#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 n ALA 7 N 0.00 2.23 -0.03 -1.18 0.00 -1.26 -4.11 120.51 116.16 2wh3 n ALA 7 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 2wh3 n ALA 7 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2wh3 n ALA 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wh3 n GLN 8 N -2.73 1.45 0.19 0.00 1.13 -1.26 -4.64 117.38 111.51 2wh3 n GLN 8 Ca -0.07 0.02 0.14 0.00 -1.94 0.00 0.00 57.00 55.16 2wh3 n GLN 8 Cb 0.72 -1.15 0.62 0.00 0.11 0.00 0.00 30.24 30.53 2wh3 n GLN 8 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2wh3 h ARG 9 N 0.00 0.00 -1.00 -1.09 2.43 -2.04 -3.29 114.38 109.39 2wh3 h ARG 9 Ca -0.16 0.00 0.29 0.00 -0.81 0.00 0.00 59.98 59.30 2wh3 h ARG 9 Cb 1.30 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.67 2wh3 h ARG 9 CO -0.01 0.00 0.10 1.37 -1.51 0.00 0.00 179.97 179.92 2wh3 h LEU 10 N 0.00 -0.37 -0.80 3.80 8.10 -1.83 -0.92 115.31 123.29 2wh3 h LEU 10 Ca 0.00 0.28 0.29 0.00 0.11 0.00 0.00 57.88 58.56 2wh3 h LEU 10 Cb 0.30 0.46 -0.10 0.00 -0.44 0.00 0.00 40.66 40.88 2wh3 h LEU 10 CO 0.00 -0.37 0.49 -0.62 -4.11 0.00 0.00 178.44 173.83 2wh3 n GLU 11 N -5.46 -0.03 0.00 0.17 -0.58 -1.24 -4.48 120.64 109.02 2wh3 n GLU 11 Ca 0.25 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.81 2wh3 n GLU 11 Cb 0.84 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2wh3 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh3 n GLY 12 N -1.28 -1.42 0.00 0.62 0.00 -0.35 -4.21 105.19 98.55 2wh3 n GLY 12 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2wh3 n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh3 n LEU 13 N 0.00 0.00 0.00 0.99 7.94 -1.26 -3.90 117.00 120.76 2wh3 n LEU 13 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wh3 n LEU 13 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wh3 n LEU 13 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.82 2wh3 n ARG 14 N 0.00 0.00 0.00 1.96 1.74 -1.26 -5.03 116.66 114.07 2wh3 n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wh3 n ARG 14 Cb 0.00 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 2wh3 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh3 n GLY 15 N 0.57 0.01 0.56 -0.13 0.00 -1.25 -4.96 105.19 99.98 2wh3 n GLY 15 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.38 2wh3 n GLY 15 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wh3 n TYR 16 N 0.00 0.00 -0.11 1.61 9.36 -1.26 -0.51 117.16 126.25 2wh3 n TYR 16 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 2wh3 n TYR 16 Cb 0.00 -0.33 -0.06 0.00 -0.63 0.00 0.00 39.34 38.32 2wh3 n TYR 16 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wh3 n LEU 17 N -3.37 1.92 0.00 2.98 4.77 -1.26 -4.42 117.00 117.62 2wh3 n LEU 17 Ca 0.30 0.33 0.04 0.00 -0.03 0.00 0.00 56.01 56.65 2wh3 n LEU 17 Cb 1.60 -0.76 0.23 0.00 -2.33 0.00 0.00 43.42 42.15 2wh3 n LEU 17 CO 0.30 0.10 0.63 -0.67 -1.33 0.00 0.00 177.39 176.43 2wh3 n ASP 18 N -4.34 0.00 -0.12 -1.43 -0.08 -0.57 -3.31 116.55 106.71 2wh3 n ASP 18 Ca -0.32 -1.70 -0.23 0.00 -1.51 0.00 0.00 54.79 51.03 2wh3 n ASP 18 Cb 0.68 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.02 2wh3 n ASP 18 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2wh3 n ILE 19 N -0.62 1.54 0.86 5.18 2.08 0.34 -3.35 119.36 125.38 2wh3 n ILE 19 Ca 0.06 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.88 2wh3 n ILE 19 Cb 0.03 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.27 2wh3 n ILE 19 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2wh3 n PRO 20 N -3.69 0.86 0.00 0.38 -0.04 -1.21 -1.04 135.00 130.26 2wh3 n PRO 20 Ca -0.46 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 2wh3 n PRO 20 Cb 0.94 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 2wh3 n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wh3 n GLN 21 N 0.43 0.00 0.00 0.54 1.13 -1.26 -4.68 117.38 113.53 2wh3 n GLN 21 Ca 0.00 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.21 2wh3 n GLN 21 Cb 0.37 -0.59 0.70 0.00 0.11 0.00 0.00 30.24 30.83 2wh3 n GLN 21 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2wh3 n LYS 22 N -2.35 0.99 0.08 -1.09 3.00 -1.01 -3.89 118.16 113.88 2wh3 n LYS 22 Ca 0.00 -0.32 -0.13 0.00 -0.00 0.00 0.00 58.31 57.86 2wh3 n LYS 22 Cb 0.28 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.74 2wh3 n LYS 22 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2wh3 h GLU 23 N 0.77 -0.12 -0.01 1.64 4.11 -1.36 -3.18 114.58 116.44 2wh3 h GLU 23 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2wh3 h GLU 23 Cb 0.28 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wh3 h GLU 23 CO 0.00 -0.00 -0.44 0.25 0.07 0.00 0.00 179.01 178.89 2wh3 n THR 24 N -5.10 0.00 0.16 -1.06 -2.24 -1.25 -3.32 114.28 101.46 2wh3 n THR 24 Ca -0.08 -0.10 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 2wh3 n THR 24 Cb 0.11 0.57 0.38 0.00 -2.10 0.00 0.00 70.33 69.29 2wh3 n THR 24 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wh3 h ARG 25 N 0.97 0.12 0.00 -0.78 3.08 -1.66 1.28 114.38 117.39 2wh3 h ARG 25 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2wh3 h ARG 25 Cb 0.55 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2wh3 h ARG 25 CO 0.00 0.37 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.11 2wh3 h LEU 26 N 0.11 0.00 -2.04 3.04 3.38 -1.65 -3.29 115.31 114.87 2wh3 h LEU 26 Ca 0.02 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.41 2wh3 h LEU 26 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2wh3 h LEU 26 CO 0.04 0.86 0.13 0.11 0.09 0.00 0.00 178.44 179.66 2wh3 h LYS 27 N -1.00 0.00 -0.88 1.13 1.57 -1.50 0.77 116.57 116.66 2wh3 h LYS 27 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wh3 h LYS 27 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2wh3 h LYS 27 CO -0.01 0.00 0.56 1.49 -0.57 0.00 0.00 179.45 180.91 2wh3 h GLU 28 N 0.00 1.18 -0.24 3.15 4.22 0.16 0.16 114.58 123.21 2wh3 h GLU 28 Ca 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2wh3 h GLU 28 Cb 0.33 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wh3 h GLU 28 CO -0.00 0.81 0.00 1.28 -2.18 0.00 0.00 179.01 178.92 2wh3 n LEU 29 N -4.38 0.24 -0.02 1.64 4.77 0.26 -4.02 117.00 115.50 2wh3 n LEU 29 Ca 0.10 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2wh3 n LEU 29 Cb 0.04 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2wh3 n LEU 29 CO 0.37 0.06 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.76 2wh3 n GLU 30 N -0.29 0.10 -0.93 3.23 -0.58 0.04 -4.91 120.64 117.31 2wh3 n GLU 30 Ca 0.00 0.13 -0.35 0.00 -0.42 0.00 0.00 57.16 56.52 2wh3 n GLU 30 Cb 0.06 -0.77 0.07 0.00 -0.57 0.00 0.00 31.44 30.23 2wh3 n GLU 30 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wh3 n ARG 31 N -2.82 -0.14 -3.27 3.49 3.00 -1.25 -4.17 116.66 111.50 2wh3 n ARG 31 Ca -0.02 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.85 57.66 2wh3 n ARG 31 Cb 0.08 -1.27 0.01 0.00 0.00 0.00 0.00 32.46 31.28 2wh3 n ARG 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wh3 n ARG 32 N 1.12 -0.94 -1.30 5.56 1.74 -1.26 -4.62 116.66 116.95 2wh3 n ARG 32 Ca 0.01 1.07 -0.51 0.00 -0.77 0.00 0.00 57.85 57.64 2wh3 n ARG 32 Cb 0.57 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 2wh3 n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wh3 n LEU 33 N 0.78 0.89 -1.61 0.55 4.77 -1.26 -4.75 117.00 116.38 2wh3 n LEU 33 Ca -0.03 0.88 -0.11 0.00 -0.03 0.00 0.00 56.01 56.72 2wh3 n LEU 33 Cb 0.54 -0.67 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2wh3 n LEU 33 CO 0.20 -0.63 0.93 -1.84 -1.33 0.00 0.00 177.39 174.72 2wh3 n GLU 34 N 3.20 1.57 -3.10 3.23 0.28 -1.26 -4.76 120.64 119.79 2wh3 n GLU 34 Ca 0.25 -1.27 -0.07 0.00 -0.16 0.00 0.00 57.16 55.91 2wh3 n GLU 34 Cb -0.04 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.36 2wh3 n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2wh3 n ASP 35 N 0.04 -7.05 -1.02 -1.84 8.00 -1.26 -4.71 116.55 108.70 2wh3 n ASP 35 Ca 0.25 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2wh3 n ASP 35 Cb 0.85 -5.12 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 2wh3 n ASP 35 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2wh3 n PRO 36 N -2.48 0.00 -0.06 -0.24 -0.02 -1.26 -4.00 135.00 126.93 2wh3 n PRO 36 Ca -0.03 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.37 2wh3 n PRO 36 Cb 0.56 -1.31 -0.01 0.00 -0.02 0.00 0.00 33.50 32.72 2wh3 n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wh3 h SER 37 N 1.75 -0.77 -0.32 2.55 0.87 -2.01 -2.81 113.55 112.81 2wh3 h SER 37 Ca 0.00 0.14 -0.72 0.00 -1.23 0.00 0.00 61.79 59.99 2wh3 h SER 37 Cb 0.00 0.37 -0.06 0.00 -0.44 0.00 0.00 62.40 62.27 2wh3 h SER 37 CO 0.00 -0.27 2.96 0.18 -0.53 0.00 0.00 176.83 179.17 2wh3 n LEU 38 N -5.38 7.06 -4.54 2.23 4.32 -1.26 -4.96 117.00 114.47 2wh3 n LEU 38 Ca -0.00 -4.29 -0.60 0.00 -0.02 0.00 0.00 56.01 51.10 2wh3 n LEU 38 Cb 0.29 -1.60 -0.08 0.00 -1.62 0.00 0.00 43.42 40.41 2wh3 n LEU 38 CO 0.14 1.29 0.67 -2.67 -1.22 0.00 0.00 177.39 175.60 2wh3 n TRP 39 N 5.25 0.85 0.00 -1.77 2.14 -1.06 -4.75 117.44 118.09 2wh3 n TRP 39 Ca 0.52 1.05 0.00 0.00 2.07 0.00 0.00 57.50 61.15 2wh3 n TRP 39 Cb 0.36 -2.12 0.00 0.00 -0.81 0.00 0.00 31.31 28.74 2wh3 n TRP 39 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 2wh3 n ASN 40 N 1.93 0.00 -0.32 -0.67 3.02 -1.26 -4.96 115.26 113.00 2wh3 n ASN 40 Ca 0.22 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.99 2wh3 n ASN 40 Cb 0.06 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.67 2wh3 n ASN 40 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2wh3 h ASP 41 N 0.00 0.18 -1.18 6.41 1.82 -1.96 0.11 116.42 121.80 2wh3 h ASP 41 Ca 0.00 0.23 0.34 0.00 -0.39 0.00 0.00 57.03 57.21 2wh3 h ASP 41 Cb 0.00 0.26 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 2wh3 h ASP 41 CO 0.00 -0.26 0.94 1.55 -1.61 0.00 0.00 179.24 179.86 2wh3 h PRO 42 N 0.15 0.00 -0.09 0.28 0.13 -1.95 0.13 132.00 130.65 2wh3 h PRO 42 Ca 0.71 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.72 2wh3 h PRO 42 Cb 1.64 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.78 2wh3 h PRO 42 CO -0.72 0.00 -0.40 0.93 -0.23 0.00 0.00 178.00 177.59 2wh3 h GLU 43 N 0.00 0.42 -0.95 0.86 4.39 -1.17 -2.80 114.58 115.33 2wh3 h GLU 43 Ca 0.56 -0.34 -0.26 0.00 0.34 0.00 0.00 59.36 59.66 2wh3 h GLU 43 Cb 2.44 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 31.00 2wh3 h GLU 43 CO -0.01 0.97 0.33 0.00 -1.16 0.00 0.00 179.01 179.15 2wh3 n ALA 44 N -2.52 4.24 -1.00 3.43 0.00 0.29 -4.73 120.51 120.21 2wh3 n ALA 44 Ca -0.08 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.66 2wh3 n ALA 44 Cb 0.54 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2wh3 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 n ALA 45 N -0.35 0.00 -0.21 0.00 0.00 -0.25 -3.64 120.51 116.05 2wh3 n ALA 45 Ca 0.34 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.06 2wh3 n ALA 45 Cb 1.16 0.00 0.47 0.00 0.00 0.00 0.00 19.45 21.09 2wh3 n ALA 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wh3 h ARG 46 N 0.00 0.00 -0.41 0.00 2.43 -1.87 0.30 114.38 114.82 2wh3 h ARG 46 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wh3 h ARG 46 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2wh3 h ARG 46 CO 0.00 0.00 0.26 -0.22 -1.51 0.00 0.00 179.97 178.50 2wh3 h LYS 47 N 0.00 