41 116.55 114.10 1wpg n ASP 815 Ca -0.38 -2.30 -0.01 0.00 -0.01 0.00 0.00 54.79 52.09 1wpg n ASP 815 Cb 1.02 -0.56 0.12 0.00 -1.03 0.00 0.00 41.12 40.67 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 1.32 0.98 -0.01 2.12 2.10 -1.97 -1.38 117.51 120.67 1wpg h ILE 816 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1wpg h ILE 816 Cb 0.98 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1wpg h ILE 816 CO 0.16 0.14 -0.09 0.23 -1.08 0.00 0.00 178.15 177.51 1wpg n MET 817 N -4.74 1.37 -0.17 2.19 2.81 -1.26 -3.62 117.12 113.70 1wpg n MET 817 Ca 0.10 -0.81 0.11 0.00 -1.81 0.00 0.00 57.70 55.30 1wpg n MET 817 Cb 0.18 -1.48 0.25 0.00 -0.71 0.00 0.00 33.22 31.46 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 -0.11 3.07 -4.59 7.83 9.92 -0.54 -3.69 116.55 128.44 1wpg n ASP 818 Ca 0.16 -1.94 -0.25 0.00 -0.53 0.00 0.00 54.79 52.23 1wpg n ASP 818 Cb 0.36 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.52 1wpg n ASP 818 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wpg s ARG 819 N -1.55 2.13 0.83 -1.24 3.52 -1.07 -4.89 118.95 116.67 1wpg s ARG 819 Ca 0.37 -1.33 -0.11 0.00 -0.13 0.00 0.00 55.73 54.53 1wpg s ARG 819 Cb 0.22 -2.15 0.09 0.00 -1.56 0.00 0.00 34.95 31.54 1wpg s ARG 819 CO 0.30 0.41 1.09 -1.25 -0.81 0.00 0.00 175.30 175.04 1wpg s PRO 820 N -3.12 1.85 0.40 5.12 0.04 -1.26 -4.50 135.00 133.53 1wpg s PRO 820 Ca 0.27 0.83 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 1wpg s PRO 820 Cb -0.08 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1wpg s PRO 820 CO 0.17 -1.84 1.42 -2.30 0.04 0.00 0.00 177.00 174.49 1wpg n PRO 821 N -3.61 2.40 -2.63 0.56 -0.02 -1.23 -4.97 135.00 125.50 1wpg n PRO 821 Ca 0.07 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 1wpg n PRO 821 Cb 0.55 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1wpg n PRO 821 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1wpg s ARG 822 N -2.19 4.18 0.33 -0.52 1.70 -1.26 -4.99 118.95 116.20 1wpg s ARG 822 Ca 0.57 1.39 -0.29 0.00 -0.47 0.00 0.00 55.73 56.93 1wpg s ARG 822 Cb -0.48 -2.44 -0.11 0.00 -0.57 0.00 0.00 34.95 31.35 1wpg s ARG 822 CO 0.61 -0.11 1.43 0.45 -1.08 0.00 0.00 175.30 176.60 1wpg s SER 823 N -1.75 6.55 0.36 -2.89 0.15 -1.26 -4.90 113.70 109.96 1wpg s SER 823 Ca 0.59 2.84 0.06 0.00 0.70 0.00 0.00 55.95 60.15 1wpg s SER 823 Cb -0.18 -2.65 0.68 0.00 -1.71 0.00 0.00 66.02 62.16 1wpg s SER 823 CO 0.23 -0.73 1.90 -0.65 1.20 0.00 0.00 173.24 175.19 1wpg h PRO 824 N 3.72 0.43 -0.01 5.44 0.11 -1.92 -2.56 132.00 137.22 1wpg h PRO 824 Ca -0.49 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1wpg h PRO 824 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wpg h PRO 824 CO 0.69 0.48 0.00 1.63 -0.21 0.00 0.00 178.00 180.59 1wpg n LYS 825 N -4.30 1.23 -1.67 1.05 4.76 -1.26 -4.82 118.16 113.15 1wpg n LYS 825 Ca 0.01 -0.34 -0.46 0.00 -2.87 0.00 0.00 58.31 54.65 1wpg n LYS 825 Cb 0.24 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1wpg n LYS 825 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1wpg n GLU 826 N -0.57 2.41 -2.31 1.97 2.13 -0.97 -4.93 120.64 118.37 1wpg n GLU 826 Ca 0.21 0.88 -0.40 0.00 0.66 0.00 0.00 57.16 58.51 1wpg n GLU 826 Cb 0.19 -2.77 -0.03 0.00 0.27 0.00 0.00 31.44 29.10 1wpg n GLU 826 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wpg s PRO 827 N 4.24 4.39 0.46 5.31 0.04 -1.26 -4.93 135.00 143.25 1wpg s PRO 827 Ca 0.92 1.95 0.15 0.00 0.04 0.00 0.00 61.00 64.05 1wpg s PRO 827 Cb -0.61 -3.01 1.06 0.00 0.04 0.00 0.00 34.50 31.98 1wpg s PRO 827 CO 0.49 -0.06 2.02 -0.07 0.04 0.00 0.00 177.00 179.42 1wpg h LEU 828 N 3.35 0.00 -7.06 -3.56 3.38 -1.98 -3.43 115.31 106.03 1wpg h LEU 828 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1wpg h LEU 828 Cb 1.22 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.75 1wpg h LEU 828 CO 0.65 0.15 -0.06 -0.51 0.09 0.00 0.00 178.44 178.76 1wpg s ILE 829 N -4.73 -0.01 0.07 1.22 2.07 -1.26 -5.02 121.20 113.55 1wpg s ILE 829 Ca -0.04 0.02 -0.26 0.00 -1.41 0.00 0.00 60.65 58.96 1wpg s ILE 829 Cb 0.16 -0.90 0.09 0.00 0.13 0.00 0.00 42.46 41.94 1wpg s ILE 829 CO 0.69 0.01 1.18 -0.94 -1.91 0.00 0.00 174.94 173.97 1wpg s SER 830 N 1.58 -0.01 1.76 4.50 1.04 -1.26 -4.80 113.70 116.51 1wpg s SER 830 Ca -0.10 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1wpg s SER 830 Cb -0.06 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1wpg s SER 830 CO -0.18 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1wpg n GLY 831 N -0.77 3.11 0.25 7.32 0.00 -1.26 -2.63 105.19 111.21 1wpg n GLY 831 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.84 -0.62 1.61 2.91 -2.00 -2.10 115.95 116.59 1wpg h TRP 832 Ca 0.00 -0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.07 1wpg h TRP 832 Cb 0.00 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.35 1wpg h TRP 832 CO 0.00 0.65 0.42 1.25 -1.03 0.00 0.00 178.44 179.72 1wpg h LEU 833 N 0.79 0.43 0.76 0.65 5.85 -1.92 0.89 115.31 122.76 1wpg h LEU 833 Ca 0.20 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1wpg h LEU 833 Cb 0.13 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1wpg h LEU 833 CO -0.02 0.26 -0.44 0.15 -0.34 0.00 0.00 178.44 178.05 1wpg h PHE 834 N 0.48 -1.16 -0.44 1.25 3.57 -1.33 0.86 116.94 120.17 1wpg h PHE 834 Ca 0.28 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1wpg h PHE 834 Cb 0.48 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1wpg h PHE 834 CO -0.00 -0.67 0.23 0.35 -2.23 0.00 0.00 178.31 175.99 1wpg h PHE 835 N -1.11 0.43 -0.87 0.41 3.57 -1.15 0.26 116.94 118.47 1wpg h PHE 835 Ca -0.10 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.58 1wpg h PHE 835 Cb 0.88 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 1wpg h PHE 835 CO -0.05 0.23 0.45 -0.09 -2.23 0.00 0.00 178.31 176.62 1wpg h ARG 836 N 0.47 0.59 -0.00 1.11 2.43 1.00 0.27 114.38 120.24 1wpg h ARG 836 Ca 0.19 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1wpg h ARG 836 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1wpg h ARG 836 CO -0.12 0.39 -0.40 0.66 -1.51 