#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2weh s HIS 4 N 0.00 2.21 0.58 1.57 4.02 -1.26 -5.02 115.29 117.39 2weh s HIS 4 Ca 0.00 -0.21 -0.20 0.00 1.02 0.00 0.00 55.06 55.67 2weh s HIS 4 Cb 0.00 -2.77 -0.04 0.00 -1.02 0.00 0.00 32.58 28.76 2weh s HIS 4 CO 0.00 -1.20 1.27 1.67 1.02 0.00 0.00 174.74 177.50 2weh s TRP 5 N -2.88 2.31 0.00 1.40 1.48 -1.26 -4.86 118.94 115.14 2weh s TRP 5 Ca 0.61 1.47 0.00 0.00 -1.06 0.00 0.00 56.10 57.12 2weh s TRP 5 Cb -0.08 -3.63 0.00 0.00 -1.16 0.00 0.00 33.47 28.60 2weh s TRP 5 CO 0.40 -2.55 0.00 0.41 -4.06 0.00 0.00 176.95 171.15 2weh n GLY 6 N 0.68 4.04 0.14 3.67 0.00 0.65 -5.03 105.19 109.35 2weh n GLY 6 Ca 0.13 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2weh n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2weh n TYR 7 N 0.00 0.00 -2.17 1.61 4.01 -1.26 -3.88 117.16 115.47 2weh n TYR 7 Ca 0.00 -0.46 -0.28 0.00 -0.16 0.00 0.00 57.90 57.00 2weh n TYR 7 Cb 0.00 -0.07 0.17 0.00 -0.31 0.00 0.00 39.34 39.12 2weh n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2weh s GLY 8 N -1.46 1.79 0.54 2.72 0.00 -1.26 -4.68 107.32 104.97 2weh s GLY 8 Ca 0.11 -1.46 0.24 0.00 0.00 0.00 0.00 44.72 43.60 2weh s GLY 8 CO 0.01 -0.73 2.17 1.70 0.00 0.00 0.00 173.10 176.25 2weh h LYS 9 N -1.32 0.00 0.00 2.90 1.63 -1.98 -0.13 116.57 117.68 2weh h LYS 9 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2weh h LYS 9 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2weh h LYS 9 CO 0.36 0.04 -1.12 0.72 -3.45 0.00 0.00 179.45 176.00 2weh n HIS 10 N -4.07 0.00 -1.56 1.91 8.25 -1.26 -4.53 115.22 113.96 2weh n HIS 10 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.44 2weh n HIS 10 Cb 0.12 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2weh n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2weh n ASN 11 N -1.63 0.32 -3.02 0.41 6.94 -1.19 -4.95 115.26 112.15 2weh n ASN 11 Ca 0.01 -1.84 -0.15 0.00 -0.02 0.00 0.00 54.58 52.58 2weh n ASN 11 Cb 0.33 -0.16 0.10 0.00 -2.36 0.00 0.00 39.78 37.69 2weh n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2weh n GLY 12 N -0.16 -1.17 0.46 4.83 0.00 -0.07 -0.25 105.19 108.83 2weh n GLY 12 Ca 0.02 -1.71 0.30 0.00 0.00 0.00 0.00 46.02 44.62 2weh n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2weh h PRO 13 N 0.00 0.20 0.00 1.61 0.11 -1.85 0.72 132.00 132.80 2weh h PRO 13 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2weh h PRO 13 Cb 0.62 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2weh h PRO 13 CO 0.16 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.24 2weh n GLU 14 N -4.50 0.21 0.01 1.05 0.00 -1.26 -2.68 120.64 113.47 2weh n GLU 14 Ca 0.29 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.63 2weh n GLU 14 Cb 1.14 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.96 2weh n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2weh n HIS 15 N -1.37 0.19 0.15 -1.84 8.25 0.24 -4.66 115.22 116.17 2weh n HIS 15 Ca 0.09 0.06 0.05 0.00 -0.26 0.00 0.00 57.72 57.65 2weh n HIS 15 Cb 0.23 -0.54 0.48 0.00 1.12 0.00 0.00 29.99 31.27 2weh n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2weh h TRP 16 N 0.00 0.21 -0.22 4.41 6.55 -1.46 -2.48 115.95 122.97 2weh h TRP 16 Ca 0.00 -0.01 0.06 0.00 0.95 0.00 0.00 58.89 59.89 2weh h TRP 16 Cb 0.95 -0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 29.17 2weh h TRP 16 CO 0.00 0.24 0.19 1.12 -1.05 0.00 0.00 178.44 178.94 2weh h HIS 17 N 0.21 0.00 -0.48 0.49 2.07 -1.79 0.14 115.15 115.79 2weh h HIS 17 Ca 0.05 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.55 2weh h HIS 17 Cb 0.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 2weh h HIS 17 CO 0.00 0.00 0.23 0.87 -3.07 0.00 0.00 177.93 175.96 2weh h LYS 18 N 0.00 0.69 0.00 5.12 1.57 -1.79 -2.47 116.57 119.69 2weh h LYS 18 Ca 0.10 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2weh h LYS 18 Cb 0.48 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2weh h LYS 18 CO -0.00 0.59 -1.04 -0.44 -0.57 0.00 0.00 179.45 177.98 2weh h ASP 19 N 0.63 0.00 -2.48 0.86 3.32 -1.59 -3.42 116.42 113.74 2weh h ASP 19 Ca 0.16 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.62 2weh h ASP 19 Cb 0.12 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.28 2weh h ASP 19 CO -0.02 0.20 -0.87 0.49 -1.72 0.00 0.00 179.24 177.32 2weh n PHE 20 N -2.79 0.46 0.22 4.55 3.72 0.45 -4.99 117.46 119.07 2weh n PHE 20 Ca -0.03 -3.64 0.18 0.00 -0.05 0.00 0.00 57.45 53.91 2weh n PHE 20 Cb 0.65 -0.09 0.85 0.00 -0.94 0.00 0.00 39.48 39.95 2weh n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2weh h PRO 21 N 5.26 0.00 0.00 -1.08 0.13 -1.70 0.12 132.00 134.73 2weh h PRO 21 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2weh h PRO 21 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2weh h PRO 21 CO 0.50 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.24 2weh h ILE 22 N 0.00 0.00 -0.62 -3.56 2.10 -1.91 -2.03 117.51 111.49 2weh h ILE 22 Ca 0.08 -0.07 0.18 0.00 1.08 0.00 0.00 64.86 66.13 2weh h ILE 22 Cb 0.60 0.70 -0.02 0.00 -1.09 0.00 0.00 36.82 37.00 2weh h ILE 22 CO -0.00 0.00 0.67 0.00 -1.08 0.00 0.00 178.15 177.74 2weh h ALA 23 N 2.05 2.40 -0.45 0.18 0.00 -1.07 0.85 119.26 123.23 2weh h ALA 23 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2weh h ALA 23 Cb 0.09 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 2weh h ALA 23 CO 0.00 -0.99 0.03 1.63 0.00 0.00 0.00 179.25 179.91 2weh n LYS 24 N -3.61 1.95 0.00 0.00 5.02 -0.76 -4.98 118.16 115.79 2weh n LYS 24 Ca 0.13 -3.15 0.00 0.00 -2.02 0.00 0.00 58.31 53.26 2weh n LYS 24 Cb 0.90 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2weh n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2weh n GLY 25 N -1.10 -1.03 0.05 0.72 0.00 0.29 -5.00 105.19 99.12 2weh n GLY 25 Ca 0.37 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.86 2weh n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2weh n GLU 26 N -0.61 0.21 -2.95 1.61 -0.58 -1.26 -4.46 120.64 112.60 2weh n GLU 26 Ca 0.00 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.66 2weh n GLU 26 Cb 0.00 -1.63 0.01 0.00 -0.57 0.00 0.00 31.44 29.25 2weh n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2weh n ARG 27 N -1.93 1.04 -3.26 3.49 1.85 -1.26 -4.61 116.66 111.98 2weh n ARG 27 Ca 0.04 -3.15 -0.32 0.00 -1.00 0.00 0.00 57.85 53.42 2weh n ARG 27 Cb 0.41 -1.41 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 2weh n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2weh s GLN 28 N -2.34 3.86 0.17 2.89 -1.52 -1.26 -2.81 119.66 118.66 2weh s GLN 28 Ca 0.33 0.42 0.08 0.00 -1.95 0.00 0.00 55.36 54.24 2weh s GLN 28 Cb 0.39 -2.55 -0.04 0.00 -0.22 0.00 0.00 33.01 30.59 2weh s GLN 28 CO -0.04 0.22 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.93 2weh s SER 29 N -2.44 2.65 0.92 5.90 0.01 -1.26 -4.67 113.70 114.80 2weh s SER 29 Ca 0.50 -0.89 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 2weh s SER 29 Cb -0.11 -0.15 0.11 0.00 0.21 0.00 0.00 66.02 66.08 2weh s SER 29 CO 0.21 -0.06 0.66 -0.81 0.41 0.00 0.00 173.24 173.65 2weh n PRO 30 N 0.17 -0.51 -4.10 12.44 -0.04 -1.26 -4.47 135.00 137.23 2weh n PRO 30 Ca -0.12 -1.13 -0.09 0.00 -0.04 0.00 0.00 63.50 62.12 2weh n PRO 30 Cb 0.58 -0.64 -0.10 0.00 -0.04 0.00 0.00 33.50 33.30 2weh n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2weh s VAL 31 N -2.32 0.15 0.17 0.52 -7.23 -1.26 -0.41 120.40 110.01 2weh s VAL 31 Ca 0.38 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 2weh s VAL 31 Cb -0.01 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 35.06 2weh s VAL 31 CO 0.27 -0.67 0.94 -0.62 -0.31 0.00 0.00 175.10 174.70 2weh s ASP 32 N -2.98 7.55 -0.45 4.85 2.15 -1.26 -2.95 116.67 123.57 2weh s ASP 32 Ca 0.16 1.85 -0.14 0.00 0.43 0.00 0.00 52.55 54.85 2weh s ASP 32 Cb 0.07 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.17 2weh s ASP 32 CO -0.04 0.05 0.35 -0.63 -0.17 0.00 0.00 175.17 174.74 2weh s ILE 33 N -0.59 4.94 -0.61 4.11 1.01 0.13 -4.93 121.20 125.27 2weh s ILE 33 Ca 0.43 -1.14 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 2weh s ILE 33 Cb -0.24 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.30 2weh s ILE 33 CO 0.30 -0.54 1.16 -0.62 0.00 0.00 0.00 174.94 175.24 2weh s ASP 34 N 2.42 6.37 0.40 3.58 -1.08 -1.26 -0.30 116.67 126.79 2weh s ASP 34 Ca 0.04 -0.11 0.12 0.00 -0.52 0.00 0.00 52.55 52.07 2weh s ASP 34 Cb -0.24 -2.53 0.83 0.00 -1.46 0.00 0.00 42.92 39.52 2weh s ASP 34 CO 0.05 -1.51 1.91 0.71 0.52 0.00 0.00 175.17 176.86 2weh h THR 35 N 6.10 1.19 0.00 1.71 1.35 -1.94 -0.78 112.91 120.54 2weh h THR 35 Ca -0.26 -0.88 -0.11 0.00 -0.55 0.00 0.00 66.41 64.61 2weh h THR 35 Cb 1.06 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 2weh h THR 35 CO 1.19 0.26 -0.52 0.45 -0.25 0.00 0.00 175.52 176.65 2weh h HIS 36 N 0.10 0.00 0.00 4.73 3.86 -2.04 -3.30 115.15 118.50 2weh h HIS 36 Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2weh h HIS 36 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2weh h HIS 36 CO 0.00 0.52 -1.11 2.41 0.86 0.00 0.00 177.93 180.61 2weh n THR 37 N -3.57 0.66 -2.20 2.45 -1.04 -0.38 -4.89 114.28 105.30 2weh n THR 37 Ca -0.00 -0.57 -0.39 0.00 -2.04 0.00 0.00 64.05 61.05 2weh n THR 37 Cb 0.60 -0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 68.73 2weh n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2weh s ALA 38 N -3.32 3.30 -0.24 2.41 0.00 -0.68 -4.85 121.76 118.38 2weh s ALA 38 Ca -0.01 1.