0.55 -0.20 0.20 3.64 -1.85 -0.77 116.57 118.15 2wh3 h LYS 47 Ca 0.49 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 2wh3 h LYS 47 Cb 2.84 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 34.54 2wh3 h LYS 47 CO -0.01 0.39 -0.02 -0.39 -2.27 0.00 0.00 179.45 177.15 2wh3 h VAL 48 N 0.55 1.27 -0.18 2.00 -1.51 -0.46 -3.12 116.25 114.81 2wh3 h VAL 48 Ca 0.15 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2wh3 h VAL 48 Cb -0.03 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2wh3 h VAL 48 CO -0.03 0.29 0.00 -0.24 -1.23 0.00 0.00 177.57 176.35 2wh3 n SER 49 N -4.66 1.31 -0.05 4.19 2.88 -1.20 -3.25 113.62 112.83 2wh3 n SER 49 Ca -0.05 -1.78 0.15 0.00 -1.33 0.00 0.00 58.87 55.87 2wh3 n SER 49 Cb 0.25 -0.12 0.77 0.00 -0.75 0.00 0.00 64.21 64.36 2wh3 n SER 49 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2wh3 n GLN 50 N 0.13 0.74 -0.03 -1.46 0.00 -0.30 -2.79 117.38 113.67 2wh3 n GLN 50 Ca 0.13 -0.11 -0.16 0.00 -0.00 0.00 0.00 57.00 56.86 2wh3 n GLN 50 Cb 0.25 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.91 2wh3 n GLN 50 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2wh3 h GLU 51 N 0.26 0.62 0.15 3.69 4.81 -1.72 -2.41 114.58 119.97 2wh3 h GLU 51 Ca 0.00 -0.49 -0.29 0.00 -0.13 0.00 0.00 59.36 58.46 2wh3 h GLU 51 Cb 0.22 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2wh3 h GLU 51 CO 0.00 1.11 -1.28 0.00 -0.73 0.00 0.00 179.01 178.11 2wh3 h ALA 52 N 0.51 0.05 0.00 2.92 0.00 -1.80 0.70 119.26 121.65 2wh3 h ALA 52 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2wh3 h ALA 52 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wh3 h ALA 52 CO 0.12 0.88 0.02 0.00 0.00 0.00 0.00 179.25 180.27 2wh3 h ALA 53 N 0.48 1.02 -0.07 0.00 0.00 -1.54 1.01 119.26 120.16 2wh3 h ALA 53 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wh3 h ALA 53 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2wh3 h ALA 53 CO 0.22 -0.02 0.00 -2.13 0.00 0.00 0.00 179.25 177.32 2wh3 n ARG 54 N -2.92 2.70 0.02 0.00 0.63 -0.91 -4.18 116.66 111.99 2wh3 n ARG 54 Ca -0.03 -1.55 0.11 0.00 -0.92 0.00 0.00 57.85 55.46 2wh3 n ARG 54 Cb 0.09 -1.06 -0.07 0.00 0.45 0.00 0.00 32.46 31.87 2wh3 n ARG 54 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2wh3 n LEU 55 N -0.23 0.47 0.10 6.15 0.00 0.32 -2.94 117.00 120.87 2wh3 n LEU 55 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 56.01 56.00 2wh3 n LEU 55 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 43.42 43.60 2wh3 n LEU 55 CO 0.02 0.01 0.30 -0.09 0.00 0.00 0.00 177.39 177.63 2wh3 h ARG 56 N 0.00 0.00 -0.01 1.96 2.43 -0.98 -1.37 114.38 116.41 2wh3 h ARG 56 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wh3 h ARG 56 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2wh3 h ARG 56 CO 0.00 0.76 -0.03 0.54 -1.51 0.00 0.00 179.97 179.73 2wh3 n ARG 57 N -3.29 1.15 0.01 0.20 1.74 -1.21 0.83 116.66 116.09 2wh3 n ARG 57 Ca 0.01 -0.39 0.11 0.00 -0.77 0.00 0.00 57.85 56.81 2wh3 n ARG 57 Cb 0.84 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.65 2wh3 n ARG 57 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2wh3 n THR 58 N -0.59 0.08 -0.05 0.55 -1.04 -0.61 -1.68 114.28 110.94 2wh3 n THR 58 Ca 0.20 -0.45 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 2wh3 n THR 58 Cb 0.23 0.05 0.03 0.00 -1.82 0.00 0.00 70.33 68.83 2wh3 n THR 58 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wh3 n VAL 59 N -2.24 1.01 -0.06 12.58 0.31 -0.65 -3.58 118.33 125.71 2wh3 n VAL 59 Ca -0.03 -1.02 -0.10 0.00 -0.01 0.00 0.00 64.34 63.19 2wh3 n VAL 59 Cb 0.54 0.49 -0.05 0.00 -0.91 0.00 0.00 33.84 33.91 2wh3 n VAL 59 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wh3 n ASP 60 N -0.29 2.44 0.11 4.52 -0.08 0.24 -3.04 116.55 120.45 2wh3 n ASP 60 Ca 0.03 -0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.44 2wh3 n ASP 60 Cb 0.29 -0.24 0.43 0.00 2.34 0.00 0.00 41.12 43.94 2wh3 n ASP 60 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2wh3 n THR 61 N -3.06 0.63 0.09 5.18 5.66 -0.68 0.20 114.28 122.29 2wh3 n THR 61 Ca -0.22 -0.17 -0.23 0.00 -3.05 0.00 0.00 64.05 60.38 2wh3 n THR 61 Cb 0.71 -0.71 -0.15 0.00 -1.55 0.00 0.00 70.33 68.64 2wh3 n THR 61 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 2wh3 h PHE 62 N 0.00 0.75 0.00 1.09 3.57 -1.74 -0.15 116.94 120.46 2wh3 h PHE 62 Ca 0.00 -0.55 0.00 0.00 3.53 0.00 0.00 57.97 60.95 2wh3 h PHE 62 Cb 0.65 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2wh3 h PHE 62 CO 0.00 1.57 0.00 -0.09 -2.23 0.00 0.00 178.31 177.56 2wh3 h ARG 63 N -0.01 0.00 0.04 1.11 2.43 -1.30 1.20 114.38 117.85 2wh3 h ARG 63 Ca -0.28 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.62 2wh3 h ARG 63 Cb 2.01 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.54 2wh3 h ARG 63 CO 0.19 0.00 -1.41 1.03 -1.51 0.00 0.00 179.97 178.27 2wh3 h SER 64 N 0.00 0.14 -0.00 -3.80 0.87 0.23 -3.14 113.55 107.84 2wh3 h SER 64 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2wh3 h SER 64 Cb 0.74 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2wh3 h SER 64 CO 0.00 1.16 -0.51 0.18 -0.53 0.00 0.00 176.83 177.14 2wh3 n LEU 65 N -3.29 0.72 0.10 2.23 4.77 -0.08 -3.27 117.00 118.18 2wh3 n LEU 65 Ca -0.11 -0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 55.13 2wh3 n LEU 65 Cb 1.01 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.96 2wh3 n LEU 65 CO 0.47 0.17 -0.23 -0.08 -1.33 0.00 0.00 177.39 176.39 2wh3 h GLU 66 N 0.27 0.33 -0.00 3.23 4.57 0.13 -3.00 114.58 120.11 2wh3 h GLU 66 Ca 0.00 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2wh3 h GLU 66 Cb 0.31 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2wh3 h GLU 66 CO 0.00 1.24 -0.27 0.43 -1.18 0.00 0.00 179.01 179.22 2wh3 n SER 67 N -3.55 0.37 -0.11 1.04 7.64 -1.19 -2.75 113.62 115.09 2wh3 n SER 67 Ca -0.14 -0.10 0.15 0.00 1.01 0.00 0.00 58.87 59.79 2wh3 n SER 67 Cb 1.05 -0.04 0.83 0.00 -1.01 0.00 0.00 64.21 65.04 2wh3 n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2wh3 n ASP 68 N -1.37 0.34 0.00 6.43 4.64 -1.14 -2.38 116.55 123.08 2wh3 n ASP 68 Ca 0.08 -1.02 0.00 0.00 -1.38 0.00 0.00 54.79 52.47 2wh3 n ASP 68 Cb 0.33 -0.02 0.00 0.00 -1.04 0.00 0.00 41.12 40.39 2wh3 n ASP 68 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2wh3 n LEU 69 N -0.78 0.37 -0.95 -2.67 7.94 -1.11 -3.74 117.00 116.06 2wh3 n LEU 69 Ca 0.22 0.15 0.02 0.00 -1.11 0.00 0.00 56.01 55.29 2wh3 n LEU 69 Cb 0.18 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.26 2wh3 n LEU 69 CO 0.18 0.00 0.45 0.00 -1.11 0.00 0.00 177.39 176.92 2wh3 n GLN 70 N -0.21 2.26 0.09 1.96 6.02 -1.26 -3.69 117.38 122.55 2wh3 n GLN 70 Ca 0.00 -1.01 0.11 0.00 -0.01 0.00 0.00 57.00 56.09 2wh3 n GLN 70 Cb 0.00 -1.75 0.45 0.00 1.02 0.00 0.00 30.24 29.96 2wh3 n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wh3 n GLY 71 N 0.20 -1.26 0.07 1.08 0.00 -1.00 -1.39 105.19 102.89 2wh3 n GLY 71 Ca 0.09 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.20 2wh3 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh3 n LEU 72 N -2.04 2.25 -0.17 0.99 4.77 -1.24 -4.44 117.00 117.13 2wh3 n LEU 72 Ca 0.03 -2.64 0.15 0.00 -0.03 0.00 0.00 56.01 53.52 2wh3 n LEU 72 Cb 0.24 -0.26 0.71 0.00 -2.33 0.00 0.00 43.42 41.78 2wh3 n LEU 72 CO 0.20 0.63 0.96 -0.11 -1.33 0.00 0.00 177.39 177.73 2wh3 n LEU 73 N -1.02 0.56 -0.02 2.23 -0.00 -0.48 -2.30 117.00 115.97 2wh3 n LEU 73 Ca 0.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 56.01 55.97 2wh3 n LEU 73 Cb 0.49 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 2wh3 n LEU 73 CO 0.01 0.10 -0.60 -0.62 -0.00 0.00 0.00 177.39 176.27 2wh3 n GLU 74 N -0.69 1.44 -0.05 1.96 1.02 -1.26 -4.47 120.64 118.59 2wh3 n GLU 74 Ca 0.19 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.36 2wh3 n GLU 74 Cb 0.24 -1.07 0.07 0.00 -0.02 0.00 0.00 31.44 30.65 2wh3 n GLU 74 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wh3 n LEU 75 N -2.41 0.56 -0.00 -4.62 7.99 -1.23 0.56 117.00 117.85 2wh3 n LEU 75 Ca -0.06 -0.28 0.08 0.00 -0.01 0.00 0.00 56.01 55.74 2wh3 n LEU 75 Cb 0.58 -0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.72 2wh3 n LEU 75 CO 0.04 0.14 -0.12 0.80 -1.51 0.00 0.00 177.39 176.74 2wh3 n MET 76 N -0.20 1.40 0.06 3.23 1.56 -0.97 -4.42 117.12 117.77 2wh3 n MET 76 Ca 0.04 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 2wh3 n MET 76 Cb 0.09 -1.30 0.00 0.00 2.15 0.00 0.00 33.22 34.16 2wh3 n MET 76 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2wh3 n GLU 77 N -1.48 0.00 -3.33 2.12 1.02 -0.68 -4.92 120.64 113.36 2wh3 n GLU 77 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 2wh3 n GLU 77 Cb 0.28 -0.42 -0.02 0.00 -0.02 0.00 0.00 31.44 31.26 2wh3 n GLU 77 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2wh3 n GLU 78 N -3.45 3.49 -0.04 3.49 -0.00 0.19 -4.95 120.64 119.38 2wh3 n GLU 78 Ca 0.00 -4.51 -0.03 0.00 -0.00 0.00 0.00 57.16 52.62 2wh3 n GLU 78 Cb 0.04 -2.48 -0.02 0.00 -0.00 0.00 0.00 31.44 28.98 2wh3 n GLU 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2wh3 h LEU 79 N 5.92 -0.42 -9.25 -1.84 4.07 -1.77 -3.39 115.31 108.64 2wh3 h LEU 79 Ca 0.18 0.06 -0.56 0.00 0.08 0.00 0.00 57.88 57.64 2wh3 h LEU 79 Cb 0.76 0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.69 2wh3 h LEU 79 CO 1.05 -0.09 1.29 -2.65 -1.08 0.00 0.00 178.44 176.96 2wh3 n PRO 80 N -3.31 2.55 -3.94 1.13 -0.02 -1.26 -4.93 135.00 125.23 2wh3 n PRO 80 Ca -0.01 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 2wh3 n PRO 80 Cb 0.07 -3.01 -0.05 0.00 -0.02 0.00 0.00 33.50 30.49 2wh3 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh3 s ALA 81 N 5.38 -0.44 0.05 3.55 0.00 -1.26 -5.10 121.76 123.93 2wh3 s ALA 81 Ca 0.93 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2wh3 s ALA 81 Cb -0.45 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 2wh3 s ALA 81 CO 0.42 -0.85 -0.05 -1.91 0.00 0.00 0.00 175.76 173.37 2wh3 n GLU 82 N -0.37 0.07 0.16 0.00 0.00 -1.26 -4.27 120.64 114.98 2wh3 n GLU 82 Ca -0.04 0.03 0.10 0.00 0.00 0.00 0.00 57.16 57.26 2wh3 n GLU 82 Cb 0.62 -0.62 0.56 0.00 0.00 0.00 0.00 31.44 32.00 2wh3 n GLU 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2wh3 n GLU 83 N -3.57 0.13 0.02 5.31 -0.58 -1.26 0.70 120.64 121.40 2wh3 n GLU 83 Ca -0.02 0.63 0.11 0.00 -0.42 0.00 0.00 57.16 57.46 2wh3 n GLU 83 Cb 0.13 -1.98 -0.09 0.00 -0.57 0.00 0.00 31.44 28.93 2wh3 n GLU 83 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wh3 n ARG 84 N -2.23 0.46 -0.58 3.49 5.12 -1.26 -4.05 116.66 117.60 2wh3 n ARG 84 Ca -0.01 -0.07 0.03 0.00 -1.93 0.00 0.00 57.85 55.86 2wh3 n ARG 84 Cb 0.07 -1.58 0.23 0.00 -1.16 0.00 0.00 32.46 30.02 2wh3 n ARG 84 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wh3 n GLU 85 N -2.13 2.36 0.00 5.56 -0.58 0.22 -3.84 120.64 122.22 2wh3 n GLU 85 Ca -0.01 -2.97 0.00 0.00 -0.42 0.00 0.00 57.16 53.77 2wh3 n GLU 85 Cb 0.50 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2wh3 n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh3 n ALA 86 N -0.84 0.96 -1.04 0.62 0.00 0.06 -4.75 120.51 115.52 2wh3 n ALA 86 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wh3 n ALA 86 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 2wh3 n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh3 n LEU 87 N -0.02 0.00 -0.42 0.00 0.00 -1.26 -4.87 