0.00 0.00 179.97 179.00 1wpg n TYR 837 N -4.88 0.00 0.09 2.20 0.53 0.28 -2.99 117.16 112.39 1wpg n TYR 837 Ca 0.18 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.99 1wpg n TYR 837 Cb 0.48 -0.28 -0.01 0.00 -1.03 0.00 0.00 39.34 38.49 1wpg n TYR 837 CO 0.00 0.00 0.00 1.98 -1.02 0.00 0.00 176.86 177.82 1wpg h MET 838 N 0.07 0.12 0.00 -0.72 4.05 0.29 -2.80 114.93 115.95 1wpg h MET 838 Ca 0.00 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1wpg h MET 838 Cb 0.50 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1wpg h MET 838 CO 0.00 0.92 -0.00 0.00 0.23 0.00 0.00 176.91 178.06 1wpg h ALA 839 N 1.03 -0.01 -1.01 0.39 0.00 -1.17 -2.93 119.26 115.57 1wpg h ALA 839 Ca -0.03 -0.32 0.26 0.00 0.00 0.00 0.00 54.91 54.82 1wpg h ALA 839 Cb 1.53 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1wpg h ALA 839 CO 0.13 -0.01 0.68 0.82 0.00 0.00 0.00 179.25 180.87 1wpg h ILE 840 N -0.99 0.54 0.10 0.00 1.08 -1.63 0.99 117.51 117.60 1wpg h ILE 840 Ca -0.00 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1wpg h ILE 840 Cb 0.65 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1wpg h ILE 840 CO 0.00 0.05 -0.05 1.23 -0.69 0.00 0.00 178.15 178.69 1wpg h GLY 841 N 0.26 -0.14 0.29 5.37 0.00 -1.57 -2.55 103.07 104.73 1wpg h GLY 841 Ca 0.53 0.05 0.14 0.00 0.00 0.00 0.00 47.33 48.05 1wpg h GLY 841 CO -0.17 -0.05 0.46 -1.33 0.00 0.00 0.00 176.54 175.45 1wpg h GLY 842 N -0.64 1.38 0.83 4.60 0.00 -0.70 -0.48 103.07 108.07 1wpg h GLY 842 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1wpg h GLY 842 CO 0.02 0.00 -0.36 -1.82 0.00 0.00 0.00 176.54 174.38 1wpg h TYR 843 N 0.67 -0.96 -0.92 5.60 3.20 -0.98 -2.10 116.97 121.48 1wpg h TYR 843 Ca 0.45 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.45 1wpg h TYR 843 Cb 0.60 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.14 1wpg h TYR 843 CO -0.08 -0.54 0.59 0.28 -1.64 0.00 0.00 178.16 176.77 1wpg h VAL 844 N -0.88 0.86 0.00 1.81 2.07 -0.97 0.30 116.25 119.44 1wpg h VAL 844 Ca -0.07 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1wpg h VAL 844 Cb 0.72 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1wpg h VAL 844 CO 0.06 0.14 -0.10 1.23 0.02 0.00 0.00 177.57 178.92 1wpg h GLY 845 N 0.78 0.00 0.33 2.17 0.00 -0.68 -2.49 103.07 103.17 1wpg h GLY 845 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.43 1wpg h GLY 845 CO -0.23 0.00 -2.21 0.00 0.00 0.00 0.00 176.54 174.10 1wpg n ALA 846 N -2.19 1.26 0.20 3.60 0.00 0.27 -3.64 120.51 120.00 1wpg n ALA 846 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 53.44 52.56 1wpg n ALA 846 Cb 0.29 -0.40 0.47 0.00 0.00 0.00 0.00 19.45 19.80 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 0.27 1.63 0.06 0.00 0.00 -0.47 0.22 119.26 120.98 1wpg h ALA 847 Ca -0.49 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 1wpg h ALA 847 Cb 2.01 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.76 1wpg h ALA 847 CO 0.01 0.27 -0.36 1.79 0.00 0.00 0.00 179.25 180.96 1wpg h THR 848 N 0.05 1.66 -0.51 0.00 1.35 -1.63 -2.45 112.91 111.38 1wpg h THR 848 Ca 0.01 -2.40 -0.09 0.00 -0.55 0.00 0.00 66.41 63.38 1wpg h THR 848 Cb 0.36 3.27 -0.02 0.00 -1.73 0.00 0.00 68.15 70.03 1wpg h THR 848 CO 0.03 0.65 -0.04 0.58 -0.25 0.00 0.00 175.52 176.48 1wpg h VAL 849 N -0.70 1.27 -0.59 6.82 2.07 -1.60 -2.68 116.25 120.83 1wpg h VAL 849 Ca -0.06 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1wpg h VAL 849 Cb 1.27 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1wpg h VAL 849 CO 0.07 0.41 0.07 1.23 0.02 0.00 0.00 177.57 179.37 1wpg h GLY 850 N 0.79 1.05 2.00 2.17 0.00 -0.67 0.98 103.07 109.39 1wpg h GLY 850 Ca 0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1wpg h GLY 850 CO 0.03 0.64 -0.17 0.00 0.00 0.00 0.00 176.54 177.04 1wpg h ALA 851 N 1.16 1.45 0.09 3.60 0.00 -1.30 0.46 119.26 124.72 1wpg h ALA 851 Ca 0.18 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1wpg h ALA 851 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wpg h ALA 851 CO 0.01 0.21 -0.87 0.00 0.00 0.00 0.00 179.25 178.60 1wpg h ALA 852 N 1.83 0.05 -0.31 0.00 0.00 -1.06 -3.28 119.26 116.48 1wpg h ALA 852 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1wpg h ALA 852 Cb 0.36 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wpg h ALA 852 CO 0.02 0.47 0.05 0.00 0.00 0.00 0.00 179.25 179.80 1wpg h ALA 853 N -0.04 1.51 -0.28 0.00 0.00 -0.50 -2.72 119.26 117.22 1wpg h ALA 853 Ca -0.18 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1wpg h ALA 853 Cb 1.51 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1wpg h ALA 853 CO 0.05 0.36 0.04 2.35 0.00 0.00 0.00 179.25 182.05 1wpg h TRP 854 N 0.45 0.07 -0.48 0.00 7.01 -0.18 -2.05 115.95 120.77 1wpg h TRP 854 Ca 0.11 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1wpg h TRP 854 Cb 0.21 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 1wpg h TRP 854 CO 0.01 0.00 0.17 2.35 -2.79 0.00 0.00 178.44 178.18 1wpg h TRP 855 N 0.14 0.70 0.00 2.65 7.01 -1.55 -0.83 115.95 124.07 1wpg h TRP 855 Ca 0.13 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1wpg h TRP 855 Cb 0.15 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1wpg h TRP 855 CO -0.18 0.56 0.00 1.19 -2.79 0.00 0.00 178.44 177.22 1wpg n PHE 856 N -4.34 0.00 0.10 2.65 0.99 -0.80 -4.12 117.46 111.94 1wpg n PHE 856 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1wpg n PHE 856 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 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 -0.64 0.00 -0.02 -1.08 2.81 -0.72 -0.92 117.12 116.55 1wpg n MET 857 Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1wpg n MET 857 Cb 0.03 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 32.72 1wpg n MET 857 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1wpg n TYR 858 N -3.15 0.06 -1.71 2.03 4.02 -0.40 -3.96 117.16 114.05 1wpg n TYR 858 Ca 0.00 -0.03 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 1wpg n TYR 858 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.94 2.34 -0.69 -0.72 0.00 -1.01 -4.98 121.76 114.77 