#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3w n PRO 12 N 0.00 1.58 -2.09 -1.08 -0.02 -1.26 -4.92 135.00 127.21 1r3w n PRO 12 Ca 0.00 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1r3w n PRO 12 Cb 0.00 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 1r3w n PRO 12 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1r3w s GLU 13 N -2.70 4.33 0.09 -0.52 2.12 -1.26 -4.50 118.70 116.26 1r3w s GLU 13 Ca 0.70 2.24 -0.31 0.00 0.36 0.00 0.00 54.97 57.97 1r3w s GLU 13 Cb -0.44 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 1r3w s GLU 13 CO 0.51 -0.24 1.34 -1.17 -0.54 0.00 0.00 175.26 175.15 1r3w s LEU 14 N -1.55 4.37 -0.22 2.70 2.96 -1.26 -4.31 118.68 121.37 1r3w s LEU 14 Ca 0.51 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 56.45 1r3w s LEU 14 Cb -0.40 -3.58 -0.17 0.00 0.50 0.00 0.00 46.19 42.53 1r3w s LEU 14 CO 0.52 -0.61 0.07 0.29 -1.32 0.00 0.00 176.35 175.30 1r3w n LYS 15 N 4.02 0.57 -3.71 1.98 5.02 0.87 -4.80 118.16 122.11 1r3w n LYS 15 Ca 0.11 0.50 -0.38 0.00 -2.02 0.00 0.00 58.31 56.52 1r3w n LYS 15 Cb 0.43 -1.69 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 1r3w n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1r3w s ASN 16 N -6.98 5.40 -0.19 4.39 2.47 -1.12 -4.94 114.94 113.96 1r3w s ASN 16 Ca -0.31 -1.63 0.16 0.00 0.42 0.00 0.00 52.86 51.50 1r3w s ASN 16 Cb 0.08 -1.89 0.62 0.00 -1.45 0.00 0.00 41.25 38.61 1r3w s ASN 16 CO 0.56 -0.50 1.52 -0.90 -3.72 0.00 0.00 177.10 174.07 1r3w n ASP 17 N 4.77 4.45 -0.25 -4.21 5.75 -1.26 -4.15 116.55 121.65 1r3w n ASP 17 Ca -0.08 -2.94 0.01 0.00 -0.01 0.00 0.00 54.79 51.77 1r3w n ASP 17 Cb 0.42 -0.58 0.14 0.00 -1.03 0.00 0.00 41.12 40.07 1r3w n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1r3w h THR 18 N 2.56 0.89 -0.81 2.12 2.02 -1.92 -1.09 112.91 116.68 1r3w h THR 18 Ca 0.00 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1r3w h THR 18 Cb 1.59 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1r3w h THR 18 CO 0.30 0.12 0.51 0.15 0.37 0.00 0.00 175.52 176.97 1r3w h PHE 19 N 0.67 0.96 -0.16 3.16 3.57 -1.85 -0.88 116.94 122.41 1r3w h PHE 19 Ca 0.35 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 1r3w h PHE 19 Cb 0.32 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1r3w h PHE 19 CO -0.09 0.53 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.28 1r3w h LEU 20 N 0.98 0.43 -0.50 0.59 3.38 -1.59 -1.27 115.31 117.33 1r3w h LEU 20 Ca 0.33 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1r3w h LEU 20 Cb 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1r3w h LEU 20 CO -0.13 0.84 0.23 0.03 0.09 0.00 0.00 178.44 179.50 1r3w h ARG 21 N 0.04 0.43 -0.88 1.13 3.08 -1.06 -1.63 114.38 115.50 1r3w h ARG 21 Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1r3w h ARG 21 Cb 0.72 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 1r3w h ARG 21 CO 0.04 0.29 0.49 0.00 -1.07 0.00 0.00 179.97 179.72 1r3w h ALA 22 N 1.29 1.12 -0.62 0.04 0.00 -1.14 -0.74 119.26 119.22 1r3w h ALA 22 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1r3w h ALA 22 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1r3w h ALA 22 CO -0.19 0.63 0.29 0.00 0.00 0.00 0.00 179.25 179.98 1r3w h ALA 23 N 1.26 1.34 -0.00 0.00 0.00 -0.44 -1.03 119.26 120.39 1r3w h ALA 23 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1r3w h ALA 23 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1r3w h ALA 23 CO -0.05 0.51 -0.04 0.91 0.00 0.00 0.00 179.25 180.58 1r3w n TRP 24 N -4.35 0.00 -0.40 0.00 7.02 -0.69 -4.61 117.44 114.42 1r3w n TRP 24 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1r3w n TRP 24 Cb 0.14 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.76 1r3w n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r3w n GLY 25 N 1.29 0.77 3.86 6.99 0.00 -0.39 -5.03 105.19 112.69 1r3w n GLY 25 Ca 0.14 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1r3w n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3w s GLU 26 N -0.74 3.83 0.36 1.61 2.02 -0.33 -4.68 118.70 120.77 1r3w s GLU 26 Ca 0.00 0.63 -0.27 0.00 0.02 0.00 0.00 54.97 55.35 1r3w s GLU 26 Cb 0.00 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 1r3w s GLU 26 CO 0.00 -0.13 1.23 -1.21 0.02 0.00 0.00 175.26 175.17 1r3w s GLU 27 N -3.96 4.22 0.18 1.61 0.41 -1.26 -4.26 118.70 115.63 1r3w s GLU 27 Ca 0.54 2.02 0.03 0.00 -0.41 0.00 0.00 54.97 57.15 1r3w s GLU 27 Cb -0.10 -2.89 -0.05 0.00 -1.78 0.00 0.00 34.13 29.31 1r3w s GLU 27 CO 0.32 -0.24 -0.02 0.95 -0.49 0.00 0.00 175.26 175.78 1r3w s THR 28 N -1.26 0.84 -0.16 3.63 -4.23 -1.26 -4.92 115.64 108.28 1r3w s THR 28 Ca 0.53 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.31 1r3w s THR 28 Cb -0.35 -2.09 0.35 0.00 1.34 0.00 0.00 72.50 71.75 1r3w s THR 28 CO 0.46 -0.51 1.79 0.44 -0.54 0.00 0.00 174.62 176.25 1r3w h ASP 29 N 2.68 0.00 -5.22 3.99 3.32 -1.99 -3.45 116.42 115.75 1r3w h ASP 29 Ca -0.37 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 1r3w h ASP 29 Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 1r3w h ASP 29 CO 0.63 0.02 -0.07 -0.72 -1.72 0.00 0.00 179.24 177.38 1r3w s TYR 30 N -3.43 0.32 -0.20 4.55 -0.85 -1.26 -4.59 117.35 111.89 1r3w s TYR 30 Ca 0.04 -0.70 -0.18 0.00 -0.52 0.00 0.00 57.07 55.72 1r3w s TYR 30 Cb 0.07 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 1r3w s TYR 30 CO 0.61 -1.04 0.48 0.99 -1.52 0.00 0.00 175.55 175.07 1r3w s THR 31 N -3.93 5.13 0.51 -3.49 2.01 -1.26 -5.04 115.64 109.57 1r3w s THR 31 Ca 0.21 0.87 -0.18 0.00 0.31 0.00 0.00 61.69 62.90 1r3w s THR 31 Cb -0.01 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1r3w s THR 31 CO 0.09 0.20 1.01 -2.16 -0.69 0.00 0.00 174.62 173.07 1r3w s PRO 32 N 1.56 3.83 -0.01 4.92 0.04 -1.26 -4.58 135.00 139.50 1r3w s PRO 32 Ca 0.22 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1r3w s PRO 32 Cb -0.15 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1r3w s PRO 32 CO 0.09 -0.38 0.03 0.54 0.04 0.00 0.00 177.00 177.32 1r3w s VAL 33 N -2.34 0.00 0.25 -0.36 0.11 -1.26 -1.17 120.40 115.63 1r3w s VAL 33 Ca 0.63 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.60 1r3w s VAL 33 Cb -0.13 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1r3w s VAL 33 CO 0.26 -0.02 0.29 -1.66 -3.33 0.00 0.00 175.10 170.64 1r3w s TRP 34 N -0.05 0.98 -0.08 1.54 1.48 -1.06 -1.04 118.94 120.71 1r3w s TRP 34 Ca -0.01 -1.21 0.03 0.00 -1.06 0.00 0.00 56.10 53.85 1r3w s TRP 34 Cb -0.01 -0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.02 1r3w s TRP 34 CO 0.00 -0.83 -0.16 0.00 -4.06 0.00 0.00 176.95 171.90 1r3w n MET 36 N 3.72 2.56 -1.41 0.00 2.81 -1.26 -1.35 117.12 122.18 1r3w n MET 36 Ca -0.22 0.90 -0.14 0.00 -1.81 0.00 0.00 57.70 56.43 1r3w n MET 36 Cb 0.52 -2.61 -0.06 0.00 -0.71 0.00 0.00 33.22 30.37 1r3w n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1r3w n ARG 37 N 0.44 -1.23 -0.19 0.03 1.74 -1.26 -1.60 116.66 114.58 1r3w n ARG 37 Ca 0.02 0.98 0.23 0.00 -0.77 0.00 0.00 57.85 58.31 1r3w n ARG 37 Cb 0.38 -5.19 0.61 0.00 -1.02 0.00 0.00 32.46 27.24 1r3w n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1r3w h GLN 38 N 0.03 0.21 -5.25 5.56 3.07 -1.61 -2.59 115.11 114.54 1r3w h GLN 38 Ca -0.29 -0.01 -0.65 0.00 0.09 0.00 0.00 58.65 57.79 1r3w h GLN 38 Cb 1.05 -0.05 -0.16 0.00 0.08 0.00 0.00 27.48 28.40 1r3w h GLN 38 CO 0.42 0.14 0.37 0.00 0.09 0.00 0.00 178.83 179.85 1r3w s ALA 39 N -5.22 3.23 0.26 0.06 0.00 -1.26 -4.54 121.76 114.29 1r3w s ALA 39 Ca -0.07 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 49.85 1r3w s ALA 39 Cb 0.22 -3.69 0.05 0.00 0.00 0.00 0.00 23.12 19.70 1r3w s ALA 39 CO 0.77 -2.51 0.87 0.20 0.00 0.00 0.00 175.76 175.09 1r3w s GLY 40 N 3.41 0.03 0.30 0.00 0.00 -0.98 -5.05 107.32 105.04 1r3w s GLY 40 Ca 0.20 -0.32 0.24 0.00 0.00 0.00 0.00 44.72 44.84 1r3w s GLY 40 CO 0.11 0.35 1.72 3.21 0.00 0.00 0.00 173.10 178.49 1r3w h ARG 41 N 2.00 0.00 0.00 2.90 3.08 -1.89 -1.85 114.38 118.62 1r3w h ARG 41 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1r3w h ARG 41 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1r3w h ARG 41 CO 0.31 0.00 0.00 0.10 -1.07 0.00 0.00 179.97 179.31 1r3w h TYR 42 N 0.00 0.00 -3.49 3.04 -0.00 -1.78 -3.41 116.97 111.32 1r3w h TYR 42 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.12 1r3w h TYR 42 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 36.86 1r3w h TYR 42 CO 0.00 0.00 0.06 -0.51 -0.00 0.00 0.00 178.16 177.71 1r3w s LEU 43 N -5.98 4.09 0.27 0.10 1.43 -0.70 -4.47 118.68 113.42 1r3w s LEU 43 Ca -0.01 0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1r3w s LEU 43 Cb 0.10 -2.77 0.51 0.00 0.03 0.00 0.00 46.19 44.07 1r3w s LEU 43 CO 0.46 -0.28 1.82 -0.65 0.23 0.00 0.00 176.35 177.93 1r3w h PRO 44 N 7.75 0.88 0.00 1.29 0.11 -1.88 -1.42 132.00 138.73 1r3w h PRO 44 Ca -0.30 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1r3w h PRO 44 Cb 1.14 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1r3w h PRO 44 CO 0.75 0.58 -0.29 1.05 -0.21 0.00 0.00 178.00 179.88 1r3w h GLU 45 N 0.91 0.00 -0.28 1.05 9.09 -1.94 -1.69 114.58 121.72 1r3w h GLU 45 Ca 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.86 1r3w h GLU 45 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1r3w h GLU 45 CO -0.27 0.29 0.11 0.35 0.05 0.00 0.00 179.01 179.54 1r3w h PHE 46 N 0.00 0.43 -0.69 2.06 3.57 -1.52 -2.13 116.94 118.65 1r3w h PHE 46 Ca -0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1r3w h PHE 46 Cb 0.53 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1r3w h PHE 46 CO 0.00 0.43 0.34 0.00 -2.23 0.00 0.00 178.31 176.85 1r3w h ARG 47 N 0.30 0.99 -0.13 1.11 3.08 -1.10 -0.95 114.38 117.68 1r3w h ARG 47 Ca 0.09 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1r3w h ARG 47 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1r3w h ARG 47 CO -0.01 0.77 0.08 1.49 -1.07 0.00 0.00 179.97 181.23 1r3w h GLU 48 N 0.96 0.18 -0.49 0.04 4.81 -1.28 -0.55 114.58 118.25 1r3w h GLU 48 Ca 0.24 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1r3w h GLU 48 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1r3w h GLU 48 CO -0.03 0.17 0.07 1.79 -0.73 0.00 0.00 179.01 180.28 1r3w h THR 49 N 0.13 1.23 -0.02 0.32 1.35 -1.17 -2.64 112.91 112.12 1r3w h THR 49 Ca 0.05 -0.88 -0.10 0.00 -0.55 0.00 0.00 66.41 64.93 1r3w h THR 49 Cb 0.04 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1r3w h THR 49 CO -0.01 0.32 -0.44 0.03 -0.25 0.00 0.00 175.52 175.17 1r3w h ARG 50 N 0.74 0.04 0.00 4.72 2.47 -0.91 -3.16 114.38 118.28 1r3w h ARG 50 Ca 0.16 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1r3w h ARG 50 Cb 0.35 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1r3w h ARG 50 CO 0.01 0.48 -0.01 0.00 0.56 0.00 0.00 179.97 181.01 1r3w h ALA 51 N 1.52 1.73 -0.05 0.04 0.00 -0.71 -2.88 119.26 118.91 1r3w h ALA 51 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1r3w h ALA 51 Cb 0.80 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1r3w h ALA 51 CO 0.06 0.01 -0.51 0.00 0.00 0.00 0.00 179.25 178.81 1r3w h ALA 52 N 1.99 -0.84 -0.77 0.00 0.00 -1.65 -3.45 119.26 114.53 1r3w h ALA 52 Ca -0.00 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 54.24 1r3w h ALA 52 Cb 0.02 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1r3w h ALA 52 CO 0.00 -1.06 -0.43 -0.65 0.00 0.00 0.00 179.25 177.11 1r3w s GLN 53 N -5.78 2.22 0.72 0.00 1.11 -1.09 -5.14 119.66 111.71 1r3w s GLN 53 Ca -0.16 -2.11 -0.11 0.00 0.01 0.00 0.00 55.36 52.99 1r3w s GLN 53 Cb 0.07 -1.87 0.02 0.00 -1.01 0.00 0.00 33.01 30.23 1r3w s GLN 53 CO 0.62 -0.40 1.09 0.16 0.01 0.00 0.00 175.29 176.77 1r3w s ASP 54 N -4.04 5.25 0.11 5.90 -4.77 -1.26 -4.86 116.67 113.00 1r3w s ASP 54 Ca 0.26 1.24 -0.29 0.00 -3.30 0.00 0.00 52.55 50.46 1r3w s ASP 54 Cb 0.01 -2.05 -0.10 0.00 -1.09 0.00 0.00 42.92 39.69 1r3w s ASP 54 CO 0.15 -1.48 1.62 0.15 0.70 0.00 0.00 175.17 176.32 1r3w h PHE 55 N -0.75 -0.83 0.00 2.11 3.57 -1.91 -0.74 116.94 118.38 1r3w h PHE 55 Ca -0.45 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1r3w h PHE 55 Cb 1.25 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 1r3w h PHE 55 CO 0.51 -0.42 -0.20 0.74 -2.23 0.00 0.00 178.31 176.71 1r3w h PHE 56 N -0.57 0.00 -0.14 0.41 -1.00 -1.96 -2.11 116.94 111.58 1r3w h PHE 56 Ca 0.02 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.64 1r3w h PHE 56 Cb 0.57 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 