117.00 110.44 2wh3 n LEU 87 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 56.01 56.09 2wh3 n LEU 87 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.59 2wh3 n LEU 87 CO 0.00 0.02 0.26 1.17 0.00 0.00 0.00 177.39 178.84 2wh3 n LYS 88 N 0.00 1.36 0.09 1.96 4.81 -1.25 -4.13 118.16 121.00 2wh3 n LYS 88 Ca 0.00 -0.86 0.13 0.00 -0.87 0.00 0.00 58.31 56.70 2wh3 n LYS 88 Cb 0.45 -1.40 0.45 0.00 0.02 0.00 0.00 35.03 34.55 2wh3 n LYS 88 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wh3 n PRO 89 N -0.15 0.20 -0.03 1.64 -0.04 -1.26 -1.51 135.00 133.84 2wh3 n PRO 89 Ca 0.08 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 2wh3 n PRO 89 Cb 0.41 -1.76 0.36 0.00 -0.04 0.00 0.00 33.50 32.47 2wh3 n PRO 89 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh3 n GLU 90 N -2.12 1.92 -0.05 0.54 1.02 -1.26 -3.92 120.64 116.77 2wh3 n GLU 90 Ca 0.05 -1.35 -0.02 0.00 -0.02 0.00 0.00 57.16 55.82 2wh3 n GLU 90 Cb 0.36 -1.46 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 2wh3 n GLU 90 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wh3 n LEU 91 N 0.61 0.00 0.11 -4.62 7.94 -0.57 -3.79 117.00 116.67 2wh3 n LEU 91 Ca 0.17 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.05 2wh3 n LEU 91 Cb 0.43 0.25 0.18 0.00 0.53 0.00 0.00 43.42 44.81 2wh3 n LEU 91 CO 0.15 0.25 0.55 -0.33 -1.11 0.00 0.00 177.39 176.90 2wh3 h GLU 92 N 0.00 0.17 -0.61 1.96 4.39 -1.62 -2.99 114.58 115.87 2wh3 h GLU 92 Ca -0.28 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2wh3 h GLU 92 Cb 1.55 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2wh3 h GLU 92 CO 0.02 0.66 0.00 -0.85 -1.16 0.00 0.00 179.01 177.67 2wh3 n GLU 93 N -3.92 2.54 0.04 2.33 0.28 -1.26 -3.94 120.64 116.71 2wh3 n GLU 93 Ca -0.02 -2.37 0.09 0.00 -0.16 0.00 0.00 57.16 54.70 2wh3 n GLU 93 Cb 0.56 -1.52 -0.08 0.00 1.43 0.00 0.00 31.44 31.83 2wh3 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wh3 n ALA 94 N 1.45 2.51 0.09 -1.84 0.00 -1.13 -1.90 120.51 119.69 2wh3 n ALA 94 Ca 0.22 -0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.32 2wh3 n ALA 94 Cb 0.57 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 2wh3 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 h ALA 95 N 1.88 0.53 0.13 0.00 0.00 -1.69 -2.10 119.26 118.00 2wh3 h ALA 95 Ca -0.05 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 2wh3 h ALA 95 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wh3 h ALA 95 CO 0.01 0.18 -1.30 0.87 0.00 0.00 0.00 179.25 179.01 2wh3 h LYS 96 N 0.00 0.28 0.14 0.00 1.57 -1.68 -3.17 116.57 113.70 2wh3 h LYS 96 Ca -0.03 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2wh3 h LYS 96 Cb 1.12 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2wh3 h LYS 96 CO 0.01 1.23 -0.07 0.87 -0.57 0.00 0.00 179.45 180.92 2wh3 h LYS 97 N -0.28 -0.18 -0.48 3.15 1.57 -1.50 0.16 116.57 119.00 2wh3 h LYS 97 Ca -0.27 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.66 2wh3 h LYS 97 Cb 1.77 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 2wh3 h LYS 97 CO 0.09 0.27 0.58 1.25 -0.57 0.00 0.00 179.45 181.07 2wh3 h LEU 98 N -0.76 0.00 0.15 2.94 5.85 -1.56 0.79 115.31 122.72 2wh3 h LEU 98 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2wh3 h LEU 98 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2wh3 h LEU 98 CO 0.03 0.00 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.28 2wh3 h ASP 99 N 0.00 -0.17 0.00 1.25 -0.00 -1.44 -3.32 116.42 112.74 2wh3 h ASP 99 Ca 0.23 -0.37 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 2wh3 h ASP 99 Cb 1.39 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.76 2wh3 h ASP 99 CO -0.00 0.40 0.00 -0.62 -0.00 0.00 0.00 179.24 179.02 2wh3 n GLU 100 N -4.91 0.00 -0.36 0.28 1.02 0.27 -2.81 120.64 114.14 2wh3 n GLU 100 Ca -0.08 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 2wh3 n GLU 100 Cb 0.26 -1.22 0.11 0.00 -0.02 0.00 0.00 31.44 30.57 2wh3 n GLU 100 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wh3 n LEU 101 N -1.35 -0.44 0.27 -4.62 4.32 -0.77 0.13 117.00 114.53 2wh3 n LEU 101 Ca 0.00 1.69 0.18 0.00 -0.02 0.00 0.00 56.01 57.86 2wh3 n LEU 101 Cb 0.00 -0.47 0.80 0.00 -1.62 0.00 0.00 43.42 42.13 2wh3 n LEU 101 CO 0.00 -1.59 1.02 0.22 -1.22 0.00 0.00 177.39 175.82 2wh3 h TYR 102 N 0.00 0.00 0.00 -1.77 3.20 -1.67 -2.55 116.97 114.18 2wh3 h TYR 102 Ca 0.43 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.29 2wh3 h TYR 102 Cb 0.68 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2wh3 h TYR 102 CO -0.79 0.00 -0.45 0.72 -1.64 0.00 0.00 178.16 176.00 2wh3 n HIS 103 N -2.94 0.00 0.00 -3.82 8.25 0.35 -4.56 115.22 112.50 2wh3 n HIS 103 Ca -0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.10 2wh3 n HIS 103 Cb 0.22 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2wh3 n HIS 103 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2wh3 n GLN 104 N -1.07 2.32 -0.10 -0.41 1.13 0.24 -4.43 117.38 115.05 2wh3 n GLN 104 Ca 0.18 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.34 2wh3 n GLN 104 Cb 0.71 -0.95 0.34 0.00 0.11 0.00 0.00 30.24 30.44 2wh3 n GLN 104 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2wh3 n THR 105 N -1.65 0.26 -0.11 5.09 5.66 -1.17 -3.30 114.28 119.07 2wh3 n THR 105 Ca 0.00 -0.42 -0.13 0.00 -3.05 0.00 0.00 64.05 60.45 2wh3 n THR 105 Cb 0.26 0.49 -0.14 0.00 -1.55 0.00 0.00 70.33 69.39 2wh3 n THR 105 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2wh3 n LEU 106 N 0.54 1.28 -1.35 1.09 4.77 -1.26 -4.33 117.00 117.74 2wh3 n LEU 106 Ca 0.17 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2wh3 n LEU 106 Cb 0.38 -0.10 0.32 0.00 -2.33 0.00 0.00 43.42 41.69 2wh3 n LEU 106 CO 0.13 0.68 0.77 0.18 -1.33 0.00 0.00 177.39 177.83 2wh3 n LEU 107 N -2.95 3.97 -4.51 2.23 4.77 -1.25 -4.83 117.00 114.43 2wh3 n LEU 107 Ca -0.38 -2.01 -0.43 0.00 -0.03 0.00 0.00 56.01 53.17 2wh3 n LEU 107 Cb 1.07 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2wh3 n LEU 107 CO 0.35 0.99 1.47 0.21 -1.33 0.00 0.00 177.39 179.07 2wh3 s ASN 108 N -1.00 6.80 0.17 -1.43 2.47 -1.21 -4.80 114.94 115.93 2wh3 s ASN 108 Ca 0.49 -2.33 -0.24 0.00 0.42 0.00 0.00 52.86 51.20 2wh3 s ASN 108 Cb 0.26 -2.48 0.07 0.00 -1.45 0.00 0.00 41.25 37.65 2wh3 s ASN 108 CO 0.33 -1.08 1.00 0.72 -3.72 0.00 0.00 177.10 174.35 2wh3 s PHE 109 N 3.19 -0.05 0.00 0.43 -0.71 -1.26 -5.02 117.98 114.56 2wh3 s PHE 109 Ca 0.44 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 2wh3 s PHE 109 Cb -0.01 0.66 0.00 0.00 -1.21 0.00 0.00 43.02 42.46 2wh3 s PHE 109 CO -0.02 -0.86 0.00 -2.30 -1.34 0.00 0.00 175.22 170.70 2wh3 n PRO 110 N -0.55 0.00 -2.18 1.99 -0.02 -1.26 -4.07 135.00 128.91 2wh3 n PRO 110 Ca -0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 2wh3 n PRO 110 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.06 2wh3 n PRO 110 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wh3 s HIS 111 N 0.00 2.04 0.00 6.00 3.76 -1.26 -4.79 115.29 121.03 2wh3 s HIS 111 Ca 0.00 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2wh3 s HIS 111 Cb 0.00 -4.22 0.00 0.00 1.11 0.00 0.00 32.58 29.47 2wh3 s HIS 111 CO 0.00 -2.39 0.00 0.00 -0.85 0.00 0.00 174.74 171.50 2wh3 n ALA 112 N 10.16 1.27 0.29 -1.40 0.00 -1.26 -4.20 120.51 125.38 2wh3 n ALA 112 Ca 0.19 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2wh3 n ALA 112 Cb 0.48 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.47 2wh3 n ALA 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wh3 h GLU 113 N 0.00 0.00 -6.82 0.00 9.09 -1.87 -2.98 114.58 112.01 2wh3 h GLU 113 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.96 2wh3 h GLU 113 Cb 0.00 0.00 0.23 0.00 -1.65 0.00 0.00 28.75 27.33 2wh3 h GLU 113 CO 0.00 0.00 -0.73 1.63 0.05 0.00 0.00 179.01 179.96 2wh3 n LYS 114 N -2.59 -1.95 -3.40 1.06 4.01 -1.26 -2.45 118.16 111.58 2wh3 n LYS 114 Ca -0.01 -0.55 -0.38 0.00 -0.51 0.00 0.00 58.31 56.86 2wh3 n LYS 114 Cb 0.49 -1.85 -0.06 0.00 -0.51 0.00 0.00 35.03 33.10 2wh3 n LYS 114 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2wh3 s ASN 115 N -2.02 6.78 0.34 4.39 0.02 -1.26 -2.16 114.94 121.02 2wh3 s ASN 115 Ca 0.60 0.92 -0.12 0.00 -1.02 0.00 0.00 52.86 53.24 2wh3 s ASN 115 Cb -0.16 -2.28 -0.08 0.00 0.02 0.00 0.00 41.25 38.75 2wh3 s ASN 115 CO 0.66 0.18 0.72 0.00 0.02 0.00 0.00 177.10 178.68 2wh3 s ALA 116 N -0.32 3.37 -0.19 0.60 0.00 -1.23 -1.42 121.76 122.57 2wh3 s ALA 116 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2wh3 s ALA 116 Cb -0.16 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.32 2wh3 s ALA 116 CO 0.12 0.21 -0.07 0.42 0.00 0.00 0.00 175.76 176.45 2wh3 s ILE 117 N -2.12 1.35 -0.20 0.00 1.01 0.30 -0.34 121.20 121.20 2wh3 s ILE 117 Ca 0.52 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 2wh3 s ILE 117 Cb -0.10 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2wh3 s ILE 117 CO 0.24 0.12 0.28 -0.76 0.00 0.00 0.00 174.94 174.82 2wh3 s LEU 118 N 1.52 4.17 -0.21 2.97 1.43 0.62 -2.69 118.68 126.50 2wh3 s LEU 118 Ca -0.01 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2wh3 s LEU 118 Cb -0.16 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.75 2wh3 s LEU 118 CO -0.08 0.03 -0.14 -0.89 0.23 0.00 0.00 176.35 175.51 2wh3 s THR 119 N 0.93 2.47 -0.27 5.49 2.01 -0.94 0.24 115.64 125.57 2wh3 s THR 119 Ca 0.14 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2wh3 s THR 119 Cb -0.14 -2.13 0.07 0.00 0.01 0.00 0.00 72.50 70.31 2wh3 s THR 119 CO 0.05 0.41 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 2wh3 s ILE 120 N 1.32 1.68 0.18 1.82 1.01 0.14 -1.49 121.20 125.86 2wh3 s ILE 120 Ca 0.03 -1.50 0.11 0.00 0.00 0.00 0.00 60.65 59.29 2wh3 s ILE 120 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2wh3 s ILE 120 CO -0.09 -0.25 -0.24 -1.10 0.00 0.00 0.00 174.94 173.26 2wh3 s GLN 121 N 1.29 1.49 0.82 2.79 -0.21 -0.84 -2.74 119.66 122.26 2wh3 s GLN 121 Ca -0.01 -1.49 -0.09 0.00 0.02 0.00 0.00 55.36 53.78 2wh3 s GLN 121 Cb -0.19 -1.84 0.14 0.00 1.00 0.00 0.00 33.01 32.12 2wh3 s GLN 121 CO -0.08 0.41 1.14 -1.25 -2.12 0.00 0.00 175.29 173.38 2wh3 s PRO 122 N -2.56 1.42 0.00 2.91 0.04 -1.26 -0.37 135.00 135.18 2wh3 s PRO 122 Ca 0.19 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.70 2wh3 s PRO 122 Cb -0.08 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2wh3 s PRO 122 CO 0.09 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.75 2wh3 n GLY 123 N -3.26 3.04 3.68 0.56 0.00 -1.10 -4.72 105.19 103.39 2wh3 n GLY 123 Ca 0.13 0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 2wh3 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 n ALA 124 N -3.00 0.70 0.00 4.61 0.00 -0.88 -3.06 120.51 118.88 2wh3 n ALA 124 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2wh3 n ALA 124 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2wh3 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh3 n GLY 125 N 4.09 1.95 0.00 0.00 0.00 -1.26 -1.96 105.19 108.01 2wh3 n GLY 125 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2wh3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLY 126 N -0.15 0.00 0.28 -0.02 0.00 -1.17 -1.27 105.19 102.86 2wh3 n GLY 126 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2wh3 n GLY 126 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wh3 h THR 127 N 0.00 0.49 -0.39 2.61 2.02 -1.96 -2.04 112.91 113.65 2wh3 h THR 127 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2wh3 h THR 127 Cb 0.00 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 66.82 2wh3 h THR 127 CO 0.00 0.00 -0.16 -0.08 0.37 0.00 0.00 175.52 175.65 2wh3 h GLU 128 N -0.58 -0.08 -0.84 6.66 4.81 -1.78 0.13 114.58 122.90 2wh3 h GLU 128 Ca -0.03 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 2wh3 h GLU 128 Cb 0.49 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 2wh3 h GLU 128 CO 0.02 -0.05 0.44 0.00 -0.73 0.00 0.00 179.01 178.69 2wh3 h ALA 129 N 1.24 1.25 -0.62 2.92 0.00 -1.12 0.54 119.26 123.47 2wh3 h ALA 129 Ca 0.19 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2wh3 h ALA 129 Cb 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2wh3 h ALA 129 CO -0.44 -0.05 0.42 0.00 0.00 0.00 0.00 179.25 179.18 2wh3 h ASP 131 N 0.31 0.65 -0.56 0.00 3.58 0.63 -1.06 116.42 119.97 2wh3 h ASP 131 Ca 0.29 -0.74 0.11 0.00 0.42 0.00 0.00 57.03 57.12 2wh3 h ASP 131 Cb 0.73 -0.20 -0.11 0.00 1.72 0.00 0.00 39.33 41.47 2wh3 h ASP 131 CO -0.07 1.30 -0.22 -0.25 -2.88 0.00 0.00 179.24 177.12 2wh3 h TRP 132 N 0.07 -0.55 -0.16 0.28 -0.00 0.11 -1.03 115.95 114.67 2wh3 h TRP 132 Ca -0.08 0.06 0.03 0.00 -0.00 0.00 0.00 58.89 58.89 2wh3 h TRP 132 Cb 1.39 0.33 -0.06 0.00 -0.00 0.00 0.00 29.16 30.82 2wh3 h TRP 132 CO 0.13 -0.31 -0.45 0.00 -0.00 0.00 0.00 178.44 177.81 2wh3 h ALA 133 N 1.32 -0.79 -0.96 2.65 0.00 -0.60 0.19 119.26 121.07 2wh3 h ALA 133 Ca 0.26 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.37 2wh3 h ALA 133 Cb 0.49 0.96 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 2wh3 h ALA 133 CO -0.61 -0.97 0.49 1.49 0.00 0.00 0.00 179.25 179.65 2wh3 h GLU 134 N -0.45 0.44 0.67 0.00 4.81 -1.07 0.18 114.58 119.16 2wh3 h GLU 134 Ca 0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2wh3 h GLU 134 Cb 0.55 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.83 2wh3 h GLU 134 CO -0.39 0.29 -0.32 0.52 -0.73 0.00 0.00 179.01 178.38 2wh3 h MET 135 N 0.45 -0.86 -1.07 1.92 2.86 0.11 -2.72 114.93 115.62 2wh3 h MET 135 Ca 0.62 0.06 0.34 0.00 -2.06 0.00 0.00 59.70 58.66 2wh3 h MET 135 Cb 1.23 0.20 -0.14 0.00 0.06 0.00 0.00 31.60 32.94 2wh3 h MET 135 CO -0.53 -0.58 0.64 -0.07 1.06 0.00 0.00 176.91 177.44 2wh3 h LEU 136 N -1.09 0.44 -0.65 1.22 3.38 0.60 0.31 115.31 119.52 2wh3 h LEU 136 Ca -0.09 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2wh3 h LEU 136 Cb 0.69 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2wh3 h LEU 136 CO 0.15 -0.14 0.40 0.25 0.09 0.00 0.00 178.44 179.19 2wh3 h LEU 137 N 0.27 0.65 -0.09 1.67 7.12 -0.47 -2.60 115.31 121.85 2wh3 h LEU 137 Ca 0.74 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.64 2wh3 h LEU 137 Cb 1.87 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.87 2wh3 h LEU 137 CO -0.54 0.45 -0.38 0.08 -0.13 0.00 0.00 178.44 177.92 2wh3 h ARG 138 N 0.78 0.41 -0.43 1.25 0.11 -0.15 -1.95 114.38 114.40 2wh3 h ARG 138 Ca 0.26 -0.33 0.13 0.00 0.10 0.00 0.00 59.98 60.14 2wh3 h ARG 138 Cb 0.03 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2wh3 h ARG 138 CO -0.11 0.96 0.53 1.98 0.10 0.00 0.00 179.97 183.43 2wh3 h MET 139 N -0.04 0.00 0.06 0.08 4.05 -1.00 0.41 114.93 118.50 2wh3 h MET 139 Ca -0.02 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.03 2wh3 h MET 139 Cb 1.02 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 2wh3 h MET 139 CO 0.08 0.00 -2.15 0.66 0.23 0.00 0.00 176.91 175.73 2wh3 n TYR 140 N -3.55 0.75 0.10 1.39 4.01 -1.00 -2.88 117.16 115.98 2wh3 n TYR 140 Ca 0.08 0.18 -0.13 0.00 -0.16 0.00 0.00 57.90 57.86 2wh3 n TYR 140 Cb 0.70 -1.10 -0.08 0.00 -0.31 0.00 0.00 39.34 38.55 2wh3 n TYR 140 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2wh3 h THR 141 N 0.04 0.89 0.24 -0.72 2.02 -0.21 0.87 112.91 116.04 2wh3 h THR 141 Ca -0.47 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.64 2wh3 h THR 141 Cb 2.01 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2wh3 h THR 141 CO 0.03 0.02 -0.29 0.03 0.37 0.00 0.00 175.52 175.68 2wh3 h ARG 142 N -0.21 -0.56 -0.28 6.66 2.47 -0.46 -0.87 114.38 121.13 2wh3 h ARG 142 Ca -0.02 0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.80 2wh3 h ARG 142 Cb 0.17 0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 28.53 2wh3 h ARG 142 CO 0.03 -0.37 -0.37 0.35 0.56 0.00 0.00 179.97 180.17 2wh3 h PHE 143 N -0.58 -1.06 0.00 3.04 3.57 -1.38 -1.47 116.94 119.06 2wh3 h PHE 143 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2wh3 h PHE 143 Cb 0.55 0.51 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2wh3 h PHE 143 CO -0.20 -0.42 0.00 0.00 -2.23 0.00 0.00 178.31 175.45 2wh3 n ALA 144 N -2.97 -0.05 -0.23 2.41 0.00 0.29 -2.75 120.51 117.21 2wh3 n ALA 144 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2wh3 n ALA 144 Cb 0.35 0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 2wh3 n ALA 144 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wh3 n GLU 145 N -1.39 -0.24 0.00 0.00 1.02 -0.36 0.37 120.64 120.05 2wh3 n GLU 145 Ca 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 2wh3 n GLU 145 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2wh3 n GLU 145 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2wh3 n ARG 146 N -4.22 0.48 -0.10 3.49 -4.01 -0.58 -0.29 116.66 111.44 2wh3 n ARG 146 Ca 0.01 0.00 0.03 0.00 -1.04 0.00 0.00 57.85 56.85 2wh3 n ARG 146 Cb 0.14 -1.25 0.05 0.00 -3.04 0.00 0.00 32.46 28.36 2wh3 n ARG 146 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 2wh3 n GLN 147 N 0.42 1.46 -2.86 2.89 -0.06 0.16 -5.00 117.38 114.38 2wh3 n GLN 147 Ca 0.00 -1.60 -0.11 0.00 -2.00 0.00 0.00 57.00 53.29 2wh3 n GLN 147 Cb 0.16 -1.00 0.06 0.00 -4.06 0.00 0.00 30.24 25.40 2wh3 n GLN 147 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wh3 n GLY 148 N -0.64 -0.15 3.29 1.69 0.00 0.61 -5.02 105.19 104.97 2wh3 n GLY 148 Ca 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2wh3 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wh3 s PHE 149 N -3.24 1.44 -0.34 1.61 0.40 -1.21 -4.91 117.98 111.73 2wh3 s PHE 149 Ca 0.06 -0.74 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 2wh3 s PHE 149 Cb -0.01 -0.74 0.02 0.00 0.51 0.00 0.00 43.02 42.81 2wh3 s PHE 149 CO 0.47 0.13 0.15 -0.65 0.70 0.00 0.00 175.22 176.03 2wh3 s GLN 150 N -3.74 2.86 -0.34 0.44 -1.52 -0.51 -4.37 119.66 112.48 2wh3 s GLN 150 Ca 0.20 -1.04 -0.13 0.00 -1.95 0.00 0.00 55.36 52.44 2wh3 s GLN 150 Cb 0.02 -3.58 -0.02 0.00 -0.22 0.00 0.00 33.01 29.22 2wh3 s GLN 150 CO 0.04 -0.62 0.27 0.08 -0.25 0.00 0.00 175.29 174.81 2wh3 s VAL 151 N 1.51 5.25 -0.07 1.09 1.01 -1.26 -0.97 120.40 126.96 2wh3 s VAL 151 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2wh3 s VAL 151 Cb -0.19 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2wh3 s VAL 151 CO 0.05 -0.03 -0.21 -0.70 0.00 0.00 0.00 175.10 174.22 2wh3 s GLU 152 N 1.81 2.65 -0.22 2.72 2.12 -0.05 -5.00 118.70 122.73 2wh3 s GLU 152 Ca 0.08 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.46 2wh3 s GLU 152 Cb -0.17 -2.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.89 2wh3 s GLU 152 CO 0.11 0.42 0.26 0.08 -0.54 0.00 0.00 175.26 175.59 2wh3 s VAL 153 N -0.23 5.29 -0.17 3.70 1.01 -1.26 0.11 120.40 128.85 2wh3 s VAL 153 Ca -0.01 0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 2wh3 s VAL 153 Cb -0.13 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2wh3 s VAL 153 CO 0.03 0.31 -0.02 0.58 0.00 0.00 0.00 175.10 176.00 2wh3 h VAL 154 N 5.03 0.36 -3.97 2.92 2.07 -1.69 -3.47 116.25 117.49 2wh3 h VAL 154 Ca -0.37 -1.46 -0.42 0.00 0.82 0.00 0.00 66.70 65.27 2wh3 h VAL 154 Cb 1.17 0.87 -0.22 0.00 -1.52 0.00 0.00 31.29 31.58 2wh3 h VAL 154 CO 0.68 0.12 -0.78 -1.81 0.02 0.00 0.00 177.57 175.80 2wh3 s ASP 155 N -6.16 1.67 -0.50 0.57 1.11 -0.93 -4.97 116.67 107.47 2wh3 s ASP 155 Ca -0.20 -0.57 0.06 0.00 0.18 0.00 0.00 52.55 52.02 2wh3 s ASP 155 Cb 0.03 -0.06 0.22 0.00 1.07 0.00 0.00 42.92 44.18 2wh3 s ASP 155 CO 0.36 -0.05 0.83 -0.11 1.18 0.00 0.00 175.17 177.38 2wh3 n LEU 156 N 1.45 -3.11 -4.57 1.23 7.94 -1.26 -0.55 117.00 118.13 2wh3 n LEU 156 Ca -0.20 -3.05 -0.42 0.00 -1.11 0.00 0.00 56.01 51.23 2wh3 n LEU 156 Cb 0.54 0.79 -0.06 0.00 0.53 0.00 0.00 43.42 45.22 2wh3 n LEU 156 CO 0.22 1.95 0.40 -0.89 -1.11 0.00 0.00 177.39 177.95 2wh3 s THR 157 N 0.77 4.88 0.62 1.96 2.01 0.92 -4.97 115.64 121.84 2wh3 s THR 157 Ca 0.31 0.63 -0.14 0.00 0.31 0.00 0.00 61.69 62.80 2wh3 s THR 157 Cb 0.12 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2wh3 s THR 157 CO -0.15 -0.30 1.06 -2.16 -0.69 0.00 0.00 174.62 172.37 2wh3 s PRO 158 N 2.72 3.21 0.82 4.92 0.04 -1.26 -0.44 135.00 145.01 2wh3 s PRO 158 Ca 0.25 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2wh3 s PRO 158 Cb -0.14 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.57 2wh3 s PRO 158 CO 0.15 -0.89 1.04 0.41 0.04 0.00 0.00 177.00 177.74 2wh3 n GLY 159 N -1.31 -1.67 0.00 0.56 0.00 -1.07 -3.90 105.19 97.81 2wh3 n GLY 159 Ca 0.08 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.44 2wh3 n GLY 159 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh3 h PRO 160 N 0.00 -0.00 -0.04 1.61 0.11 -1.97 -3.41 132.00 128.29 2wh3 h PRO 160 Ca -0.34 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.57 2wh3 h PRO 160 Cb 0.96 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.09 2wh3 h PRO 160 CO 0.24 -0.00 -0.75 0.93 -0.21 0.00 0.00 178.00 178.21 2wh3 h GLU 161 N -0.03 0.58 0.00 1.05 5.08 -1.98 -3.49 114.58 115.80 2wh3 h GLU 161 Ca -0.00 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2wh3 h GLU 161 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wh3 h GLU 161 CO 0.00 1.19 0.29 0.00 -1.00 0.00 0.00 179.01 179.49 2wh3 n ALA 162 N -2.60 -1.74 -0.85 3.43 0.00 -1.26 -5.14 120.51 112.35 2wh3 n ALA 162 Ca -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2wh3 n ALA 162 Cb 0.74 0.88 0.00 0.00 0.00 0.00 0.00 19.45 21.06 2wh3 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh3 n GLY 163 N -0.51 2.91 3.31 0.00 0.00 -1.26 -3.92 105.19 105.71 2wh3 n GLY 163 Ca -0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2wh3 n GLY 163 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wh3 s ILE 164 N 0.00 0.02 0.11 -0.61 -4.36 -0.42 -2.58 121.20 113.36 2wh3 s ILE 164 Ca 0.00 -0.18 0.02 0.00 -0.26 0.00 0.00 60.65 60.23 2wh3 s ILE 164 Cb 0.00 -0.64 -0.23 0.00 1.25 0.00 0.00 42.46 42.84 2wh3 s ILE 164 CO 0.00 -0.10 1.25 0.44 0.24 0.00 0.00 174.94 176.77 2wh3 h ASP 165 N 4.62 0.20 -4.72 4.36 3.32 -0.87 -3.41 116.42 119.93 2wh3 h ASP 165 Ca -0.28 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2wh3 h ASP 165 Cb 1.18 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.47 2wh3 h ASP 165 CO 0.32 1.13 0.32 -0.47 -1.72 0.00 0.00 179.24 178.82 2wh3 s TYR 166 N -2.79 -0.53 -0.08 4.55 6.14 0.27 -4.36 117.35 120.55 2wh3 s TYR 166 Ca -0.02 0.77 -0.28 0.00 0.64 0.00 0.00 57.07 58.18 2wh3 s TYR 166 Cb 0.09 0.46 0.07 0.00 0.42 0.00 0.00 41.96 42.99 2wh3 s TYR 166 CO 0.84 -0.57 0.65 0.00 0.64 0.00 0.00 175.55 177.12 2wh3 s ALA 167 N -1.78 -1.68 -0.13 3.97 0.00 -1.11 -0.06 121.76 120.97 2wh3 s ALA 167 Ca -0.05 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 2wh3 s ALA 167 Cb -0.00 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.96 