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 2weh s ALA 38 Cb 0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2weh s ALA 38 CO 0.80 -0.60 0.07 0.21 0.00 0.00 0.00 175.76 176.24 2weh s LYS 39 N -2.05 3.68 -0.00 0.00 2.47 -0.74 -4.75 119.74 118.35 2weh s LYS 39 Ca 0.53 -0.47 -0.37 0.00 -1.56 0.00 0.00 55.97 54.11 2weh s LYS 39 Cb -0.35 -3.31 -0.15 0.00 -1.46 0.00 0.00 37.83 32.56 2weh s LYS 39 CO 0.45 -0.14 1.53 0.98 0.16 0.00 0.00 175.35 178.33 2weh n TYR 40 N 4.79 1.85 -3.93 4.03 9.36 -1.26 -0.48 117.16 131.52 2weh n TYR 40 Ca -0.16 0.49 -0.30 0.00 3.32 0.00 0.00 57.90 61.24 2weh n TYR 40 Cb 0.51 -2.43 -0.14 0.00 -0.63 0.00 0.00 39.34 36.65 2weh n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2weh s ASP 41 N 1.62 4.42 0.00 2.98 -1.08 -0.54 -4.86 116.67 119.22 2weh s ASP 41 Ca 0.87 -2.41 0.08 0.00 -0.52 0.00 0.00 52.55 50.57 2weh s ASP 41 Cb -0.91 -1.48 0.34 0.00 -1.46 0.00 0.00 42.92 39.42 2weh s ASP 41 CO 0.50 -0.33 1.24 -0.81 0.52 0.00 0.00 175.17 176.30 2weh n PRO 42 N 3.89 0.01 0.00 4.34 -0.04 -1.26 -1.36 135.00 140.58 2weh n PRO 42 Ca 0.04 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2weh n PRO 42 Cb 0.38 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.67 2weh n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2weh n SER 43 N -1.48 1.05 -4.75 3.54 3.41 -1.26 -4.85 113.62 109.28 2weh n SER 43 Ca 0.02 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.35 2weh n SER 43 Cb 0.09 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2weh n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2weh s LEU 44 N -2.56 4.46 0.77 1.04 1.43 -0.46 -5.04 118.68 118.32 2weh s LEU 44 Ca 0.22 2.44 -0.08 0.00 -1.03 0.00 0.00 54.13 55.69 2weh s LEU 44 Cb 0.19 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.89 2weh s LEU 44 CO 0.55 -0.42 1.09 -0.54 0.23 0.00 0.00 176.35 177.26 2weh s LYS 45 N -1.00 1.73 0.44 1.70 -0.14 -1.20 -4.98 119.74 116.29 2weh s LYS 45 Ca 0.51 -0.44 -0.24 0.00 -1.36 0.00 0.00 55.97 54.44 2weh s LYS 45 Cb -0.36 -2.12 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 2weh s LYS 45 CO 0.43 -1.56 1.24 -2.14 -0.76 0.00 0.00 175.35 172.56 2weh s PRO 46 N -5.39 3.79 0.61 -1.68 0.02 -1.26 -3.35 135.00 127.75 2weh s PRO 46 Ca 0.64 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 63.47 2weh s PRO 46 Cb -0.08 -2.56 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 2weh s PRO 46 CO 0.47 -0.58 1.15 -0.51 -0.33 0.00 0.00 177.00 177.19 2weh s LEU 47 N -2.79 3.58 -0.25 -5.54 1.43 -1.26 -2.08 118.68 111.76 2weh s LEU 47 Ca 0.61 2.18 -0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2weh s LEU 47 Cb -0.34 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.38 2weh s LEU 47 CO 0.42 -1.53 0.02 -0.55 0.23 0.00 0.00 176.35 174.94 2weh s SER 48 N -2.01 3.71 -0.37 2.29 0.15 0.28 -4.85 113.70 112.90 2weh s SER 48 Ca 0.72 -1.28 -0.14 0.00 0.70 0.00 0.00 55.95 55.95 2weh s SER 48 Cb -0.25 -0.96 -0.00 0.00 -1.71 0.00 0.00 66.02 63.10 2weh s SER 48 CO 0.34 -0.32 0.26 -0.69 1.20 0.00 0.00 173.24 174.04 2weh s VAL 49 N 1.55 5.26 -0.62 4.45 1.01 -1.26 -0.99 120.40 129.80 2weh s VAL 49 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2weh s VAL 49 Cb -0.18 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.56 2weh s VAL 49 CO -0.12 -0.13 0.41 -0.44 0.00 0.00 0.00 175.10 174.82 2weh s SER 50 N 1.70 5.00 0.00 3.32 0.01 -0.26 -4.90 113.70 118.58 2weh s SER 50 Ca 0.06 -2.98 0.17 0.00 1.31 0.00 0.00 55.95 54.50 2weh s SER 50 Cb -0.18 -1.79 0.25 0.00 0.21 0.00 0.00 66.02 64.51 2weh s SER 50 CO 0.10 -0.31 1.16 -1.22 0.41 0.00 0.00 173.24 173.38 2weh n TYR 51 N 3.26 0.25 -0.27 2.43 4.01 -1.26 -1.76 117.16 123.83 2weh n TYR 51 Ca 0.08 -0.18 0.16 0.00 -0.16 0.00 0.00 57.90 57.80 2weh n TYR 51 Cb 0.36 -0.01 0.45 0.00 -0.31 0.00 0.00 39.34 39.83 2weh n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2weh h ASP 52 N 3.21 0.53 -0.65 7.72 2.03 -1.91 -1.99 116.42 125.35 2weh h ASP 52 Ca 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 2weh h ASP 52 Cb 0.75 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 2weh h ASP 52 CO 0.00 0.22 0.00 1.67 -1.03 0.00 0.00 179.24 180.10 2weh n GLN 53 N -4.56 3.78 -1.74 4.15 -0.06 -1.21 -5.01 117.38 112.73 2weh n GLN 53 Ca 0.19 -2.87 -0.42 0.00 -2.00 0.00 0.00 57.00 51.90 2weh n GLN 53 Cb 0.62 -1.92 -0.01 0.00 -4.06 0.00 0.00 30.24 24.88 2weh n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2weh n ALA 54 N 1.13 2.07 -3.90 1.69 0.00 -0.75 -4.68 120.51 116.06 2weh n ALA 54 Ca 0.26 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.73 2weh n ALA 54 Cb 0.90 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.84 2weh n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2weh s THR 55 N -0.61 2.79 0.52 0.00 2.01 -1.26 -4.93 115.64 114.17 2weh s THR 55 Ca 0.59 -2.45 -0.13 0.00 0.31 0.00 0.00 61.69 60.01 2weh s THR 55 Cb -0.52 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 2weh s THR 55 CO 0.57 -0.68 0.94 -0.94 -0.69 0.00 0.00 174.62 173.81 2weh s SER 56 N 1.02 6.47 0.00 3.53 1.04 -1.26 -0.95 113.70 123.55 2weh s SER 56 Ca 0.11 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2weh s SER 56 Cb -0.21 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2weh s SER 56 CO -0.05 -0.63 0.00 0.18 0.98 0.00 0.00 173.24 173.72 2weh n LEU 57 N -1.89 1.96 -3.52 2.42 4.77 -0.08 -4.05 117.00 116.62 2weh n LEU 57 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 2weh n LEU 57 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 2weh n LEU 57 CO 0.50 0.31 0.48 -0.60 -1.33 0.00 0.00 177.39 176.75 2weh s ARG 58 N -1.89 1.02 -0.04 3.23 3.52 -1.23 -1.37 118.95 122.20 2weh s ARG 58 Ca 0.00 0.16 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 2weh s ARG 58 Cb 0.00 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 2weh s ARG 58 CO 0.00 -0.34 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.43 2weh s ILE 59 N -1.47 1.84 -0.01 4.11 2.07 0.34 -0.67 121.20 127.42 2weh s ILE 59 Ca -0.08 -0.96 0.02 0.00 -1.41 0.00 0.00 60.65 58.21 2weh s ILE 59 Cb -0.00 -1.55 -0.00 0.00 0.13 0.00 0.00 42.46 41.03 2weh s ILE 59 CO 0.06 0.52 -0.05 -1.48 -1.91 0.00 0.00 174.94 172.08 2weh s LEU 60 N -0.25 1.98 -0.47 8.50 2.34 -0.23 -0.53 118.68 130.02 2weh s LEU 60 Ca 0.01 -0.10 -0.24 0.00 0.06 0.00 0.00 54.13 53.85 2weh s LEU 60 Cb -0.12 -0.29 0.03 0.00 -0.56 0.00 0.00 46.19 45.25 2weh s LEU 60 CO 0.02 0.06 0.88 0.21 -1.06 0.00 0.00 176.35 176.46 2weh s ASN 61 N -0.08 6.45 -0.05 1.48 3.84 -0.14 -0.94 114.94 125.50 2weh s ASN 61 Ca 0.02 -0.02 0.21 0.00 0.21 0.00 0.00 52.86 53.27 2weh s ASN 61 Cb -0.03 -2.43 0.68 0.00 -0.55 0.00 0.00 41.25 38.93 2weh s ASN 61 CO -0.00 -1.03 1.58 -0.46 -2.79 0.00 0.00 177.10 174.40 2weh n ASN 62 N 7.05 4.31 0.00 -4.21 0.23 -0.94 0.72 115.26 122.42 2weh n ASN 62 Ca 0.04 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 2weh n ASN 62 Cb 0.48 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 2weh n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2weh n GLY 63 N 1.46 0.99 0.00 4.83 0.00 -1.26 -4.76 105.19 106.45 2weh n GLY 63 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2weh n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2weh n HIS 64 N -2.00 0.00 -3.80 1.61 8.25 -1.26 -4.71 115.22 113.31 2weh n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2weh n HIS 64 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 2weh n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2weh n ALA 65 N -1.68 -2.11 -2.60 -1.41 0.00 -1.26 -4.86 120.51 106.59 2weh n ALA 65 Ca 0.00 -0.81 -0.32 0.00 0.00 0.00 0.00 53.44 52.32 2weh n ALA 65 Cb 0.38 0.45 -0.10 0.00 0.00 0.00 0.00 19.45 20.17 2weh n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2weh s PHE 66 N -2.95 2.89 -0.12 0.00 -0.71 -1.26 -2.20 117.98 113.63 2weh s PHE 66 Ca 0.18 -0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 2weh s PHE 66 Cb -0.02 -1.60 -0.02 0.00 -1.21 0.00 0.00 43.02 40.17 2weh s PHE 66 CO 0.04 0.38 -0.09 -0.80 -1.34 0.00 0.00 175.22 173.42 2weh s ASN 67 N -1.50 4.38 -0.26 1.98 0.02 -0.11 -4.23 114.94 115.22 2weh s ASN 67 Ca 0.18 -0.20 -0.12 0.00 -1.02 0.00 0.00 52.86 51.70 2weh s ASN 67 Cb -0.11 -1.53 -0.05 0.00 0.02 0.00 0.00 41.25 39.58 2weh s ASN 67 CO 0.08 0.21 0.23 -0.69 0.02 0.00 0.00 177.10 176.96 2weh s VAL 68 N 0.07 5.29 0.05 1.60 1.01 0.12 -1.07 120.40 127.47 2weh s VAL 68 Ca -0.03 