1r3w h PHE 56 CO -0.25 0.20 -0.59 1.03 -1.61 0.00 0.00 178.31 177.10 1r3w h SER 57 N 0.00 0.51 -0.59 2.17 0.87 -1.82 -2.52 113.55 112.17 1r3w h SER 57 Ca -0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1r3w h SER 57 Cb 0.68 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1r3w h SER 57 CO 0.03 0.98 0.37 0.74 -0.53 0.00 0.00 176.83 178.41 1r3w h THR 58 N 0.34 1.17 0.00 2.23 2.02 -0.53 -2.60 112.91 115.53 1r3w h THR 58 Ca -0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1r3w h THR 58 Cb 1.12 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1r3w h THR 58 CO 0.10 0.17 -0.07 0.00 0.37 0.00 0.00 175.52 176.09 1r3w n ARG 60 N -4.03 1.73 -3.68 0.00 1.74 -0.97 -4.72 116.66 106.74 1r3w n ARG 60 Ca -0.03 -1.10 -0.39 0.00 -0.77 0.00 0.00 57.85 55.57 1r3w n ARG 60 Cb 0.15 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1r3w n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r3w s SER 61 N -1.66 5.49 0.26 0.55 0.15 -0.78 -4.97 113.70 112.74 1r3w s SER 61 Ca 0.34 -1.25 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 1r3w s SER 61 Cb 0.18 -1.93 0.50 0.00 -1.71 0.00 0.00 66.02 63.06 1r3w s SER 61 CO 0.28 -0.41 1.77 -0.65 1.20 0.00 0.00 173.24 175.43 1r3w h PRO 62 N 8.31 0.63 -0.52 5.44 0.11 -1.85 -1.09 132.00 143.03 1r3w h PRO 62 Ca -0.23 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1r3w h PRO 62 Cb 1.09 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1r3w h PRO 62 CO 0.66 0.41 0.06 0.93 -0.21 0.00 0.00 178.00 179.85 1r3w h GLU 63 N 0.64 0.88 -0.52 1.05 4.39 -1.94 -0.70 114.58 118.39 1r3w h GLU 63 Ca 0.45 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1r3w h GLU 63 Cb 0.59 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1r3w h GLU 63 CO -0.34 0.88 0.23 0.00 -1.16 0.00 0.00 179.01 178.62 1r3w h ALA 64 N 0.97 0.68 -0.40 3.43 0.00 -1.76 -1.11 119.26 121.06 1r3w h ALA 64 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1r3w h ALA 64 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1r3w h ALA 64 CO 0.02 0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.71 1r3w h GLU 67 N 0.37 0.44 -0.54 0.00 4.57 -0.90 -1.68 114.58 116.84 1r3w h GLU 67 Ca 0.17 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1r3w h GLU 67 Cb 0.10 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1r3w h GLU 67 CO -0.14 0.32 0.15 -0.07 -1.18 0.00 0.00 179.01 178.09 1r3w h LEU 68 N 0.42 0.77 -0.70 1.64 3.38 -1.19 -1.62 115.31 118.00 1r3w h LEU 68 Ca 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1r3w h LEU 68 Cb -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1r3w h LEU 68 CO -0.02 0.74 0.29 0.74 0.09 0.00 0.00 178.44 180.28 1r3w h THR 69 N 0.80 1.24 0.00 0.22 2.02 -0.65 -3.12 112.91 113.43 1r3w h THR 69 Ca 0.18 -0.75 -0.15 0.00 0.77 0.00 0.00 66.41 66.45 1r3w h THR 69 Cb 0.27 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1r3w h THR 69 CO -0.00 0.30 -0.72 -0.07 0.37 0.00 0.00 175.52 175.40 1r3w h LEU 70 N 1.00 0.00 -0.47 2.58 3.38 -0.91 -3.37 115.31 117.52 1r3w h LEU 70 Ca 0.24 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1r3w h LEU 70 Cb 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 1r3w h LEU 70 CO -0.02 0.72 -0.21 1.56 0.09 0.00 0.00 178.44 180.57 1r3w h GLN 71 N 0.00 -0.11 -0.49 1.13 4.20 -1.24 -0.66 115.11 117.94 1r3w h GLN 71 Ca -0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r3w h GLN 71 Cb 1.44 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 1r3w h GLN 71 CO 0.09 -0.07 0.32 -1.00 -0.67 0.00 0.00 178.83 177.50 1r3w h PRO 72 N -0.11 0.65 0.00 1.46 0.13 -1.76 -2.33 132.00 130.04 1r3w h PRO 72 Ca 0.22 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1r3w h PRO 72 Cb 0.46 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1r3w h PRO 72 CO -0.54 0.44 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.57 1r3w h LEU 73 N 0.67 0.00 -0.50 1.56 4.07 -1.31 -0.16 115.31 119.64 1r3w h LEU 73 Ca 0.18 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.04 1r3w h LEU 73 Cb -0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1r3w h LEU 73 CO -0.04 0.02 -0.47 0.03 -1.08 0.00 0.00 178.44 176.90 1r3w h ARG 74 N 0.00 0.00 0.09 1.13 3.08 -1.01 -3.33 114.38 114.33 1r3w h ARG 74 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1r3w h ARG 74 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1r3w h ARG 74 CO 0.00 0.47 -1.90 0.54 -1.07 0.00 0.00 179.97 178.01 1r3w n ARG 75 N -3.40 0.72 -4.18 0.04 1.74 -0.77 -4.99 116.66 105.83 1r3w n ARG 75 Ca 0.01 0.27 -0.16 0.00 -0.77 0.00 0.00 57.85 57.20 1r3w n ARG 75 Cb 0.63 -1.74 -0.14 0.00 -1.02 0.00 0.00 32.46 30.20 1r3w n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1r3w s PHE 76 N -2.57 0.63 -1.56 -1.55 0.40 -0.14 -5.01 117.98 108.18 1r3w s PHE 76 Ca -0.17 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 1r3w s PHE 76 Cb 0.07 -0.39 -0.10 0.00 0.51 0.00 0.00 43.02 43.11 1r3w s PHE 76 CO 0.79 -0.02 3.00 -0.35 0.70 0.00 0.00 175.22 179.33 1r3w n PRO 77 N 2.47 3.64 -2.21 0.24 -0.04 -1.26 -4.27 135.00 133.57 1r3w n PRO 77 Ca -0.16 -2.15 -0.37 0.00 -0.04 0.00 0.00 63.50 60.78 1r3w n PRO 77 Cb 0.57 -2.77 -0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1r3w n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r3w s LEU 78 N 0.16 3.97 0.00 1.53 1.43 -1.26 -4.94 118.68 119.56 1r3w s LEU 78 Ca 0.70 2.34 0.22 0.00 -1.03 0.00 0.00 54.13 56.36 1r3w s LEU 78 Cb 0.19 -4.28 0.71 0.00 0.03 0.00 0.00 46.19 42.83 1r3w s LEU 78 CO -0.06 -1.02 1.53 0.47 0.23 0.00 0.00 176.35 177.51 1r3w n ASP 79 N -0.63 1.95 -3.60 2.29 8.00 -0.21 -4.87 116.55 119.49 1r3w n ASP 79 Ca 0.08 -1.74 -0.16 0.00 0.71 0.00 0.00 54.79 53.68 1r3w n ASP 79 Cb 0.48 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1r3w n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r3w s ALA 80 N -1.78 -1.39 0.08 2.24 0.00 -1.26 -4.25 121.76 115.40 1r3w s ALA 80 Ca 0.34 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1r3w s ALA 80 Cb 0.19 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1r3w s ALA 80 CO 0.28 -0.37 0.14 0.00 0.00 0.00 0.00 175.76 175.81 1r3w s ALA 81 N -1.51 3.74 -0.08 0.00 0.00 -0.23 -4.90 121.76 118.79 1r3w s ALA 81 Ca -0.10 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1r3w s ALA 81 Cb -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1r3w s ALA 81 CO 0.06 0.76 -0.21 -1.50 0.00 0.00 0.00 175.76 174.86 1r3w s ILE 82 N -1.47 1.81 0.36 0.00 2.07 -1.26 -0.25 121.20 122.47 1r3w s ILE 82 Ca 0.32 -0.89 -0.28 0.00 -1.41 0.00 0.00 60.65 58.38 1r3w s ILE 82 Cb -0.12 -1.57 -0.11 0.00 0.13 0.00 0.00 42.46 40.78 1r3w s ILE 82 CO 0.25 0.51 1.50 -0.51 -1.91 0.00 0.00 174.94 174.77 1r3w s ILE 83 N 0.32 2.07 -0.17 2.00 1.10 -0.76 -4.78 121.20 120.97 1r3w s ILE 83 Ca -0.15 0.07 -0.29 0.00 -0.51 0.00 0.00 60.65 59.77 1r3w s ILE 83 Cb -0.16 -3.04 -0.01 0.00 0.15 0.00 0.00 42.46 39.39 1r3w s ILE 83 CO 0.07 0.02 1.25 0.12 -2.11 0.00 0.00 174.94 174.28 1r3w s PHE 84 N -0.97 2.88 0.00 3.50 5.36 -1.26 -4.93 117.98 122.56 1r3w s PHE 84 Ca 0.54 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 1r3w s PHE 84 Cb -0.46 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1r3w s PHE 84 CO 0.61 -1.62 0.00 0.45 -1.46 0.00 0.00 175.22 173.20 1r3w n SER 85 N 6.59 0.00 -3.85 6.13 2.88 -1.26 -4.84 113.62 119.27 1r3w n SER 85 Ca 0.14 -0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.38 1r3w n SER 85 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 1r3w n SER 85 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r3w s ASP 86 N 1.46 -0.02 0.58 -3.46 -1.08 -1.26 -5.02 116.67 107.88 1r3w s ASP 86 Ca 0.00 -0.15 0.35 0.00 -0.52 0.00 0.00 52.55 52.23 1r3w s ASP 86 Cb 0.00 0.23 1.78 0.00 -1.46 0.00 0.00 42.92 43.46 1r3w s ASP 86 CO 0.00 -0.39 2.16 0.16 0.52 0.00 0.00 175.17 177.62 1r3w h ILE 87 N 4.16 0.23 -0.00 4.11 3.07 -1.95 -2.97 117.51 124.16 1r3w h ILE 87 Ca -0.31 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.78 1r3w h ILE 87 Cb 1.19 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1r3w h ILE 87 CO 0.41 0.04 0.00 0.18 -1.05 0.00 0.00 178.15 177.73 1r3w n LEU 88 N -3.32 0.10 0.26 0.16 4.77 -1.26 -3.08 117.00 114.62 1r3w n LEU 88 Ca -0.02 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.04 1r3w n LEU 88 Cb 0.19 -0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.97 1r3w n LEU 88 CO 0.26 0.02 0.97 -0.37 -1.33 0.00 0.00 177.39 176.94 1r3w h VAL 89 N 0.15 0.71 0.29 4.08 -1.51 -1.95 -2.65 116.25 115.36 1r3w h VAL 89 Ca 0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 1r3w h VAL 89 Cb 0.03 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1r3w h VAL 89 CO 0.00 0.12 -0.14 0.58 -1.23 0.00 0.00 177.57 176.90 1r3w h VAL 90 N 0.00 0.64 -0.70 7.19 2.07 -1.81 -0.83 116.25 122.82 1r3w h VAL 90 Ca -0.00 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.85 1r3w h VAL 90 Cb 0.30 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1r3w h VAL 90 CO 0.02 0.13 0.46 -0.65 0.02 0.00 0.00 177.57 177.55 1r3w h PRO 91 N -0.86 0.52 -0.33 1.57 0.11 -1.79 -0.58 132.00 130.64 1r3w h PRO 91 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1r3w h PRO 91 Cb 0.52 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1r3w h PRO 91 CO 0.06 0.34 0.18 0.37 -0.21 0.00 0.00 178.00 178.75 1r3w h GLN 92 N 0.54 0.46 0.00 1.05 4.15 -1.42 -2.26 115.11 117.62 1r3w h GLN 92 Ca 0.32 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1r3w h GLN 92 Cb 0.55 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1r3w h GLN 92 CO -0.11 0.39 -0.13 0.00 -1.93 0.00 0.00 178.83 177.05 1r3w h ALA 93 N 1.04 1.03 0.00 3.38 0.00 -0.37 -1.09 119.26 123.26 1r3w h ALA 93 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3w h ALA 93 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1r3w h ALA 93 CO -0.02 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1r3w n LEU 94 N -3.29 0.00 0.00 0.00 4.77 -0.30 -4.80 117.00 113.38 1r3w n LEU 94 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1r3w n LEU 94 Cb 0.37 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1r3w n LEU 94 CO 0.31 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1r3w n GLY 95 N 0.88 1.02 3.82 -0.72 0.00 -0.41 -0.32 105.19 109.45 1r3w n GLY 95 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1r3w n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r3w s MET 96 N -0.50 4.18 -0.03 1.61 -1.94 -0.88 -4.96 119.30 116.77 1r3w s MET 96 Ca 0.00 0.72 -0.23 0.00 -1.71 0.00 0.00 55.69 54.47 1r3w s MET 96 Cb 0.00 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 1r3w s MET 96 CO 0.00 0.58 0.68 -1.21 -0.01 0.00 0.00 175.02 175.06 1r3w s GLU 97 N -1.39 4.42 -0.02 2.03 0.41 -1.26 -4.14 118.70 118.75 1r3w s GLU 97 Ca 0.33 0.87 0.00 0.00 -0.41 0.00 0.00 54.97 55.77 1r3w s GLU 97 Cb -0.18 -3.41 0.02 0.00 -1.78 0.00 0.00 34.13 28.78 1r3w s GLU 97 CO 0.20 0.18 -0.00 0.08 -0.49 0.00 0.00 175.26 175.22 1r3w s VAL 98 N 0.40 0.14 0.29 2.63 1.01 -1.26 -4.15 120.40 119.46 1r3w s VAL 98 Ca 0.36 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.48 1r3w s VAL 98 Cb -0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1r3w s VAL 98 CO 0.19 0.10 -0.02 0.42 0.00 0.00 0.00 175.10 175.79 1r3w s THR 99 N 0.68 3.07 -0.64 3.92 -4.23 0.26 -4.96 115.64 113.73 1r3w s THR 99 Ca -0.06 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1r3w s THR 99 Cb -0.09 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.15 1r3w s THR 99 CO -0.01 -0.32 0.46 -0.32 -0.54 0.00 0.00 174.62 173.89 1r3w s MET 100 N -3.67 2.63 0.31 3.99 1.75 -1.26 -1.44 119.30 121.60 1r3w s MET 100 Ca 0.33 -2.57 -0.29 0.00 -1.25 0.00 0.00 55.69 51.91 1r3w s MET 100 Cb -0.04 -3.76 -0.12 0.00 2.84 0.00 0.00 34.83 33.74 1r3w s MET 100 CO 0.19 -1.18 1.39 0.28 -0.65 0.00 0.00 175.02 175.05 1r3w n VAL 101 N 3.44 1.60 -1.51 10.11 0.31 -0.65 -4.82 118.33 126.81 1r3w n VAL 101 Ca 0.09 -0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 63.59 1r3w n VAL 101 Cb 0.38 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 1r3w n VAL 101 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1r3w n PRO 102 N 1.13 0.87 -0.78 5.55 -0.02 -1.26 -2.20 135.00 138.29 1r3w n PRO 102 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1r3w n PRO 102 Cb 0.35 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1r3w n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3w n GLY 103 