1wpg s ALA 859 Ca 0.31 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1wpg s ALA 859 Cb 0.20 -3.03 0.37 0.00 0.00 0.00 0.00 23.12 20.66 1wpg s ALA 859 CO 0.31 -1.77 1.47 0.39 0.00 0.00 0.00 175.76 176.16 1wpg n GLU 860 N -3.42 3.54 0.00 0.00 1.02 -1.26 -4.25 120.64 116.27 1wpg n GLU 860 Ca 0.07 -4.32 0.00 0.00 -0.02 0.00 0.00 57.16 52.89 1wpg n GLU 860 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 -0.38 0.00 0.00 1.62 8.00 -1.26 -5.02 116.55 119.51 1wpg n ASP 861 Ca 0.43 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1wpg n ASP 861 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.21 3.48 0.44 0.00 -1.26 -5.13 105.19 101.50 1wpg n GLY 862 Ca 0.00 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 0.58 -2.87 1.61 -0.02 -1.26 -4.45 135.00 128.58 1wpg n PRO 863 Ca 0.00 0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1wpg n PRO 863 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1wpg n PRO 863 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpg n GLY 864 N 1.74 3.68 3.60 -1.23 0.00 -0.09 -4.84 105.19 108.04 1wpg n GLY 864 Ca 0.11 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.35 3.12 -2.00 1.61 1.01 -1.26 -4.74 120.40 115.79 1wpg s VAL 865 Ca 0.12 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1wpg s VAL 865 Cb 0.01 -3.17 0.20 0.00 0.00 0.00 0.00 36.38 33.42 1wpg s VAL 865 CO 0.08 -0.11 0.87 0.35 0.00 0.00 0.00 175.10 176.29 1wpg n THR 866 N 7.70 0.00 -1.22 3.92 -2.24 -1.26 -2.35 114.28 118.82 1wpg n THR 866 Ca 0.29 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.01 1wpg n THR 866 Cb 0.46 -0.50 0.23 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.73 1.74 -1.42 4.78 4.02 -1.26 -4.94 117.16 119.35 1wpg n TYR 867 Ca 0.05 -1.40 -0.14 0.00 -0.01 0.00 0.00 57.90 56.40 1wpg n TYR 867 Cb 0.02 -0.58 -0.06 0.00 -0.02 0.00 0.00 39.34 38.70 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 -0.78 0.00 1.43 -0.72 -0.00 -0.99 -4.80 115.22 109.36 1wpg n HIS 868 Ca 0.37 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.62 1wpg n HIS 868 Cb 1.21 -3.01 0.38 0.00 -0.12 0.00 0.00 29.99 28.45 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 -1.34 0.72 0.12 1.57 1.13 -1.25 -2.63 117.38 115.69 1wpg n GLN 869 Ca -0.14 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.02 1wpg n GLN 869 Cb 0.62 -1.28 0.48 0.00 0.11 0.00 0.00 30.24 30.17 1wpg n GLN 869 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1wpg n LEU 870 N -0.78 0.52 0.01 1.08 7.94 -1.26 -1.85 117.00 122.65 1wpg n LEU 870 Ca 0.10 0.68 -0.04 0.00 -1.11 0.00 0.00 56.01 55.64 1wpg n LEU 870 Cb 0.04 -0.68 0.19 0.00 0.53 0.00 0.00 43.42 43.50 1wpg n LEU 870 CO 0.07 -0.71 0.71 0.74 -1.11 0.00 0.00 177.39 177.10 1wpg h THR 871 N 0.00 1.27 -0.58 1.96 2.02 -1.75 -2.92 112.91 112.92 1wpg h THR 871 Ca 0.00 -1.31 -0.21 0.00 0.77 0.00 0.00 66.41 65.66 1wpg h THR 871 Cb 0.16 1.38 -0.12 0.00 -1.74 0.00 0.00 68.15 67.83 1wpg h THR 871 CO 0.00 0.42 0.26 1.41 0.37 0.00 0.00 175.52 177.98 1wpg n HIS 872 N -4.11 1.89 0.20 3.16 8.25 -0.77 -4.45 115.22 119.38 1wpg n HIS 872 Ca -0.01 -1.04 0.17 0.00 -0.26 0.00 0.00 57.72 56.59 1wpg n HIS 872 Cb 0.42 -0.59 0.82 0.00 1.12 0.00 0.00 29.99 31.76 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 1.68 0.00 -0.81 4.41 -5.15 -1.65 -1.03 116.94 114.38 1wpg h PHE 873 Ca 0.25 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 58.05 1wpg h PHE 873 Cb 2.00 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 38.12 1wpg h PHE 873 CO 0.98 0.00 0.53 0.52 -2.00 0.00 0.00 178.31 178.35 1wpg h MET 874 N 0.00 1.00 -2.35 6.09 2.86 -1.87 -3.03 114.93 117.63 1wpg h MET 874 Ca 0.10 -0.06 -0.59 0.00 -2.06 0.00 0.00 59.70 57.08 1wpg h MET 874 Cb 0.54 -0.23 -0.13 0.00 0.06 0.00 0.00 31.60 31.85 1wpg h MET 874 CO -0.00 0.66 1.50 1.04 1.06 0.00 0.00 176.91 181.17 1wpg n GLN 875 N -4.44 3.45 -0.09 1.72 6.02 -0.39 -4.24 117.38 119.41 1wpg n GLN 875 Ca 0.10 -2.71 -0.13 0.00 -0.01 0.00 0.00 57.00 54.25 1wpg n GLN 875 Cb 0.08 -2.40 -0.09 0.00 1.02 0.00 0.00 30.24 28.86 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 0.00 1.24 -0.01 0.00 2.02 -1.85 -2.66 112.91 111.65 1wpg h THR 877 Ca -0.42 -2.91 -0.01 0.00 0.77 0.00 0.00 66.41 63.84 1wpg h THR 877 Cb 1.66 2.59 -0.00 0.00 -1.74 0.00 0.00 68.15 70.66 1wpg h THR 877 CO -0.06 0.71 -0.01 -0.08 0.37 0.00 0.00 175.52 176.44 1wpg h GLU 878 N 0.00 0.03 -2.48 6.66 4.57 -1.82 -3.39 114.58 118.15 1wpg h GLU 878 Ca -0.10 -0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.47 1wpg h GLU 878 Cb 1.76 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 29.96 1wpg h GLU 878 CO 0.10 0.52 -0.90 -0.25 -1.18 0.00 0.00 179.01 177.30 1wpg n ASP 879 N -4.82 0.33 0.13 1.04 8.00 -1.26 -5.00 116.55 114.97 1wpg n ASP 879 Ca -0.08 -2.58 -0.13 0.00 0.71 0.00 0.00 54.79 52.70 1wpg n ASP 879 Cb 0.27 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 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 5.44 -0.32 0.00 1.24 -0.00 -1.68 -2.56 115.15 117.26 1wpg h HIS 880 Ca 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1wpg h HIS 880 Cb 0.87 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1wpg h HIS 880 CO 0.36 -0.20 0.00 -0.35 -0.00 0.00 0.00 177.93 177.75 1wpg n PRO 881 N -5.24 0.09 0.00 5.26 -0.04 -1.26 -3.46 135.00 130.34 1wpg n PRO 881 Ca -0.08 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wpg n PRO 881 Cb 0.16 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.14 0.00 -2.68 0.54 8.25 -0.97 -4.63 115.22 114.60 1wpg n HIS 882 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.41 1wpg n HIS 882 Cb 0.02 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.17 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 1.03 0.00 4.41 3.01 -1.26 -5.01 117.46 119.64 1wpg n PHE 883 Ca 0.00 -2.68 0.00 0.00 1.01 0.00 0.00 57.45 55.78 1wpg n PHE 883 Cb 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 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 -0.15 0.00 -0.43 -1.08 -0.58 -1.23 -4.99 120.64 112.18 1wpg n GLU 884 