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2weh s VAL 68 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2weh s VAL 68 CO 0.04 0.27 0.10 -1.61 0.00 0.00 0.00 175.10 173.89 2weh s GLU 69 N 1.51 3.02 0.28 2.72 2.02 0.16 -0.99 118.70 127.42 2weh s GLU 69 Ca 0.10 -0.59 0.08 0.00 0.02 0.00 0.00 54.97 54.58 2weh s GLU 69 Cb -0.15 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 2weh s GLU 69 CO 0.08 0.60 -0.08 -0.06 0.02 0.00 0.00 175.26 175.82 2weh s PHE 70 N -1.33 2.04 -0.46 1.61 0.40 -0.39 -0.90 117.98 118.95 2weh s PHE 70 Ca 0.28 -0.62 -0.27 0.00 -0.60 0.00 0.00 56.93 55.71 2weh s PHE 70 Cb -0.12 -1.13 0.03 0.00 0.51 0.00 0.00 43.02 42.31 2weh s PHE 70 CO 0.20 0.38 1.03 0.34 0.70 0.00 0.00 175.22 177.86 2weh s ASP 71 N -3.47 6.59 -0.33 1.36 2.15 -0.12 -4.86 116.67 117.99 2weh s ASP 71 Ca 0.29 0.35 0.07 0.00 0.43 0.00 0.00 52.55 53.69 2weh s ASP 71 Cb 0.02 -2.50 0.53 0.00 -0.30 0.00 0.00 42.92 40.68 2weh s ASP 71 CO 0.12 -1.12 1.55 -0.90 -0.17 0.00 0.00 175.17 174.65 2weh n ASP 72 N 7.43 2.88 -0.64 -0.34 5.75 -1.26 -4.53 116.55 125.83 2weh n ASP 72 Ca 0.09 -3.77 0.13 0.00 -0.01 0.00 0.00 54.79 51.22 2weh n ASP 72 Cb 0.49 -0.67 0.24 0.00 -1.03 0.00 0.00 41.12 40.14 2weh n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2weh n SER 73 N -1.11 2.13 -4.07 -1.12 3.41 -1.26 -4.86 113.62 106.73 2weh n SER 73 Ca 0.39 -1.62 -0.11 0.00 -0.26 0.00 0.00 58.87 57.27 2weh n SER 73 Cb 1.13 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 65.11 2weh n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2weh s GLN 74 N -2.16 1.35 -1.33 4.33 -0.21 -1.26 -5.08 119.66 115.30 2weh s GLN 74 Ca 0.28 -1.53 -0.17 0.00 0.02 0.00 0.00 55.36 53.96 2weh s GLN 74 Cb 0.20 0.34 0.03 0.00 1.00 0.00 0.00 33.01 34.58 2weh s GLN 74 CO 0.39 -0.49 2.01 -0.25 -2.12 0.00 0.00 175.29 174.83 2weh n ASP 75 N -0.39 4.11 -0.08 5.90 8.00 -1.26 -4.59 116.55 128.23 2weh n ASP 75 Ca 0.01 -2.85 -0.08 0.00 0.71 0.00 0.00 54.79 52.58 2weh n ASP 75 Cb 0.64 -1.65 -0.13 0.00 -0.02 0.00 0.00 41.12 39.96 2weh n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2weh n LYS 76 N 7.14 1.27 -3.51 -1.24 5.02 -1.26 -4.84 118.16 120.73 2weh n LYS 76 Ca 0.50 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.54 2weh n LYS 76 Cb 0.42 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 2weh n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2weh s ALA 77 N -2.40 0.26 0.16 7.82 0.00 -1.26 -3.30 121.76 123.04 2weh s ALA 77 Ca -0.09 -0.66 0.10 0.00 0.00 0.00 0.00 51.96 51.31 2weh s ALA 77 Cb 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 2weh s ALA 77 CO 0.66 -1.54 -0.22 0.14 0.00 0.00 0.00 175.76 174.80 2weh s VAL 78 N 2.19 2.03 -0.11 0.00 -7.23 -0.72 -0.47 120.40 116.08 2weh s VAL 78 Ca 0.08 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2weh s VAL 78 Cb -0.16 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 2weh s VAL 78 CO -0.29 -0.14 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.05 2weh s LEU 79 N -2.43 3.05 0.31 1.32 2.96 0.76 -1.10 118.68 123.55 2weh s LEU 79 Ca 0.15 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 2weh s LEU 79 Cb -0.08 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2weh s LEU 79 CO 0.07 0.25 0.47 -1.59 -1.32 0.00 0.00 176.35 174.23 2weh s LYS 80 N -0.14 1.78 2.99 1.98 -2.85 -0.16 -1.71 119.74 121.62 2weh s LYS 80 Ca 0.01 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.40 2weh s LYS 80 Cb -0.13 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2weh s LYS 80 CO 0.03 -0.74 0.00 0.41 0.10 0.00 0.00 175.35 175.15 2weh n GLY 81 N -0.49 -0.32 7.00 0.59 0.00 -1.26 -0.56 105.19 110.15 2weh n GLY 81 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2weh n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weh n GLY 82 N 0.00 3.55 0.67 -0.02 0.00 -0.88 -0.26 105.19 108.24 2weh n GLY 82 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.99 2weh n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2weh n PRO 83 N 14.00 1.87 -3.12 1.61 -0.04 -1.26 -3.25 135.00 144.81 2weh n PRO 83 Ca 0.00 -1.32 -0.38 0.00 -0.04 0.00 0.00 63.50 61.76 2weh n PRO 83 Cb 0.00 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 2weh n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2weh s LEU 84 N -1.49 4.49 -0.16 1.53 1.43 0.64 -5.07 118.68 120.04 2weh s LEU 84 Ca 0.33 1.44 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2weh s LEU 84 Cb 0.18 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2weh s LEU 84 CO 0.26 0.17 -0.05 -1.81 0.23 0.00 0.00 176.35 175.15 2weh s ASP 85 N -1.32 4.61 0.00 2.29 -0.00 -1.26 -4.21 116.67 116.77 2weh s ASP 85 Ca 0.36 -0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.72 2weh s ASP 85 Cb -0.20 -1.75 0.00 0.00 -0.00 0.00 0.00 42.92 40.98 2weh s ASP 85 CO 0.22 0.15 0.00 0.61 -0.00 0.00 0.00 175.17 176.16 2weh n GLY 86 N 3.64 -2.27 3.26 0.21 0.00 -1.26 -4.96 105.19 103.81 2weh n GLY 86 Ca -0.18 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 2weh n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2weh s THR 87 N -0.25 2.43 -0.17 2.61 2.01 -1.26 -4.52 115.64 116.49 2weh s THR 87 Ca 0.00 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2weh s THR 87 Cb 0.00 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2weh s THR 87 CO 0.00 0.54 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.00 2weh s TYR 88 N 0.51 2.78 0.08 4.92 1.51 -0.70 -1.42 117.35 125.03 2weh s TYR 88 Ca -0.12 -1.24 -0.27 0.00 -1.01 0.00 0.00 57.07 54.43 2weh s TYR 88 Cb -0.17 -1.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 2weh s TYR 88 CO 0.05 -0.59 0.83 1.03 -1.11 0.00 0.00 175.55 175.75 2weh s ARG 89 N 1.01 4.57 0.09 -0.62 0.52 -0.50 -0.17 118.95 123.86 2weh s ARG 89 Ca -0.02 1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 56.08 2weh s ARG 89 Cb -0.15 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 2weh s ARG 89 CO -0.04 0.30 1.58 -1.17 0.02 0.00 0.00 175.30 176.00 2weh s LEU 90 N -0.20 4.36 -0.07 2.53 2.96 0.38 -1.00 118.68 127.64 2weh s LEU 90 Ca 0.41 2.47 0.04 0.00 -0.22 0.00 0.00 54.13 56.83 2weh s LEU 90 Cb -0.22 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 2weh s LEU 90 CO 0.26 -0.83 -0.00 0.00 -1.32 0.00 0.00 176.35 174.45 2weh n ILE 91 N 4.46 0.46 -3.51 6.68 3.06 0.13 -4.51 119.36 126.12 2weh n ILE 91 Ca 0.15 -0.25 -0.12 0.00 -2.50 0.00 0.00 62.75 60.03 2weh n ILE 91 Cb 0.40 -0.82 -0.04 0.00 0.54 0.00 0.00 39.64 39.73 2weh n ILE 91 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2weh s GLN 92 N -2.16 0.91 0.14 9.51 -0.44 -1.16 -1.26 119.66 125.19 2weh s GLN 92 Ca -0.05 -0.08 0.07 0.00 -2.50 0.00 0.00 55.36 52.79 2weh s GLN 92 Cb 0.02 0.42 -0.04 0.00 -1.64 0.00 0.00 33.01 31.78 2weh s GLN 92 CO 0.25 -0.34 -0.15 -0.59 0.50 0.00 0.00 175.29 174.95 2weh s PHE 93 N -2.24 1.52 0.37 1.67 -0.12 -0.16 -0.74 117.98 118.29 2weh s PHE 93 Ca -0.01 -0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 56.30 2weh s PHE 93 Cb -0.01 -0.78 0.01 0.00 -0.63 0.00 0.00 43.02 41.61 2weh s PHE 93 CO -0.02 0.20 0.52 -3.38 -0.05 0.00 0.00 175.22 172.49 2weh s HIS 94 N -2.16 1.06 0.28 3.49 -3.43 -0.74 -0.70 115.29 113.09 2weh s HIS 94 Ca 0.11 -1.31 0.05 0.00 -0.80 0.00 0.00 55.06 53.11 2weh s HIS 94 Cb -0.05 -0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 2weh s HIS 94 CO 0.04 -1.22 -0.02 -0.06 -2.00 0.00 0.00 174.74 171.48 2weh s PHE 95 N -2.81 1.89 -0.04 0.38 0.40 -1.26 -0.82 117.98 115.72 2weh s PHE 95 Ca 0.30 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2weh s PHE 95 Cb -0.01 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.40 2weh s PHE 95 CO 0.21 0.17 -0.10 -1.01 0.70 0.00 0.00 175.22 175.20 2weh s HIS 96 N -3.14 1.11 0.23 0.36 3.76 -0.35 -4.76 115.29 112.51 2weh s HIS 96 Ca 0.31 -0.32 -0.08 0.00 -0.15 0.00 0.00 55.06 54.82 2weh s HIS 96 Cb 0.05 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 2weh s HIS 96 CO 0.12 -0.16 0.34 1.67 -0.85 0.00 0.00 174.74 175.85 2weh s TRP 97 N 0.41 0.71 0.46 1.40 -2.14 -1.23 -0.57 118.94 117.97 2weh s TRP 97 Ca -0.07 -1.01 0.07 0.00 2.66 0.00 0.00 56.10 57.75 2weh s TRP 97 Cb -0.12 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.13 2weh s TRP 97 CO 0.01 -0.85 0.42 0.20 -2.66 0.00 0.00 176.95 174.07 2weh s GLY 98 N -3.08 2.15 0.29 3.67 0.00 -1.14 -1.04 107.32 108.17 2weh s GLY 98 Ca 0.29 -1.79 0.25 0.00 0.00 0.00 0.00 44.72 43.48 2weh s GLY 98 CO 0.11 -1.74 1.73 1.48 0.00 0.00 0.00 173.10 174.67 2weh h SER 99 N 0.90 0.00 -5.16 1.64 4.64 -1.89 -3.38 113.55 110.30 2weh h SER 99 Ca -0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 2weh h SER 99 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 2weh h SER 99 CO 0.56 0.00 -0.31 -0.76 -0.87 0.00 0.00 176.83 175.45 2weh s LEU 100 N -5.10 1.18 0.54 5.97 1.43 -1.26 -5.04 118.68 116.40 2weh s LEU 100 Ca 0.09 -0.63 0.32 0.00 -1.03 0.00 0.00 54.13 52.88 2weh s LEU 100 Cb 0.10 1.20 1.53 