2wh3 s ALA 167 CO 0.02 -0.35 0.40 -1.14 0.00 0.00 0.00 175.76 174.69 2wh3 s GLN 168 N -0.92 0.51 -0.06 0.00 0.74 0.29 -0.68 119.66 119.54 2wh3 s GLN 168 Ca -0.09 0.46 -0.10 0.00 0.05 0.00 0.00 55.36 55.68 2wh3 s GLN 168 Cb -0.01 0.24 0.02 0.00 1.10 0.00 0.00 33.01 34.36 2wh3 s GLN 168 CO 0.08 -0.08 0.25 0.96 -0.55 0.00 0.00 175.29 175.95 2wh3 s ILE 169 N -0.01 0.03 0.06 -2.34 -4.36 0.14 -1.77 121.20 112.95 2wh3 s ILE 169 Ca -0.02 -0.23 -0.21 0.00 -0.26 0.00 0.00 60.65 59.92 2wh3 s ILE 169 Cb -0.03 -0.43 -0.06 0.00 1.25 0.00 0.00 42.46 43.18 2wh3 s ILE 169 CO 0.01 -0.13 0.64 -0.22 0.24 0.00 0.00 174.94 175.48 2wh3 s LEU 170 N -0.47 4.49 -0.60 0.37 2.96 0.30 -0.28 118.68 125.45 2wh3 s LEU 170 Ca -0.06 1.31 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 2wh3 s LEU 170 Cb -0.04 -3.02 0.16 0.00 0.50 0.00 0.00 46.19 43.80 2wh3 s LEU 170 CO 0.01 0.17 0.40 -0.69 -1.32 0.00 0.00 176.35 174.92 2wh3 s VAL 171 N -0.63 2.28 0.26 1.68 1.01 0.54 -0.87 120.40 124.67 2wh3 s VAL 171 Ca 0.32 -3.65 -0.31 0.00 0.00 0.00 0.00 61.98 58.34 2wh3 s VAL 171 Cb -0.20 -2.53 -0.13 0.00 0.00 0.00 0.00 36.38 33.53 2wh3 s VAL 171 CO 0.20 -0.99 1.52 0.29 0.00 0.00 0.00 175.10 176.12 2wh3 n LYS 172 N 2.50 2.38 0.00 2.72 5.02 -0.15 -3.58 118.16 127.06 2wh3 n LYS 172 Ca 0.17 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2wh3 n LYS 172 Cb 0.36 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 2wh3 n LYS 172 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh3 n GLY 173 N 2.36 4.11 3.77 0.72 0.00 -1.26 -1.42 105.19 113.46 2wh3 n GLY 173 Ca 0.11 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 2wh3 n GLY 173 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wh3 s GLU 174 N -2.55 3.77 -0.82 1.61 -6.30 -1.26 -3.02 118.70 110.12 2wh3 s GLU 174 Ca 0.00 1.92 0.00 0.00 -2.50 0.00 0.00 54.97 54.39 2wh3 s GLU 174 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 34.13 31.63 2wh3 s GLU 174 CO 0.00 -0.59 0.00 0.09 0.02 0.00 0.00 175.26 174.78 2wh3 n ASN 175 N -0.34 -2.22 -0.04 -1.70 3.02 -1.02 -4.81 115.26 108.14 2wh3 n ASN 175 Ca 0.06 0.19 -0.08 0.00 -0.03 0.00 0.00 54.58 54.72 2wh3 n ASN 175 Cb 0.46 -2.20 -0.03 0.00 -0.61 0.00 0.00 39.78 37.40 2wh3 n ASN 175 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh3 h ALA 176 N 1.10 0.13 0.16 5.41 0.00 -1.45 0.41 119.26 125.03 2wh3 h ALA 176 Ca -0.16 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wh3 h ALA 176 Cb 0.53 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2wh3 h ALA 176 CO 0.23 -0.48 -0.43 -0.92 0.00 0.00 0.00 179.25 177.66 2wh3 h TYR 177 N -0.00 -1.23 -0.64 0.00 3.20 -1.27 -1.20 116.97 115.83 2wh3 h TYR 177 Ca 0.10 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.10 2wh3 h TYR 177 Cb 0.15 0.52 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 2wh3 h TYR 177 CO -0.22 -0.50 0.23 0.78 -1.64 0.00 0.00 178.16 176.81 2wh3 h GLY 178 N -0.66 0.90 1.79 1.82 0.00 -1.49 1.12 103.07 106.55 2wh3 h GLY 178 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2wh3 h GLY 178 CO -0.20 -0.04 0.10 1.41 0.00 0.00 0.00 176.54 177.81 2wh3 h LEU 179 N 0.40 0.00 0.00 3.11 3.38 0.43 -2.54 115.31 120.09 2wh3 h LEU 179 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2wh3 h LEU 179 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wh3 h LEU 179 CO -0.33 0.00 -1.18 0.18 0.09 0.00 0.00 178.44 177.19 2wh3 n LEU 180 N -2.82 0.00 -0.34 1.67 4.77 0.34 -4.76 117.00 115.85 2wh3 n LEU 180 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 2wh3 n LEU 180 Cb 0.16 0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.49 2wh3 n LEU 180 CO 0.16 0.01 0.75 0.77 -1.33 0.00 0.00 177.39 177.75 2wh3 h SER 181 N 0.00 -0.64 -0.92 -1.43 4.64 0.16 0.27 113.55 115.63 2wh3 h SER 181 Ca -0.01 0.29 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 2wh3 h SER 181 Cb 0.33 0.53 -0.06 0.00 -0.31 0.00 0.00 62.40 62.89 2wh3 h SER 181 CO 0.00 -0.34 0.58 1.55 -0.87 0.00 0.00 176.83 177.75 2wh3 h PRO 182 N 0.01 1.03 -0.33 4.77 0.13 -1.85 -2.17 132.00 133.58 2wh3 h PRO 182 Ca 0.55 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 65.71 2wh3 h PRO 182 Cb 1.03 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2wh3 h PRO 182 CO -0.95 0.68 0.57 0.93 -0.23 0.00 0.00 178.00 178.99 2wh3 h GLU 183 N 1.06 0.00 -6.22 0.86 4.39 -0.79 -3.43 114.58 110.45 2wh3 h GLU 183 Ca 0.40 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.49 2wh3 h GLU 183 Cb 0.16 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2wh3 h GLU 183 CO -0.17 0.00 1.20 0.00 -1.16 0.00 0.00 179.01 178.88 2wh3 n ALA 184 N -2.11 1.11 0.00 3.43 0.00 -0.82 -4.81 120.51 117.33 2wh3 n ALA 184 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wh3 n ALA 184 Cb 0.70 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2wh3 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh3 n GLY 185 N 4.82 -0.39 3.53 0.00 0.00 -0.33 -5.00 105.19 107.82 2wh3 n GLY 185 Ca 0.25 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2wh3 n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 186 N -2.96 4.85 -0.17 1.61 1.01 -1.26 -1.56 120.40 121.92 2wh3 s VAL 186 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2wh3 s VAL 186 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2wh3 s VAL 186 CO 0.00 0.30 0.06 -1.00 0.00 0.00 0.00 175.10 174.46 2wh3 s HIS 187 N 1.61 3.25 0.23 5.22 4.02 0.25 -1.17 115.29 128.71 2wh3 s HIS 187 Ca 0.07 0.08 0.06 0.00 1.02 0.00 0.00 55.06 56.28 2wh3 s HIS 187 Cb -0.15 -2.05 -0.03 0.00 -1.02 0.00 0.00 32.58 29.32 2wh3 s HIS 187 CO 0.07 0.19 0.28 0.50 1.02 0.00 0.00 174.74 176.80 2wh3 s ARG 188 N 0.23 3.22 -0.18 1.40 3.52 -0.05 -1.42 118.95 125.69 2wh3 s ARG 188 Ca 0.04 -0.86 -0.07 0.00 -0.13 0.00 0.00 55.73 54.70 2wh3 s ARG 188 Cb -0.12 -2.76 0.08 0.00 -1.56 0.00 0.00 34.95 30.58 2wh3 s ARG 188 CO 0.00 0.43 0.38 -1.17 -0.81 0.00 0.00 175.30 174.14 2wh3 s LEU 189 N -3.82 -0.40 0.03 -0.88 1.98 0.61 -0.94 118.68 115.26 2wh3 s LEU 189 Ca 0.33 0.88 0.05 0.00 -2.89 0.00 0.00 54.13 52.50 2wh3 s LEU 189 Cb -0.09 1.22 -0.03 0.00 0.66 0.00 0.00 46.19 47.95 2wh3 s LEU 189 CO 0.27 -0.22 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.73 2wh3 s VAL 190 N 2.20 3.47 0.00 1.68 1.01 -1.15 -0.18 120.40 127.43 2wh3 s VAL 190 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2wh3 s VAL 190 Cb -0.11 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2wh3 s VAL 190 CO -0.12 0.32 0.00 -2.11 0.00 0.00 0.00 175.10 173.19 2wh3 n ARG 191 N 1.35 0.00 -1.92 2.72 1.85 -1.04 -1.66 116.66 117.97 2wh3 n ARG 191 Ca -0.15 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.27 2wh3 n ARG 191 Cb 0.52 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.91 2wh3 n ARG 191 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2wh3 s PRO 192 N -2.02 3.31 0.03 2.89 0.02 -1.26 -1.56 135.00 136.41 2wh3 s PRO 192 Ca 0.00 1.58 -0.36 0.00 0.02 0.00 0.00 61.00 62.24 2wh3 s PRO 192 Cb 0.00 -4.23 -0.15 0.00 0.02 0.00 0.00 34.50 30.14 2wh3 s PRO 192 CO 0.00 -1.88 1.55 0.45 -0.33 0.00 0.00 177.00 176.79 2wh3 n SER 193 N 10.51 2.45 0.20 2.53 2.88 -0.50 -4.85 113.62 126.83 2wh3 n SER 193 Ca 0.24 1.08 0.03 0.00 -1.33 0.00 0.00 58.87 58.90 2wh3 n SER 193 Cb 0.46 -1.28 0.40 0.00 -0.75 0.00 0.00 64.21 63.04 2wh3 n SER 193 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wh3 h PRO 194 N 6.04 0.00 0.10 -1.46 0.11 -1.91 -3.25 132.00 131.63 2wh3 h PRO 194 Ca -0.47 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 2wh3 h PRO 194 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2wh3 h PRO 194 CO 0.86 0.32 -1.36 0.74 -0.21 0.00 0.00 178.00 178.36 2wh3 h PHE 195 N 0.00 0.37 -2.67 0.65 0.04 -1.98 -3.46 116.94 109.89 2wh3 h PHE 195 Ca -0.00 -0.27 -0.58 0.00 2.80 0.00 0.00 57.97 59.91 2wh3 h PHE 195 Cb 0.58 -0.01 0.08 0.00 2.20 0.00 0.00 35.95 38.80 2wh3 h PHE 195 CO 0.00 1.53 0.60 -3.47 -0.60 0.00 0.00 178.31 176.37 2wh3 n ASP 196 N -4.00 2.71 -0.15 2.17 -0.08 -1.23 -4.89 116.55 111.10 2wh3 n ASP 196 Ca -0.25 1.14 -0.04 0.00 -1.51 0.00 0.00 54.79 54.13 2wh3 n ASP 196 Cb 0.86 -1.42 0.05 0.00 2.34 0.00 0.00 41.12 42.95 2wh3 n ASP 196 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wh3 h ALA 197 N 4.14 0.56 -0.91 -1.67 0.00 -1.89 -3.13 119.26 116.36 2wh3 h ALA 197 Ca -0.45 0.06 -0.68 0.00 0.00 0.00 0.00 54.91 53.84 2wh3 h ALA 197 Cb 1.28 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 2wh3 h ALA 197 CO 0.75 -0.22 0.88 -1.13 0.00 0.00 0.00 179.25 179.53 2wh3 n SER 198 N -5.01 7.42 -2.49 0.00 3.41 -1.26 -4.91 113.62 110.78 2wh3 n SER 198 Ca 0.04 -3.70 -0.10 0.00 -0.26 0.00 0.00 58.87 54.85 2wh3 n SER 198 Cb 0.18 -1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 2wh3 n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh3 n GLY 199 N -0.47 -0.33 3.75 5.00 0.00 -1.18 -4.86 105.19 107.10 2wh3 n GLY 199 Ca 0.55 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 2wh3 n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh3 s ARG 200 N -4.16 3.23 -0.06 1.61 0.52 -1.26 -4.55 118.95 114.28 2wh3 s ARG 200 Ca 0.19 2.09 -0.30 0.00 -0.52 0.00 0.00 55.73 57.20 2wh3 s ARG 200 Cb -0.11 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2wh3 s ARG 200 CO 0.24 -1.08 1.01 0.50 0.02 0.00 0.00 175.30 175.99 2wh3 s ARG 201 N -2.92 4.47 0.37 3.54 3.52 -1.26 -1.41 118.95 125.26 2wh3 s ARG 201 Ca 0.71 1.43 0.04 0.00 -0.13 0.00 0.00 55.73 57.77 2wh3 s ARG 201 Cb -0.37 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 2wh3 s ARG 201 CO 0.43 -0.22 0.13 -1.01 -0.81 0.00 0.00 175.30 173.83 2wh3 s HIS 202 N 1.62 1.77 0.08 5.12 3.76 -0.60 -4.89 115.29 122.14 2wh3 s HIS 202 Ca 0.50 -1.