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 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 4.43 0.94 3.76 0.62 0.00 -1.26 -5.07 105.19 108.60 1wpg n GLY 885 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.06 0.38 0.99 2.34 -1.26 -5.14 118.68 116.05 1wpg s LEU 886 Ca 0.00 -0.94 -0.28 0.00 0.06 0.00 0.00 54.13 52.97 1wpg s LEU 886 Cb 0.00 2.47 -0.11 0.00 -0.56 0.00 0.00 46.19 47.99 1wpg s LEU 886 CO 0.00 -1.42 1.48 -0.62 -1.06 0.00 0.00 176.35 174.73 1wpg s ASP 887 N -3.02 6.30 0.01 1.48 -1.08 -1.26 -4.91 116.67 114.20 1wpg s ASP 887 Ca 0.17 3.04 0.27 0.00 -0.52 0.00 0.00 52.55 55.51 1wpg s ASP 887 Cb -0.04 -2.67 0.86 0.00 -1.46 0.00 0.00 42.92 39.61 1wpg s ASP 887 CO 0.10 -0.90 1.67 0.00 0.52 0.00 0.00 175.17 176.56 1wpg n GLU 889 N -1.55 1.77 0.10 0.00 2.13 -1.26 -3.61 120.64 118.22 1wpg n GLU 889 Ca 0.06 -0.82 -0.00 0.00 0.66 0.00 0.00 57.16 57.06 1wpg n GLU 889 Cb 0.35 -1.42 -0.02 0.00 0.27 0.00 0.00 31.44 30.61 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 1.18 0.99 -0.15 6.31 6.09 -1.96 -3.28 117.51 126.69 1wpg h ILE 890 Ca 0.00 -2.45 -0.05 0.00 -1.37 0.00 0.00 64.86 60.98 1wpg h ILE 890 Cb 0.58 2.46 -0.03 0.00 0.47 0.00 0.00 36.82 40.29 1wpg h ILE 890 CO 0.07 0.57 0.07 0.49 -3.07 0.00 0.00 178.15 176.27 1wpg n PHE 891 N -3.20 0.48 -1.10 2.19 3.01 -1.24 -2.53 117.46 115.07 1wpg n PHE 891 Ca -0.00 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.97 1wpg n PHE 891 Cb 0.80 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1wpg n PHE 891 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1wpg n GLU 892 N 0.17 0.00 -1.72 -1.08 1.02 -1.24 -4.84 120.64 112.95 1wpg n GLU 892 Ca 0.08 -0.26 -0.41 0.00 -0.02 0.00 0.00 57.16 56.55 1wpg n GLU 892 Cb 0.59 -0.45 0.01 0.00 -0.02 0.00 0.00 31.44 31.57 1wpg n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpg n ALA 893 N 0.00 1.57 0.26 0.62 0.00 -1.05 -4.91 120.51 117.00 1wpg n ALA 893 Ca 0.00 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.85 1wpg n ALA 893 Cb 0.40 -2.31 0.59 0.00 0.00 0.00 0.00 19.45 18.12 1wpg n ALA 893 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wpg h PRO 894 N 2.20 0.00 0.23 0.00 0.11 -1.92 -3.32 132.00 129.30 1wpg h PRO 894 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wpg h PRO 894 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1wpg h PRO 894 CO 0.60 0.07 -0.19 0.93 -0.21 0.00 0.00 178.00 179.20 1wpg h GLU 895 N 0.00 -0.42 -0.62 1.05 3.07 -1.89 -0.69 114.58 115.09 1wpg h GLU 895 Ca -0.00 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1wpg h GLU 895 Cb 0.61 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.58 1wpg h GLU 895 CO 0.01 -0.28 0.39 -1.00 -1.40 0.00 0.00 179.01 176.73 1wpg h PRO 896 N -0.43 0.76 -0.15 2.33 0.13 -1.89 -0.87 132.00 131.88 1wpg h PRO 896 Ca -0.01 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1wpg h PRO 896 Cb 0.39 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1wpg h PRO 896 CO -0.02 0.51 0.03 0.52 -0.23 0.00 0.00 178.00 178.80 1wpg h MET 897 N 0.79 0.24 -0.78 0.86 2.86 -1.71 -1.81 114.93 115.38 1wpg h MET 897 Ca 0.24 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.92 1wpg h MET 897 Cb -0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1wpg h MET 897 CO -0.08 0.42 0.51 1.15 1.06 0.00 0.00 176.91 179.98 1wpg h THR 898 N 0.03 0.91 -0.11 2.22 2.02 -0.92 0.67 112.91 117.72 1wpg h THR 898 Ca 0.05 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1wpg h THR 898 Cb 0.30 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1wpg h THR 898 CO 0.00 0.12 0.05 0.24 0.37 0.00 0.00 175.52 176.30 1wpg h MET 899 N 0.65 0.16 -0.22 6.66 2.86 -0.69 -1.61 114.93 122.74 1wpg h MET 899 Ca 0.37 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1wpg h MET 899 Cb 0.54 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1wpg h MET 899 CO -0.14 0.25 0.11 0.00 1.06 0.00 0.00 176.91 178.20 1wpg h ALA 900 N 0.90 0.29 -0.76 6.32 0.00 -0.34 -2.50 119.26 123.17 1wpg h ALA 900 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1wpg h ALA 900 Cb 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1wpg h ALA 900 CO -0.00 -0.16 0.49 1.25 0.00 0.00 0.00 179.25 180.83 1wpg h LEU 901 N 0.23 0.83 -1.70 0.00 5.85 -0.89 -0.97 115.31 118.66 1wpg h LEU 901 Ca 0.08 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1wpg h LEU 901 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1wpg h LEU 901 CO -0.01 0.59 -0.18 0.28 -0.34 0.00 0.00 178.44 178.78 1wpg h SER 902 N 0.99 0.00 -0.04 1.25 0.02 -1.16 0.15 113.55 114.76 1wpg h SER 902 Ca 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1wpg h SER 902 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1wpg h SER 902 CO -0.09 0.18 -0.19 0.58 -1.14 0.00 0.00 176.83 176.18 1wpg h VAL 903 N 0.00 1.48 0.52 2.27 2.07 -0.79 -1.84 116.25 119.96 1wpg h VAL 903 Ca -0.00 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1wpg h VAL 903 Cb 0.38 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1wpg h VAL 903 CO 0.02 0.46 -0.37 0.25 0.02 0.00 0.00 177.57 177.96 1wpg h LEU 904 N -0.38 -0.96 -0.26 2.57 5.85 -0.82 0.19 115.31 121.48 1wpg h LEU 904 Ca -0.01 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1wpg h LEU 904 Cb 0.86 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 1wpg h LEU 904 CO 0.04 -0.56 -0.25 0.58 -0.34 0.00 0.00 178.44 177.91 1wpg h VAL 905 N -0.87 0.38 -0.90 1.05 2.07 -1.07 0.57 116.25 117.48 1wpg h VAL 905 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1wpg h VAL 905 Cb 0.73 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1wpg h VAL 905 CO 0.03 0.00 0.58 0.74 0.02 0.00 0.00 177.57 178.94 1wpg h THR 906 N -0.24 1.24 -0.67 2.57 2.02 -1.16 -0.56 112.91 116.10 1wpg h THR 906 Ca 0.14 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1wpg h THR 906 Cb 0.46 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1wpg h THR 906 CO -0.40 0.24 0.12 0.40 0.37 0.00 0.00 175.52 176.24 1wpg h ILE 907 N 1.23 1.26 -0.40 3.11 2.04 0.34 -2.48 117.51 122.61 1wpg h ILE 907 Ca 0.33 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1wpg