0.00 0.03 0.00 0.00 46.19 49.05 2weh s LEU 100 CO 0.61 -0.78 2.07 0.44 0.23 0.00 0.00 176.35 178.93 2weh h ASP 101 N 2.65 0.00 0.00 2.29 3.32 -1.92 -2.84 116.42 119.92 2weh h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2weh h ASP 101 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2weh h ASP 101 CO 0.53 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2weh n GLY 102 N -0.47 -0.90 3.78 2.75 0.00 -1.26 -3.69 105.19 105.39 2weh n GLY 102 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2weh n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2weh s GLN 103 N -2.00 1.69 0.00 1.61 -2.07 -1.07 -4.70 119.66 113.12 2weh s GLN 103 Ca 0.13 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 2weh s GLN 103 Cb 0.06 0.61 0.00 0.00 -1.09 0.00 0.00 33.01 32.59 2weh s GLN 103 CO 0.10 -0.77 0.00 0.41 -1.32 0.00 0.00 175.29 173.71 2weh n GLY 104 N -0.44 3.18 3.83 2.60 0.00 -1.13 -3.12 105.19 110.10 2weh n GLY 104 Ca -0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2weh n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weh s SER 105 N 0.00 5.20 -0.21 1.61 1.04 -0.12 -3.47 113.70 117.76 2weh s SER 105 Ca 0.00 1.43 -0.16 0.00 0.48 0.00 0.00 55.95 57.70 2weh s SER 105 Cb 0.00 -2.27 -0.09 0.00 0.10 0.00 0.00 66.02 63.76 2weh s SER 105 CO 0.00 -1.53 -0.26 -0.62 0.98 0.00 0.00 173.24 171.81 2weh n GLU 106 N -3.17 0.54 -2.34 4.02 1.02 -1.26 -4.84 120.64 114.61 2weh n GLU 106 Ca 0.07 0.32 -0.34 0.00 -0.02 0.00 0.00 57.16 57.19 2weh n GLU 106 Cb 0.55 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 2weh n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2weh s HIS 107 N -2.61 2.80 0.24 -0.32 3.76 -1.26 -4.23 115.29 113.66 2weh s HIS 107 Ca -0.29 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.25 2weh s HIS 107 Cb 0.07 -3.19 -0.05 0.00 1.11 0.00 0.00 32.58 30.52 2weh s HIS 107 CO 0.43 -1.28 -0.12 0.95 -0.85 0.00 0.00 174.74 173.87 2weh s THR 108 N -1.90 1.78 -0.23 1.30 -4.23 -1.15 -4.69 115.64 106.50 2weh s THR 108 Ca 0.70 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 2weh s THR 108 Cb -0.21 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.49 2weh s THR 108 CO 0.25 -0.48 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.04 2weh s VAL 109 N -2.94 1.98 -1.60 2.29 1.01 -0.55 -0.69 120.40 119.89 2weh s VAL 109 Ca 0.25 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 2weh s VAL 109 Cb 0.00 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.44 2weh s VAL 109 CO 0.09 0.08 0.84 0.47 0.00 0.00 0.00 175.10 176.58 2weh n ASP 110 N 4.53 -3.64 0.00 3.32 8.00 0.59 -0.40 116.55 128.95 2weh n ASP 110 Ca -0.15 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2weh n ASP 110 Cb 0.44 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 2weh n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2weh n LYS 111 N -4.51 0.00 -2.23 -1.24 4.76 -1.26 -5.00 118.16 108.68 2weh n LYS 111 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2weh n LYS 111 Cb 0.53 -2.08 -0.03 0.00 -1.84 0.00 0.00 35.03 31.61 2weh n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2weh s LYS 112 N -0.04 4.30 -0.11 1.97 2.20 0.47 -4.99 119.74 123.54 2weh s LYS 112 Ca 0.00 1.97 -0.13 0.00 -0.36 0.00 0.00 55.97 57.45 2weh s LYS 112 Cb 0.00 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 2weh s LYS 112 CO 0.00 -0.53 0.29 0.15 -0.36 0.00 0.00 175.35 174.90 2weh s LYS 113 N 2.07 4.00 0.45 4.03 1.02 -1.26 -1.49 119.74 128.57 2weh s LYS 113 Ca 0.63 0.12 0.04 0.00 0.02 0.00 0.00 55.97 56.79 2weh s LYS 113 Cb -0.32 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2weh s LYS 113 CO 0.27 0.46 0.64 0.71 -0.92 0.00 0.00 175.35 176.51 2weh s TYR 114 N -0.22 2.95 0.39 3.18 2.02 -1.26 -4.58 117.35 119.83 2weh s TYR 114 Ca 0.18 -0.13 0.22 0.00 -0.37 0.00 0.00 57.07 56.97 2weh s TYR 114 Cb -0.14 -2.42 1.20 0.00 -0.40 0.00 0.00 41.96 40.20 2weh s TYR 114 CO 0.06 -0.49 1.99 0.00 -1.57 0.00 0.00 175.55 175.55 2weh h ALA 115 N 0.45 1.35 -2.23 3.71 0.00 -1.47 -0.26 119.26 120.81 2weh h ALA 115 Ca -0.43 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.50 2weh h ALA 115 Cb 1.28 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 2weh h ALA 115 CO 0.51 0.23 0.52 0.00 0.00 0.00 0.00 179.25 180.51 2weh s ALA 116 N -4.22 -1.74 -0.10 0.00 0.00 -1.10 -2.90 121.76 111.70 2weh s ALA 116 Ca -0.03 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 2weh s ALA 116 Cb 0.14 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2weh s ALA 116 CO 0.63 -0.99 0.22 -2.00 0.00 0.00 0.00 175.76 173.63 2weh s GLU 117 N -3.17 0.15 0.02 0.00 2.12 0.26 -1.05 118.70 117.03 2weh s GLU 117 Ca 0.11 0.55 -0.20 0.00 0.36 0.00 0.00 54.97 55.78 2weh s GLU 117 Cb -0.01 -0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.19 2weh s GLU 117 CO -0.00 -0.20 0.60 -1.17 -0.54 0.00 0.00 175.26 173.94 2weh s LEU 118 N 1.59 4.45 -0.20 2.70 2.96 0.69 -1.21 118.68 129.67 2weh s LEU 118 Ca -0.06 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 2weh s LEU 118 Cb -0.11 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.67 2weh s LEU 118 CO -0.08 0.15 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.94 2weh s HIS 119 N -0.47 2.87 -0.33 5.38 3.76 0.00 -0.74 115.29 125.76 2weh s HIS 119 Ca 0.31 -1.66 -0.10 0.00 -0.15 0.00 0.00 55.06 53.46 2weh s HIS 119 Cb -0.19 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.56 2weh s HIS 119 CO 0.18 -0.79 0.17 -0.51 -0.85 0.00 0.00 174.74 172.94 2weh s LEU 120 N 1.29 4.28 -0.21 0.89 1.02 -0.46 -1.79 118.68 123.70 2weh s LEU 120 Ca 0.03 -0.67 -0.09 0.00 0.02 0.00 0.00 54.13 53.42 2weh s LEU 120 Cb -0.14 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2weh s LEU 120 CO -0.11 -0.25 0.11 -0.69 0.02 0.00 0.00 176.35 175.44 2weh s VAL 121 N 1.59 5.08 -0.01 -1.59 1.01 0.08 -1.18 120.40 125.38 2weh s VAL 121 Ca 0.04 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2weh s VAL 121 Cb -0.18 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2weh s VAL 121 CO 0.06 0.40 -0.16 -1.00 0.00 0.00 0.00 175.10 174.41 2weh s HIS 122 N 0.72 1.40 -0.04 5.22 3.76 -0.40 -0.70 115.29 125.26 2weh s HIS 122 Ca 0.06 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 2weh s HIS 122 Cb -0.13 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 2weh s HIS 122 CO 0.02 -0.03 -0.10 1.67 -0.85 0.00 0.00 174.74 175.45 2weh s TRP 123 N -0.35 2.84 -0.15 1.40 1.48 -0.17 -0.68 118.94 123.31 2weh s TRP 123 Ca 0.06 -0.06 -0.29 0.00 -1.06 0.00 0.00 56.10 54.75 2weh s TRP 123 Cb -0.06 -1.65 -0.06 0.00 -1.16 0.00 0.00 33.47 30.53 2weh s TRP 123 CO -0.01 0.29 2.12 1.21 -4.06 0.00 0.00 176.95 176.51 2weh s ASN 124 N -0.92 5.76 0.08 -2.66 3.84 -0.09 -1.41 114.94 119.54 2weh s ASN 124 Ca 0.13 2.08 0.21 0.00 0.21 0.00 0.00 52.86 55.49 2weh s ASN 124 Cb -0.11 -2.52 0.86 0.00 -0.55 0.00 0.00 41.25 38.94 2weh s ASN 124 CO 0.02 -1.69 1.66 0.35 -2.79 0.00 0.00 177.10 174.66 2weh n THR 125 N 7.10 0.69 0.14 -5.21 -2.24 -0.51 -1.39 114.28 112.85 2weh n THR 125 Ca 0.27 0.13 0.06 0.00 -2.27 0.00 0.00 64.05 62.24 2weh n THR 125 Cb 0.44 -0.87 0.32 0.00 -2.10 0.00 0.00 70.33 68.11 2weh n THR 125 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2weh n LYS 127 N -1.75 0.08 -0.20 -0.78 2.85 -1.26 -1.72 118.16 115.38 2weh n LYS 127 Ca 0.04 0.54 0.09 0.00 -1.05 0.00 0.00 58.31 57.93 2weh n LYS 127 Cb 0.25 -1.73 0.20 0.00 -0.65 0.00 0.00 35.03 33.10 2weh n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2weh n TYR 128 N -1.89 0.53 0.00 5.58 4.01 -0.49 -4.99 117.16 119.91 2weh n TYR 128 Ca -0.00 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 2weh n TYR 128 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2weh n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2weh n GLY 129 N 1.12 0.88 3.49 2.72 0.00 -0.70 -4.43 105.19 108.26 2weh n GLY 129 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2weh n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2weh s ASP 130 N 0.00 0.46 0.12 1.61 1.47 -1.26 -5.05 116.67 114.02 2weh s ASP 130 Ca 0.00 -1.28 -0.16 0.00 1.18 0.00 0.00 52.55 52.29 2weh s ASP 130 Cb 0.00 0.60 -0.03 0.00 -0.34 0.00 0.00 42.92 43.15 2weh s ASP 130 CO 0.00 -1.19 1.62 0.15 0.68 0.00 0.00 175.17 176.43 2weh h PHE 131 N 2.23 0.62 -0.80 2.11 3.57 -1.94 -1.30 116.94 121.42 2weh h PHE 131 Ca -0.29 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 2weh h PHE 131 Cb 1.24 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2weh h PHE 131 CO 0.96 0.62 0.44 0.78 -2.23 0.00 0.00 178.31 178.88 2weh h GLY 132 N 0.44 1.19 1.05 2.40 0.00 -1.96 -2.18 103.07 104.00 2weh h GLY 132 Ca 0.11 -0.53 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 2weh h GLY 132 CO 0.00 0.51 -0.69 0.50 0.00 0.00 0.00 176.54 176.86 2weh h LYS 133 N 1.12 0.67 -0.84 4.80 1.79 -1.76 -3.32 116.57 119.03 2weh h LYS 133 Ca 0.28 -0.57 0.15 0.00 -2.18 0.00 0.00 60.65 58.33 2weh h LYS 133 Cb 0.02 0.12 -0.09 0.00 -1.58 0.00 0.00 32.23 30.70 2weh h LYS 133 CO -0.05 1.18 0.42 0.00 -1.08 0.00 0.00 179.45 179.93 2weh h ALA 134 N 0.50 1.25 0.00 3.86 0.00 -0.88 -1.99 119.26 122.00 2weh h ALA 134 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2weh h ALA 134 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2weh h ALA 134 CO 0.14 -0.10 0.00 -0.39 0.00 0.00 0.00 179.25 178.90 2weh h VAL 135 N 0.61 0.00 -0.03 0.00 -1.51 -1.51 -0.05 116.25 113.76 2weh h VAL 135 Ca 0.46 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 2weh h VAL 135 Cb 0.65 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2weh h VAL 135 CO -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 175.98 2weh n GLN 136 N -2.41 1.30 -4.73 5.19 6.02 -0.75 -4.64 117.38 117.36 2weh n GLN 136 Ca 0.01 -0.44 -0.30 0.00 -0.01 0.00 0.00 57.00 56.25 2weh n GLN 136 Cb 0.19 -1.45 -0.14 0.00 1.02 0.00 0.00 30.24 29.87 2weh n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2weh s GLN 137 N -1.97 1.85 0.50 -1.09 -1.52 -0.03 -5.03 119.66 112.36 2weh s GLN 137 Ca 0.40 -1.10 0.21 0.00 -1.95 0.00 0.00 55.36 52.92 2weh s GLN 137 Cb 0.20 -2.05 1.31 0.00 -0.22 0.00 0.00 33.01 32.24 2weh s GLN 137 CO 0.32 0.51 2.08 -1.00 -0.25 0.00 0.00 175.29 176.95 2weh h PRO 138 N 4.55 0.00 -1.00 2.91 0.13 -1.85 -2.46 132.00 134.27 2weh h PRO 138 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 2weh h PRO 138 Cb 1.15 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.88 2weh h PRO 138 CO 0.45 0.11 -0.45 -0.40 -0.23 0.00 0.00 178.00 177.48 2weh n ASP 139 N -4.06 5.43 0.02 1.44 5.75 -1.26 -4.17 116.55 119.71 2weh n ASP 139 Ca -0.02 -3.75 -0.10 0.00 -0.01 0.00 0.00 54.79 50.90 2weh n ASP 139 Cb 0.20 -0.50 -0.13 0.00 -1.03 0.00 0.00 41.12 39.66 2weh n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2weh h GLY 140 N 2.27 0.05 -2.82 6.12 0.00 -1.19 -3.43 103.07 104.08 2weh h GLY 140 Ca 0.40 -0.14 -0.56 0.00 0.00 0.00 0.00 47.33 47.03 2weh h GLY 140 CO 0.94 0.12 -0.78 1.08 0.00 0.00 0.00 176.54 177.90 2weh s LEU 141 N -6.47 2.50 -0.14 3.11 1.43 0.81 -0.92 118.68 119.01 2weh s LEU 141 Ca -0.04 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2weh s LEU 141 Cb 0.08 -0.96 0.04 0.00 0.03 0.00 0.00 46.19 45.39 2weh s LEU 141 CO 0.83 -0.00 -0.02 0.00 0.23 0.00 0.00 176.35 177.39 2weh s ALA 142 N -2.27 1.10 -0.18 4.21 0.00 0.15 -1.22 121.76 123.54 2weh s ALA 142 Ca 0.22 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 2weh s ALA 142 Cb -0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2weh s ALA 142 CO 0.10 -0.73 0.01 0.08 0.00 0.00 0.00 175.76 175.21 2weh s VAL 143 N 1.81 4.15 -0.36 0.00 1.01 -1.01 -1.27 120.40 124.72 2weh s VAL 143 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2weh s VAL 143 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.38 2weh s VAL 143 CO -0.07 0.45 0.73 -0.22 0.00 0.00 0.00 175.10 175.99 2weh s LEU 144 N 0.69 4.18 -0.15 3.92 2.96 -0.33 -0.96 118.68 129.00 2weh s LEU 144 Ca 0.00 0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 2weh s LEU 144 Cb -0.14 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 2weh s LEU 144 CO 0.02 -0.68 0.22 -0.83 -1.32 0.00 0.00 176.35 173.76 2weh s GLY 145 N 1.83 2.17 -0.07 7.98 0.00 0.11 -1.36 107.32 117.97 2weh s GLY 145 Ca 0.29 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2weh s GLY 145 CO 0.16 0.15 -0.01 -0.42 0.00 0.00 0.00 173.10 172.98 2weh s ILE 146 N 0.01 0.46 0.38 0.90 1.01 0.08 -1.26 121.20 122.78 2weh s ILE 146 Ca 0.14 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 2weh s ILE 146 Cb -0.12 -0.58 -0.09 0.00 0.01 0.00 0.00 42.46 41.68 2weh s ILE 146 CO 0.03 0.26 1.06 -0.36 0.00 0.00 0.00 174.94 175.93 2weh s PHE 147 N 1.72 3.32 -0.09 3.97 0.08 -1.26 -0.22 117.98 125.50 2weh s PHE 147 Ca 0.02 1.65 0.02 0.00 0.12 0.00 0.00 56.93 58.74 2weh s PHE 147 Cb -0.13 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.14 2weh s PHE 147 CO -0.04 -0.63 -0.14 -0.51 -0.10 0.00 0.00 175.22 173.79 2weh s LEU 148 N -2.43 2.68 0.23 -0.37 1.02 -0.22 -0.90 118.68 118.68 2weh s LEU 148 Ca 0.55 -0.28 0.10 0.00 0.02 0.00 0.00 54.13 54.52 2weh s LEU 148 Cb -0.24 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 2weh s LEU 148 CO 0.30 0.25 -0.11 -1.59 0.02 0.00 0.00 176.35 175.22 2weh s LYS 149 N -0.15 1.97 -0.18 1.70 -2.85 -0.42 -1.94 119.74 117.86 2weh s LYS 149 Ca -0.01 -1.46 -0.18 0.00 -1.00 0.00 0.00 55.97 53.33 2weh s LYS 149 Cb -0.13 -2.03 -0.04 0.00 -2.06 0.00 0.00 37.83 33.57 2weh s LYS 149 CO 0.03 0.39 0.47 0.08 0.10 0.00 0.00 175.35 176.42 2weh s VAL 150 N -2.07 5.15 0.00 1.79 1.01 -1.26 -0.33 120.40 124.69 2weh s VAL 150 Ca 0.27 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2weh s VAL 150 Cb -0.07 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2weh s VAL 150 CO 0.16 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2weh n GLY 151 N 3.77 0.39 3.82 4.51 0.00 0.13 -4.87 105.19 112.93 2weh n GLY 151 Ca -0.06 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 2weh n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weh s SER 152 N 2.00 6.58 0.46 1.61 1.04 -1.26 -4.08 113.70 120.05 2weh s SER 152 Ca 0.00 1.72 -0.23 0.00 0.48 0.00 0.00 55.95 57.92 2weh s SER 152 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 2weh s SER 152 CO 0.00 -0.62 1.21 0.00 0.98 0.00 0.00 173.24 174.81 2weh s ALA 153 N -2.31 3.01 -0.41 5.32 0.00 -1.26 -2.16 121.76 123.96 2weh s ALA 153 Ca 0.62 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 2weh s ALA 153 Cb -0.12 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.60 2weh s ALA 153 CO 0.23 -0.76 0.41 0.21 0.00 0.00 0.00 175.76 175.84 2weh s LYS 154 N -2.62 3.16 0.36 0.00 2.47 -1.22 -4.81 119.74 117.08 2weh s LYS 154 Ca 0.63 -0.73 0.06 0.00 -1.56 0.00 0.00 55.97 54.37 2weh s LYS 154 Cb -0.32 -3.94 0.68 0.00 -1.46 0.00 0.00 37.83 32.79 2weh s LYS 154 CO 0.39 -0.79 1.90 -1.35 0.16 0.00 0.00 175.35 175.67 2weh h PRO 155 N 8.67 0.44 0.00 4.03 0.11 -1.92 -1.54 132.00 141.79 2weh h PRO 155 Ca -0.27 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2weh h PRO 155 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2weh h PRO 155 CO 0.77 0.48 0.00 0.41 -0.21 0.00 0.00 178.00 179.45 2weh n GLY 156 N -0.93 -1.17 0.09 -0.55 0.00 -1.26 -2.03 105.19 99.34 2weh n GLY 156 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2weh n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2weh h LEU 157 N 0.00 0.00 -1.16 0.99 5.85 -1.49 -3.41 115.31 116.09 2weh h LEU 157 Ca 0.00 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2weh h LEU 157 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2weh h LEU 157 CO 0.00 0.06 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.41 2weh h GLN 158 N 0.00 0.42 -0.05 1.25 5.75 -1.45 -1.62 115.11 119.41 2weh h GLN 158 Ca 0.00 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 2weh h GLN 158 Cb 0.78 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 2weh h GLN 158 CO 0.00 0.56 -0.14 0.87 -2.65 0.00 0.00 178.83 177.46 2weh h LYS 159 N 0.39 0.08 -0.13 1.69 1.57 -1.79 0.78 116.57 119.15 2weh h LYS 159 Ca 0.07 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 2weh h LYS 159 Cb 0.48 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.78 2weh h LYS 159 CO 0.03 0.22 -0.57 0.28 -0.57 0.00 0.00 179.45 178.85 2weh h VAL 160 N 0.07 1.33 -0.65 0.50 2.07 -1.61 -3.11 116.25 114.85 2weh h VAL 160 Ca 0.01 -1.84 -0.07 0.00 0.82 0.00 0.00 66.70 65.63 2weh h VAL 160 Cb 0.30 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2weh h VAL 160 CO 0.02 0.56 0.13 0.58 0.02 0.00 0.00 177.57 178.89 2weh h VAL 161 N 0.27 1.26 0.00 2.57 2.07 -0.70 -2.79 116.25 118.92 2weh h VAL 161 Ca -0.03 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2weh h VAL 161 Cb 1.