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.20 2wh3 s HIS 202 Cb -0.20 -1.09 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 2wh3 s HIS 202 CO 0.22 -0.34 -0.14 0.99 -0.85 0.00 0.00 174.74 174.63 2wh3 s THR 203 N -3.31 3.12 -0.02 1.30 2.01 -1.26 -2.50 115.64 114.97 2wh3 s THR 203 Ca 0.28 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 2wh3 s THR 203 Cb 0.04 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.17 2wh3 s THR 203 CO 0.16 0.21 0.05 -0.44 -0.69 0.00 0.00 174.62 173.90 2wh3 s SER 204 N -1.88 0.01 0.30 3.53 0.01 0.75 -4.63 113.70 111.79 2wh3 s SER 204 Ca 0.18 0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.62 2wh3 s SER 204 Cb -0.11 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.07 2wh3 s SER 204 CO 0.10 -0.10 -0.13 -0.36 0.41 0.00 0.00 173.24 173.16 2wh3 s PHE 205 N 0.77 2.25 0.04 2.43 0.40 -0.83 -0.29 117.98 122.75 2wh3 s PHE 205 Ca -0.06 -0.47 -0.26 0.00 -0.60 0.00 0.00 56.93 55.54 2wh3 s PHE 205 Cb -0.09 -1.15 0.06 0.00 0.51 0.00 0.00 43.02 42.36 2wh3 s PHE 205 CO -0.03 0.58 0.61 0.00 0.70 0.00 0.00 175.22 177.08 2wh3 s ALA 206 N -2.65 -1.58 0.07 5.36 0.00 -0.50 -2.71 121.76 119.74 2wh3 s ALA 206 Ca 0.30 0.87 0.06 0.00 0.00 0.00 0.00 51.96 53.19 2wh3 s ALA 206 Cb -0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2wh3 s ALA 206 CO 0.15 -0.52 -0.10 0.20 0.00 0.00 0.00 175.76 175.49 2wh3 s GLY 207 N -1.84 1.76 -0.04 0.00 0.00 0.50 -0.58 107.32 107.12 2wh3 s GLY 207 Ca -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.46 2wh3 s GLY 207 CO 0.00 -1.12 0.04 0.14 0.00 0.00 0.00 173.10 172.16 2wh3 s VAL 208 N -1.13 -0.02 -0.15 1.40 1.01 -0.60 -1.98 120.40 118.93 2wh3 s VAL 208 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2wh3 s VAL 208 Cb -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2wh3 s VAL 208 CO 0.11 0.17 -0.15 -1.61 0.00 0.00 0.00 175.10 173.63 2wh3 s GLU 209 N 1.89 3.26 -0.28 2.72 2.02 -0.56 -1.19 118.70 126.57 2wh3 s GLU 209 Ca 0.02 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2wh3 s GLU 209 Cb -0.12 -2.62 0.05 0.00 0.10 0.00 0.00 34.13 31.54 2wh3 s GLU 209 CO -0.03 0.08 -0.05 0.08 0.02 0.00 0.00 175.26 175.35 2wh3 s VAL 210 N 0.68 2.65 0.27 2.63 1.01 -1.26 -2.21 120.40 124.16 2wh3 s VAL 210 Ca -0.07 -1.44 0.10 0.00 0.00 0.00 0.00 61.98 60.57 2wh3 s VAL 210 Cb -0.16 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2wh3 s VAL 210 CO 0.02 -0.04 -0.16 0.27 0.00 0.00 0.00 175.10 175.19 2wh3 s ILE 211 N 1.20 2.23 -0.00 2.22 -4.36 -1.09 -4.87 121.20 116.53 2wh3 s ILE 211 Ca -0.06 -2.32 -0.06 0.00 -0.26 0.00 0.00 60.65 57.95 2wh3 s ILE 211 Cb -0.19 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 41.17 2wh3 s ILE 211 CO -0.03 -0.41 0.24 -2.16 0.24 0.00 0.00 174.94 172.82 2wh3 s PRO 212 N -3.57 3.54 -0.05 0.37 0.04 -1.26 -0.54 135.00 133.54 2wh3 s PRO 212 Ca 0.29 -0.13 -0.18 0.00 0.04 0.00 0.00 61.00 61.01 2wh3 s PRO 212 Cb -0.03 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 2wh3 s PRO 212 CO 0.13 0.66 0.51 -1.83 0.04 0.00 0.00 177.00 176.51 2wh3 s GLU 213 N -1.76 4.25 0.00 4.56 -1.05 -0.51 -4.86 118.70 119.33 2wh3 s GLU 213 Ca 0.27 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 2wh3 s GLU 213 Cb -0.13 -3.35 0.00 0.00 -0.44 0.00 0.00 34.13 30.21 2wh3 s GLU 213 CO 0.16 0.35 0.00 1.55 0.95 0.00 0.00 175.26 178.27 2wh3 n VAL 214 N 2.90 0.00 -2.06 1.83 3.14 -1.26 -4.54 118.33 118.34 2wh3 n VAL 214 Ca -0.08 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.95 2wh3 n VAL 214 Cb 0.51 -0.04 -0.04 0.00 -1.06 0.00 0.00 33.84 33.22 2wh3 n VAL 214 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wh3 s ASP 215 N -2.29 5.26 -0.01 6.55 2.15 -1.26 -4.67 116.67 122.40 2wh3 s ASP 215 Ca 0.00 -0.06 0.12 0.00 0.43 0.00 0.00 52.55 53.03 2wh3 s ASP 215 Cb 0.00 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 39.91 2wh3 s ASP 215 CO 0.00 -2.49 0.29 -0.62 -0.17 0.00 0.00 175.17 172.18 2wh3 n GLU 216 N 9.07 0.77 -3.62 4.34 1.02 -1.26 -4.96 120.64 126.00 2wh3 n GLU 216 Ca 0.27 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 2wh3 n GLU 216 Cb 0.50 -1.24 -0.13 0.00 -0.02 0.00 0.00 31.44 30.55 2wh3 n GLU 216 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wh3 s GLU 217 N -2.70 0.16 -0.94 3.49 0.41 -1.26 -5.10 118.70 112.76 2wh3 s GLU 217 Ca -0.03 0.66 -0.08 0.00 -0.41 0.00 0.00 54.97 55.11 2wh3 s GLU 217 Cb 0.08 -0.22 0.24 0.00 -1.78 0.00 0.00 34.13 32.44 2wh3 s GLU 217 CO 0.48 -0.35 0.88 0.54 -0.49 0.00 0.00 175.26 176.31 2wh3 s VAL 218 N 2.41 5.29 -0.05 2.63 0.11 -1.26 -5.05 120.40 124.47 2wh3 s VAL 218 Ca 0.03 -3.24 -0.20 0.00 -2.93 0.00 0.00 61.98 55.64 2wh3 s VAL 218 Cb -0.13 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.44 2wh3 s VAL 218 CO -0.09 -1.09 0.57 -0.70 -3.33 0.00 0.00 175.10 170.45 2wh3 s GLU 219 N -0.79 4.33 -0.30 1.54 2.12 -1.26 -5.07 118.70 119.27 2wh3 s GLU 219 Ca 0.25 0.65 -0.01 0.00 0.36 0.00 0.00 54.97 56.22 2wh3 s GLU 219 Cb -0.10 -3.39 0.10 0.00 0.26 0.00 0.00 34.13 30.99 2wh3 s GLU 219 CO -0.09 0.25 0.09 0.08 -0.54 0.00 0.00 175.26 175.06 2wh3 s VAL 220 N 0.24 0.81 0.09 3.70 1.01 -1.26 -5.13 120.40 119.85 2wh3 s VAL 220 Ca 0.30 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.03 2wh3 s VAL 220 Cb -0.17 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2wh3 s VAL 220 CO 0.15 -0.65 -0.08 -0.69 0.00 0.00 0.00 175.10 173.83 2wh3 s VAL 221 N 1.66 3.53 -0.01 2.92 1.01 -1.26 -5.12 120.40 123.12 2wh3 s VAL 221 Ca 0.09 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2wh3 s VAL 221 Cb -0.17 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 2wh3 s VAL 221 CO -0.25 0.15 0.49 -0.22 0.00 0.00 0.00 175.10 175.27 2wh3 s LEU 222 N -2.13 4.43 -0.38 3.92 1.98 -1.26 -5.07 118.68 120.17 2wh3 s LEU 222 Ca 0.22 1.03 -0.10 0.00 -2.89 0.00 0.00 54.13 52.39 2wh3 s LEU 222 Cb -0.11 -2.74 0.04 0.00 0.66 0.00 0.00 46.19 44.04 2wh3 s LEU 222 CO 0.14 0.20 0.20 -0.54 -1.89 0.00 0.00 176.35 174.46 2wh3 s LYS 223 N -0.54 2.74 0.29 1.98 -0.14 -1.26 -4.98 119.74 117.84 2wh3 s LYS 223 Ca 0.27 -1.17 0.08 0.00 -1.36 0.00 0.00 55.97 53.79 2wh3 s LYS 223 Cb -0.17 -3.70 0.88 0.00 -1.68 0.00 0.00 37.83 33.16 2wh3 s LYS 223 CO 0.15 -0.75 1.38 -2.30 -0.76 0.00 0.00 175.35 173.07 2wh3 n PRO 224 N 4.95 -0.06 0.03 -1.68 -0.02 -1.26 0.27 135.00 137.23 2wh3 n PRO 224 Ca -0.12 1.27 0.06 0.00 -2.02 0.00 0.00 63.50 62.70 2wh3 n PRO 224 Cb 0.45 -2.12 0.26 0.00 -0.02 0.00 0.00 33.50 32.07 2wh3 n PRO 224 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wh3 n GLU 225 N -5.16 0.04 -0.21 -0.52 0.00 -1.26 -1.43 120.64 112.10 2wh3 n GLU 225 Ca 0.26 0.38 0.09 0.00 0.00 0.00 0.00 57.16 57.88 2wh3 n GLU 225 Cb 0.86 -1.58 0.25 0.00 0.00 0.00 0.00 31.44 30.97 2wh3 n GLU 225 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2wh3 n GLU 226 N -1.65 2.12 -3.83 3.44 -0.58 0.77 -4.88 120.64 116.02 2wh3 n GLU 226 Ca 0.02 -1.72 -0.09 0.00 -0.42 0.00 0.00 57.16 54.95 2wh3 n GLU 226 Cb 0.12 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2wh3 n GLU 226 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2wh3 s LEU 227 N -1.19 -0.02 -0.03 -4.62 0.05 -0.52 0.35 118.68 112.70 2wh3 s LEU 227 Ca 0.34 -0.62 0.01 0.00 0.05 0.00 0.00 54.13 53.91 2wh3 s LEU 227 Cb 0.18 2.29 0.02 0.00 -2.05 0.00 0.00 46.19 46.63 2wh3 s LEU 227 CO 0.25 -1.18 -0.01 -0.60 -0.55 0.00 0.00 176.35 174.25 2wh3 s ARG 228 N -3.92 0.37 -0.34 1.48 3.52 -0.05 -4.86 118.95 115.15 2wh3 s ARG 228 Ca 0.13 0.01 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 2wh3 s ARG 228 Cb -0.03 -0.48 0.02 0.00 -1.56 0.00 0.00 34.95 32.90 2wh3 s ARG 228 CO 0.03 -0.08 0.15 0.42 -0.81 0.00 0.00 175.30 175.01 2wh3 s ILE 229 N 0.77 4.26 -0.30 4.11 1.01 -1.26 -1.46 121.20 128.33 2wh3 s ILE 229 Ca -0.08 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 2wh3 s ILE 229 Cb -0.11 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 2wh3 s ILE 229 CO -0.01 -0.10 0.52 -1.81 0.00 0.00 0.00 174.94 173.54 2wh3 s ASP 230 N 1.52 6.38 -0.10 3.58 1.01 -0.40 -4.93 116.67 123.73 2wh3 s ASP 230 Ca 0.02 0.27 -0.03 0.00 0.71 0.00 0.00 52.55 53.52 2wh3 s ASP 230 Cb -0.18 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2wh3 s ASP 230 CO 0.05 -0.38 0.02 -0.69 0.21 0.00 0.00 175.17 174.38 2wh3 s VAL 231 N 2.37 4.45 0.16 -1.27 1.01 -1.26 -1.04 120.40 124.82 2wh3 s VAL 231 Ca 0.20 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 2wh3 s VAL 231 Cb -0.15 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.41 2wh3 s VAL 231 CO 0.11 0.60 1.03 0.00 0.00 0.00 0.00 175.10 176.84 2wh3 s MET 232 N -0.80 1.22 0.29 2.72 0.23 0.07 -5.01 119.30 118.01 2wh3 s MET 232 Ca 0.12 -0.75 -0.29 0.00 -1.03 0.00 0.00 55.69 53.74 2wh3 s MET 232 Cb -0.12 0.36 -0.10 0.00 -1.53 0.00 0.00 34.83 33.45 2wh3 s MET 232 CO 0.02 -0.57 1.12 1.03 -2.03 0.00 0.00 175.02 174.60 2wh3 s ARG 233 N -2.53 4.59 0.96 3.16 0.52 -1.26 -0.52 118.95 123.87 2wh3 s ARG 233 Ca 0.18 1.85 -0.12 0.00 -0.52 0.00 0.00 55.73 57.13 2wh3 s ARG 233 Cb -0.02 -3.16 0.16 0.00 0.52 0.00 0.00 34.95 32.46 2wh3 s ARG 233 CO 0.04 0.15 1.09 0.00 0.02 0.00 0.00 175.30 176.60 2wh3 s ALA 234 N -1.17 1.16 -0.18 2.13 0.00 -1.26 -4.65 121.76 117.79 2wh3 s ALA 234 Ca 0.45 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2wh3 s ALA 234 Cb -0.33 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2wh3 s ALA 234 CO 0.42 -2.67 -0.18 0.45 0.00 0.00 0.00 175.76 173.78 2wh3 s SER 235 N -3.35 3.08 0.00 0.00 0.15 -1.26 -4.91 113.70 107.41 2wh3 s SER 235 Ca 0.65 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2wh3 s SER 235 Cb -0.19 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2wh3 s SER 235 CO 0.58 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.61 2wh3 n GLY 236 N 4.65 0.48 3.79 9.45 0.00 -1.26 -5.13 105.19 117.16 2wh3 n GLY 236 Ca -0.20 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2wh3 n GLY 236 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wh3 s PRO 237 N -2.00 3.11 0.00 1.61 0.02 -1.26 -4.83 135.00 131.65 2wh3 s PRO 237 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.31 2wh3 s PRO 237 Cb 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2wh3 s PRO 237 CO 0.00 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 2wh3 n GLY 238 N -0.78 0.04 6.84 0.52 0.00 -1.26 -4.54 105.19 106.02 2wh3 n GLY 238 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2wh3 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLY 239 N 0.00 2.20 0.12 -0.02 0.00 -1.26 0.22 105.19 106.44 2wh3 n GLY 239 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2wh3 n GLY 239 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh3 n GLN 240 N 13.69 0.12 0.00 1.61 3.00 -1.26 -1.39 117.38 133.15 2wh3 n GLN 240 Ca 0.00 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2wh3 n GLN 240 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 28.40 2wh3 n GLN 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wh3 n GLY 241 N -1.00 -0.42 0.57 1.08 0.00 0.13 -2.50 105.19 103.05 2wh3 n GLY 241 Ca -0.00 0.00 0.43 0.00 0.00 0.00 0.00 46.02 46.44 2wh3 n GLY 241 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wh3 h VAL 242 N 0.00 0.14 0.15 1.61 3.04 -1.22 -2.09 116.25 117.88 2wh3 h VAL 242 Ca 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 2wh3 h VAL 242 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 2wh3 h VAL 242 CO 0.00 0.01 -0.07 0.78 -1.01 0.00 0.00 177.57 177.28 2wh3 h ASN 243 N 0.05 -0.17 -2.14 3.17 -0.26 -1.33 -3.38 115.58 111.53 2wh3 h ASN 243 Ca 0.81 -0.37 -0.74 0.00 -0.56 0.00 0.00 56.30 55.44 2wh3 h ASN 243 Cb 2.95 0.04 -0.31 0.00 -1.06 0.00 0.00 38.32 39.94 2wh3 h ASN 243 CO -0.18 0.38 0.54 0.35 -1.06 0.00 0.00 177.43 177.46 2wh3 n THR 244 N -4.92 4.60 -3.64 2.81 -2.24 -0.79 -4.94 114.28 105.17 2wh3 n THR 244 Ca -0.08 -5.44 -0.05 0.00 -2.27 0.00 0.00 64.05 56.21 2wh3 n THR 244 Cb 0.27 -1.43 -0.06 0.00 -2.10 0.00 0.00 70.33 67.01 2wh3 n THR 244 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wh3 s THR 245 N -4.64 -0.25 -1.32 4.28 -4.23 -1.22 -4.97 115.64 103.29 2wh3 s THR 245 Ca 0.45 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 2wh3 s THR 245 Cb 0.28 -1.00 0.11 0.00 1.34 0.00 0.00 72.50 73.23 2wh3 s THR 245 CO -0.20 0.00 1.85 0.47 -0.54 0.00 0.00 174.62 176.20 2wh3 n ASP 246 N 4.58 4.74 -0.06 3.99 10.43 -1.26 -4.12 116.55 134.85 2wh3 n ASP 246 Ca -0.18 -2.96 -0.22 0.00 2.57 0.00 0.00 54.79 54.01 2wh3 n ASP 246 Cb 0.56 -1.62 -0.12 0.00 1.84 0.00 0.00 41.12 41.78 2wh3 n ASP 246 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2wh3 n SER 247 N 6.05 1.96 -4.64 -2.24 3.41 -0.84 -4.43 113.62 112.89 2wh3 n SER 247 Ca 0.45 0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.98 2wh3 n SER 247 Cb 0.41 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 2wh3 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wh3 s ALA 248 N -2.44 3.31 0.33 7.33 0.00 0.33 -4.18 121.76 126.44 2wh3 s ALA 248 Ca -0.26 0.98 0.08 0.00 0.00 0.00 0.00 51.96 52.75 2wh3 s ALA 248 Cb 0.06 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 2wh3 s ALA 248 CO 0.66 -1.94 0.22 0.54 0.00 0.00 0.00 175.76 175.24 2wh3 s VAL 249 N 5.53 3.31 -0.28 0.00 0.11 -0.88 -0.75 120.40 127.44 2wh3 s VAL 249 Ca 0.87 -1.