N 6.28 0.37 0.17 -1.23 0.00 -1.26 -4.82 105.19 104.71 1r3w n GLY 103 Ca 0.45 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.56 1r3w n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3w n LYS 104 N -1.71 1.25 -0.07 1.61 4.01 -0.94 -5.13 118.16 117.20 1r3w n LYS 104 Ca 0.00 -2.60 0.01 0.00 -0.51 0.00 0.00 58.31 55.21 1r3w n LYS 104 Cb 0.06 -1.46 -0.00 0.00 -0.51 0.00 0.00 35.03 33.12 1r3w n LYS 104 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1r3w n GLY 105 N -1.32 -1.77 3.77 0.72 0.00 -1.19 -4.77 105.19 100.64 1r3w n GLY 105 Ca 0.16 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 1r3w n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3w s PRO 106 N -0.19 3.95 -0.05 1.61 0.04 -1.26 -1.63 135.00 137.46 1r3w s PRO 106 Ca 0.00 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1r3w s PRO 106 Cb 0.00 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1r3w s PRO 106 CO 0.00 -0.40 0.14 0.45 0.04 0.00 0.00 177.00 177.22 1r3w s SER 107 N -1.21 -0.14 -0.36 6.66 0.15 -0.52 -4.47 113.70 113.81 1r3w s SER 107 Ca 0.59 0.28 -0.05 0.00 0.70 0.00 0.00 55.95 57.47 1r3w s SER 107 Cb -0.30 0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.35 1r3w s SER 107 CO 0.37 -0.05 0.13 -0.36 1.20 0.00 0.00 173.24 174.54 1r3w s PHE 108 N 0.12 3.34 0.41 3.44 0.40 -0.37 -0.57 117.98 124.76 1r3w s PHE 108 Ca -0.00 -1.76 0.35 0.00 -0.60 0.00 0.00 56.93 54.92 1r3w s PHE 108 Cb -0.01 -2.58 1.78 0.00 0.51 0.00 0.00 43.02 42.71 1r3w s PHE 108 CO -0.00 -0.82 2.16 -1.00 0.70 0.00 0.00 175.22 176.25 1r3w h PRO 109 N 8.17 0.00 -2.72 0.24 0.13 -1.86 -3.27 132.00 132.69 1r3w h PRO 109 Ca -0.20 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.32 1r3w h PRO 109 Cb 1.07 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.79 1r3w h PRO 109 CO 0.64 0.04 -0.65 0.39 -0.23 0.00 0.00 178.00 178.19 1r3w n GLU 110 N -3.28 1.79 -1.10 0.86 4.71 -1.26 -5.11 120.64 117.25 1r3w n GLU 110 Ca -0.02 -4.34 -0.30 0.00 -0.01 0.00 0.00 57.16 52.50 1r3w n GLU 110 Cb 0.20 -2.16 0.14 0.00 -1.01 0.00 0.00 31.44 28.60 1r3w n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1r3w s PRO 111 N -1.56 1.38 -0.13 3.49 0.04 -1.23 -4.93 135.00 132.06 1r3w s PRO 111 Ca 0.30 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1r3w s PRO 111 Cb 0.03 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1r3w s PRO 111 CO -0.13 -2.22 1.30 -0.51 0.04 0.00 0.00 177.00 175.47 1r3w s LEU 112 N -6.26 4.22 0.00 -3.56 1.43 -0.15 -4.88 118.68 109.48 1r3w s LEU 112 Ca 0.64 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1r3w s LEU 112 Cb -0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1r3w s LEU 112 CO 0.57 -0.74 0.00 0.54 0.23 0.00 0.00 176.35 176.95 1r3w n ARG 113 N 6.33 2.19 -4.35 1.70 5.12 -1.26 -4.37 116.66 122.02 1r3w n ARG 113 Ca 0.14 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.88 1r3w n ARG 113 Cb 0.45 -0.84 -0.10 0.00 -1.16 0.00 0.00 32.46 30.80 1r3w n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1r3w s GLU 114 N -1.48 1.38 0.34 5.56 -1.05 -1.26 -5.04 118.70 117.15 1r3w s GLU 114 Ca 0.00 -1.70 0.07 0.00 -0.15 0.00 0.00 54.97 53.20 1r3w s GLU 114 Cb 0.00 -0.76 0.77 0.00 -0.44 0.00 0.00 34.13 33.70 1r3w s GLU 114 CO 0.00 -0.06 1.86 1.49 0.95 0.00 0.00 175.26 179.50 1r3w h GLU 115 N 2.43 0.73 0.00 -4.83 4.81 -1.99 -0.67 114.58 115.05 1r3w h GLU 115 Ca -0.39 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1r3w h GLU 115 Cb 1.22 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1r3w h GLU 115 CO 0.65 0.48 -0.09 0.37 -0.73 0.00 0.00 179.01 179.70 1r3w h GLN 116 N 0.75 0.00 0.00 1.92 4.15 -2.03 -2.09 115.11 117.81 1r3w h GLN 116 Ca 0.46 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.88 1r3w h GLN 116 Cb 0.69 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 1r3w h GLN 116 CO -0.23 0.09 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.29 1r3w h ASP 117 N 0.00 0.00 0.22 -0.69 3.32 -1.53 -2.14 116.42 115.60 1r3w h ASP 117 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r3w h ASP 117 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1r3w h ASP 117 CO 0.01 0.03 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.48 1r3w h LEU 118 N 0.00 0.00 -2.10 1.55 3.38 -1.52 -2.75 115.31 113.87 1r3w h LEU 118 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r3w h LEU 118 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1r3w h LEU 118 CO 0.00 0.01 -0.07 -0.33 0.09 0.00 0.00 178.44 178.14 1r3w h GLU 119 N 0.00 0.00 -0.00 1.13 5.08 -1.60 -2.29 114.58 116.90 1r3w h GLU 119 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r3w h GLU 119 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1r3w h GLU 119 CO 0.00 0.07 -0.06 2.89 -1.00 0.00 0.00 179.01 180.91 1r3w n ARG 120 N -3.50 0.55 -2.74 2.33 1.85 -1.04 -4.87 116.66 109.24 1r3w n ARG 120 Ca -0.02 -0.11 -0.34 0.00 -1.00 0.00 0.00 57.85 56.38 1r3w n ARG 120 Cb 0.20 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.05 1r3w n ARG 120 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1r3w s LEU 121 N -2.52 4.02 0.69 2.89 1.43 -0.86 -4.78 118.68 119.55 1r3w s LEU 121 Ca 0.29 1.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 1r3w s LEU 121 Cb 0.20 -4.41 0.02 0.00 0.03 0.00 0.00 46.19 42.03 1r3w s LEU 121 CO 0.47 -0.38 1.23 -0.13 0.23 0.00 0.00 176.35 177.77 1r3w s ARG 122 N -2.91 2.36 0.12 1.70 0.52 0.56 -4.97 118.95 116.34 1r3w s ARG 122 Ca 0.60 1.84 -0.34 0.00 -0.52 0.00 0.00 55.73 57.32 1r3w s ARG 122 Cb -0.13 -1.85 -0.13 0.00 0.52 0.00 0.00 34.95 33.35 1r3w s ARG 122 CO 0.17 -1.68 1.63 -3.47 0.02 0.00 0.00 175.30 171.97 1r3w n ASP 123 N -2.35 3.15 0.30 0.23 -0.08 -1.26 -4.86 116.55 111.67 1r3w n ASP 123 Ca 0.14 1.06 0.15 0.00 -1.51 0.00 0.00 54.79 54.64 1r3w n ASP 123 Cb 0.50 -1.42 0.92 0.00 2.34 0.00 0.00 41.12 43.46 1r3w n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1r3w h PRO 124 N 6.50 0.00 0.00 -0.67 0.13 -1.90 -1.99 132.00 134.07 1r3w h PRO 124 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1r3w h PRO 124 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1r3w h PRO 124 CO 0.90 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.60 1r3w h GLU 125 N 0.00 0.00 -0.02 0.86 5.08 -1.89 -2.62 114.58 115.99 1r3w h GLU 125 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r3w h GLU 125 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1r3w h GLU 125 CO 0.00 0.00 -0.32 1.33 -1.00 0.00 0.00 179.01 179.02 1r3w n VAL 126 N -2.39 0.00 -0.31 3.13 0.24 -0.75 -4.51 118.33 113.74 1r3w n VAL 126 Ca 0.01 -0.33 -0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1r3w n VAL 126 Cb 0.18 1.32 0.08 0.00 -1.47 0.00 0.00 33.84 33.94 1r3w n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1r3w h VAL 127 N 3.16 1.26 -0.69 3.34 2.07 -1.58 -2.80 116.25 120.99 1r3w h VAL 127 Ca 0.00 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1r3w h VAL 127 Cb 0.83 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1r3w h VAL 127 CO 0.00 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.18 1r3w h ALA 128 N 1.23 1.20 -0.10 1.67 0.00 -1.79 -0.07 119.26 121.40 1r3w h ALA 128 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1r3w h ALA 128 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1r3w h ALA 128 CO -0.04 0.58 -0.01 0.66 0.00 0.00 0.00 179.25 180.44 1r3w h SER 129 N 0.99 0.13 1.08 0.00 4.64 -1.80 -1.48 113.55 117.11 1r3w h SER 129 Ca 0.23 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1r3w h SER 129 Cb 0.17 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1r3w h SER 129 CO -0.02 0.17 0.00 -0.62 -0.87 0.00 0.00 176.83 175.49 1r3w n GLU 130 N -4.43 0.21 -0.55 4.77 -0.58 -0.08 -3.43 120.64 116.54 1r3w n GLU 130 Ca -0.01 0.29 0.06 0.00 -0.42 0.00 0.00 57.16 57.08 1r3w n GLU 130 Cb 0.15 -1.80 0.27 0.00 -0.57 0.00 0.00 31.44 29.49 1r3w n GLU 130 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r3w n LEU 131 N -2.17 4.19 -0.34 -4.62 4.77 -0.56 -4.66 117.00 113.60 1r3w n LEU 131 Ca 0.04 -3.10 0.21 0.00 -0.03 0.00 0.00 56.01 53.12 1r3w n LEU 131 Cb 0.33 -0.58 0.45 0.00 -2.33 0.00 0.00 43.42 41.29 1r3w n LEU 131 CO 0.25 0.74 1.19 1.23 -1.33 0.00 0.00 177.39 179.46 1r3w h GLY 132 N 1.93 1.59 1.43 -0.72 0.00 -1.56 -1.14 103.07 104.59 1r3w h GLY 132 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.16 1r3w h GLY 132 CO 0.29 -0.21 0.29 0.10 0.00 0.00 0.00 176.54 177.01 1r3w h TYR 133 N 0.48 0.40 -0.21 5.60 -0.00 -1.90 0.42 116.97 121.76 1r3w h TYR 133 Ca 0.63 0.01 -0.11 0.00 0.00 0.00 0.00 58.73 59.26 1r3w h TYR 133 Cb 1.40 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 38.00 1r3w h TYR 133 CO -0.00 0.23 -0.28 0.28 -0.00 0.00 0.00 178.16 178.38 1r3w h VAL 134 N 0.41 1.33 -0.89 -0.90 2.07 -1.49 -2.03 116.25 114.75 1r3w h VAL 134 Ca 0.18 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1r3w h VAL 134 Cb 0.20 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1r3w h VAL 134 CO -0.04 0.46 0.47 -0.26 0.02 0.00 0.00 177.57 178.22 1r3w h PHE 135 N 0.24 1.23 -0.87 1.57 0.05 -1.19 -1.15 116.94 116.81 1r3w h PHE 135 Ca 0.02 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 1r3w h PHE 135 Cb 0.86 -0.39 -0.04 0.00 2.00 0.00 0.00 35.95 38.38 1r3w h PHE 135 CO 0.08 0.86 0.50 1.96 -0.18 0.00 0.00 178.31 181.53 1r3w h GLN 136 N 1.24 1.21 -0.63 1.51 4.20 -0.87 -1.02 115.11 120.74 1r3w h GLN 136 Ca 0.31 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1r3w h GLN 136 Cb 0.05 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1r3w h GLN 136 CO -0.05 0.87 0.20 0.00 -0.67 0.00 0.00 178.83 179.19 1r3w h ALA 137 N 1.27 0.83 -0.29 3.87 0.00 -0.85 -1.97 119.26 122.12 1r3w h ALA 137 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1r3w h ALA 137 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1r3w h ALA 137 CO -0.05 0.49 0.12 0.82 0.00 0.00 0.00 179.25 180.63 1r3w h ILE 138 N 0.91 1.17 -0.22 0.00 2.04 -0.81 -1.01 117.51 119.58 1r3w h ILE 138 Ca 0.20 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1r3w h ILE 138 Cb 0.28 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1r3w h ILE 138 CO -0.01 0.18 0.10 0.74 0.00 0.00 0.00 178.15 179.15 1r3w h THR 139 N 0.32 1.16 -0.48 -0.27 2.02 -1.11 -0.27 112.91 114.27 1r3w h THR 139 Ca 0.10 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1r3w h THR 139 Cb 0.16 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1r3w h THR 139 CO -0.01 0.15 0.32 0.25 0.37 0.00 0.00 175.52 176.60 1r3w h LEU 140 N 0.22 0.56 -0.61 2.58 5.85 -1.33 -1.35 115.31 121.22 1r3w h LEU 140 Ca 0.07 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1r3w h LEU 140 Cb 0.15 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1r3w h LEU 140 CO -0.01 0.41 0.08 0.74 -0.34 0.00 0.00 178.44 179.32 1r3w h THR 141 N 0.65 1.26 -0.88 1.05 2.02 -0.92 -0.27 112.91 115.82 1r3w h THR 141 Ca 0.18 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1r3w h THR 141 Cb -0.07 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1r3w h THR 141 CO -0.04 0.38 0.54 -0.09 0.37 0.00 0.00 175.52 176.68 1r3w h ARG 142 N 0.92 1.19 -0.05 6.66 9.65 -0.76 0.24 114.38 132.23 1r3w h ARG 142 Ca 0.18 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1r3w h ARG 142 Cb 0.45 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1r3w h ARG 142 CO 0.01 0.82 0.01 1.96 2.80 0.00 0.00 179.97 185.58 1r3w h GLN 143 N 1.21 0.08 -0.18 0.20 4.20 -0.86 -3.11 115.11 116.64 1r3w h GLN 143 Ca 0.32 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.91 1r3w h GLN 143 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1r3w h GLN 143 CO -0.06 0.31 -0.31 0.00 -0.67 0.00 0.00 178.83 178.10 1r3w h ARG 144 N -0.17 0.36 0.00 1.46 2.47 -0.75 -2.18 114.38 115.57 1r3w h ARG 144 Ca 0.01 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1r3w h ARG 144 Cb 0.27 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1r3w h ARG 144 CO 0.00 0.64 -0.05 -0.07 0.56 0.00 0.00 179.97 181.05 1r3w h LEU 145 N 0.32 0.00 0.78 3.04 3.38 -0.98 -3.46 115.31 118.39 1r3w h LEU 145 Ca 0.04 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.60 1r3w h LEU 145 Cb 0.71 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.53 1r3w h LEU 145 CO 0.05 0.05 -0.62 0.00 0.09 0.00 0.00 178.44 178.01 1r3w n ALA 146 N -2.53 -1.02 -1.00 1.53 0.00 -0.82 -1.77 120.51 114.91 1r3w n ALA 146 Ca -0.03 0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.72 