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2weh h VAL 161 CO 0.12 0.37 0.00 0.44 0.02 0.00 0.00 177.57 178.52 2weh h ASP 162 N 1.00 0.00 0.60 0.57 3.32 -0.89 -2.89 116.42 118.12 2weh h ASP 162 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2weh h ASP 162 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2weh h ASP 162 CO 0.01 0.00 -0.45 0.55 -1.72 0.00 0.00 179.24 177.62 2weh n VAL 163 N -2.36 0.04 0.27 -1.35 3.14 -1.06 -4.49 118.33 112.53 2weh n VAL 163 Ca 0.03 -0.03 0.12 0.00 -2.96 0.00 0.00 64.34 61.50 2weh n VAL 163 Cb 0.32 0.12 0.75 0.00 -1.06 0.00 0.00 33.84 33.96 2weh n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2weh h LEU 164 N 0.00 0.00 -2.14 6.55 3.38 -1.51 -1.14 115.31 120.45 2weh h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2weh h LEU 164 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2weh h LEU 164 CO 0.00 0.07 -0.06 0.44 0.09 0.00 0.00 178.44 178.98 2weh h ASP 165 N 0.00 0.00 0.75 -0.43 3.32 -1.81 -2.36 116.42 115.89 2weh h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2weh h ASP 165 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2weh h ASP 165 CO 0.01 0.06 -0.41 -1.54 -1.72 0.00 0.00 179.24 175.64 2weh n SER 166 N -3.92 0.47 -2.33 6.45 3.41 -0.43 -4.06 113.62 113.20 2weh n SER 166 Ca -0.03 0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 2weh n SER 166 Cb 0.15 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 2weh n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2weh n ILE 167 N -1.70 2.09 -0.24 -1.33 -5.35 -0.89 -4.74 119.36 107.19 2weh n ILE 167 Ca 0.05 -3.91 0.00 0.00 -0.27 0.00 0.00 62.75 58.63 2weh n ILE 167 Cb 0.37 -0.41 0.23 0.00 -1.74 0.00 0.00 39.64 38.09 2weh n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2weh h LYS 168 N 2.39 1.03 -6.20 6.28 3.64 -1.69 -3.41 116.57 118.62 2weh h LYS 168 Ca 0.20 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.92 2weh h LYS 168 Cb 1.37 -0.23 -0.15 0.00 -0.41 0.00 0.00 32.23 32.81 2weh h LYS 168 CO 0.61 0.68 -0.77 0.95 -2.27 0.00 0.00 179.45 178.65 2weh s THR 169 N -5.89 2.38 0.19 1.00 -4.23 -1.26 0.15 115.64 107.99 2weh s THR 169 Ca -0.11 -2.33 -0.33 0.00 -1.18 0.00 0.00 61.69 57.74 2weh s THR 169 Cb 0.18 -2.25 -0.14 0.00 1.34 0.00 0.00 72.50 71.63 2weh s THR 169 CO 0.79 -0.38 1.43 1.17 -0.54 0.00 0.00 174.62 177.09 2weh n LYS 170 N -0.47 1.89 0.00 3.99 4.81 -0.20 -1.67 118.16 126.51 2weh n LYS 170 Ca -0.06 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2weh n LYS 170 Cb 0.59 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2weh n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2weh n GLY 171 N 2.61 1.79 3.78 3.14 0.00 0.22 -4.54 105.19 112.18 2weh n GLY 171 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2weh n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2weh s LYS 172 N -0.68 4.60 0.18 1.61 1.02 -0.67 -4.88 119.74 120.92 2weh s LYS 172 Ca 0.00 1.37 0.01 0.00 0.02 0.00 0.00 55.97 57.38 2weh s LYS 172 Cb 0.00 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 2weh s LYS 172 CO 0.00 0.29 0.02 -1.54 -0.92 0.00 0.00 175.35 173.19 2weh s SER 173 N -1.54 1.12 -0.09 2.83 1.04 -1.26 -0.96 113.70 114.84 2weh s SER 173 Ca 0.49 -1.20 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 2weh s SER 173 Cb -0.20 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.10 2weh s SER 173 CO 0.25 -0.60 0.41 0.00 0.98 0.00 0.00 173.24 174.29 2weh s ALA 174 N -3.70 -1.04 0.31 5.32 0.00 0.31 -4.91 121.76 118.05 2weh s ALA 174 Ca 0.25 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 2weh s ALA 174 Cb 0.06 -0.32 -0.12 0.00 0.00 0.00 0.00 23.12 22.74 2weh s ALA 174 CO 0.05 -0.25 1.39 -0.25 0.00 0.00 0.00 175.76 176.70 2weh n ASP 175 N 2.01 3.05 -2.90 0.00 8.00 -1.26 -0.50 116.55 124.94 2weh n ASP 175 Ca -0.17 1.18 -0.13 0.00 0.71 0.00 0.00 54.79 56.38 2weh n ASP 175 Cb 0.57 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.19 2weh n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2weh n PHE 176 N 1.04 -2.09 -3.08 1.24 7.35 -0.47 -4.70 117.46 116.75 2weh n PHE 176 Ca 0.07 -2.53 -0.26 0.00 -0.76 0.00 0.00 57.45 53.97 2weh n PHE 176 Cb 0.35 0.89 -0.01 0.00 0.35 0.00 0.00 39.48 41.06 2weh n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2weh s THR 177 N -0.25 5.02 -1.24 -2.13 -4.23 -1.26 -3.32 115.64 108.23 2weh s THR 177 Ca 0.31 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 2weh s THR 177 Cb 0.25 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2weh s THR 177 CO -0.15 -0.65 0.15 0.59 -0.54 0.00 0.00 174.62 174.02 2weh n ASN 178 N -1.89 -4.68 -4.78 3.99 4.13 -1.26 -4.95 115.26 105.82 2weh n ASN 178 Ca -0.02 -0.08 -0.37 0.00 1.68 0.00 0.00 54.58 55.79 2weh n ASN 178 Cb 0.56 -3.72 -0.06 0.00 -1.54 0.00 0.00 39.78 35.01 2weh n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2weh s PHE 179 N -2.84 3.57 -0.36 3.10 5.36 -1.26 -5.02 117.98 120.53 2weh s PHE 179 Ca 0.07 0.74 -0.07 0.00 -0.96 0.00 0.00 56.93 56.72 2weh s PHE 179 Cb -0.03 -2.29 0.05 0.00 -0.34 0.00 0.00 43.02 40.41 2weh s PHE 179 CO 0.09 0.43 0.14 0.34 -1.46 0.00 0.00 175.22 174.77 2weh s ASP 180 N -0.22 5.37 0.00 6.13 -1.08 -1.26 -4.43 116.67 121.18 2weh s ASP 180 Ca 0.19 -1.30 0.20 0.00 -0.52 0.00 0.00 52.55 51.12 2weh s ASP 180 Cb -0.14 -1.89 1.08 0.00 -1.46 0.00 0.00 42.92 40.51 2weh s ASP 180 CO 0.07 -0.39 1.59 -0.81 0.52 0.00 0.00 175.17 176.16 2weh n PRO 181 N 4.81 0.43 0.25 4.34 -0.04 -1.26 -2.42 135.00 141.12 2weh n PRO 181 Ca -0.11 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 2weh n PRO 181 Cb 0.44 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.01 2weh n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2weh h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.95 114.38 114.11 2weh h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2weh h ARG 182 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2weh h ARG 182 CO 0.00 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 2weh n GLY 183 N -0.12 -0.58 0.09 0.04 0.00 -1.01 -3.05 105.19 100.55 2weh n GLY 183 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.05 2weh n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2weh n LEU 184 N -1.22 1.05 -4.78 0.99 4.77 -0.73 -4.13 117.00 112.95 2weh n LEU 184 Ca 0.06 -0.55 -0.37 0.00 -0.03 0.00 0.00 56.01 55.12 2weh n LEU 184 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2weh n LEU 184 CO 0.08 0.24 0.69 -0.76 -1.33 0.00 0.00 177.39 176.31 2weh s LEU 185 N -2.73 4.24 0.96 2.23 1.43 -1.17 -4.90 118.68 118.74 2weh s LEU 185 Ca 0.09 1.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.96 2weh s LEU 185 Cb 0.14 -4.11 0.18 0.00 0.03 0.00 0.00 46.19 42.43 2weh s LEU 185 CO 0.69 -0.26 1.22 -2.16 0.23 0.00 0.00 176.35 176.07 2weh s PRO 186 N -2.29 0.70 0.06 1.29 0.04 -1.26 -5.01 135.00 128.52 2weh s PRO 186 Ca 0.54 -0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.30 2weh s PRO 186 Cb -0.20 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 2weh s PRO 186 CO 0.25 -2.42 1.36 0.93 0.04 0.00 0.00 177.00 177.15 2weh h GLU 187 N -1.65 0.47 -6.60 4.56 5.08 -1.92 -3.44 114.58 111.07 2weh h GLU 187 Ca -0.46 -0.26 -0.51 0.00 -1.00 0.00 0.00 59.36 57.13 2weh h GLU 187 Cb 1.29 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2weh h GLU 187 CO 0.48 0.83 0.00 0.45 -1.00 0.00 0.00 179.01 179.78 2weh s SER 188 N -6.29 6.70 -0.11 1.42 0.15 -1.26 -4.99 113.70 109.32 2weh s SER 188 Ca -0.14 1.11 0.14 0.00 0.70 0.00 0.00 55.95 57.77 2weh s SER 188 Cb 0.06 -2.30 0.45 0.00 -1.71 0.00 0.00 66.02 62.52 2weh s SER 188 CO 0.78 -0.15 1.36 0.18 1.20 0.00 0.00 173.24 176.61 2weh n LEU 189 N -0.28 3.55 -4.71 3.45 4.77 -1.26 -4.75 117.00 117.76 2weh n LEU 189 Ca 0.02 -2.63 -0.41 0.00 -0.03 0.00 0.00 56.01 52.96 2weh n LEU 189 Cb 0.53 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2weh n LEU 189 CO 0.43 0.69 0.93 0.47 -1.33 0.00 0.00 177.39 178.59 2weh n ASP 190 N -0.11 2.83 -3.77 -1.43 8.00 -1.26 -4.83 116.55 115.98 2weh n ASP 190 Ca 0.18 1.16 -0.10 0.00 0.71 0.00 0.00 54.79 56.73 2weh n ASP 190 Cb 0.72 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.24 2weh n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2weh s TYR 191 N -1.16 -0.01 0.03 1.24 -0.85 -1.26 -1.25 117.35 114.09 2weh s TYR 191 Ca 0.58 -0.34 -0.01 0.00 -0.52 0.00 0.00 57.07 56.79 2weh s TYR 191 Cb -0.52 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 2weh s TYR 191 CO 0.60 -0.59 0.15 -1.58 -1.52 0.00 0.00 175.55 172.61 2weh s TRP 192 N -3.63 3.43 -0.00 -3.49 0.51 -0.30 -0.33 118.94 115.12 2weh s TRP 192 Ca 0.03 0.25 0.00 0.00 -2.12 0.00 0.00 56.10 54.26 2weh s TRP 192 Cb 0.03 -1.76 0.00 0.00 -0.81 0.00 0.00 33.47 30.93 2weh s TRP 192 CO -0.10 0.59 -0.01 -0.08 -0.51 0.00 0.00 176.95 176.83 2weh s THR 193 N -1.36 0.12 0.10 2.01 -1.32 -0.05 -0.62 115.64 114.52 2weh s THR 193 Ca 0.29 -0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.50 2weh s THR 193 Cb -0.13 -0.12 0.05 0.00 -1.51 0.00 0.00 72.50 70.80 2weh s THR 193 CO 0.21 0.04 0.52 -0.72 -2.21 0.00 0.00 174.62 172.46 2weh s TYR 194 N 0.02 -0.42 0.07 9.09 1.13 -1.11 -0.85 117.35 125.29 2weh s TYR 194 Ca 0.00 0.29 -0.24 0.00 -1.41 0.00 0.00 57.07 55.71 2weh s TYR 194 Cb -0.01 0.40 -0.06 0.00 -1.10 0.00 0.00 41.96 41.18 2weh s TYR 194 CO -0.00 -0.73 0.75 -1.25 -2.51 0.00 0.00 175.55 171.80 2weh s PRO 195 N -3.22 4.49 0.00 -3.49 0.04 -1.26 -0.46 135.00 131.10 2weh s PRO 195 Ca -0.01 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2weh s PRO 195 Cb -0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2weh s PRO 195 CO -0.08 0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.75 2weh n GLY 196 N 2.16 4.47 3.20 0.56 0.00 0.28 -4.79 105.19 111.07 2weh n GLY 196 Ca -0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2weh n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weh s SER 197 N 1.57 0.23 0.45 1.61 1.04 -1.12 -2.56 113.70 114.91 2weh s SER 197 Ca 0.00 -1.16 -0.23 0.00 0.48 0.00 0.00 55.95 55.05 2weh s SER 197 Cb 0.00 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 