h ILE 907 Cb -0.11 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1wpg h ILE 907 CO -0.07 0.38 -0.13 -0.33 0.00 0.00 0.00 178.15 178.00 1wpg h GLU 908 N 1.02 0.79 0.00 2.37 4.39 -0.28 0.27 114.58 123.14 1wpg h GLU 908 Ca 0.20 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1wpg h GLU 908 Cb 0.42 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1wpg h GLU 908 CO 0.01 0.94 -0.05 0.52 -1.16 0.00 0.00 179.01 179.27 1wpg h MET 909 N 0.60 0.00 0.00 2.33 2.86 -1.00 0.75 114.93 120.46 1wpg h MET 909 Ca 0.10 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.46 1wpg h MET 909 Cb 0.67 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1wpg h MET 909 CO 0.05 0.05 -1.58 0.00 1.06 0.00 0.00 176.91 176.49 1wpg n ASN 911 N -3.09 0.01 -0.01 0.00 5.15 0.93 -2.86 115.26 115.39 1wpg n ASN 911 Ca -0.14 0.50 -0.17 0.00 -0.60 0.00 0.00 54.58 54.18 1wpg n ASN 911 Cb 1.03 -0.51 -0.11 0.00 -0.53 0.00 0.00 39.78 39.66 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 2.89 0.09 0.00 5.20 0.00 -0.96 -2.73 119.26 123.75 1wpg h ALA 912 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1wpg h ALA 912 Cb 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wpg h ALA 912 CO 0.00 0.30 -0.18 -0.07 0.00 0.00 0.00 179.25 179.31 1wpg h LEU 913 N -0.13 0.00 -0.26 0.00 3.38 -1.64 0.98 115.31 117.64 1wpg h LEU 913 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wpg h LEU 913 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wpg h LEU 913 CO 0.10 0.18 0.00 0.59 0.09 0.00 0.00 178.44 179.40 1wpg n ASN 914 N -4.07 0.47 -0.53 -0.43 5.03 -1.13 -2.60 115.26 111.99 1wpg n ASN 914 Ca -0.02 0.58 0.12 0.00 0.87 0.00 0.00 54.58 56.13 1wpg n ASN 914 Cb 0.25 -0.69 0.17 0.00 -1.02 0.00 0.00 39.78 38.49 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 1.93 0.25 6.41 7.64 0.33 -4.14 113.62 124.06 1wpg n SER 915 Ca 0.04 -1.47 0.17 0.00 1.01 0.00 0.00 58.87 58.62 1wpg n SER 915 Cb 0.29 0.24 0.78 0.00 -1.01 0.00 0.00 64.21 64.50 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 2.62 0.00 -7.00 -3.43 3.38 -1.40 -3.44 115.31 106.04 1wpg h LEU 916 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wpg h LEU 916 Cb 0.72 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.27 1wpg h LEU 916 CO 0.00 0.00 0.24 -0.55 0.09 0.00 0.00 178.44 178.22 1wpg s SER 917 N -5.06 -0.63 -0.02 -0.43 0.15 -1.26 -4.99 113.70 101.47 1wpg s SER 917 Ca -0.00 0.80 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 1wpg s SER 917 Cb 0.10 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1wpg s SER 917 CO 0.44 -0.50 0.47 -0.08 1.20 0.00 0.00 173.24 174.77 1wpg h GLU 918 N 3.32 -0.24 -0.54 5.44 4.81 -1.84 -3.39 114.58 122.13 1wpg h GLU 918 Ca -0.26 0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.66 1wpg h GLU 918 Cb 1.15 0.06 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 1wpg h GLU 918 CO 0.31 -0.16 -0.02 0.09 -0.73 0.00 0.00 179.01 178.50 1wpg n ASN 919 N -3.57 3.52 -4.16 1.04 3.02 -1.26 -4.94 115.26 108.92 1wpg n ASN 919 Ca -0.03 -3.78 -0.32 0.00 -0.03 0.00 0.00 54.58 50.42 1wpg n ASN 919 Cb 0.10 -0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 38.45 1wpg n ASN 919 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1wpg s GLN 920 N -3.38 2.94 0.72 3.52 -1.52 -1.26 -4.86 119.66 115.82 1wpg s GLN 920 Ca 0.49 -0.83 -0.16 0.00 -1.95 0.00 0.00 55.36 52.92 1wpg s GLN 920 Cb 0.43 -2.39 0.03 0.00 -0.22 0.00 0.00 33.01 30.86 1wpg s GLN 920 CO 0.01 -0.03 1.23 -1.12 -0.25 0.00 0.00 175.29 175.13 1wpg s SER 921 N 0.86 4.20 0.00 5.90 0.01 -1.26 -4.74 113.70 118.67 1wpg s SER 921 Ca -0.06 2.43 0.08 0.00 1.31 0.00 0.00 55.95 59.70 1wpg s SER 921 Cb -0.15 -2.60 0.38 0.00 0.21 0.00 0.00 66.02 63.86 1wpg s SER 921 CO -0.03 -2.26 1.12 0.18 0.41 0.00 0.00 173.24 172.66 1wpg n LEU 922 N -2.60 0.00 -0.03 2.44 4.32 -1.26 -1.50 117.00 118.38 1wpg n LEU 922 Ca 0.14 0.31 -0.20 0.00 -0.02 0.00 0.00 56.01 56.24 1wpg n LEU 922 Cb 0.50 -0.31 -0.14 0.00 -1.62 0.00 0.00 43.42 41.85 1wpg n LEU 922 CO 0.47 -0.23 -0.92 0.23 -1.22 0.00 0.00 177.39 175.72 1wpg n MET 923 N -1.31 0.73 0.26 3.23 2.81 -1.26 -2.30 117.12 119.29 1wpg n MET 923 Ca 0.03 0.24 0.16 0.00 -1.81 0.00 0.00 57.70 56.32 1wpg n MET 923 Cb 0.06 -1.67 0.56 0.00 -0.71 0.00 0.00 33.22 31.46 1wpg n MET 923 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wpg h ARG 924 N 0.05 0.00 -1.79 0.03 2.47 -1.63 -3.36 114.38 110.15 1wpg h ARG 924 Ca -0.45 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 57.90 1wpg h ARG 924 Cb 2.01 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 30.04 1wpg h ARG 924 CO 0.05 0.01 -0.71 1.41 0.56 0.00 0.00 179.97 181.29 1wpg s MET 925 N -3.56 0.82 0.68 0.04 1.75 -0.56 -4.98 119.30 113.49 1wpg s MET 925 Ca 0.02 -1.22 -0.17 0.00 -1.25 0.00 0.00 55.69 53.08 1wpg s MET 925 Cb 0.08 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 36.99 1wpg s MET 925 CO 0.57 -1.28 0.64 -0.35 -0.65 0.00 0.00 175.02 173.95 1wpg n PRO 926 N 3.58 0.44 -0.03 4.11 -0.04 -0.97 -4.40 135.00 137.68 1wpg n PRO 926 Ca 0.18 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1wpg n PRO 926 Cb 0.49 -1.90 0.36 0.00 -0.04 0.00 0.00 33.50 32.42 1wpg n PRO 926 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1wpg h PRO 927 N -0.14 0.60 0.00 0.54 0.11 -1.94 -2.76 132.00 128.42 1wpg h PRO 927 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wpg h PRO 927 Cb 1.36 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wpg h PRO 927 CO 0.45 0.46 0.00 -2.67 -0.21 0.00 0.00 178.00 176.03 1wpg n TRP 928 N -4.41 0.00 -0.09 0.65 2.14 -1.26 -2.72 117.44 111.74 1wpg n TRP 928 Ca 0.03 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.47 1wpg n TRP 928 Cb 0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.57 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 0.00 1.29 -3.56 -1.67 2.07 -1.85 -3.36 116.25 109.18 1wpg h VAL 929 Ca 0.00 -1.57 -0.71 0.00 0.82 0.00 0.00 66.70 65.23 1wpg h VAL 929 Cb 0.00 1.57 -0.34 0.00 -1.52 0.00 0.00 31.29 31.00 1wpg h VAL 929 CO 0.00 