1r3w n ALA 146 Cb 0.13 -4.12 -0.00 0.00 0.00 0.00 0.00 19.45 15.46 1r3w n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3w n GLY 147 N -1.59 0.47 0.28 0.00 0.00 -1.26 -4.82 105.19 98.27 1r3w n GLY 147 Ca -0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1r3w n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1r3w h ARG 148 N 0.90 -0.45 -3.83 1.61 2.43 -1.64 0.25 114.38 113.65 1r3w h ARG 148 Ca -0.00 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1r3w h ARG 148 Cb 0.07 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 1r3w h ARG 148 CO 0.00 -0.30 -0.26 0.14 -1.51 0.00 0.00 179.97 178.04 1r3w s VAL 149 N -6.07 0.04 0.64 0.20 -7.23 -1.26 -2.81 120.40 103.90 1r3w s VAL 149 Ca -0.16 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 58.47 1r3w s VAL 149 Cb 0.07 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1r3w s VAL 149 CO 0.65 -0.18 1.11 -2.84 -0.31 0.00 0.00 175.10 173.54 1r3w s PRO 150 N -3.99 2.91 -0.20 4.82 0.02 -1.26 -4.73 135.00 132.56 1r3w s PRO 150 Ca 0.20 1.43 -0.05 0.00 0.02 0.00 0.00 61.00 62.60 1r3w s PRO 150 Cb 0.02 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1r3w s PRO 150 CO 0.03 -1.17 -0.01 -1.17 -0.33 0.00 0.00 177.00 174.34 1r3w s LEU 151 N -4.66 3.16 -0.13 -5.54 2.96 -1.26 -1.07 118.68 112.14 1r3w s LEU 151 Ca 0.68 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 54.20 1r3w s LEU 151 Cb -0.21 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1r3w s LEU 151 CO 0.39 0.05 0.33 -0.63 -1.32 0.00 0.00 176.35 175.16 1r3w s ILE 152 N 1.09 5.27 0.44 6.68 1.01 0.65 -0.49 121.20 135.85 1r3w s ILE 152 Ca 0.02 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.38 1r3w s ILE 152 Cb -0.14 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1r3w s ILE 152 CO 0.01 0.41 0.61 -0.83 0.00 0.00 0.00 174.94 175.14 1r3w s GLY 153 N 0.25 1.92 0.09 6.18 0.00 0.03 -1.83 107.32 113.96 1r3w s GLY 153 Ca 0.19 -1.71 -0.26 0.00 0.00 0.00 0.00 44.72 42.94 1r3w s GLY 153 CO 0.06 -1.50 0.80 -0.11 0.00 0.00 0.00 173.10 172.36 1r3w s PHE 154 N -2.41 -0.35 0.23 1.90 -0.12 -1.26 -1.20 117.98 114.77 1r3w s PHE 154 Ca 0.56 0.14 -0.19 0.00 -0.05 0.00 0.00 56.93 57.39 1r3w s PHE 154 Cb -0.09 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1r3w s PHE 154 CO 0.34 -0.74 0.60 0.00 -0.05 0.00 0.00 175.22 175.37 1r3w s ALA 155 N -3.40 -0.99 0.40 1.99 0.00 -0.93 -4.96 121.76 113.87 1r3w s ALA 155 Ca 0.06 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1r3w s ALA 155 Cb -0.01 0.89 -0.10 0.00 0.00 0.00 0.00 23.12 23.90 1r3w s ALA 155 CO -0.07 -0.90 0.97 0.20 0.00 0.00 0.00 175.76 175.97 1r3w s GLY 156 N -2.90 2.59 0.59 0.00 0.00 -1.26 -0.99 107.32 105.35 1r3w s GLY 156 Ca 0.11 0.51 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 1r3w s GLY 156 CO 0.02 0.87 1.05 0.00 0.00 0.00 0.00 173.10 175.04 1r3w s ALA 157 N -1.89 2.76 0.18 3.20 0.00 -0.28 -4.76 121.76 120.96 1r3w s ALA 157 Ca 0.58 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 1r3w s ALA 157 Cb -0.15 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 19.88 1r3w s ALA 157 CO 0.19 -0.80 1.64 -1.35 0.00 0.00 0.00 175.76 175.45 1r3w h PRO 158 N 0.41 -0.07 -0.28 0.00 0.11 -1.92 -0.80 132.00 129.45 1r3w h PRO 158 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1r3w h PRO 158 Cb 1.22 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1r3w h PRO 158 CO 0.58 -0.05 0.17 2.35 -0.21 0.00 0.00 178.00 180.84 1r3w h TRP 159 N -0.08 0.37 -0.85 0.65 2.91 -1.89 0.07 115.95 117.13 1r3w h TRP 159 Ca 0.22 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 1r3w h TRP 159 Cb 0.41 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.90 1r3w h TRP 159 CO -0.45 0.27 0.43 1.15 -1.03 0.00 0.00 178.44 178.82 1r3w h THR 160 N 0.36 1.26 -0.45 2.65 2.02 -1.77 -0.60 112.91 116.39 1r3w h THR 160 Ca 0.10 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1r3w h THR 160 Cb 0.01 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1r3w h THR 160 CO -0.02 0.30 -0.10 -0.07 0.37 0.00 0.00 175.52 176.00 1r3w h LEU 161 N 1.21 0.79 -0.98 2.58 3.38 -0.81 -2.19 115.31 119.30 1r3w h LEU 161 Ca 0.30 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1r3w h LEU 161 Cb 0.09 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1r3w h LEU 161 CO -0.04 0.92 0.64 -0.03 0.09 0.00 0.00 178.44 180.02 1r3w h MET 162 N 0.73 1.19 -0.78 1.13 4.05 -0.23 -1.88 114.93 119.14 1r3w h MET 162 Ca 0.12 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1r3w h MET 162 Cb 0.59 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 1r3w h MET 162 CO 0.04 0.79 0.30 1.79 0.23 0.00 0.00 176.91 180.06 1r3w h THR 163 N 1.23 1.26 -0.63 -0.77 1.35 -0.49 -1.03 112.91 113.83 1r3w h THR 163 Ca 0.39 -0.83 -0.07 0.00 -0.55 0.00 0.00 66.41 65.34 1r3w h THR 163 Cb 0.01 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 1r3w h THR 163 CO -0.13 0.34 0.10 -0.26 -0.25 0.00 0.00 175.52 175.32 1r3w h PHE 164 N 1.15 1.10 -0.32 4.73 -1.00 -1.22 0.11 116.94 121.49 1r3w h PHE 164 Ca 0.26 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 60.81 1r3w h PHE 164 Cb 0.23 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 1r3w h PHE 164 CO 0.02 0.94 -0.14 0.52 -1.61 0.00 0.00 178.31 178.04 1r3w h MET 165 N 0.95 0.57 0.07 1.51 2.86 -0.77 0.35 114.93 120.46 1r3w h MET 165 Ca 0.19 -0.18 -0.30 0.00 -2.06 0.00 0.00 59.70 57.35 1r3w h MET 165 Cb 0.43 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1r3w h MET 165 CO 0.01 0.69 -1.65 0.28 1.06 0.00 0.00 176.91 177.31 1r3w h VAL 166 N 0.52 0.77 0.00 -2.22 2.07 -1.16 -0.38 116.25 115.86 1r3w h VAL 166 Ca 0.09 -2.28 -0.14 0.00 0.82 0.00 0.00 66.70 65.19 1r3w h VAL 166 Cb 0.55 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1r3w h VAL 166 CO 0.03 0.64 -0.68 -0.33 0.02 0.00 0.00 177.57 177.25 1r3w h GLU 167 N -0.41 0.00 0.00 1.57 4.39 -0.85 -3.40 114.58 115.88 1r3w h GLU 167 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1r3w h GLU 167 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 1r3w h GLU 167 CO -0.04 0.68 0.00 0.41 -1.16 0.00 0.00 179.01 178.90 1r3w n GLY 168 N 0.47 0.59 0.00 -3.84 0.00 0.11 -4.90 105.19 97.61 1r3w n GLY 168 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1r3w n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r3w n GLY 169 N -2.76 -0.54 3.77 -0.02 0.00 -1.18 -1.23 105.19 103.22 1r3w n GLY 169 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1r3w n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3w s GLY 170 N 0.00 1.65 -0.10 -0.02 0.00 -1.26 -4.57 107.32 103.02 1r3w s GLY 170 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.56 1r3w s GLY 170 CO 0.00 0.48 0.60 -0.45 0.00 0.00 0.00 173.10 173.72 1r3w s SER 171 N -3.53 -0.57 0.03 1.64 0.15 -1.26 -5.03 113.70 105.13 1r3w s SER 171 Ca 0.61 0.78 0.27 0.00 0.70 0.00 0.00 55.95 58.31 1r3w s SER 171 Cb -0.17 0.73 0.88 0.00 -1.71 0.00 0.00 66.02 65.76 1r3w s SER 171 CO 0.56 -0.45 1.69 -1.54 1.20 0.00 0.00 173.24 174.70 1r3w n SER 172 N 1.57 0.30 0.00 5.45 3.41 -1.26 -4.35 113.62 118.74 1r3w n SER 172 Ca -0.18 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1r3w n SER 172 Cb 0.56 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1r3w n SER 172 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1r3w n THR 173 N -1.62 0.00 -3.96 6.66 -2.24 -1.26 -5.02 114.28 106.84 1r3w n THR 173 Ca 0.06 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1r3w n THR 173 Cb 0.36 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1r3w n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1r3w n MET 174 N -0.88 -4.18 0.02 -0.78 0.00 -1.26 -4.86 117.12 105.18 1r3w n MET 174 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 57.70 58.18 1r3w n MET 174 Cb 0.00 -5.28 0.29 0.00 0.00 0.00 0.00 33.22 28.22 1r3w n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r3w h ALA 175 N 0.95 1.32 0.01 3.04 0.00 -1.96 -0.12 119.26 122.50 1r3w h ALA 175 Ca -0.56 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 53.89 1r3w h ALA 175 Cb 1.37 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1r3w h ALA 175 CO 0.70 0.46 -0.89 1.96 0.00 0.00 0.00 179.25 181.48 1r3w h GLN 176 N 0.44 0.59 -0.44 0.00 4.20 -1.95 -1.14 115.11 116.81 1r3w h GLN 176 Ca 0.09 -0.64 -0.14 0.00 0.06 0.00 0.00 58.65 58.01 1r3w h GLN 176 Cb 0.42 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1r3w h GLN 176 CO 0.02 1.25 -0.29 0.00 -0.67 0.00 0.00 178.83 179.14 1r3w h ALA 177 N 0.36 0.65 -0.18 3.87 0.00 -1.86 -2.19 119.26 119.91 1r3w h ALA 177 Ca -0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1r3w h ALA 177 Cb 1.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1r3w h ALA 177 CO 0.17 0.68 -0.36 0.87 0.00 0.00 0.00 179.25 180.62 1r3w h LYS 178 N 0.81 0.37 -0.60 0.00 1.57 -1.08 -2.49 116.57 115.16 1r3w h LYS 178 Ca 0.09 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1r3w h LYS 178 Cb 0.88 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1r3w h LYS 178 CO 0.08 0.68 0.17 -0.09 -0.57 0.00 0.00 179.45 179.72 1r3w h ARG 179 N 0.32 0.92 -0.49 3.15 2.43 -1.02 -1.63 114.38 118.06 1r3w h ARG 179 Ca 0.04 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1r3w h ARG 179 Cb 0.78 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1r3w h ARG 179 CO 0.06 0.80 0.18 -1.49 -1.51 0.00 0.00 179.97 178.02 1r3w h TRP 180 N 0.88 0.33 -0.87 2.20 4.06 -1.00 0.16 115.95 121.70 1r3w h TRP 180 Ca 0.20 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.18 1r3w h TRP 180 Cb 0.28 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 1r3w h TRP 180 CO 0.02 0.12 0.58 -0.07 -3.56 0.00 0.00 178.44 175.52 1r3w h LEU 181 N 0.37 0.99 0.20 -4.49 3.38 -0.91 0.33 115.31 115.18 1r3w h LEU 181 Ca 0.23 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.86 1r3w h LEU 181 Cb 0.23 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.76 1r3w h LEU 181 CO -0.23 0.71 -1.48 1.88 0.09 0.00 0.00 178.44 179.41 1r3w h TYR 182 N 1.17 0.76 0.00 1.13 -1.99 -1.11 -3.31 116.97 113.62 1r3w h TYR 182 Ca 0.32 -0.56 -0.24 0.00 2.00 0.00 0.00 58.73 60.25 1r3w h TYR 182 Cb -0.11 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 1r3w h TYR 182 CO -0.01 1.50 -2.10 1.04 -0.00 0.00 0.00 178.16 178.59 1r3w n GLN 183 N -3.62 0.67 -2.88 4.88 6.02 0.54 -4.59 117.38 118.40 1r3w n GLN 183 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.61 1r3w n GLN 183 Cb 1.08 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 30.73 1r3w n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1r3w n ARG 184 N -2.67 2.38 -0.36 -1.09 1.74 0.11 -4.95 116.66 111.82 1r3w n ARG 184 Ca -0.21 -4.18 -0.01 0.00 -0.77 0.00 0.00 57.85 52.68 1r3w n ARG 184 Cb 0.96 -1.96 0.13 0.00 -1.02 0.00 0.00 32.46 30.56 1r3w n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r3w h PRO 185 N 2.91 1.22 -0.08 5.56 0.13 -1.63 -0.20 132.00 139.91 1r3w h PRO 185 Ca 0.12 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1r3w h PRO 185 Cb 0.80 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1r3w h PRO 185 CO 0.70 0.81 0.02 1.96 -0.23 0.00 0.00 178.00 181.25 1r3w h GLN 186 N 1.26 0.13 -0.46 0.86 4.20 -1.91 -1.04 115.11 118.15 1r3w h GLN 186 Ca 0.38 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 1r3w h GLN 186 Cb -0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1r3w h GLN 186 CO -0.11 0.31 0.09 0.00 -0.67 0.00 0.00 178.83 178.45 1r3w h ALA 187 N 0.82 1.30 0.12 3.87 0.00 -1.88 -0.47 119.26 123.02 1r3w h ALA 187 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r3w h ALA 187 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r3w h ALA 187 CO -0.00 0.49 -0.06 0.77 0.00 0.00 0.00 179.25 180.45 1r3w h SER 188 N 0.67 -0.14 -0.91 0.00 0.02 -0.90 -0.95 113.55 111.34 1r3w h SER 188 Ca 0.15 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1r3w h SER 188 Cb 0.29 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1r3w h SER 188 CO 0.00 -0.07 0.59 0.45 -1.14 0.00 0.00 176.83 176.65 1r3w h HIS 189 N -0.19 1.09 -0.30 3.45 -0.00 -0.85 0.13 115.15 118.48 1r3w h HIS 189 Ca -0.02 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1r3w h HIS 189 Cb 0.15 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 1r3w h HIS 189 CO -0.06 0.61 0.13 0.37 -0.00 0.00 0.00 177.93 178.98 1r3w h GLN 190 N 1.11 0.27 -0.39 2.45 4.15 -0.84 0.63 115.11 122.50 1r3w h GLN 190 Ca 0.37 