2weh s SER 197 CO 0.00 -0.78 0.81 0.18 0.98 0.00 0.00 173.24 174.43 2weh n LEU 198 N -0.15 1.70 -1.04 2.42 4.32 -0.59 -4.54 117.00 119.12 2weh n LEU 198 Ca -0.05 0.94 0.11 0.00 -0.02 0.00 0.00 56.01 56.99 2weh n LEU 198 Cb 0.64 -1.26 0.19 0.00 -1.62 0.00 0.00 43.42 41.37 2weh n LEU 198 CO 0.29 -2.12 0.67 0.35 -1.22 0.00 0.00 177.39 175.36 2weh n THR 199 N -0.84 0.50 -4.45 -5.08 -2.24 -1.26 -4.39 114.28 96.52 2weh n THR 199 Ca 0.11 -0.75 -0.25 0.00 -2.27 0.00 0.00 64.05 60.89 2weh n THR 199 Cb 0.41 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 2weh n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2weh s THR 200 N -1.39 2.50 0.41 4.28 -4.23 -1.26 -4.68 115.64 111.28 2weh s THR 200 Ca 0.35 -2.29 -0.24 0.00 -1.18 0.00 0.00 61.69 58.33 2weh s THR 200 Cb 0.20 -2.29 -0.11 0.00 1.34 0.00 0.00 72.50 71.65 2weh s THR 200 CO 0.28 -0.33 0.90 -2.65 -0.54 0.00 0.00 174.62 172.29 2weh n PRO 201 N -0.41 1.15 0.00 3.99 -0.02 -1.26 -0.05 135.00 138.40 2weh n PRO 201 Ca -0.07 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 2weh n PRO 201 Cb 0.59 -1.91 0.21 0.00 -0.02 0.00 0.00 33.50 32.38 2weh n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2weh n PRO 202 N 0.24 0.82 -2.21 0.52 -0.04 -1.26 -5.01 135.00 128.06 2weh n PRO 202 Ca 0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 2weh n PRO 202 Cb 0.39 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 2weh n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2weh n LEU 203 N -0.64 -1.45 -4.68 1.53 4.77 0.93 -4.90 117.00 112.56 2weh n LEU 203 Ca 0.05 0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.79 2weh n LEU 203 Cb 0.02 -2.49 0.02 0.00 -2.33 0.00 0.00 43.42 38.64 2weh n LEU 203 CO 0.04 -0.32 0.81 0.18 -1.33 0.00 0.00 177.39 176.77 2weh n LEU 204 N -2.72 3.92 -3.95 2.23 4.77 -1.26 -4.53 117.00 115.46 2weh n LEU 204 Ca -0.19 1.06 -0.43 0.00 -0.03 0.00 0.00 56.01 56.42 2weh n LEU 204 Cb 0.62 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.25 2weh n LEU 204 CO 0.23 -0.89 1.30 -0.62 -1.33 0.00 0.00 177.39 176.09 2weh n GLU 205 N -0.15 4.42 -0.06 3.23 1.02 -1.26 -1.54 120.64 126.30 2weh n GLU 205 Ca 0.08 -4.39 0.01 0.00 -0.02 0.00 0.00 57.16 52.85 2weh n GLU 205 Cb 0.41 -2.58 0.02 0.00 -0.02 0.00 0.00 31.44 29.27 2weh n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2weh s VAL 207 N -0.84 2.58 -0.33 0.00 1.01 -1.06 -0.13 120.40 121.62 2weh s VAL 207 Ca 0.04 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2weh s VAL 207 Cb 0.04 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2weh s VAL 207 CO 0.00 0.57 0.44 -0.89 0.00 0.00 0.00 175.10 175.23 2weh s THR 208 N -0.34 5.09 -0.04 3.92 2.01 -0.36 1.00 115.64 126.93 2weh s THR 208 Ca 0.02 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 2weh s THR 208 Cb -0.12 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2weh s THR 208 CO 0.02 -0.12 0.42 0.26 -0.69 0.00 0.00 174.62 174.52 2weh s TRP 209 N 2.22 3.66 -0.30 4.92 0.52 0.40 -2.41 118.94 127.94 2weh s TRP 209 Ca 0.16 0.95 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 2weh s TRP 209 Cb -0.16 -2.36 0.10 0.00 -1.15 0.00 0.00 33.47 29.90 2weh s TRP 209 CO 0.12 0.50 0.09 0.42 0.02 0.00 0.00 176.95 178.10 2weh s ILE 210 N -0.57 0.99 -0.23 2.03 1.01 -0.13 -2.73 121.20 121.57 2weh s ILE 210 Ca 0.24 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 2weh s ILE 210 Cb -0.16 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 2weh s ILE 210 CO 0.12 -0.63 -0.03 -0.69 0.00 0.00 0.00 174.94 173.72 2weh s VAL 211 N 1.56 3.47 0.27 2.92 1.01 0.21 0.05 120.40 129.90 2weh s VAL 211 Ca 0.09 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 2weh s VAL 211 Cb -0.17 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 2weh s VAL 211 CO -0.22 0.38 1.17 -0.76 0.00 0.00 0.00 175.10 175.66 2weh s LEU 212 N 1.49 4.50 0.12 3.92 1.43 -0.39 -1.15 118.68 128.60 2weh s LEU 212 Ca 0.05 2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 2weh s LEU 212 Cb -0.15 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 2weh s LEU 212 CO -0.02 -0.28 1.40 0.50 0.23 0.00 0.00 176.35 178.18 2weh h LYS 213 N 4.03 0.84 -5.77 1.70 3.64 -1.52 -3.42 116.57 116.07 2weh h LYS 213 Ca -0.47 -0.51 -0.60 0.00 -1.27 0.00 0.00 60.65 57.80 2weh h LYS 213 Cb 1.22 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 2weh h LYS 213 CO 0.68 1.14 0.40 -2.00 -2.27 0.00 0.00 179.45 177.40 2weh s GLU 214 N -4.18 3.98 0.69 1.90 2.12 -1.26 -5.02 118.70 116.94 2weh s GLU 214 Ca -0.11 0.61 -0.13 0.00 0.36 0.00 0.00 54.97 55.70 2weh s GLU 214 Cb 0.10 -3.72 0.01 0.00 0.26 0.00 0.00 34.13 30.78 2weh s GLU 214 CO 0.88 -0.66 1.08 -2.14 -0.54 0.00 0.00 175.26 173.87 2weh s PRO 215 N 2.94 2.76 0.22 4.30 0.02 -1.26 -4.70 135.00 139.27 2weh s PRO 215 Ca 0.32 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.51 2weh s PRO 215 Cb -0.14 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2weh s PRO 215 CO 0.12 -1.25 0.41 0.96 -0.33 0.00 0.00 177.00 176.91 2weh s ILE 216 N -2.72 5.18 0.10 2.83 -4.36 -0.08 -4.87 121.20 117.28 2weh s ILE 216 Ca 0.62 -0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.72 2weh s ILE 216 Cb -0.17 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.76 2weh s ILE 216 CO 0.49 -0.20 0.06 -0.94 0.24 0.00 0.00 174.94 174.59 2weh s SER 217 N -3.21 5.37 0.20 4.36 1.04 -1.26 -1.31 113.70 118.89 2weh s SER 217 Ca 0.39 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.76 2weh s SER 217 Cb -0.11 -1.39 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 2weh s SER 217 CO 0.29 0.16 0.00 0.68 0.98 0.00 0.00 173.24 175.35 2weh s VAL 218 N -1.43 0.80 0.52 5.02 -7.23 0.55 -3.46 120.40 115.18 2weh s VAL 218 Ca 0.29 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2weh s VAL 218 Cb -0.12 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2weh s VAL 218 CO 0.21 -0.41 0.81 -0.94 -0.31 0.00 0.00 175.10 174.46 2weh s SER 219 N -3.22 5.86 0.24 4.85 1.04 -1.18 0.17 113.70 121.46 2weh s SER 219 Ca 0.26 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.32 2weh s SER 219 Cb 0.06 -1.84 0.39 0.00 0.10 0.00 0.00 66.02 64.72 2weh s SER 219 CO 0.06 -0.82 1.79 -1.28 0.98 0.00 0.00 173.24 173.97 2weh h SER 220 N 0.09 0.58 0.11 7.02 0.87 -1.93 -2.01 113.55 118.29 2weh h SER 220 Ca -0.46 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.01 2weh h SER 220 Cb 1.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2weh h SER 220 CO 0.60 0.33 -0.53 -0.33 -0.53 0.00 0.00 176.83 176.37 2weh h GLU 221 N 0.70 0.46 0.60 2.24 3.07 -1.95 -0.87 114.58 118.84 2weh h GLU 221 Ca 0.38 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2weh h GLU 221 Cb 0.39 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2weh h GLU 221 CO -0.26 0.88 -0.50 1.96 -1.40 0.00 0.00 179.01 179.68 2weh h GLN 222 N 0.35 -1.03 0.00 2.33 4.20 -1.84 -2.08 115.11 117.04 2weh h GLN 222 Ca 0.01 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2weh h GLN 222 Cb 1.05 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2weh h GLN 222 CO 0.09 -0.69 -0.19 -0.24 -0.67 0.00 0.00 178.83 177.14 2weh h VAL 223 N -1.07 0.93 -0.62 -0.54 3.04 -1.29 -1.82 116.25 114.88 2weh h VAL 223 Ca -0.08 -0.70 0.01 0.00 -1.01 0.00 0.00 66.70 64.93 2weh h VAL 223 Cb 0.91 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.55 2weh h VAL 223 CO -0.01 0.19 0.40 0.25 -1.01 0.00 0.00 177.57 177.39 2weh h LEU 224 N 0.00 0.69 -1.20 3.16 5.85 -1.09 -2.24 115.31 120.49 2weh h LEU 224 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2weh h LEU 224 Cb 0.38 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2weh h LEU 224 CO 0.02 0.50 0.39 0.11 -0.34 0.00 0.00 178.44 179.12 2weh h LYS 225 N 0.82 0.94 -0.65 1.25 1.57 -0.60 -2.36 116.57 117.55 2weh h LYS 225 Ca 0.23 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 2weh h LYS 225 Cb -0.07 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 31.98 2weh h LYS 225 CO -0.06 0.68 0.28 0.74 -0.57 0.00 0.00 179.45 180.51 2weh h PHE 226 N 0.95 0.49 0.00 -1.35 -1.00 -1.27 -2.91 116.94 111.85 2weh h PHE 226 Ca 0.25 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.06 2weh h PHE 226 Cb -0.00 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.43 2weh h PHE 226 CO 0.00 0.15 0.00 0.54 -1.61 0.00 0.00 178.31 177.40 2weh n ARG 227 N -4.94 0.01 0.00 1.51 1.74 -0.89 -2.35 116.66 111.73 2weh n ARG 227 Ca 0.10 0.22 0.13 0.00 -0.77 0.00 0.00 57.85 57.53 2weh n ARG 227 Cb 0.27 -1.52 0.43 0.00 -1.02 0.00 0.00 32.46 30.62 2weh n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2weh n LYS 228 N -1.54 0.16 -1.00 5.56 5.02 -1.10 -4.31 118.16 120.95 2weh n LYS 228 Ca 0.04 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 2weh n LYS 228 Cb 0.20 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.84 2weh n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2weh s LEU 229 N -2.88 2.94 -0.05 -0.35 1.43 -0.99 -4.84 118.68 113.94 2weh s