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2wh3 s VAL 249 Cb -0.36 -3.09 0.16 0.00 -1.53 0.00 0.00 36.38 31.57 2wh3 s VAL 249 CO 0.36 -0.19 0.43 -0.60 -3.33 0.00 0.00 175.10 171.78 2wh3 s ARG 250 N -3.92 0.42 0.05 1.54 3.52 -0.21 -0.97 118.95 119.39 2wh3 s ARG 250 Ca 0.39 0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 56.09 2wh3 s ARG 250 Cb -0.04 -0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.05 2wh3 s ARG 250 CO 0.25 -0.93 0.62 0.08 -0.81 0.00 0.00 175.30 174.50 2wh3 s VAL 251 N 2.59 4.76 -0.23 7.11 1.01 0.82 -1.27 120.40 135.18 2wh3 s VAL 251 Ca 0.11 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 2wh3 s VAL 251 Cb -0.13 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.37 2wh3 s VAL 251 CO -0.26 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 174.67 2wh3 s VAL 252 N -0.71 0.84 -0.65 2.92 1.01 -0.54 -0.76 120.40 122.51 2wh3 s VAL 252 Ca 0.31 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2wh3 s VAL 252 Cb -0.20 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.85 2wh3 s VAL 252 CO 0.19 -0.29 1.40 -2.28 0.00 0.00 0.00 175.10 174.12 2wh3 s HIS 253 N 1.70 2.22 0.06 5.22 5.65 -1.21 -0.88 115.29 128.06 2wh3 s HIS 253 Ca 0.00 0.28 -0.14 0.00 0.25 0.00 0.00 55.06 55.45 2wh3 s HIS 253 Cb -0.18 -4.46 -0.04 0.00 -1.18 0.00 0.00 32.58 26.72 2wh3 s HIS 253 CO -0.11 -2.03 1.24 -0.07 -0.65 0.00 0.00 174.74 173.12 2wh3 h LEU 254 N 13.44 -0.90 0.00 8.88 3.38 0.56 -1.05 115.31 139.62 2wh3 h LEU 254 Ca -0.27 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wh3 h LEU 254 Cb 1.08 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2wh3 h LEU 254 CO 1.23 -0.14 0.00 -2.65 0.09 0.00 0.00 178.44 176.96 2wh3 n PRO 255 N -3.95 0.00 -0.38 1.13 -0.02 -1.26 -2.02 135.00 128.50 2wh3 n PRO 255 Ca -0.00 0.69 -0.05 0.00 -2.02 0.00 0.00 63.50 62.11 2wh3 n PRO 255 Cb 0.14 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 2wh3 n PRO 255 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2wh3 h THR 256 N 0.00 0.01 0.00 3.45 1.35 -1.92 -3.45 112.91 112.36 2wh3 h THR 256 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wh3 h THR 256 Cb 0.00 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 2wh3 h THR 256 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wh3 n GLY 257 N -1.39 0.81 3.63 5.82 0.00 -0.40 -5.07 105.19 108.59 2wh3 n GLY 257 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2wh3 n GLY 257 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wh3 s ILE 258 N -2.00 2.25 -0.13 -0.61 -5.25 -1.21 -4.92 121.20 109.33 2wh3 s ILE 258 Ca 0.00 0.08 -0.05 0.00 -0.99 0.00 0.00 60.65 59.69 2wh3 s ILE 258 Cb 0.00 -2.22 0.06 0.00 2.95 0.00 0.00 42.46 43.25 2wh3 s ILE 258 CO 0.00 -0.11 0.28 0.28 -1.79 0.00 0.00 174.94 173.61 2wh3 s THR 259 N -2.66 -0.34 -0.03 8.37 -1.32 -1.26 -3.30 115.64 115.11 2wh3 s THR 259 Ca 0.66 0.23 0.06 0.00 -1.21 0.00 0.00 61.69 61.44 2wh3 s THR 259 Cb -0.22 -0.46 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2wh3 s THR 259 CO 0.60 0.10 -0.22 -0.69 -2.21 0.00 0.00 174.62 172.20 2wh3 s VAL 260 N 2.14 1.74 -0.02 5.08 1.01 0.06 -5.03 120.40 125.40 2wh3 s VAL 260 Ca -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2wh3 s VAL 260 Cb -0.11 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2wh3 s VAL 260 CO -0.09 0.49 -0.11 0.42 0.00 0.00 0.00 175.10 175.81 2wh3 s THR 261 N -0.37 0.86 -0.05 3.92 -4.23 -1.26 -0.13 115.64 114.39 2wh3 s THR 261 Ca 0.04 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2wh3 s THR 261 Cb -0.10 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 73.03 2wh3 s THR 261 CO 0.00 0.25 -0.07 0.00 -0.54 0.00 0.00 174.62 174.26 2wh3 n GLN 263 N 3.91 1.24 0.00 0.00 6.02 -1.26 -2.08 117.38 125.21 2wh3 n GLN 263 Ca -0.24 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 2wh3 n GLN 263 Cb 0.51 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 31.01 2wh3 n GLN 263 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2wh3 n THR 264 N -0.30 0.00 -0.84 5.09 -1.04 -1.26 -4.76 114.28 111.16 2wh3 n THR 264 Ca 0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.68 2wh3 n THR 264 Cb 0.43 -0.69 0.10 0.00 -1.82 0.00 0.00 70.33 68.35 2wh3 n THR 264 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wh3 n THR 265 N 0.00 0.00 1.70 12.58 -2.24 -1.26 -4.82 114.28 120.25 2wh3 n THR 265 Ca 0.00 -0.27 0.06 0.00 -2.27 0.00 0.00 64.05 61.57 2wh3 n THR 265 Cb 0.00 -0.40 0.31 0.00 -2.10 0.00 0.00 70.33 68.13 2wh3 n THR 265 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wh3 n ARG 266 N -0.30 1.25 -3.82 -0.78 1.74 -1.26 -4.84 116.66 108.65 2wh3 n ARG 266 Ca 0.03 -0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 56.37 2wh3 n ARG 266 Cb 0.58 -1.22 -0.05 0.00 -1.02 0.00 0.00 32.46 30.74 2wh3 n ARG 266 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2wh3 s SER 267 N -1.33 6.45 0.09 0.55 0.15 -1.26 -4.85 113.70 113.50 2wh3 s SER 267 Ca 0.20 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.37 2wh3 s SER 267 Cb 0.10 -2.07 -0.25 0.00 -1.71 0.00 0.00 66.02 62.09 2wh3 s SER 267 CO 0.15 0.32 1.20 -0.61 1.20 0.00 0.00 173.24 175.50 2wh3 h GLN 268 N 4.38 0.14 0.28 5.44 4.15 -1.81 -2.88 115.11 124.80 2wh3 h GLN 268 Ca -0.52 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 58.66 2wh3 h GLN 268 Cb 1.21 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.99 2wh3 h GLN 268 CO 0.63 1.10 -0.13 0.82 -1.93 0.00 0.00 178.83 179.32 2wh3 h ILE 269 N 0.04 0.00 -0.05 2.39 2.04 -1.93 -1.30 117.51 118.69 2wh3 h ILE 269 Ca -0.08 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2wh3 h ILE 269 Cb 1.88 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2wh3 h ILE 269 CO 0.17 0.00 0.11 0.11 0.00 0.00 0.00 178.15 178.54 2wh3 h LYS 270 N -0.83 0.00 0.15 2.37 1.57 -1.99 -0.57 116.57 117.27 2wh3 h LYS 270 Ca -0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 2wh3 h LYS 270 Cb 0.28 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.62 2wh3 h LYS 270 CO 0.06 0.00 -0.93 -0.91 -0.57 0.00 0.00 179.45 177.10 2wh3 h ASN 271 N 0.00 0.56 -0.90 0.86 4.21 -1.56 -3.24 115.58 115.51 2wh3 h ASN 271 Ca 0.03 -0.93 0.24 0.00 1.21 0.00 0.00 56.30 56.84 2wh3 h ASN 271 Cb 0.25 -0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 37.22 2wh3 h ASN 271 CO -0.00 1.44 0.62 0.50 -1.29 0.00 0.00 177.43 178.71 2wh3 h LYS 272 N -0.23 0.18 0.13 0.81 3.64 0.12 0.48 116.57 121.71 2wh3 h LYS 272 Ca -0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2wh3 h LYS 272 Cb 1.72 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2wh3 h LYS 272 CO 0.18 0.12 -0.06 0.93 -2.27 0.00 0.00 179.45 178.35 2wh3 h GLU 273 N 0.19 -0.16 -0.90 1.90 5.08 -1.53 -2.20 114.58 116.96 2wh3 h GLU 273 Ca 0.45 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.93 2wh3 h GLU 273 Cb 1.47 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.68 2wh3 h GLU 273 CO -0.10 0.31 0.54 -0.07 -1.00 0.00 0.00 179.01 178.69 2wh3 h LEU 274 N -0.85 0.78 0.00 1.33 4.07 -1.44 0.45 115.31 119.66 2wh3 h LEU 274 Ca -0.02 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2wh3 h LEU 274 Cb 0.55 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2wh3 h LEU 274 CO 0.03 0.43 0.00 0.00 -1.08 0.00 0.00 178.44 177.82 2wh3 n ALA 275 N -2.37 -0.08 0.15 1.53 0.00 0.11 -1.03 120.51 118.82 2wh3 n ALA 275 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2wh3 n ALA 275 Cb 0.30 0.42 -0.06 0.00 0.00 0.00 0.00 19.45 20.11 2wh3 n ALA 275 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh3 h LEU 276 N 0.00 -0.87 -0.84 0.00 3.38 -0.69 -1.91 115.31 114.39 2wh3 h LEU 276 Ca 0.00 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.21 2wh3 h LEU 276 Cb 0.00 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 40.92 2wh3 h LEU 276 CO 0.00 -0.42 -0.30 0.50 0.09 0.00 0.00 178.44 178.32 2wh3 h LYS 277 N -0.58 -0.04 0.52 1.13 3.64 -0.73 2.31 116.57 122.82 2wh3 h LYS 277 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2wh3 h LYS 277 Cb 0.57 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2wh3 h LYS 277 CO -0.13 -0.03 -0.50 0.82 -2.27 0.00 0.00 179.45 177.34 2wh3 h ILE 278 N -0.04 0.02 -0.14 2.00 5.03 -0.81 0.38 117.51 123.95 2wh3 h ILE 278 Ca 0.35 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 65.14 2wh3 h ILE 278 Cb 0.60 0.02 -0.06 0.00 -3.03 0.00 0.00 36.82 34.35 2wh3 h ILE 278 CO -0.87 0.00 -0.31 0.25 -0.68 0.00 0.00 178.15 176.54 2wh3 h LEU 279 N -1.01 -0.96 0.03 1.44 6.46 0.33 -0.27 115.31 121.33 2wh3 h LEU 279 Ca -0.06 0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2wh3 h LEU 279 Cb 0.88 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 41.18 2wh3 h LEU 279 CO -0.05 -0.35 -0.45 0.50 -0.62 0.00 0.00 178.44 177.47 2wh3 h LYS 280 N -0.38 -0.56 0.00 1.25 3.64 0.40 0.11 116.57 121.03 2wh3 h LYS 280 Ca 0.10 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wh3 h LYS 280 Cb 0.53 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2wh3 h LYS 280 CO -0.35 -0.38 0.14 0.00 -2.27 0.00 0.00 179.45 176.59 2wh3 h ALA 281 N -0.64 1.11 0.00 5.00 0.00 0.01 -0.72 119.26 124.03 2wh3 h ALA 281 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wh3 h ALA 281 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wh3 h ALA 281 CO -0.28 -0.11 -1.29 0.54 0.00 0.00 0.00 179.25 178.11 2wh3 n ARG 282 N -2.44 0.57 0.10 0.00 1.74 0.23 -3.58 116.66 113.28 2wh3 n ARG 282 Ca -0.02 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.84 2wh3 n ARG 282 Cb 0.18 -1.70 -0.15 0.00 -1.02 0.00 0.00 32.46 29.76 2wh3 n ARG 282 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wh3 h LEU 283 N 0.00 0.68 -0.75 0.55 3.38 0.33 -2.81 115.31 116.69 2wh3 h LEU 283 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2wh3 h LEU 283 Cb 0.96 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2wh3 h LEU 283 CO 0.00 1.67 0.04 0.00 0.09 0.00 0.00 178.44 180.24 2wh3 n TYR 284 N -3.78 0.38 -0.04 1.13 9.36 -0.88 0.22 117.16 123.54 2wh3 n TYR 284 Ca -0.19 0.20 -0.21 0.00 3.32 0.00 0.00 57.90 61.01 2wh3 n TYR 284 Cb 1.03 -0.79 -0.13 0.00 -0.63 0.00 0.00 39.34 38.82 2wh3 n TYR 284 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2wh3 h GLU 285 N 0.00 0.14 -0.00 2.98 4.57 -1.58 -2.91 114.58 117.77 2wh3 h GLU 285 Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2wh3 h GLU 285 Cb 0.08 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2wh3 h GLU 285 CO 0.00 1.11 -0.02 -0.11 -1.18 0.00 0.00 179.01 178.81 2wh3 n LEU 286 N -4.04 0.34 -0.01 1.64 0.00 -0.04 -2.29 117.00 112.60 2wh3 n LEU 286 Ca -0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 56.01 55.66 2wh3 n LEU 286 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 43.42 44.19 2wh3 n LEU 286 CO 0.32 0.06 -0.03 -0.08 0.00 0.00 0.00 177.39 177.66 2wh3 h GLU 287 N 0.51 0.00 0.00 1.96 4.22 0.25 -3.26 114.58 118.26 2wh3 h GLU 287 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2wh3 h GLU 287 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wh3 h GLU 287 CO 0.00 