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.74 1r3w h GLN 190 Cb 0.06 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1r3w h GLN 190 CO -0.14 0.18 0.08 1.25 -1.93 0.00 0.00 178.83 178.28 1r3w h LEU 191 N 0.28 0.60 -1.28 -2.39 5.85 -0.66 -1.13 115.31 116.58 1r3w h LEU 191 Ca 0.13 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1r3w h LEU 191 Cb 0.07 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1r3w h LEU 191 CO -0.11 0.69 0.17 -0.07 -0.34 0.00 0.00 178.44 178.78 1r3w h LEU 192 N 0.48 0.61 -0.38 2.25 3.38 -0.78 -0.39 115.31 120.49 1r3w h LEU 192 Ca 0.12 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1r3w h LEU 192 Cb 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1r3w h LEU 192 CO 0.00 0.56 -0.16 -0.09 0.09 0.00 0.00 178.44 178.85 1r3w h ARG 193 N 0.67 0.79 -0.22 1.13 9.65 -0.68 -1.37 114.38 124.34 1r3w h ARG 193 Ca 0.16 -0.33 0.05 0.00 -1.10 0.00 0.00 59.98 58.75 1r3w h ARG 193 Cb 0.15 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 1r3w h ARG 193 CO -0.01 0.95 -0.06 0.82 2.80 0.00 0.00 179.97 184.47 1r3w h ILE 194 N 0.59 0.76 -0.47 1.20 2.04 -0.67 0.52 117.51 121.47 1r3w h ILE 194 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1r3w h ILE 194 Cb 0.70 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1r3w h ILE 194 CO 0.05 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.44 1r3w h LEU 195 N -0.01 0.55 -0.25 1.44 3.38 -0.99 -1.12 115.31 118.31 1r3w h LEU 195 Ca 0.11 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1r3w h LEU 195 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1r3w h LEU 195 CO -0.24 0.41 0.12 0.74 0.09 0.00 0.00 178.44 179.56 1r3w h THR 196 N 0.64 0.98 0.00 0.22 2.02 -0.89 0.36 112.91 116.23 1r3w h THR 196 Ca 0.17 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1r3w h THR 196 Cb -0.06 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1r3w h THR 196 CO -0.04 0.05 -0.06 0.44 0.37 0.00 0.00 175.52 176.28 1r3w h ASP 197 N 0.25 0.00 0.25 4.18 3.32 -0.56 -1.83 116.42 122.04 1r3w h ASP 197 Ca 0.11 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.81 1r3w h ASP 197 Cb 0.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1r3w h ASP 197 CO -0.08 0.06 -1.59 0.00 -1.72 0.00 0.00 179.24 175.91 1r3w h ALA 198 N 1.94 -0.01 -0.50 3.45 0.00 -0.78 -3.39 119.26 119.97 1r3w h ALA 198 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 53.80 1r3w h ALA 198 Cb 0.43 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1r3w h ALA 198 CO 0.01 0.85 -0.16 -0.07 0.00 0.00 0.00 179.25 179.88 1r3w h LEU 199 N 0.13 1.00 0.69 0.00 3.38 -0.50 -2.82 115.31 117.19 1r3w h LEU 199 Ca -0.29 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1r3w h LEU 199 Cb 2.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1r3w h LEU 199 CO 0.23 1.15 -0.41 0.58 0.09 0.00 0.00 178.44 180.09 1r3w h VAL 200 N 0.85 0.18 -0.17 1.22 2.07 -1.54 0.76 116.25 119.61 1r3w h VAL 200 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1r3w h VAL 200 Cb 0.73 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1r3w h VAL 200 CO 0.06 0.00 0.01 1.55 0.02 0.00 0.00 177.57 179.21 1r3w h PRO 201 N -1.03 0.23 -0.03 1.57 0.13 -1.75 -1.09 132.00 130.04 1r3w h PRO 201 Ca -0.09 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1r3w h PRO 201 Cb 0.82 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1r3w h PRO 201 CO 0.10 0.25 0.00 -0.92 -0.23 0.00 0.00 178.00 177.20 1r3w h TYR 202 N 0.23 0.06 -0.48 1.56 3.20 -1.22 -0.46 116.97 119.87 1r3w h TYR 202 Ca 0.06 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1r3w h TYR 202 Cb 0.14 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1r3w h TYR 202 CO 0.00 0.30 0.16 -0.07 -1.64 0.00 0.00 178.16 176.91 1r3w h LEU 203 N -0.20 0.68 -0.57 2.82 3.38 -0.58 -1.00 115.31 119.85 1r3w h LEU 203 Ca 0.01 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.86 1r3w h LEU 203 Cb 0.27 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1r3w h LEU 203 CO 0.00 0.69 0.24 0.58 0.09 0.00 0.00 178.44 180.04 1r3w h VAL 204 N 0.63 0.85 -0.31 1.22 2.07 -1.19 -2.07 116.25 117.44 1r3w h VAL 204 Ca 0.16 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1r3w h VAL 204 Cb 0.25 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1r3w h VAL 204 CO -0.01 0.08 0.10 1.23 0.02 0.00 0.00 177.57 179.00 1r3w h GLY 205 N 0.45 0.48 1.06 2.17 0.00 -0.60 -0.17 103.07 106.45 1r3w h GLY 205 Ca 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 1r3w h GLY 205 CO -0.24 0.21 0.25 1.46 0.00 0.00 0.00 176.54 178.22 1r3w h GLN 206 N 0.44 1.18 -0.19 4.80 4.20 -0.52 -0.28 115.11 124.75 1r3w h GLN 206 Ca 0.11 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 1r3w h GLN 206 Cb 0.13 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1r3w h GLN 206 CO -0.01 0.99 -0.26 0.28 -0.67 0.00 0.00 178.83 179.16 1r3w h VAL 207 N 1.13 1.34 -1.00 -0.54 2.07 -0.86 -0.76 116.25 117.63 1r3w h VAL 207 Ca 0.25 -1.46 0.13 0.00 0.82 0.00 0.00 66.70 66.43 1r3w h VAL 207 Cb 0.29 1.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 1r3w h VAL 207 CO -0.01 0.44 0.63 0.58 0.02 0.00 0.00 177.57 179.23 1r3w h VAL 208 N 0.16 0.89 0.00 2.57 2.07 -0.83 -0.66 116.25 120.44 1r3w h VAL 208 Ca 0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1r3w h VAL 208 Cb 0.83 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1r3w h VAL 208 CO 0.06 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1r3w n ALA 209 N -2.35 2.06 0.00 1.67 0.00 -0.14 -4.89 120.51 116.87 1r3w n ALA 209 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1r3w n ALA 209 Cb 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1r3w n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3w n GLY 210 N 0.87 0.86 3.75 0.00 0.00 -0.26 -3.03 105.19 107.38 1r3w n GLY 210 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1r3w n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3w n ALA 211 N 0.00 2.25 0.52 4.61 0.00 -0.33 -4.84 120.51 122.72 1r3w n ALA 211 Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.86 1r3w n ALA 211 Cb 0.00 -2.41 0.04 0.00 0.00 0.00 0.00 19.45 17.08 1r3w n ALA 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r3w n GLN 212 N 1.10 1.00 -3.50 0.00 6.02 0.36 -4.51 117.38 117.85 1r3w n GLN 212 Ca 0.05 -1.11 -0.09 0.00 -0.01 0.00 0.00 57.00 55.84 1r3w n GLN 212 Cb 0.37 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.40 1r3w n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3w s ALA 213 N -1.14 -1.72 -0.02 -1.58 0.00 -1.20 -4.29 121.76 111.82 1r3w s ALA 213 Ca 0.13 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1r3w s ALA 213 Cb 0.10 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1r3w s ALA 213 CO 0.19 -0.75 -0.05 -0.51 0.00 0.00 0.00 175.76 174.64 1r3w s LEU 214 N -2.62 1.76 -0.08 0.00 1.43 -0.73 -0.79 118.68 117.66 1r3w s LEU 214 Ca 0.04 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1r3w s LEU 214 Cb -0.01 -0.32 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 1r3w s LEU 214 CO -0.09 0.02 -0.24 -1.58 0.23 0.00 0.00 176.35 174.69 1r3w s GLN 215 N 0.24 2.74 -0.24 1.70 0.74 -0.34 -0.50 119.66 123.99 1r3w s GLN 215 Ca -0.03 -0.88 -0.07 0.00 0.05 0.00 0.00 55.36 54.43 1r3w s GLN 215 Cb -0.06 -2.19 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 1r3w s GLN 215 CO -0.00 0.28 0.07 -1.17 -0.55 0.00 0.00 175.29 173.92 1r3w s LEU 216 N 0.08 3.50 -0.55 3.68 2.96 0.16 -2.20 118.68 126.31 1r3w s LEU 216 Ca -0.11 -0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.44 1r3w s LEU 216 Cb -0.16 -1.93 0.08 0.00 0.50 0.00 0.00 46.19 44.68 1r3w s LEU 216 CO 0.06 -0.01 0.67 -0.36 -1.32 0.00 0.00 176.35 175.39 1r3w s PHE 217 N 1.47 3.01 -1.18 5.38 0.40 -0.16 -1.84 117.98 125.06 1r3w s PHE 217 Ca 0.06 -0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 55.58 1r3w s PHE 217 Cb -0.15 -3.80 0.23 0.00 0.51 0.00 0.00 43.02 39.81 1r3w s PHE 217 CO 0.04 -1.18 1.87 -1.91 0.70 0.00 0.00 175.22 174.73 1r3w n GLU 218 N 6.30 4.49 0.28 0.44 4.07 0.20 -1.12 120.64 135.29 1r3w n GLU 218 Ca -0.08 -4.06 0.17 0.00 -0.06 0.00 0.00 57.16 53.13 1r3w n GLU 218 Cb 0.44 -2.64 0.81 0.00 -0.06 0.00 0.00 31.44 29.99 1r3w n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1r3w h SER 219 N 5.07 0.00 -0.37 4.31 0.02 -1.89 -2.43 113.55 118.25 1r3w h SER 219 Ca 0.44 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.35 1r3w h SER 219 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1r3w h SER 219 CO 1.42 0.05 0.02 1.41 -1.14 0.00 0.00 176.83 178.59 1r3w n HIS 220 N -3.27 1.31 -0.29 3.45 8.25 -1.26 -4.44 115.22 118.96 1r3w n HIS 220 Ca -0.01 -0.93 0.05 0.00 -0.26 0.00 0.00 57.72 56.56 1r3w n HIS 220 Cb 0.24 -0.40 0.25 0.00 1.12 0.00 0.00 29.99 31.20 1r3w n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r3w h ALA 221 N 2.24 1.54 0.00 -1.41 0.00 -1.56 -3.14 119.26 116.93 1r3w h ALA 221 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r3w h ALA 221 Cb 1.65 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1r3w h ALA 221 CO 0.33 0.32 0.00 0.78 0.00 0.00 0.00 179.25 180.68 1r3w h GLY 222 N 0.99 0.00 2.00 0.00 0.00 -1.60 -2.32 103.07 102.14 1r3w h GLY 222 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1r3w h GLY 222 CO -0.15 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.84 1r3w h HIS 223 N 0.00 0.00 -0.00 5.60 3.86 -1.87 -3.40 115.15 119.34 1r3w h HIS 223 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r3w h HIS 223 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1r3w h HIS 223 CO 0.00 0.00 -0.38 1.28 0.86 0.00 0.00 177.93 179.69 1r3w n LEU 224 N -2.39 0.43 -0.02 2.43 4.77 -0.87 -5.06 117.00 116.29 1r3w n LEU 224 Ca 0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1r3w n LEU 224 Cb 0.27 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1r3w n LEU 224 CO 0.22 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1r3w n GLY 225 N 1.49 0.00 0.31 -0.72 0.00 -1.26 -3.80 105.19 101.21 1r3w n GLY 225 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1r3w n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3w h PRO 226 N -0.03 1.00 -0.13 1.61 0.11 -1.97 -0.81 132.00 131.78 1r3w h PRO 226 Ca 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1r3w h PRO 226 Cb 0.12 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1r3w h PRO 226 CO 0.00 0.66 0.02 1.96 -0.21 0.00 0.00 178.00 180.44 1r3w h GLN 227 N 1.03 0.22 -0.32 1.05 4.20 -2.00 -0.78 115.11 118.51 1r3w h GLN 227 Ca 0.32 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.84 1r3w h GLN 227 Cb -0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1r3w h GLN 227 CO -0.11 0.40 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.06 1r3w h LEU 228 N 0.01 0.74 -0.34 1.46 3.38 -1.64 -2.31 115.31 116.61 1r3w h LEU 228 Ca 0.04 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1r3w h LEU 228 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1r3w h LEU 228 CO 0.00 1.01 0.20 0.15 0.09 0.00 0.00 178.44 179.90 1r3w h PHE 229 N 0.60 0.45 0.00 1.13 3.57 -0.96 -0.64 116.94 121.09 1r3w h PHE 229 Ca 0.06 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1r3w h PHE 229 Cb 0.85 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1r3w h PHE 229 CO 0.04 0.32 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.24 1r3w h ASN 230 N 0.44 0.00 0.23 0.41 2.35 -1.03 0.40 115.58 118.38 1r3w h ASN 230 Ca 0.12 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.55 1r3w h ASN 230 Cb 0.01 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.41 1r3w h ASN 230 CO -0.02 0.30 -1.42 0.11 -1.65 0.00 0.00 177.43 174.74 1r3w h LYS 231 N 0.00 0.49 0.00 0.81 1.57 -1.07 -3.39 116.57 114.98 1r3w h LYS 231 Ca -0.00 -0.83 -0.04 0.00 -1.87 0.00 0.00 60.65 57.91 1r3w h LYS 231 Cb 0.54 0.31 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1r3w h LYS 231 CO 0.04 1.40 -1.20 1.19 -0.57 0.00 0.00 179.45 180.31 1r3w n PHE 232 N -3.77 0.00 -0.12 -1.35 3.01 -0.28 -4.71 117.46 110.24 1r3w n PHE 232 Ca -0.18 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.03 1r3w n PHE 232 Cb 1.06 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 40.32 1r3w n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3w n ALA 233 N -1.92 1.43 -0.17 4.37 0.00 -0.47 -4.70 120.51 119.04 1r3w n ALA 233 Ca -0.03 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.43 1r3w n ALA 233 Cb 0.40 0.18 0.07 0.00 0.00 0.00 0.00 