LEU 229 Ca 0.16 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.29 2weh s LEU 229 Cb 0.18 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2weh s LEU 229 CO 0.60 -2.53 -0.18 0.20 0.23 0.00 0.00 176.35 174.68 2weh s ASN 230 N -3.07 3.73 0.25 2.29 0.02 0.12 0.18 114.94 118.46 2weh s ASN 230 Ca 0.64 -0.29 0.08 0.00 -1.02 0.00 0.00 52.86 52.27 2weh s ASN 230 Cb -0.20 -0.75 0.28 0.00 0.02 0.00 0.00 41.25 40.60 2weh s ASN 230 CO 0.57 0.33 1.57 -0.26 0.02 0.00 0.00 177.10 179.33 2weh h PHE 231 N 5.48 0.10 -3.78 2.20 0.04 -1.57 -3.35 116.94 116.07 2weh h PHE 231 Ca -0.44 -0.04 -0.47 0.00 2.80 0.00 0.00 57.97 59.82 2weh h PHE 231 Cb 1.15 -0.02 0.07 0.00 2.20 0.00 0.00 35.95 39.35 2weh h PHE 231 CO 0.47 0.70 0.22 0.54 -0.60 0.00 0.00 178.31 179.64 2weh s ASN 232 N -6.86 5.11 0.53 2.17 4.22 -1.26 -4.43 114.94 114.42 2weh s ASN 232 Ca -0.02 0.59 -0.04 0.00 -2.14 0.00 0.00 52.86 51.25 2weh s ASN 232 Cb 0.12 -1.36 -0.00 0.00 1.28 0.00 0.00 41.25 41.29 2weh s ASN 232 CO 0.78 -1.41 0.82 -0.83 -2.04 0.00 0.00 177.10 174.42 2weh s GLY 233 N -4.44 1.58 0.49 0.45 0.00 -1.26 -1.04 107.32 103.10 2weh s GLY 233 Ca 0.58 -0.78 -0.23 0.00 0.00 0.00 0.00 44.72 44.29 2weh s GLY 233 CO 0.45 -0.55 1.25 -2.21 0.00 0.00 0.00 173.10 172.05 2weh n GLU 234 N -2.39 1.70 -1.01 2.90 2.13 -1.26 -1.40 120.64 121.31 2weh n GLU 234 Ca 0.03 0.61 -0.00 0.00 0.66 0.00 0.00 57.16 58.46 2weh n GLU 234 Cb 0.57 -2.41 -0.00 0.00 0.27 0.00 0.00 31.44 29.87 2weh n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2weh n GLY 235 N 0.87 0.30 3.92 8.31 0.00 -1.26 -5.02 105.19 112.30 2weh n GLY 235 Ca 0.09 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2weh n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2weh s GLU 236 N -0.99 3.03 0.40 1.61 2.02 -0.49 -5.09 118.70 119.20 2weh s GLU 236 Ca 0.00 -1.05 -0.27 0.00 0.02 0.00 0.00 54.97 53.67 2weh s GLU 236 Cb 0.00 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 2weh s GLU 236 CO 0.00 0.20 1.46 -2.14 0.02 0.00 0.00 175.26 174.80 2weh s PRO 237 N -4.03 3.95 -0.24 0.39 0.02 -1.26 -4.91 135.00 128.93 2weh s PRO 237 Ca 0.40 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.62 2weh s PRO 237 Cb -0.08 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2weh s PRO 237 CO 0.28 -0.63 1.12 -2.00 -0.33 0.00 0.00 177.00 175.44 2weh s GLU 238 N -2.23 4.19 -0.23 5.54 2.12 -1.26 -4.77 118.70 122.07 2weh s GLU 238 Ca 0.56 1.37 -0.02 0.00 0.36 0.00 0.00 54.97 57.24 2weh s GLU 238 Cb -0.45 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.25 2weh s GLU 238 CO 0.60 -0.74 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.30 2weh s GLU 239 N 3.43 3.04 0.42 4.30 2.02 -1.26 -5.06 118.70 125.59 2weh s GLU 239 Ca 0.48 -0.84 -0.25 0.00 0.02 0.00 0.00 54.97 54.38 2weh s GLU 239 Cb -0.16 -2.94 -0.08 0.00 0.10 0.00 0.00 34.13 31.04 2weh s GLU 239 CO 0.11 -0.31 1.29 -0.51 0.02 0.00 0.00 175.26 175.86 2weh s LEU 240 N 1.37 4.16 -0.92 1.80 1.43 -1.26 -1.70 118.68 123.57 2weh s LEU 240 Ca 0.03 2.61 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 2weh s LEU 240 Cb -0.15 -3.97 0.06 0.00 0.03 0.00 0.00 46.19 42.15 2weh s LEU 240 CO -0.05 -0.91 1.33 -0.32 0.23 0.00 0.00 176.35 176.63 2weh s MET 241 N -2.34 3.48 0.08 1.70 -2.45 0.48 -4.55 119.30 115.69 2weh s MET 241 Ca 0.59 -1.04 -0.01 0.00 -1.25 0.00 0.00 55.69 53.98 2weh s MET 241 Cb -0.37 -4.97 -0.04 0.00 1.25 0.00 0.00 34.83 30.70 2weh s MET 241 CO 0.47 -2.09 -0.00 0.14 1.05 0.00 0.00 175.02 174.58 2weh s VAL 242 N 4.67 0.18 -1.47 10.11 -7.23 -1.26 -4.47 120.40 120.92 2weh s VAL 242 Ca 0.40 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 2weh s VAL 242 Cb -0.04 -1.70 0.05 0.00 0.56 0.00 0.00 36.38 35.26 2weh s VAL 242 CO -0.04 -0.82 0.71 0.47 -0.31 0.00 0.00 175.10 175.12 2weh n ASP 243 N 0.04 -2.32 -3.38 4.85 8.00 -0.20 -4.85 116.55 118.69 2weh n ASP 243 Ca -0.11 -0.90 -0.39 0.00 0.71 0.00 0.00 54.79 54.10 2weh n ASP 243 Cb 0.62 -3.47 -0.01 0.00 -0.02 0.00 0.00 41.12 38.24 2weh n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2weh n ASN 244 N -2.90 7.76 -4.08 -2.24 6.94 -1.13 -4.92 115.26 114.68 2weh n ASN 244 Ca -0.14 -3.25 -0.20 0.00 -0.02 0.00 0.00 54.58 50.98 2weh n ASN 244 Cb 0.60 -1.31 -0.14 0.00 -2.36 0.00 0.00 39.78 36.57 2weh n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2weh s TRP 245 N -1.77 1.04 0.03 -2.53 1.48 -1.26 -4.53 118.94 111.40 2weh s TRP 245 Ca 0.52 -0.26 -0.17 0.00 -1.06 0.00 0.00 56.10 55.13 2weh s TRP 245 Cb 0.21 -0.65 -0.06 0.00 -1.16 0.00 0.00 33.47 31.82 2weh s TRP 245 CO -0.12 -0.00 0.50 0.50 -4.06 0.00 0.00 176.95 173.76 2weh s ARG 246 N -0.62 4.09 0.89 3.25 3.52 -1.26 -4.98 118.95 123.85 2weh s ARG 246 Ca 0.03 0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 56.09 2weh s ARG 246 Cb -0.06 -3.24 0.13 0.00 -1.56 0.00 0.00 34.95 30.22 2weh s ARG 246 CO 0.00 0.63 1.13 -1.25 -0.81 0.00 0.00 175.30 175.01 2weh s PRO 247 N -0.98 1.30 0.24 5.12 0.04 -1.26 -4.60 135.00 134.86 2weh s PRO 247 Ca 0.27 0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.32 2weh s PRO 247 Cb -0.18 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 2weh s PRO 247 CO 0.16 -2.09 1.50 0.00 0.04 0.00 0.00 177.00 176.61 2weh n ALA 248 N -3.70 1.61 -2.82 8.56 0.00 -1.26 -4.34 120.51 118.56 2weh n ALA 248 Ca 0.07 0.41 -0.25 0.00 0.00 0.00 0.00 53.44 53.66 2weh n ALA 248 Cb 0.59 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 2weh n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2weh s GLN 249 N -0.15 2.95 0.14 0.00 -1.52 0.45 -4.93 119.66 116.60 2weh s GLN 249 Ca 0.69 -0.89 -0.35 0.00 -1.95 0.00 0.00 55.36 52.86 2weh s GLN 249 Cb -0.61 -2.65 -0.15 0.00 -0.22 0.00 0.00 33.01 29.38 2weh s GLN 249 CO 0.47 0.47 1.47 -2.30 -0.25 0.00 0.00 175.29 175.14 2weh n PRO 250 N -0.57 1.76 0.08 2.91 -0.02 -1.26 -4.60 135.00 133.29 2weh n PRO 250 Ca -0.08 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 2weh n PRO 250 Cb 0.55 -2.34 0.28 0.00 -0.02 0.00 0.00 33.50 31.97 2weh n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2weh h LEU 251 N 5.27 0.31 0.00 2.45 5.85 -1.95 -3.44 115.31 123.80 2weh h LEU 251 Ca -0.46 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2weh h LEU 251 Cb 1.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2weh h LEU 251 CO 0.84 0.56 0.00 0.29 -0.34 0.00 0.00 178.44 179.79 2weh n LYS 252 N -4.15 0.00 -2.24 1.25 5.02 -1.26 -3.39 118.16 113.38 2weh n LYS 252 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 2weh n LYS 252 Cb 0.37 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.39 2weh n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2weh n ASN 253 N 3.37 7.54 -4.07 4.39 5.03 -1.26 -4.90 115.26 125.35 2weh n ASN 253 Ca 0.00 -3.49 -0.13 0.00 0.87 0.00 0.00 54.58 51.84 2weh n ASN 253 Cb 0.00 -1.23 -0.11 0.00 -1.02 0.00 0.00 39.78 37.42 2weh n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2weh s ARG 254 N -3.04 0.56 -0.12 3.52 0.52 -1.22 -5.12 118.95 114.06 2weh s ARG 254 Ca 0.47 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2weh s ARG 254 Cb 0.24 -0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.41 2weh s ARG 254 CO -0.16 0.04 -0.17 -1.14 0.02 0.00 0.00 175.30 173.89 2weh s GLN 255 N -1.78 3.22 -0.17 3.54 0.74 -1.26 -5.04 119.66 118.91 2weh s GLN 255 Ca -0.08 -0.75 -0.26 0.00 0.05 0.00 0.00 55.36 54.32 2weh s GLN 255 Cb -0.09 -2.50 -0.01 0.00 1.10 0.00 0.00 33.01 31.51 2weh s GLN 255 CO -0.00 0.22 0.85 0.42 -0.55 0.00 0.00 175.29 176.23 2weh s ILE 256 N 0.29 4.87 -0.08 -2.34 1.01 -1.26 -4.72 121.20 118.97 2weh s ILE 256 Ca -0.13 1.66 -0.04 0.00 0.00 0.00 0.00 60.65 62.15 2weh s ILE 256 Cb -0.16 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2weh s ILE 256 CO 0.07 0.01 0.09 -0.54 0.00 0.00 0.00 174.94 174.57 2weh s LYS 257 N 2.22 3.24 0.00 2.79 1.02 -0.03 -1.80 119.74 127.18 2weh s LYS 257 Ca 0.39 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.09 2weh s LYS 257 Cb -0.16 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 2weh s LYS 257 CO 0.12 0.73 0.07 0.00 -0.92 0.00 0.00 175.35 175.35 2weh s ALA 258 N -1.03 3.54 -1.97 5.17 0.00 0.37 -0.87 121.76 126.97 2weh s ALA 258 Ca 0.17 -0.89 0.29 0.00 0.00 0.00 0.00 51.96 51.52 2weh s ALA 258 Cb -0.12 -1.54 1.29 0.00 0.00 0.00 0.00 23.12 22.76 2weh s ALA 258 CO 0.06 0.69 1.89 -1.13 0.00 0.00 0.00 175.76 177.27 2weh n SER 259 N 1.15 0.70 -3.91 0.00 3.41 0.56 -1.47 113.62 114.05 2weh n SER 259 Ca -0.13 -0.95 -0.09 0.00 -0.26 0.00 0.00 58.87 57.44 2weh n SER 259 Cb 0.53 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 2weh n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2weh s PHE 260 N -2.24 0.29 -0.21 7.33 -0.71 -1.26 -4.88 117.98 116.30 2weh s PHE 260 Ca 0.35 -0.68 0.02 0.00 -1.04 0.00 0.00 56.93 55.57 2weh s PHE 260 Cb 0.21 -0.07 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 2weh s PHE 260 CO 0.42 -0.63 0.55 0.36 -1.34 0.00 0.00 175.22 174.57