0.51 -0.23 0.21 0.02 0.00 0.00 177.57 178.08 1wpg s ASN 930 N -6.74 5.63 0.59 0.57 3.84 -1.10 -4.91 114.94 112.82 1wpg s ASN 930 Ca -0.12 -3.01 0.29 0.00 0.21 0.00 0.00 52.86 50.23 1wpg s ASN 930 Cb 0.10 -1.92 1.55 0.00 -0.55 0.00 0.00 41.25 40.42 1wpg s ASN 930 CO 0.86 -0.36 1.98 0.40 -2.79 0.00 0.00 177.10 177.19 1wpg h ILE 931 N 4.94 0.42 -0.35 -5.21 1.08 -1.82 -0.33 117.51 116.25 1wpg h ILE 931 Ca 0.04 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.37 1wpg h ILE 931 Cb 0.94 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1wpg h ILE 931 CO 0.75 0.00 -0.34 -0.50 -0.69 0.00 0.00 178.15 177.36 1wpg h TRP 932 N 0.00 0.93 -0.16 1.37 4.06 -1.91 -2.19 115.95 118.05 1wpg h TRP 932 Ca 0.16 -0.26 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 1wpg h TRP 932 Cb 0.88 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 1wpg h TRP 932 CO 0.00 1.02 0.10 1.25 -3.56 0.00 0.00 178.44 177.24 1wpg h LEU 933 N 0.66 0.19 0.09 -4.49 5.85 -1.28 0.15 115.31 116.47 1wpg h LEU 933 Ca 0.07 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wpg h LEU 933 Cb 0.89 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1wpg h LEU 933 CO 0.08 0.18 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.23 1wpg h LEU 934 N 0.19 -0.15 -2.42 2.25 3.38 -1.51 0.09 115.31 117.14 1wpg h LEU 934 Ca 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wpg h LEU 934 Cb 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wpg h LEU 934 CO -0.01 -0.10 -0.03 1.23 0.09 0.00 0.00 178.44 179.62 1wpg h GLY 935 N -0.15 0.00 0.64 0.83 0.00 -1.23 -1.91 103.07 101.25 1wpg h GLY 935 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1wpg h GLY 935 CO 0.01 0.00 -0.30 0.23 0.00 0.00 0.00 176.54 176.47 1wpg h SER 936 N 0.00 0.36 -0.79 0.19 0.87 0.62 -2.87 113.55 111.93 1wpg h SER 936 Ca -0.00 -0.67 -0.02 0.00 -1.23 0.00 0.00 61.79 59.87 1wpg h SER 936 Cb 0.09 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1wpg h SER 936 CO 0.00 0.97 0.42 0.40 -0.53 0.00 0.00 176.83 178.09 1wpg h ILE 937 N -0.23 1.24 -0.77 2.23 2.04 -0.29 -1.96 117.51 119.77 1wpg h ILE 937 Ca -0.02 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1wpg h ILE 937 Cb 0.97 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1wpg h ILE 937 CO 0.06 0.28 0.28 0.00 0.00 0.00 0.00 178.15 178.77 1wpg h LEU 939 N 1.14 0.00 0.00 0.00 5.85 -1.19 -2.28 115.31 118.82 1wpg h LEU 939 Ca 0.26 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1wpg h LEU 939 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1wpg h LEU 939 CO -0.02 0.00 -0.48 0.28 -0.34 0.00 0.00 178.44 177.88 1wpg h SER 940 N 0.00 0.00 -0.96 1.25 0.02 -0.52 -3.09 113.55 110.25 1wpg h SER 940 Ca 0.00 -0.67 0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1wpg h SER 940 Cb 0.46 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 1wpg h SER 940 CO 0.00 1.12 0.62 0.24 -1.14 0.00 0.00 176.83 177.67 1wpg h MET 941 N -1.00 1.14 -0.71 3.45 2.86 -1.10 0.11 114.93 119.67 1wpg h MET 941 Ca -0.13 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1wpg h MET 941 Cb 0.99 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1wpg h MET 941 CO -0.08 0.75 0.38 0.66 1.06 0.00 0.00 176.91 179.69 1wpg h SER 942 N 1.17 0.89 0.93 1.22 4.64 -1.56 0.54 113.55 121.38 1wpg h SER 942 Ca 0.40 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1wpg h SER 942 Cb 0.08 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1wpg h SER 942 CO -0.15 0.74 0.00 -0.07 -0.87 0.00 0.00 176.83 176.48 1wpg h LEU 943 N 0.98 0.00 0.01 5.97 3.38 -1.15 -0.87 115.31 123.63 1wpg h LEU 943 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1wpg h LEU 943 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wpg h LEU 943 CO -0.04 0.00 -0.00 -0.74 0.09 0.00 0.00 178.44 177.75 1wpg h HIS 944 N 0.00 -0.01 0.00 1.13 2.76 0.12 -3.22 115.15 115.94 1wpg h HIS 944 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1wpg h HIS 944 Cb 0.46 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 1wpg h HIS 944 CO 0.00 0.80 -0.14 0.74 -1.30 0.00 0.00 177.93 178.03 1wpg h PHE 945 N -0.95 0.00 -0.11 5.26 0.04 -0.90 -1.66 116.94 118.60 1wpg h PHE 945 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1wpg h PHE 945 Cb 0.82 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1wpg h PHE 945 CO 0.22 0.14 -0.01 1.25 -0.60 0.00 0.00 178.31 179.31 1wpg h LEU 946 N 0.00 0.14 0.00 1.54 5.85 -1.19 -1.16 115.31 120.50 1wpg h LEU 946 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wpg h LEU 946 Cb 0.31 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1wpg h LEU 946 CO 0.02 0.19 -0.35 -0.38 -0.34 0.00 0.00 178.44 177.58 1wpg n ILE 947 N -4.43 0.42 1.00 4.05 5.41 -0.64 -2.76 119.36 122.42 1wpg n ILE 947 Ca -0.01 -0.25 0.10 0.00 1.00 0.00 0.00 62.75 63.59 1wpg n ILE 947 Cb 0.15 -0.30 -0.08 0.00 -0.71 0.00 0.00 39.64 38.70 1wpg n ILE 947 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wpg n LEU 948 N -2.11 0.96 -0.01 1.39 4.77 -0.51 -3.01 117.00 118.48 1wpg n LEU 948 Ca 0.04 -0.45 -0.01 0.00 -0.03 0.00 0.00 56.01 55.56 1wpg n LEU 948 Cb 0.43 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1wpg n LEU 948 CO 0.34 0.24 -0.54 -1.22 -1.33 0.00 0.00 177.39 174.88 1wpg n TYR 949 N -1.48 0.00 -1.69 -1.77 4.02 -0.75 -3.69 117.16 111.80 1wpg n TYR 949 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.74 1wpg n TYR 949 Cb 0.33 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.55 1wpg n TYR 949 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wpg s VAL 950 N -2.02 3.12 0.08 -0.72 1.01 -1.11 -4.82 120.40 115.93 1wpg s VAL 950 Ca -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1wpg s VAL 950 Cb 0.01 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.22 1wpg s VAL 950 CO 0.02 -0.26 0.47 0.47 0.00 0.00 0.00 175.10 175.80 1wpg n ASP 951 N 17.25 -0.15 0.00 3.32 8.00 -1.26 0.23 116.55 143.95 1wpg n ASP 951 Ca 0.44 0.52 0.01 0.00 0.71 0.00 0.00 54.79 56.47 1wpg n ASP 951 Cb 0.45 -0.14 0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1wpg n ASP 951 