19.45 20.10 1r3w n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r3w h LEU 234 N -0.86 0.25 -1.12 0.00 5.85 -1.19 -2.06 115.31 116.17 1r3w h LEU 234 Ca -0.58 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.25 1r3w h LEU 234 Cb 1.50 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 1r3w h LEU 234 CO -0.35 0.17 0.60 -0.65 -0.34 0.00 0.00 178.44 177.87 1r3w h PRO 235 N 0.41 1.05 0.06 5.25 0.11 -1.82 -0.93 132.00 136.13 1r3w h PRO 235 Ca 0.25 -0.06 -0.24 0.00 0.11 0.00 0.00 66.00 66.06 1r3w h PRO 235 Cb 0.25 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1r3w h PRO 235 CO -0.24 0.69 -1.07 1.88 -0.21 0.00 0.00 178.00 179.06 1r3w h TYR 236 N 1.08 0.50 -0.39 0.65 -1.99 -1.78 -1.12 116.97 113.93 1r3w h TYR 236 Ca 0.39 -0.32 0.04 0.00 2.00 0.00 0.00 58.73 60.84 1r3w h TYR 236 Cb 0.15 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 1r3w h TYR 236 CO -0.00 1.18 0.15 0.82 -0.00 0.00 0.00 178.16 180.31 1r3w h ILE 237 N 0.14 0.91 -0.69 -2.88 2.04 -1.01 -0.97 117.51 115.04 1r3w h ILE 237 Ca -0.10 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1r3w h ILE 237 Cb 1.74 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1r3w h ILE 237 CO 0.18 0.06 0.34 0.03 0.00 0.00 0.00 178.15 178.76 1r3w h ARG 238 N 0.32 0.99 0.00 2.37 3.08 -1.08 -2.98 114.38 117.08 1r3w h ARG 238 Ca 0.17 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1r3w h ARG 238 Cb 0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1r3w h ARG 238 CO -0.16 0.77 -0.28 0.22 -1.07 0.00 0.00 179.97 179.45 1r3w h ASP 239 N 0.96 0.00 -0.07 7.04 -0.00 -0.87 -1.79 116.42 121.68 1r3w h ASP 239 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.26 1r3w h ASP 239 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.43 1r3w h ASP 239 CO -0.03 0.28 0.01 0.58 -0.00 0.00 0.00 179.24 180.08 1r3w h VAL 240 N 0.00 1.21 -0.32 2.25 2.07 -1.04 -2.20 116.25 118.22 1r3w h VAL 240 Ca -0.00 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1r3w h VAL 240 Cb 0.97 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1r3w h VAL 240 CO 0.04 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.90 1r3w h ALA 241 N 0.78 0.42 -0.32 1.67 0.00 -1.39 -1.11 119.26 119.31 1r3w h ALA 241 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r3w h ALA 241 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1r3w h ALA 241 CO 0.00 0.06 0.16 -0.22 0.00 0.00 0.00 179.25 179.25 1r3w h LYS 242 N 0.36 0.45 -0.09 0.00 3.64 -1.34 -2.14 116.57 117.44 1r3w h LYS 242 Ca 0.10 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 1r3w h LYS 242 Cb 0.26 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1r3w h LYS 242 CO -0.00 0.42 -0.74 1.96 -2.27 0.00 0.00 179.45 178.81 1r3w h GLN 243 N 0.38 0.49 -0.14 1.90 4.20 -1.36 -1.64 115.11 118.93 1r3w h GLN 243 Ca 0.11 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1r3w h GLN 243 Cb 0.11 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1r3w h GLN 243 CO -0.01 1.03 0.03 0.28 -0.67 0.00 0.00 178.83 179.49 1r3w h VAL 244 N 0.33 1.21 -0.72 -0.54 2.07 -1.11 -1.40 116.25 116.10 1r3w h VAL 244 Ca -0.04 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.87 1r3w h VAL 244 Cb 1.33 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 1r3w h VAL 244 CO 0.13 0.19 0.44 0.11 0.02 0.00 0.00 177.57 178.47 1r3w h LYS 245 N 0.02 0.81 -0.25 1.57 1.57 -1.34 -1.53 116.57 117.42 1r3w h LYS 245 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1r3w h LYS 245 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1r3w h LYS 245 CO 0.00 0.54 0.11 0.00 -0.57 0.00 0.00 179.45 179.53 1r3w h ALA 246 N 1.32 0.32 -0.68 3.86 0.00 -1.11 -1.84 119.26 121.14 1r3w h ALA 246 Ca 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1r3w h ALA 246 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1r3w h ALA 246 CO -0.13 -0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.19 1r3w h ARG 247 N 0.26 1.08 -0.55 0.00 3.08 -1.08 -1.44 114.38 115.74 1r3w h ARG 247 Ca 0.08 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1r3w h ARG 247 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1r3w h ARG 247 CO -0.01 0.95 0.21 -0.07 -1.07 0.00 0.00 179.97 179.99 1r3w h LEU 248 N 1.01 0.77 -0.84 3.04 3.38 -1.09 -1.74 115.31 119.85 1r3w h LEU 248 Ca 0.21 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1r3w h LEU 248 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1r3w h LEU 248 CO -0.00 0.74 0.17 0.03 0.09 0.00 0.00 178.44 179.47 1r3w h ARG 249 N 0.76 1.04 -0.00 1.13 3.08 -1.14 -1.11 114.38 118.14 1r3w h ARG 249 Ca 0.18 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1r3w h ARG 249 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1r3w h ARG 249 CO -0.01 0.91 -0.38 0.93 -1.07 0.00 0.00 179.97 180.34 1r3w h GLU 250 N 0.99 0.00 -0.06 0.04 5.08 -1.08 -2.08 114.58 117.47 1r3w h GLU 250 Ca 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1r3w h GLU 250 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1r3w h GLU 250 CO -0.00 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.39 1r3w n ALA 251 N -2.47 2.58 -0.74 3.43 0.00 -0.67 -4.90 120.51 117.74 1r3w n ALA 251 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1r3w n ALA 251 Cb 0.42 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1r3w n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3w n GLY 252 N 1.02 0.59 3.80 0.00 0.00 -0.78 -5.04 105.19 104.78 1r3w n GLY 252 Ca 0.17 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1r3w n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3w s LEU 253 N 0.00 3.75 0.42 0.99 1.43 -0.46 -5.02 118.68 119.79 1r3w s LEU 253 Ca 0.00 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1r3w s LEU 253 Cb 0.00 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1r3w s LEU 253 CO 0.00 -0.03 0.90 0.00 0.23 0.00 0.00 176.35 177.44 1r3w s ALA 254 N -2.15 3.13 0.65 4.21 0.00 -1.26 -4.02 121.76 122.31 1r3w s ALA 254 Ca 0.33 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1r3w s ALA 254 Cb -0.08 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1r3w s ALA 254 CO 0.24 0.09 1.13 -1.25 0.00 0.00 0.00 175.76 175.97 1r3w s PRO 255 N -3.36 2.82 0.28 0.00 0.04 -1.26 -4.95 135.00 128.56 1r3w s PRO 255 Ca 0.59 1.48 0.11 0.00 0.04 0.00 0.00 61.00 63.21 1r3w s PRO 255 Cb -0.10 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1r3w s PRO 255 CO 0.19 -1.25 -0.10 0.14 0.04 0.00 0.00 177.00 176.02 1r3w s VAL 256 N -2.19 2.91 0.32 -0.36 -7.23 -1.26 -5.07 120.40 107.53 1r3w s VAL 256 Ca 0.69 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 1r3w s VAL 256 Cb -0.22 -2.58 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 1r3w s VAL 256 CO 0.39 -0.37 1.25 -2.16 -0.31 0.00 0.00 175.10 173.90 1r3w s PRO 257 N -3.60 4.40 -0.04 4.82 0.04 -1.26 -4.86 135.00 134.51 1r3w s PRO 257 Ca 0.31 2.10 0.07 0.00 0.04 0.00 0.00 61.00 63.51 1r3w s PRO 257 Cb -0.05 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 1r3w s PRO 257 CO 0.18 -0.10 -0.24 -1.64 0.04 0.00 0.00 177.00 175.23 1r3w s MET 258 N -1.74 2.34 -0.12 4.56 -1.94 -1.26 -1.77 119.30 119.37 1r3w s MET 258 Ca 0.48 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.58 1r3w s MET 258 Cb -0.37 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.33 1r3w s MET 258 CO 0.49 0.49 -0.17 0.42 -0.01 0.00 0.00 175.02 176.25 1r3w s ILE 259 N -0.43 2.74 -0.20 2.53 1.01 0.34 -1.46 121.20 125.73 1r3w s ILE 259 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1r3w s ILE 259 Cb -0.12 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1r3w s ILE 259 CO 0.01 0.54 -0.01 -0.51 0.00 0.00 0.00 174.94 174.97 1r3w s ILE 260 N 0.32 3.90 -0.32 2.92 1.10 -0.43 -0.66 121.20 128.04 1r3w s ILE 260 Ca -0.13 -0.33 0.03 0.00 -0.51 0.00 0.00 60.65 59.71 1r3w s ILE 260 Cb -0.16 -2.76 0.09 0.00 0.15 0.00 0.00 42.46 39.77 1r3w s ILE 260 CO 0.07 0.43 0.02 0.12 -2.11 0.00 0.00 174.94 173.47 1r3w s PHE 261 N 0.97 3.57 -0.57 3.50 5.36 -0.77 -0.73 117.98 129.33 1r3w s PHE 261 Ca 0.01 -2.68 -0.10 0.00 -0.96 0.00 0.00 56.93 53.20 1r3w s PHE 261 Cb -0.14 -2.62 0.14 0.00 -0.34 0.00 0.00 43.02 40.07 1r3w s PHE 261 CO 0.02 -0.92 0.46 0.00 -1.46 0.00 0.00 175.22 173.31 1r3w s ALA 262 N 1.00 3.58 0.21 11.12 0.00 -1.26 -0.63 121.76 135.79 1r3w s ALA 262 Ca 0.04 -2.78 -0.30 0.00 0.00 0.00 0.00 51.96 48.92 1r3w s ALA 262 Cb -0.20 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 1r3w s ALA 262 CO -0.06 -2.02 1.27 0.21 0.00 0.00 0.00 175.76 175.16 1r3w s LYS 263 N 1.00 4.43 -1.88 0.00 2.20 -0.94 -1.47 119.74 123.08 1r3w s LYS 263 Ca 0.09 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1r3w s LYS 263 Cb -0.23 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1r3w s LYS 263 CO -0.02 -0.18 0.00 -0.25 -0.36 0.00 0.00 175.35 174.54 1r3w n ASP 264 N 2.33 -5.55 -2.08 1.43 8.00 -1.26 -2.50 116.55 116.92 1r3w n ASP 264 Ca 0.05 0.21 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 1r3w n ASP 264 Cb 0.43 -4.67 0.13 0.00 -0.02 0.00 0.00 41.12 36.99 1r3w n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3w n GLY 265 N -0.80 4.43 0.37 0.44 0.00 -0.54 -3.92 105.19 105.17 1r3w n GLY 265 Ca -0.22 -1.19 0.22 0.00 0.00 0.00 0.00 46.02 44.83 1r3w n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1r3w h HIS 266 N 1.10 0.86 0.00 1.61 2.07 -1.91 -0.73 115.15 118.15 1r3w h HIS 266 Ca 0.53 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 1r3w h HIS 266 Cb 2.13 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 31.87 1r3w h HIS 266 CO 1.33 -0.01 0.00 1.97 -3.07 0.00 0.00 177.93 178.15 1r3w n PHE 267 N -4.83 0.25 0.11 6.12 1.16 -1.26 -3.23 117.46 115.78 1r3w n PHE 267 Ca 0.28 0.09 0.04 0.00 -1.87 0.00 0.00 57.45 55.99 1r3w n PHE 267 Cb 0.89 -0.65 0.07 0.00 -1.61 0.00 0.00 39.48 38.18 1r3w n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3w n ALA 268 N -1.58 2.31 -0.31 1.98 0.00 -0.28 -4.77 120.51 117.86 1r3w n ALA 268 Ca 0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 53.44 52.63 1r3w n ALA 268 Cb 0.24 -0.28 0.08 0.00 0.00 0.00 0.00 19.45 19.50 1r3w n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r3w h LEU 269 N 1.44 0.96 -0.38 0.00 3.38 -1.56 0.32 115.31 119.47 1r3w h LEU 269 Ca 0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1r3w h LEU 269 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1r3w h LEU 269 CO 0.00 0.70 0.23 -0.08 0.09 0.00 0.00 178.44 179.38 1r3w h GLU 270 N 1.14 0.46 -0.32 1.13 4.81 -1.86 -1.55 114.58 118.39 1r3w h GLU 270 Ca 0.31 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1r3w h GLU 270 Cb -0.