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wpg n PRO 952 N -4.47 0.12 -0.03 -0.24 -0.04 -1.26 -3.26 135.00 125.81 1wpg n PRO 952 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1wpg n PRO 952 Cb 0.14 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1wpg n PRO 952 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wpg n LEU 953 N -0.73 1.02 -0.14 1.53 4.77 0.14 -4.58 117.00 119.01 1wpg n LEU 953 Ca 0.01 0.16 0.28 0.00 -0.03 0.00 0.00 56.01 56.44 1wpg n LEU 953 Cb 0.01 -0.38 0.65 0.00 -2.33 0.00 0.00 43.42 41.36 1wpg n LEU 953 CO 0.01 -0.12 1.26 -0.65 -1.33 0.00 0.00 177.39 176.55 1wpg h PRO 954 N -0.37 0.00 -0.01 3.23 0.11 -1.52 0.16 132.00 133.61 1wpg h PRO 954 Ca -0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1wpg h PRO 954 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1wpg h PRO 954 CO -0.09 0.00 -0.01 1.98 -0.21 0.00 0.00 178.00 179.67 1wpg h MET 955 N 0.00 0.02 0.00 1.05 4.05 -1.82 0.29 114.93 118.52 1wpg h MET 955 Ca 0.42 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.77 1wpg h MET 955 Cb 2.11 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.90 1wpg h MET 955 CO -0.00 0.56 -0.28 -0.84 0.23 0.00 0.00 176.91 176.58 1wpg h ILE 956 N -0.52 0.69 -0.01 1.77 3.07 -1.25 -3.01 117.51 118.24 1wpg h ILE 956 Ca 0.00 -1.24 0.00 0.00 1.55 0.00 0.00 64.86 65.17 1wpg h ILE 956 Cb 0.56 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 1wpg h ILE 956 CO 0.00 0.27 -0.54 0.49 -1.05 0.00 0.00 178.15 177.32 1wpg n PHE 957 N -3.47 0.00 -3.62 0.16 3.01 -0.63 -4.99 117.46 107.91 1wpg n PHE 957 Ca -0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1wpg n PHE 957 Cb 0.45 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.96 1wpg n PHE 957 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wpg n LYS 958 N -0.21 -4.68 -4.36 -1.08 5.02 0.86 -4.84 118.16 108.87 1wpg n LYS 958 Ca 0.08 0.66 -0.19 0.00 -2.02 0.00 0.00 58.31 56.85 1wpg n LYS 958 Cb 0.45 -5.25 -0.10 0.00 -0.02 0.00 0.00 35.03 30.11 1wpg n LYS 958 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wpg s LEU 959 N -6.51 2.56 -0.16 -0.35 1.43 -0.17 -4.62 118.68 110.85 1wpg s LEU 959 Ca 0.07 -1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 1wpg s LEU 959 Cb -0.02 -0.70 0.05 0.00 0.03 0.00 0.00 46.19 45.55 1wpg s LEU 959 CO 0.80 -0.16 0.42 -0.75 0.23 0.00 0.00 176.35 176.89 1wpg s LYS 960 N -3.64 0.45 0.92 1.70 2.20 -1.26 -4.63 119.74 115.49 1wpg s LYS 960 Ca 0.23 0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 56.37 1wpg s LYS 960 Cb -0.01 0.12 -0.14 0.00 -1.51 0.00 0.00 37.83 36.29 1wpg s LYS 960 CO 0.08 -0.11 -0.74 0.00 -0.36 0.00 0.00 175.35 174.22 1wpg n ALA 961 N 3.52 -5.24 -2.43 3.13 0.00 -1.24 -4.77 120.51 113.47 1wpg n ALA 961 Ca -0.18 -0.62 -0.22 0.00 0.00 0.00 0.00 53.44 52.42 1wpg n ALA 961 Cb 0.56 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1wpg n ALA 961 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wpg s LEU 962 N 7.40 2.55 0.00 0.00 1.43 -1.26 -4.96 118.68 123.83 1wpg s LEU 962 Ca 0.38 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1wpg s LEU 962 Cb -0.18 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.34 1wpg s LEU 962 CO 0.77 -0.23 0.37 0.47 0.23 0.00 0.00 176.35 177.95 1wpg n ASP 963 N -0.57 0.19 0.13 2.29 8.00 -1.26 -4.86 116.55 120.47 1wpg n ASP 963 Ca -0.06 -1.23 0.12 0.00 0.71 0.00 0.00 54.79 54.33 1wpg n ASP 963 Cb 0.62 -0.26 0.17 0.00 -0.02 0.00 0.00 41.12 41.63 1wpg n ASP 963 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1wpg h LEU 964 N 0.00 0.00 0.15 0.64 7.12 -2.01 -2.17 115.31 119.04 1wpg h LEU 964 Ca -0.12 -0.05 -0.34 0.00 0.13 0.00 0.00 57.88 57.50 1wpg h LEU 964 Cb 0.37 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1wpg h LEU 964 CO 0.10 0.02 -1.74 0.74 -0.13 0.00 0.00 178.44 177.43 1wpg h THR 965 N 0.00 0.93 0.29 1.05 2.02 -1.99 -2.90 112.91 112.31 1wpg h THR 965 Ca 0.00 -2.56 -0.01 0.00 0.77 0.00 0.00 66.41 64.61 1wpg h THR 965 Cb 0.90 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1wpg h THR 965 CO 0.00 0.84 -0.14 1.56 0.37 0.00 0.00 175.52 178.15 1wpg h GLN 966 N 0.09 -0.38 -0.81 6.66 1.08 -1.90 -2.72 115.11 117.13 1wpg h GLN 966 Ca -0.33 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 56.93 1wpg h GLN 966 Cb 2.07 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 29.53 1wpg h GLN 966 CO 0.15 -0.17 0.51 -1.49 -0.95 0.00 0.00 178.83 176.88 1wpg h TRP 967 N -0.50 0.95 -0.85 2.96 -0.00 -1.53 -1.87 115.95 115.11 1wpg h TRP 967 Ca -0.04 0.03 0.12 0.00 -0.00 0.00 0.00 58.89 59.00 1wpg h TRP 967 Cb 0.37 -0.31 -0.09 0.00 -0.00 0.00 0.00 29.16 29.14 1wpg h TRP 967 CO -0.03 0.53 0.46 1.25 -0.00 0.00 0.00 178.44 180.66 1wpg h LEU 968 N 0.98 0.61 -0.86 -4.49 5.85 -1.39 -0.19 115.31 115.82 1wpg h LEU 968 Ca 0.33 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 1wpg h LEU 968 Cb 0.06 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1wpg h LEU 968 CO -0.13 0.30 0.48 -0.03 -0.34 0.00 0.00 178.44 178.72 1wpg h MET 969 N 0.71 1.20 0.23 1.25 4.05 -1.03 -1.25 114.93 120.09 1wpg h MET 969 Ca 0.44 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 1wpg h MET 969 Cb 0.53 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1wpg h MET 969 CO -0.31 0.87 -0.11 0.28 0.23 0.00 0.00 176.91 177.87 1wpg h VAL 970 N 1.20 0.83 0.00 -5.77 2.07 -0.80 -2.25 116.25 111.53 1wpg h VAL 970 Ca 0.31 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1wpg h VAL 970 Cb 0.02 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wpg h VAL 970 CO -0.05 0.07 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 1wpg h LEU 971 N -0.48 0.00 0.00 2.57 3.38 -1.03 0.14 115.31 119.88 1wpg h LEU 971 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1wpg h LEU 971 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wpg h LEU 971 CO 0.05 0.00 -1.15 0.11 0.09 0.00 0.00 178.44 177.54 1wpg h LYS 972 N 0.00 0.00 0.00 1.13 1.79 -0.84 -3.03 116.57 115.62 1wpg h LYS 972 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wpg h LYS 972 