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1r3w h GLU 270 CO -0.07 0.30 0.09 0.93 -0.73 0.00 0.00 179.01 179.54 1r3w h GLU 271 N 0.47 0.49 -0.33 1.92 4.39 -1.76 -2.99 114.58 116.78 1r3w h GLU 271 Ca 0.14 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.76 1r3w h GLU 271 Cb -0.02 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1r3w h GLU 271 CO -0.05 0.55 0.22 -0.07 -1.16 0.00 0.00 179.01 178.49 1r3w h LEU 272 N 0.35 0.29 -0.88 1.33 3.38 -0.72 0.13 115.31 119.19 1r3w h LEU 272 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1r3w h LEU 272 Cb 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1r3w h LEU 272 CO -0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1r3w h ALA 273 N 1.81 1.00 -0.39 1.53 0.00 -1.13 -2.52 119.26 119.56 1r3w h ALA 273 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1r3w h ALA 273 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r3w h ALA 273 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1r3w n GLN 274 N -2.39 2.49 -0.09 0.00 6.02 0.41 -4.69 117.38 119.13 1r3w n GLN 274 Ca 0.02 -2.09 0.11 0.00 -0.01 0.00 0.00 57.00 55.02 1r3w n GLN 274 Cb 0.23 -1.36 0.33 0.00 1.02 0.00 0.00 30.24 30.47 1r3w n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3w n ALA 275 N 0.90 2.50 -0.39 -1.58 0.00 -0.95 -4.91 120.51 116.07 1r3w n ALA 275 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1r3w n ALA 275 Cb 0.47 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1r3w n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3w n GLY 276 N 1.24 0.94 3.53 0.00 0.00 -1.26 -4.44 105.19 105.20 1r3w n GLY 276 Ca 0.17 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1r3w n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r3w s TYR 277 N -2.00 2.91 0.33 1.61 1.51 -1.26 -4.85 117.35 115.59 1r3w s TYR 277 Ca 0.00 -0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 1r3w s TYR 277 Cb 0.00 -1.76 0.57 0.00 -0.11 0.00 0.00 41.96 40.66 1r3w s TYR 277 CO 0.00 0.18 1.77 0.93 -1.11 0.00 0.00 175.55 177.32 1r3w h GLU 278 N 5.70 0.19 -4.78 -0.62 3.07 -1.58 -3.44 114.58 113.12 1r3w h GLU 278 Ca -0.42 -0.08 -0.49 0.00 -0.50 0.00 0.00 59.36 57.87 1r3w h GLU 278 Cb 1.18 -0.01 -0.32 0.00 -0.84 0.00 0.00 28.75 28.76 1r3w h GLU 278 CO 0.54 0.52 -0.81 0.08 -1.40 0.00 0.00 179.01 177.95 1r3w s VAL 279 N -4.26 1.05 -0.22 3.13 1.01 -0.88 -1.40 120.40 118.81 1r3w s VAL 279 Ca -0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1r3w s VAL 279 Cb 0.14 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1r3w s VAL 279 CO 0.75 0.32 -0.06 -0.69 0.00 0.00 0.00 175.10 175.43 1r3w s VAL 280 N 0.27 3.19 0.15 2.92 1.01 -0.04 -1.31 120.40 126.59 1r3w s VAL 280 Ca -0.06 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1r3w s VAL 280 Cb -0.11 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 1r3w s VAL 280 CO 0.02 0.38 0.62 -0.83 0.00 0.00 0.00 175.10 175.29 1r3w s GLY 281 N 1.44 2.61 0.05 4.51 0.00 0.10 -1.40 107.32 114.61 1r3w s GLY 281 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 44.72 44.89 1r3w s GLY 281 CO -0.04 0.41 -0.22 1.08 0.00 0.00 0.00 173.10 174.33 1r3w s LEU 282 N -1.64 2.17 0.87 0.66 1.43 0.19 -4.14 118.68 118.22 1r3w s LEU 282 Ca 0.36 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 1r3w s LEU 282 Cb -0.17 -1.03 0.13 0.00 0.03 0.00 0.00 46.19 45.15 1r3w s LEU 282 CO 0.20 0.17 1.24 1.51 0.23 0.00 0.00 176.35 179.70 1r3w s ASP 283 N -1.21 3.91 0.00 2.29 1.47 -1.26 -4.41 116.67 117.46 1r3w s ASP 283 Ca 0.08 0.57 0.28 0.00 1.18 0.00 0.00 52.55 54.66 1r3w s ASP 283 Cb -0.09 -0.88 1.43 0.00 -0.34 0.00 0.00 42.92 43.04 1r3w s ASP 283 CO 0.02 -2.26 1.96 -2.67 0.68 0.00 0.00 175.17 172.90 1r3w n TRP 284 N -3.51 0.00 0.83 2.11 2.14 -1.23 -3.45 117.44 114.33 1r3w n TRP 284 Ca 0.11 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.80 1r3w n TRP 284 Cb 0.60 -0.26 0.29 0.00 -0.81 0.00 0.00 31.31 31.14 1r3w n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1r3w n THR 285 N -1.26 0.16 -3.53 -1.67 -2.24 -1.26 -4.76 114.28 99.72 1r3w n THR 285 Ca 0.14 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1r3w n THR 285 Cb 0.21 -0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1r3w n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r3w s VAL 286 N -3.06 5.28 0.14 2.28 1.01 -1.22 -5.05 120.40 119.77 1r3w s VAL 286 Ca 0.10 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 1r3w s VAL 286 Cb 0.16 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1r3w s VAL 286 CO 0.67 0.26 1.58 0.00 0.00 0.00 0.00 175.10 177.62 1r3w s ALA 287 N 1.53 3.74 0.27 5.51 0.00 -1.26 -4.85 121.76 126.70 1r3w s ALA 287 Ca 0.11 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1r3w s ALA 287 Cb -0.15 -3.64 0.59 0.00 0.00 0.00 0.00 23.12 19.92 1r3w s ALA 287 CO 0.08 -0.86 1.74 -1.35 0.00 0.00 0.00 175.76 175.37 1r3w h PRO 288 N 7.24 0.53 -0.40 0.00 0.11 -1.95 -0.50 132.00 137.02 1r3w h PRO 288 Ca -0.43 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1r3w h PRO 288 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1r3w h PRO 288 CO 0.92 0.35 -0.04 0.87 -0.21 0.00 0.00 178.00 179.88 1r3w h LYS 289 N 0.54 0.67 -0.57 1.05 1.57 -1.91 -0.38 116.57 117.55 1r3w h LYS 289 Ca 0.49 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1r3w h LYS 289 Cb 0.79 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1r3w h LYS 289 CO -0.42 0.72 -0.06 0.87 -0.57 0.00 0.00 179.45 179.99 1r3w h LYS 290 N 0.63 1.04 -0.54 3.15 1.57 -1.53 -2.39 116.57 118.50 1r3w h LYS 290 Ca 0.12 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1r3w h LYS 290 Cb 0.46 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1r3w h LYS 290 CO 0.02 1.06 0.35 0.00 -0.57 0.00 0.00 179.45 180.30 1r3w h ALA 291 N 0.97 0.69 -0.91 3.86 0.00 -0.69 -1.91 119.26 121.27 1r3w h ALA 291 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1r3w h ALA 291 Cb 0.63 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1r3w h ALA 291 CO 0.04 0.14 0.60 -0.09 0.00 0.00 0.00 179.25 179.94 1r3w h ARG 292 N 0.73 1.15 -0.62 0.00 9.65 -0.93 -1.07 114.38 123.29 1r3w h ARG 292 Ca 0.20 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.93 1r3w h ARG 292 Cb -0.06 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.24 1r3w h ARG 292 CO -0.04 0.76 0.09 0.93 2.80 0.00 0.00 179.97 184.51 1r3w h GLU 293 N 1.18 1.02 -0.27 0.20 5.08 -1.16 -1.25 114.58 119.38 1r3w h GLU 293 Ca 0.35 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1r3w h GLU 293 Cb -0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1r3w h GLU 293 CO -0.10 0.95 0.05 0.00 -1.00 0.00 0.00 179.01 178.91 1r3w n VAL 295 N -4.67 0.55 -3.56 0.00 0.24 -0.48 -4.16 118.33 106.24 1r3w n VAL 295 Ca -0.03 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1r3w n VAL 295 Cb 0.20 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1r3w n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r3w n GLY 296 N 1.21 -1.82 0.17 7.63 0.00 -0.48 -4.63 105.19 107.26 1r3w n GLY 296 Ca 0.00 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.69 1r3w n GLY 296 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3w n LYS 297 N 0.00 0.50 -0.07 1.61 5.02 -1.26 -4.39 118.16 119.57 1r3w n LYS 297 Ca 0.00 -0.34 -0.07 0.00 -2.02 0.00 0.00 58.31 55.88 1r3w n LYS 297 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 1r3w n LYS 297 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1r3w h THR 298 N 0.84 0.38 -4.25 -0.18 2.02 -1.98 -3.48 112.91 106.25 1r3w h THR 298 Ca 0.00 -1.35 -0.50 0.00 0.77 0.00 0.00 66.41 65.33 1r3w h THR 298 Cb 0.55 0.79 0.06 0.00 -1.74 0.00 0.00 68.15 67.81 1r3w h THR 298 CO 0.00 0.13 0.38 0.68 0.37 0.00 0.00 175.52 177.08 1r3w s VAL 299 N -2.00 4.12 0.05 3.16 -7.23 -1.26 -4.90 120.40 112.34 1r3w s VAL 299 Ca -0.12 0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 60.75 1r3w s VAL 299 Cb 0.01 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.37 1r3w s VAL 299 CO 0.26 -0.71 0.53 -0.89 -0.31 0.00 0.00 175.10 173.97 1r3w s THR 300 N -2.73 4.81 0.01 5.32 2.01 -0.50 -4.93 115.64 119.64 1r3w s THR 300 Ca 0.60 1.12 -0.04 0.00 0.31 0.00 0.00 61.69 63.69 1r3w s THR 300 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1r3w s THR 300 CO 0.42 0.56 0.22 -0.76 -0.69 0.00 0.00 174.62 174.38 1r3w s LEU 301 N -1.08 4.36 -0.02 4.42 1.43 -0.47 -0.86 118.68 126.47 1r3w s LEU 301 Ca 0.28 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 1r3w s LEU 301 Cb -0.19 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1r3w s LEU 301 CO 0.18 0.24 -0.15 -1.58 0.23 0.00 0.00 176.35 175.26 1r3w s GLN 302 N -1.95 1.34 0.00 1.70 0.74 -0.49 -1.02 119.66 119.98 1r3w s GLN 302 Ca 0.29 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1r3w s GLN 302 Cb -0.13 -1.27 0.00 0.00 1.10 0.00 0.00 33.01 32.72 1r3w s GLN 302 CO 0.19 0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.64 1r3w n GLY 303 N 2.82 0.80 1.59 2.59 0.00 -0.69 -0.64 105.19 111.67 1r3w n GLY 303 Ca -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 43.98 1r3w n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r3w n ASN 304 N 0.00 0.62 -4.74 1.61 6.94 -0.87 -2.09 115.26 116.73 1r3w n ASN 304 Ca 0.00 -2.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.13 1r3w n ASN 304 Cb 0.00 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.22 1r3w n ASN 304 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1r3w s LEU 305 N -0.54 4.35 -0.39 -4.53 2.96 -1.01 -3.29 118.68 116.24 1r3w s LEU 305 Ca 0.26 2.92 -0.43 0.00 -0.22 0.00 0.00 54.13 56.66 1r3w s LEU 305 Cb 0.31 -3.62 -0.18 0.00 0.50 0.00 0.00 46.19 43.21 1r3w s LEU 305 CO -0.12 -0.94 1.71 -0.67 -1.32 0.00 0.00 176.35 175.00 1r3w n ASP 306 N 2.96 1.79 -0.18 3.68 2.03 -1.26 -0.06 116.55 125.51 1r3w n ASP 306 Ca 0.12 1.09 0.09 0.00 0.52 0.00 0.00 54.79 56.61 1r3w n ASP 306 Cb 0.36 -1.02 0.40 0.00 -0.72 0.00 0.00 41.12 40.14 1r3w n ASP 306 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1r3w h PRO 307 N 6.44 0.64 0.00 -0.67 0.10 -1.89 -0.52 132.00 136.09 1r3w h PRO 307 Ca -0.43 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 65.63 1r3w h PRO 307 Cb 1.35 -0.14 -0.00 0.00 0.10 0.00 0.00 31.00 32.30 1r3w h PRO 307 CO 0.98 0.42 -0.01 0.00 0.10 0.00 0.00 178.00 179.49 1r3w h ALA 309 N 1.99 1.90 0.00 0.00 0.00 -1.44 -0.72 119.26 120.99 1r3w h ALA 309 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3w h ALA 309 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1r3w h ALA 309 CO 0.00 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.19 1r3w n LEU 310 N -3.89 0.00 0.15 0.00 4.77 -0.58 -1.34 117.00 116.11 1r3w n LEU 310 Ca 0.02 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1r3w n LEU 310 Cb 0.36 -0.47 0.38 0.00 -2.33 0.00 0.00 43.42 41.35 1r3w n LEU 310 CO 0.29 -0.28 0.87 1.88 -1.33 0.00 0.00 177.39 178.82 1r3w h TYR 311 N 0.00 0.00 -3.99 -1.77 0.99 -1.34 -3.44 116.97 107.42 1r3w h TYR 311 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 1r3w h TYR 311 Cb 0.19 0.00 0.15 0.00 1.00 0.00 0.00 36.73 38.07 1r3w h TYR 311 CO 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 178.16 178.41 1r3w s ALA 312 N -3.18 1.35 0.81 3.88 0.00 -0.45 -5.02 121.76 119.15 1r3w s ALA 312 Ca 0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1r3w s ALA 312 Cb 0.10 -3.02 0.08 0.00 0.00 0.00 0.00 23.12 20.28 1r3w s ALA 312 CO 0.59 -2.69 1.10 -1.54 0.00 0.00 0.00 175.76 173.22 1r3w s SER 313 N -3.89 4.12 0.26 0.00 1.04 -1.26 -4.76 113.70 109.20 1r3w s SER 313 Ca 0.66 1.90 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 1r3w s SER 313 Cb -0.14 -2.53 0.36 0.00 0.10 0.00 0.00 66.02 63.81 1r3w s SER 313 CO 0.55 -2.29 1.88 -0.33 0.98 0.00 0.00 173.24 174.03 1r3w h GLU 314 N -1.31 1.11 -0.54 4.02 5.08 -1.95 -0.13 114.58 120.86 1r3w h GLU 314 Ca -0.43 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1r3w h GLU 314 Cb 1.24 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1r3w h GLU 314 CO 0.49 0.73 0.33 1.49 -1.00 0.00 0.00 179.01 181.06 1r3w h GLU 315 N 1.14 0.73 -0.67 2.33 4.81 -2.00 -1.94 114.58 118.98 1r3w h GLU 315 Ca 0.40 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1r3w h GLU 315 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1r3w h GLU 315 CO -0.16 0.52 0.28 0.93 -0.73 0.00 0.00 179.01 179.85 1r3w h GLU 316 N 0.73 1.00 -0.94 1.92 5.08 -1.71 -2.30 114.58 118.36 1r3w h GLU 316 Ca 0.20 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1r3w h GLU 316 Cb -0.03 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 1r3w h GLU 316 CO -0.04 0.82 0.59 0.82 -1.00 0.00 0.00 179.01 180.20 1r3w h ILE 317 N 0.95 1.25 -0.95 3.13 2.04 -0.82 -0.57 117.51 122.54 1r3w h ILE 317 Ca 0.23 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1r3w h ILE 317 Cb 0.19 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 1r3w h ILE 317 CO -0.02 0.25 0.60 1.23 0.00 0.00 0.00 178.15 180.21 1r3w h GLY 318 N 1.29 1.36 1.13 5.37 0.00 -0.81 -0.75 103.07 110.65 1r3w h GLY 318 Ca 0.34 -0.54 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1r3w h GLY 318 CO -0.07 0.53 -0.64 1.46 0.00 0.00 0.00 176.54 177.82 1r3w h GLN 319 N 1.30 0.81 -0.80 4.80 4.20 -1.03 -0.81 115.11 123.58 1r3w h GLN 319 Ca 0.34 -0.59 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1r3w h GLN 319 Cb -0.10 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1r3w h GLN 319 CO -0.07 1.21 0.38 -0.07 -0.67 0.00 0.00 178.83 179.61 1r3w h LEU 320 N 0.55 1.04 -0.40 1.46 3.38 -0.87 -1.83 115.31 118.65 1r3w h LEU 320 Ca -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1r3w h LEU 320 Cb 1.