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1wpg h LYS 972 CO 0.00 0.30 -1.57 1.51 -1.08 0.00 0.00 179.45 178.60 1wpg n ILE 973 N -2.94 0.00 -0.10 1.86 3.06 -0.71 -4.50 119.36 116.04 1wpg n ILE 973 Ca -0.06 -0.33 -0.15 0.00 -2.50 0.00 0.00 62.75 59.72 1wpg n ILE 973 Cb 0.78 0.32 -0.06 0.00 0.54 0.00 0.00 39.64 41.22 1wpg n ILE 973 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1wpg n SER 974 N -1.95 1.87 -0.33 9.51 7.64 0.40 -4.49 113.62 126.28 1wpg n SER 974 Ca -0.02 0.47 0.25 0.00 1.01 0.00 0.00 58.87 60.58 1wpg n SER 974 Cb 0.42 -0.86 0.49 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.00 0.42 0.00 -3.43 -0.00 -1.73 0.32 115.31 109.89 1wpg h LEU 975 Ca -0.22 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1wpg h LEU 975 Cb 1.01 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1wpg h LEU 975 CO -0.13 -0.22 0.00 -0.81 -0.00 0.00 0.00 178.44 177.28 1wpg n PRO 976 N -5.12 0.11 0.06 1.13 -0.04 -1.26 -2.07 135.00 127.81 1wpg n PRO 976 Ca 0.33 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1wpg n PRO 976 Cb 1.05 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 33.21 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 1.29 -0.55 0.52 3.04 -0.62 -2.60 116.25 117.34 1wpg h VAL 977 Ca 0.00 -1.42 -0.03 0.00 -1.01 0.00 0.00 66.70 64.24 1wpg h VAL 977 Cb 0.04 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1wpg h VAL 977 CO 0.00 0.44 0.23 0.40 -1.01 0.00 0.00 177.57 177.63 1wpg h ILE 978 N 0.31 1.21 -0.35 3.17 2.04 -1.61 -2.37 117.51 119.92 1wpg h ILE 978 Ca 0.04 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1wpg h ILE 978 Cb 0.77 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1wpg h ILE 978 CO 0.06 0.25 0.22 1.23 0.00 0.00 0.00 178.15 179.92 1wpg h GLY 979 N 0.74 0.50 0.46 5.37 0.00 -1.65 -0.73 103.07 107.77 1wpg h GLY 979 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1wpg h GLY 979 CO -0.02 0.19 -0.23 -2.00 0.00 0.00 0.00 176.54 174.48 1wpg h LEU 980 N 0.47 -0.69 -0.67 3.11 5.85 -1.19 -1.57 115.31 120.61 1wpg h LEU 980 Ca 0.13 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1wpg h LEU 980 Cb -0.02 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1wpg h LEU 980 CO -0.03 -0.30 0.17 -0.78 -0.34 0.00 0.00 178.44 177.16 1wpg h ASP 981 N -0.37 1.02 0.03 1.25 3.58 -1.36 -1.25 116.42 119.33 1wpg h ASP 981 Ca 0.06 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 1wpg h ASP 981 Cb 0.45 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1wpg h ASP 981 CO -0.21 0.99 -0.01 -0.08 -2.88 0.00 0.00 179.24 177.04 1wpg h GLU 982 N 1.01 0.00 0.11 0.28 4.57 -0.78 -1.78 114.58 117.98 1wpg h GLU 982 Ca 0.21 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.18 1wpg h GLU 982 Cb 0.36 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1wpg h GLU 982 CO 0.00 0.01 -1.02 0.82 -1.18 0.00 0.00 179.01 177.65 1wpg h ILE 983 N 0.00 1.30 -0.81 2.32 1.08 -0.56 -3.22 117.51 117.62 1wpg h ILE 983 Ca -0.00 -2.44 0.08 0.00 -0.39 0.00 0.00 64.86 62.11 1wpg h ILE 983 Cb 0.03 2.95 -0.05 0.00 -3.07 0.00 0.00 36.82 36.68 1wpg h ILE 983 CO 0.00 0.67 0.53 -0.07 -0.69 0.00 0.00 178.15 178.59 1wpg h LEU 984 N -0.45 0.73 -0.18 1.44 3.38 -0.68 -1.19 115.31 118.37 1wpg h LEU 984 Ca -0.21 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1wpg h LEU 984 Cb 1.61 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1wpg h LEU 984 CO 0.07 0.45 0.07 0.11 0.09 0.00 0.00 178.44 179.24 1wpg h LYS 985 N 0.82 0.27 -0.68 1.13 1.57 -1.46 -2.78 116.57 115.44 1wpg h LYS 985 Ca 0.36 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 1wpg h LYS 985 Cb 0.34 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1wpg h LYS 985 CO -0.14 0.34 0.33 0.35 -0.57 0.00 0.00 179.45 179.76 1wpg h PHE 986 N 0.14 0.59 0.00 -1.35 3.57 -1.29 0.77 116.94 119.36 1wpg h PHE 986 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wpg h PHE 986 Cb 0.17 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1wpg h PHE 986 CO -0.01 0.21 0.28 0.82 -2.23 0.00 0.00 178.31 177.38 1wpg h ILE 987 N 0.57 0.00 0.00 1.41 2.04 -0.97 -1.21 117.51 119.35 1wpg h ILE 987 Ca 0.33 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.11 1wpg h ILE 987 Cb 0.35 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1wpg h ILE 987 CO -0.26 0.00 -1.30 0.00 0.00 0.00 0.00 178.15 176.59 1wpg n ALA 988 N -1.91 1.95 0.23 1.87 0.00 -0.28 -3.14 120.51 119.23 1wpg n ALA 988 Ca -0.02 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1wpg n ALA 988 Cb 0.33 0.38 0.55 0.00 0.00 0.00 0.00 19.45 20.72 1wpg n ALA 988 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wpg n ARG 989 N -2.70 0.15 0.00 0.00 0.63 0.25 -1.49 116.66 113.51 1wpg n ARG 989 Ca -0.09 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1wpg n ARG 989 Cb 0.60 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1wpg n ARG 989 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wpg n ASN 990 N -2.24 0.38 0.00 6.15 3.02 -0.48 -4.07 115.26 118.02 1wpg n ASN 990 Ca -0.00 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1wpg n ASN 990 Cb 0.09 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1wpg n ASN 990 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wpg n TYR 991 N -0.08 0.00 0.00 3.10 4.02 -1.07 -4.84 117.16 118.29 1wpg n TYR 991 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1wpg n TYR 991 Cb 0.11 0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 1wpg n TYR 991 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1wpg n LEU 992 N -2.10 0.00 -3.40 7.72 7.94 -1.07 -4.42 117.00 121.68 1wpg n LEU 992 Ca 0.00 0.54 -0.26 0.00 -1.11 0.00 0.00 56.01 55.18 1wpg n LEU 992 Cb 0.00 -0.04 -0.09 0.00 0.53 0.00 0.00 43.42 43.82 1wpg n LEU 992 CO 0.00 -0.04 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.42 1wpg n GLU 993 N -0.93 1.06 0.00 1.96 1.02 -0.55 -5.05 120.64 118.15 1wpg n GLU 993 Ca 0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 1wpg n GLU 993 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1wpg n GLU 993 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72