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1r3w h LEU 320 CO 0.14 0.89 0.17 0.58 0.09 0.00 0.00 178.44 180.30 1r3w h VAL 321 N 1.13 1.19 -0.57 1.22 2.07 -1.07 -0.80 116.25 119.43 1r3w h VAL 321 Ca 0.27 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1r3w h VAL 321 Cb 0.12 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1r3w h VAL 321 CO -0.03 0.21 0.30 0.50 0.02 0.00 0.00 177.57 178.57 1r3w h LYS 322 N 0.51 0.55 -0.44 1.57 3.64 -0.87 -0.70 116.57 120.83 1r3w h LYS 322 Ca 0.13 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1r3w h LYS 322 Cb 0.17 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1r3w h LYS 322 CO -0.01 0.37 0.13 0.37 -2.27 0.00 0.00 179.45 178.04 1r3w h GLN 323 N 0.57 0.68 -0.23 1.90 5.75 -1.14 -0.99 115.11 121.65 1r3w h GLN 323 Ca 0.25 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1r3w h GLN 323 Cb 0.15 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1r3w h GLN 323 CO -0.17 0.66 -0.01 1.98 -2.65 0.00 0.00 178.83 178.64 1r3w h MET 324 N 0.57 0.05 -0.21 1.69 4.05 -0.70 -2.05 114.93 118.33 1r3w h MET 324 Ca 0.14 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1r3w h MET 324 Cb 0.27 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1r3w h MET 324 CO -0.00 0.04 -0.23 -0.07 0.23 0.00 0.00 176.91 176.87 1r3w h LEU 325 N 0.06 0.37 -0.67 3.39 4.07 -0.92 -1.52 115.31 120.09 1r3w h LEU 325 Ca 0.11 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.96 1r3w h LEU 325 Cb 0.14 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1r3w h LEU 325 CO -0.19 0.61 0.44 0.44 -1.08 0.00 0.00 178.44 178.66 1r3w h ASP 326 N 0.34 0.76 -0.47 -0.43 3.32 -0.83 0.09 116.42 119.20 1r3w h ASP 326 Ca 0.05 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1r3w h ASP 326 Cb 0.60 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1r3w h ASP 326 CO 0.04 0.55 -0.11 0.44 -1.72 0.00 0.00 179.24 178.44 1r3w h ASP 327 N 0.90 0.91 0.34 6.45 5.19 -0.79 -3.20 116.42 126.21 1r3w h ASP 327 Ca 0.25 -0.36 -0.21 0.00 -0.62 0.00 0.00 57.03 56.09 1r3w h ASP 327 Cb -0.10 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.16 1r3w h ASP 327 CO -0.06 1.06 -0.85 -0.26 -3.12 0.00 0.00 179.24 176.02 1r3w h PHE 328 N 0.75 0.54 -0.24 4.55 -1.00 -1.17 -3.39 116.94 116.99 1r3w h PHE 328 Ca 0.12 -0.27 0.03 0.00 2.81 0.00 0.00 57.97 60.65 1r3w h PHE 328 Cb 0.66 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1r3w h PHE 328 CO 0.05 1.07 -0.06 0.41 -1.61 0.00 0.00 178.31 178.17 1r3w n GLY 329 N 0.78 -1.84 0.20 -1.45 0.00 0.01 -4.64 105.19 98.24 1r3w n GLY 329 Ca -0.05 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.62 1r3w n GLY 329 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3w h PRO 330 N -0.10 0.00 -6.06 1.61 0.13 -1.93 -3.46 132.00 122.20 1r3w h PRO 330 Ca -0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1r3w h PRO 330 Cb 0.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.18 1r3w h PRO 330 CO 0.00 0.00 -0.34 -1.01 -0.23 0.00 0.00 178.00 176.43 1r3w s HIS 331 N -3.31 3.53 -1.31 1.56 3.76 -1.26 -4.58 115.29 113.69 1r3w s HIS 331 Ca 0.06 0.58 -0.02 0.00 -0.15 0.00 0.00 55.06 55.53 1r3w s HIS 331 Cb 0.08 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.77 1r3w s HIS 331 CO 0.60 0.52 0.84 0.54 -0.85 0.00 0.00 174.74 176.38 1r3w n ARG 332 N 0.56 -5.63 -3.73 1.40 1.74 -1.26 -4.92 116.66 104.82 1r3w n ARG 332 Ca -0.06 0.69 -0.12 0.00 -0.77 0.00 0.00 57.85 57.59 1r3w n ARG 332 Cb 0.52 -5.44 -0.12 0.00 -1.02 0.00 0.00 32.46 26.40 1r3w n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r3w s TYR 333 N -3.53 -0.36 -0.15 -1.55 5.04 -1.26 -1.37 117.35 114.18 1r3w s TYR 333 Ca 0.12 0.84 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 1r3w s TYR 333 Cb -0.06 0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.35 1r3w s TYR 333 CO 0.79 -0.23 -0.20 0.42 -1.34 0.00 0.00 175.55 174.98 1r3w s ILE 334 N 1.08 1.96 0.41 3.14 1.01 -0.19 -4.57 121.20 124.04 1r3w s ILE 334 Ca -0.08 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.43 1r3w s ILE 334 Cb -0.09 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.54 1r3w s ILE 334 CO -0.08 0.53 1.03 0.00 0.00 0.00 0.00 174.94 176.43 1r3w s ALA 335 N 1.00 3.06 0.26 9.38 0.00 -0.32 -1.70 121.76 133.45 1r3w s ALA 335 Ca -0.03 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 1r3w s ALA 335 Cb -0.15 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1r3w s ALA 335 CO -0.05 -0.18 0.94 1.21 0.00 0.00 0.00 175.76 177.68 1r3w s ASN 336 N -1.66 -0.00 0.87 0.00 3.84 -0.89 -2.55 114.94 114.54 1r3w s ASN 336 Ca 0.59 -0.85 -0.13 0.00 0.21 0.00 0.00 52.86 52.68 1r3w s ASN 336 Cb -0.20 0.64 0.13 0.00 -0.55 0.00 0.00 41.25 41.27 1r3w s ASN 336 CO 0.25 -1.26 1.23 -0.76 -2.79 0.00 0.00 177.10 173.77 1r3w s LEU 337 N -3.26 2.63 0.00 3.21 1.43 -1.26 -2.05 118.68 119.38 1r3w s LEU 337 Ca 0.19 0.50 0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1r3w s LEU 337 Cb -0.04 -2.79 1.35 0.00 0.03 0.00 0.00 46.19 44.74 1r3w s LEU 337 CO 0.08 -2.26 1.92 0.61 0.23 0.00 0.00 176.35 176.92 1r3w n GLY 338 N -3.48 -0.73 3.70 -3.19 0.00 0.92 -4.41 105.19 98.00 1r3w n GLY 338 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 1r3w n GLY 338 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r3w n HIS 339 N -0.69 -0.85 -1.63 1.61 -0.00 -1.26 -4.18 115.22 108.21 1r3w n HIS 339 Ca 0.18 -0.95 -0.32 0.00 -0.00 0.00 0.00 57.72 56.63 1r3w n HIS 339 Cb 0.26 0.45 0.05 0.00 -0.00 0.00 0.00 29.99 30.75 1r3w n HIS 339 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1r3w s GLY 340 N -3.57 1.94 0.42 1.57 0.00 -1.26 -4.61 107.32 101.80 1r3w s GLY 340 Ca 0.25 0.37 -0.26 0.00 0.00 0.00 0.00 44.72 45.08 1r3w s GLY 340 CO 0.02 0.71 1.35 1.04 0.00 0.00 0.00 173.10 176.22 1r3w n LEU 341 N -2.78 4.46 -4.91 0.66 4.77 -0.63 -4.89 117.00 113.69 1r3w n LEU 341 Ca 0.09 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.91 1r3w n LEU 341 Cb 0.53 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 1r3w n LEU 341 CO 0.50 -0.37 0.06 -0.31 -1.33 0.00 0.00 177.39 175.94 1r3w s TYR 342 N -1.18 3.47 0.59 -1.77 4.12 -1.26 -4.90 117.35 116.43 1r3w s TYR 342 Ca 0.60 0.51 0.32 0.00 0.02 0.00 0.00 57.07 58.52 1r3w s TYR 342 Cb -0.49 -1.98 1.91 0.00 -1.52 0.00 0.00 41.96 39.88 1r3w s TYR 342 CO 0.59 0.37 2.27 -1.35 0.02 0.00 0.00 175.55 177.45 1r3w h PRO 343 N 2.38 0.00 -0.54 -1.71 0.11 -1.95 -2.45 132.00 127.84 1r3w h PRO 343 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r3w h PRO 343 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r3w h PRO 343 CO 0.70 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1r3w n ASP 344 N -3.71 2.92 -4.88 -2.05 5.75 -1.26 -3.64 116.55 109.68 1r3w n ASP 344 Ca -0.03 -2.10 -0.30 0.00 -0.01 0.00 0.00 54.79 52.35 1r3w n ASP 344 Cb 0.09 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1r3w n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1r3w s MET 345 N -1.47 3.72 -0.27 0.11 -1.94 -0.92 -5.03 119.30 113.50 1r3w s MET 345 Ca 0.34 0.48 -0.18 0.00 -1.71 0.00 0.00 55.69 54.62 1r3w s MET 345 Cb 0.19 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.68 1r3w s MET 345 CO 0.21 -0.16 0.52 0.34 -0.01 0.00 0.00 175.02 175.92 1r3w s ASP 346 N -3.48 6.43 0.44 3.03 -1.08 -1.26 -4.79 116.67 115.96 1r3w s ASP 346 Ca 0.51 0.50 0.23 0.00 -0.52 0.00 0.00 52.55 53.27 1r3w s ASP 346 Cb -0.10 -2.28 1.21 0.00 -1.46 0.00 0.00 42.92 40.29 1r3w s ASP 346 CO 0.37 -0.30 1.79 -0.65 0.52 0.00 0.00 175.17 176.90 1r3w h PRO 347 N 8.04 0.28 -0.13 4.34 0.11 -1.96 -0.17 132.00 142.51 1r3w h PRO 347 Ca -0.29 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1r3w h PRO 347 Cb 1.14 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1r3w h PRO 347 CO 0.72 0.19 -0.21 0.93 -0.21 0.00 0.00 178.00 179.41 1r3w h GLU 348 N 0.29 0.23 -0.02 1.05 4.39 -1.97 -1.59 114.58 116.96 1r3w h GLU 348 Ca 0.56 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 60.05 1r3w h GLU 348 Cb 1.63 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.23 1r3w h GLU 348 CO -0.21 0.44 -0.68 0.45 -1.16 0.00 0.00 179.01 177.85 1r3w h HIS 349 N 0.21 0.12 -0.61 4.33 3.86 -1.36 -1.39 115.15 120.31 1r3w h HIS 349 Ca 0.04 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1r3w h HIS 349 Cb 0.50 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1r3w h HIS 349 CO 0.01 0.74 0.24 0.28 0.86 0.00 0.00 177.93 180.05 1r3w h VAL 350 N 0.06 1.23 -0.61 2.45 2.07 -1.15 -1.94 116.25 118.36 1r3w h VAL 350 Ca -0.01 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1r3w h VAL 350 Cb 1.21 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1r3w h VAL 350 CO 0.10 0.28 0.33 1.23 0.02 0.00 0.00 177.57 179.53 1r3w h GLY 351 N 0.84 0.88 1.46 2.17 0.00 -1.13 -1.64 103.07 105.65 1r3w h GLY 351 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1r3w h GLY 351 CO -0.02 0.13 0.22 0.00 0.00 0.00 0.00 176.54 176.88 1r3w h ALA 352 N 1.33 1.45 -0.00 3.60 0.00 -0.91 -1.05 119.26 123.67 1r3w h ALA 352 Ca 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r3w h ALA 352 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r3w h ALA 352 CO -0.18 0.43 0.00 0.35 0.00 0.00 0.00 179.25 179.85 1r3w h PHE 353 N 0.70 0.00 -0.07 0.00 3.57 -0.65 -1.40 116.94 119.10 1r3w h PHE 353 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1r3w h PHE 353 Cb 0.11 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1r3w h PHE 353 CO 0.01 0.25 0.04 0.28 -2.23 0.00 0.00 178.31 176.66 1r3w h VAL 354 N -0.25 1.02 -0.87 1.41 2.07 -1.02 -1.79 116.25 116.83 1r3w h VAL 354 Ca 0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1r3w h VAL 354 Cb 0.25 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1r3w h VAL 354 CO 0.00 0.02 0.46 0.44 0.02 0.00 0.00 177.57 178.51 1r3w h ASP 355 N 0.08 1.09 -0.23 0.57 3.32 -1.17 -2.58 116.42 117.51 1r3w h ASP 355 Ca 0.02 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1r3w h ASP 355 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1r3w h ASP 355 CO -0.01 0.89 -0.26 0.00 -1.72 0.00 0.00 179.24 178.14 1r3w h ALA 356 N 1.29 0.88 -0.38 3.45 0.00 -0.89 0.16 119.26 123.77 1r3w h ALA 356 Ca 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1r3w h ALA 356 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1r3w h ALA 356 CO -0.05 0.63 0.20 0.28 0.00 0.00 0.00 179.25 180.31 1r3w h VAL 357 N 0.62 1.15 0.12 0.00 2.07 -1.07 -0.03 116.25 119.11 1r3w h VAL 357 Ca 0.08 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1r3w h VAL 357 Cb 0.77 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1r3w h VAL 357 CO 0.06 0.16 -0.06 0.45 0.02 0.00 0.00 177.57 178.21 1r3w h HIS 358 N 0.48 -0.15 0.48 1.57 -0.00 -1.18 -1.01 115.15 115.34 1r3w h HIS 358 Ca 0.13 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 1r3w h HIS 358 Cb 0.08 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1r3w h HIS 358 CO -0.02 0.06 -0.28 -0.22 -0.00 0.00 0.00 177.93 177.47 1r3w h LYS 359 N -0.34 -0.69 -0.01 2.45 3.64 -0.61 -2.73 116.57 118.28 1r3w h LYS 359 Ca -0.02 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1r3w h LYS 359 Cb 0.27 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1r3w h LYS 359 CO 0.03 -0.46 -0.51 0.45 -2.27 0.00 0.00 179.45 176.69 1r3w h HIS 360 N -0.72 0.03 -0.02 1.91 3.86 -1.04 -2.64 115.15 116.53 1r3w h HIS 360 Ca -0.06 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 1r3w h HIS 360 Cb 0.58 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1r3w h HIS 360 CO -0.09 0.52 -0.58 0.66 0.86 0.00 0.00 177.93 179.31 1r3w h SER 361 N 0.02 0.06 -0.28 2.45 4.64 -1.16 -0.95 113.55 118.33 1r3w h SER 361 Ca -0.00 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1r3w h SER 361 Cb 0.90 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1r3w h SER 361 CO 0.07 0.62 -0.40 0.03 -0.87 0.00 0.00 176.83 176.28 1r3w h ARG 362 N 0.04 0.76 0.00 4.77 3.08 -1.32 -3.05 114.38 118.66 1r3w h ARG 362 Ca -0.01 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1r3w h ARG 362 Cb 1.03 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1r3w h ARG 362 CO 0.08 1.07 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.85 1r3w h LEU 363 N 0.51 0.00 -0.94 3.04 3.38 -1.30 -2.42 115.31 117.57 1r3w h LEU 363 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1r3w h LEU 363 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1r3w h LEU 363 CO 0.09 0.13 0.00 0.25 0.09 0.00 0.00 178.44 179.01 1r3w h LEU 364 N 0.00 0.00 0.01 1.67 5.85 -1.06 -3.30 115.31 118.48 1r3w h LEU 364 Ca -0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1r3w h LEU 364 Cb 0.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1r3w h LEU 364 CO 0.02 0.00 -2.31 0.54 -0.34 0.00 0.00 178.44 176.34 1r3w n ARG 365 N -2.99 0.68 0.00 1.25 1.74 -0.93 -4.97 116.66 111.43 1r3w n ARG 365 Ca 0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1r3w n ARG 365 Cb 0.37 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1r3w n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05