0.00 0.00 -2.13 -2.18 0.00 0.00 179.01 174.70 2wh3 n ARG 288 N -2.68 0.48 -0.04 1.92 0.63 -1.10 -0.35 116.66 115.52 2wh3 n ARG 288 Ca -0.01 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2wh3 n ARG 288 Cb 0.02 -1.10 -0.00 0.00 0.45 0.00 0.00 32.46 31.83 2wh3 n ARG 288 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wh3 h LYS 289 N 0.00 0.00 -0.45 -0.14 1.63 -1.55 -3.33 116.57 112.73 2wh3 h LYS 289 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wh3 h LYS 289 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2wh3 h LYS 289 CO 0.00 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.63 2wh3 n LYS 290 N -4.00 1.96 -0.25 1.90 5.02 -1.02 -3.11 118.16 118.65 2wh3 n LYS 290 Ca -0.01 -1.16 0.11 0.00 -2.02 0.00 0.00 58.31 55.23 2wh3 n LYS 290 Cb 0.05 -1.39 0.27 0.00 -0.02 0.00 0.00 35.03 33.93 2wh3 n LYS 290 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wh3 n ARG 291 N 0.36 2.48 0.00 1.97 0.00 0.53 -3.72 116.66 118.29 2wh3 n ARG 291 Ca 0.11 -2.27 0.00 0.00 -0.00 0.00 0.00 57.85 55.69 2wh3 n ARG 291 Cb 0.36 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.31 2wh3 n ARG 291 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wh3 n GLU 292 N 1.40 3.19 -0.30 -0.14 1.02 -1.18 -4.63 120.64 120.00 2wh3 n GLU 292 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2wh3 n GLU 292 Cb 0.57 -0.34 0.11 0.00 -0.02 0.00 0.00 31.44 31.76 2wh3 n GLU 292 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wh3 n GLU 293 N -0.50 2.06 0.06 3.49 1.02 -1.24 -3.07 120.64 122.46 2wh3 n GLU 293 Ca 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 2wh3 n GLU 293 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2wh3 n GLU 293 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wh3 n GLU 294 N 0.16 0.00 0.00 3.49 1.02 -1.26 -4.71 120.64 119.34 2wh3 n GLU 294 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2wh3 n GLU 294 Cb 0.60 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 2wh3 n GLU 294 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wh3 n LEU 295 N -3.31 0.00 -0.91 -4.62 4.77 -1.24 0.51 117.00 112.21 2wh3 n LEU 295 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2wh3 n LEU 295 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 2wh3 n LEU 295 CO 0.00 0.00 0.63 1.17 -1.33 0.00 0.00 177.39 177.86 2wh3 n LYS 296 N -0.85 2.20 -0.06 3.23 4.81 -1.17 -4.01 118.16 122.30 2wh3 n LYS 296 Ca 0.00 -2.02 -0.01 0.00 -0.87 0.00 0.00 58.31 55.41 2wh3 n LYS 296 Cb 0.00 -1.40 -0.16 0.00 0.02 0.00 0.00 35.03 33.49 2wh3 n LYS 296 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh3 n ALA 297 N 1.11 2.06 0.42 3.14 0.00 0.18 -4.09 120.51 123.35 2wh3 n ALA 297 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2wh3 n ALA 297 Cb 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2wh3 n ALA 297 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh3 n LEU 298 N -2.51 0.09 0.00 0.00 4.77 -1.24 -1.00 117.00 117.11 2wh3 n LEU 298 Ca -0.20 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2wh3 n LEU 298 Cb 0.88 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2wh3 n LEU 298 CO 0.42 0.02 -0.23 0.54 -1.33 0.00 0.00 177.39 176.82 2wh3 n ARG 299 N -0.20 0.78 0.00 3.23 1.74 -1.26 -4.75 116.66 116.20 2wh3 n ARG 299 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wh3 n ARG 299 Cb 0.02 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 2wh3 n ARG 299 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh3 n GLY 300 N 2.06 0.69 2.62 -0.13 0.00 -0.17 -4.79 105.19 105.48 2wh3 n GLY 300 Ca 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 2wh3 n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wh3 s GLU 301 N 0.00 0.96 0.00 1.61 2.02 -1.26 -4.68 118.70 117.34 2wh3 s GLU 301 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.53 2wh3 s GLU 301 Cb 0.00 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.56 2wh3 s GLU 301 CO 0.00 -1.34 0.00 1.33 0.02 0.00 0.00 175.26 175.27 2wh3 n VAL 302 N 3.06 0.00 -3.24 2.63 0.24 -1.26 -5.07 118.33 114.68 2wh3 n VAL 302 Ca 0.22 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.29 2wh3 n VAL 302 Cb 0.52 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 2wh3 n VAL 302 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2wh3 n GLU 303 N 0.00 -4.30 0.00 7.34 0.28 -1.26 -4.88 120.64 117.82 2wh3 n GLU 303 Ca 0.00 0.68 0.01 0.00 -0.16 0.00 0.00 57.16 57.70 2wh3 n GLU 303 Cb 0.00 -5.48 0.07 0.00 1.43 0.00 0.00 31.44 27.46 2wh3 n GLU 303 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2wh3 n PRO 304 N -3.95 0.05 -2.36 3.44 -0.02 -1.26 -4.74 135.00 126.17 2wh3 n PRO 304 Ca -0.06 0.16 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 2wh3 n PRO 304 Cb 0.58 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2wh3 n PRO 304 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2wh3 n ILE 305 N -1.17 -0.24 -3.44 4.25 3.06 -1.26 -4.87 119.36 115.68 2wh3 n ILE 305 Ca 0.01 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.21 2wh3 n ILE 305 Cb 0.02 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 39.42 2wh3 n ILE 305 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2wh3 n GLU 306 N -2.53 1.22 -1.25 9.51 4.07 -1.26 -2.07 120.64 128.33 2wh3 n GLU 306 Ca -0.07 -0.71 -0.29 0.00 -0.06 0.00 0.00 57.16 56.03 2wh3 n GLU 306 Cb 0.52 0.05 0.16 0.00 -0.06 0.00 0.00 31.44 32.11 2wh3 n GLU 306 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2wh3 s TRP 307 N -0.37 2.22 0.00 4.31 0.52 -1.26 -3.33 118.94 121.03 2wh3 s TRP 307 Ca 0.08 1.00 0.00 0.00 0.02 0.00 0.00 56.10 57.20 2wh3 s TRP 307 Cb -0.01 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 2wh3 s TRP 307 CO 0.05 -2.71 0.00 0.41 0.02 0.00 0.00 176.95 174.72 2wh3 n GLY 308 N -1.32 0.00 0.66 0.98 0.00 -1.26 -4.59 105.19 99.67 2wh3 n GLY 308 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 2wh3 n GLY 308 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wh3 n SER 309 N 0.00 1.97 -4.81 1.61 3.41 -1.21 -4.94 113.62 109.66 2wh3 n SER 309 Ca 0.00 -1.83 -0.33 0.00 -0.26 0.00 0.00 58.87 56.45 2wh3 n SER 309 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2wh3 n SER 309 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wh3 s GLN 310 N -1.66 3.43 0.00 4.33 1.03 -1.26 -4.19 119.66 121.35 2wh3 s GLN 310 Ca 0.31 1.20 0.00 0.00 0.04 0.00 0.00 55.36 56.91 2wh3 s GLN 310 Cb 0.17 -2.05 0.00 0.00 0.03 0.00 0.00 33.01 31.16 2wh3 s GLN 310 CO 0.24 -0.72 0.63 0.44 -2.54 0.00 0.00 175.29 173.35 2wh3 n ILE 311 N -1.86 0.40 -3.25 3.63 -5.35 -0.32 -4.93 119.36 107.69 2wh3 n ILE 311 Ca 0.09 -0.50 0.03 0.00 -0.27 0.00 0.00 62.75 62.10 2wh3 n ILE 311 Cb 0.53 0.93 -0.04 0.00 -1.74 0.00 0.00 39.64 39.32 2wh3 n ILE 311 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wh3 s ARG 312 N -0.40 0.09 0.07 6.28 3.52 -1.25 -3.25 118.95 124.01 2wh3 s ARG 312 Ca 0.00 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 2wh3 s ARG 312 Cb 0.00 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 2wh3 s ARG 312 CO 0.00 -0.03 0.10 -1.12 -0.81 0.00 0.00 175.30 173.44 2wh3 s SER 313 N 2.09 5.67 -0.58 -2.12 0.01 -1.06 -0.87 113.70 116.83 2wh3 s SER 313 Ca -0.01 0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.36 2wh3 s SER 313 Cb -0.02 -1.57 0.23 0.00 0.21 0.00 0.00 66.02 64.88 2wh3 s SER 313 CO -0.16 0.18 0.63 -1.22 0.41 0.00 0.00 173.24 173.07 2wh3 n TYR 314 N 0.47 2.34 -2.46 2.43 4.02 -0.11 -2.47 117.16 121.38 2wh3 n TYR 314 Ca -0.08 -3.99 -0.41 0.00 -0.01 0.00 0.00 57.90 53.42 2wh3 n TYR 314 Cb 0.52 -0.46 -0.04 0.00 -0.02 0.00 0.00 39.34 39.33 2wh3 n TYR 314 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2wh3 s VAL 315 N -1.84 3.58 -0.04 -0.72 -7.23 -1.05 -2.93 120.40 110.18 2wh3 s VAL 315 Ca 0.36 1.48 0.06 0.00 -1.81 0.00 0.00 61.98 62.06 2wh3 s VAL 315 Cb 0.11 -3.94 -0.09 0.00 0.56 0.00 0.00 36.38 33.03 2wh3 s VAL 315 CO -0.07 0.30 0.08 0.18 -0.31 0.00 0.00 175.10 175.28 2wh3 n LEU 316 N 1.74 0.00 -0.06 1.32 4.77 -0.66 -2.70 117.00 121.41 2wh3 n LEU 316 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2wh3 n LEU 316 Cb 0.45 0.08 0.28 0.00 -2.33 0.00 0.00 43.42 41.90 2wh3 n LEU 316 CO 0.54 0.08 0.68 -0.90 -1.33 0.00 0.00 177.39 176.47 2wh3 n ASP 317 N -1.99 0.17 -0.15 -1.43 5.75 -1.26 -2.33 116.55 115.31 2wh3 n ASP 317 Ca -0.06 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2wh3 n ASP 317 Cb 0.45 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2wh3 n ASP 317 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wh3 n LYS 318 N -0.54 0.04 -1.47 0.11 4.76 -1.26 -5.10 118.16 114.70 2wh3 n LYS 318 Ca 0.08 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.84 2wh3 n LYS 318 Cb 0.06 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 2wh3 n LYS 318 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wh3 n ASN 319 N -0.01 -3.53 0.00 4.39 5.03 -0.98 -5.01 115.26 115.15 2wh3 n ASN 319 Ca 0.00 0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.87 2wh3 n ASN 319 Cb 0.56 -0.72 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 2wh3 n ASN 319 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wh3 n TYR 320 N 1.63 0.00 -3.92 3.10 0.18 -1.10 -4.71 117.16 112.34 2wh3 n TYR 320 Ca 0.00 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.48 2wh3 n TYR 320 Cb 0.02 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.83 2wh3 n TYR 320 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2wh3 s VAL 321 N -1.85 1.53 0.58 -3.48 1.01 -0.74 -2.53 120.40 114.92 2wh3 s VAL 321 Ca 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 2wh3 s VAL 321 Cb 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2wh3 s VAL 321 CO 0.00 -0.22 0.92 -0.75 0.00 0.00 0.00 175.10 175.05 2wh3 s LYS 322 N 1.37 3.21 -0.41 2.72 2.47 -1.03 -3.24 119.74 124.83 2wh3 s LYS 322 Ca -0.02 0.26 0.04 0.00 -1.56 0.00 0.00 55.97 54.69 2wh3 s LYS 322 Cb -0.19 -2.23 0.17 0.00 -1.46 0.00 0.00 37.83 34.12 2wh3 s LYS 322 CO -0.08 -0.58 0.35 0.34 0.16 0.00 0.00 175.35 175.53 2wh3 s ASP 323 N -4.23 1.34 0.55 1.43 -1.08 -1.25 -2.58 116.67 110.85 2wh3 s ASP 323 Ca 0.53 -2.91 0.06 0.00 -0.52 0.00 0.00 52.55 49.71 2wh3 s ASP 323 Cb -0.11 -0.28 0.32 0.00 -1.46 0.00 0.00 42.92 41.39 2wh3 s ASP 323 CO 0.48 -0.17 1.11 0.45 0.52 0.00 0.00 175.17 177.55 2wh3 h HIS 324 N 5.72 0.00 0.00 -5.34 3.86 -1.87 0.83 115.15 118.35 2wh3 h HIS 324 Ca 0.24 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 2wh3 h HIS 324 Cb 0.93 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2wh3 h HIS 324 CO 0.27 0.00 -0.20 0.00 0.86 0.00 0.00 177.93 178.86 2wh3 h ARG 325 N 0.00 0.00 0.00 2.45 3.08 -1.94 -3.43 114.38 114.54 2wh3 h ARG 325 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh3 h ARG 325 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2wh3 h ARG 325 CO 0.00 0.88 0.00 -2.37 -1.07 0.00 0.00 179.97 177.41 2wh3 n THR 326 N -4.60 0.00 0.00 2.04 5.66 -0.10 -5.07 114.28 112.21 2wh3 n THR 326 Ca -0.12 0.39 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 2wh3 n THR 326 Cb 0.46 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 2wh3 n THR 326 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wh3 n GLY 327 N 1.78 4.48 0.42 1.09 0.00 0.27 -4.99 105.19 108.24 2wh3 n GLY 327 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 2wh3 n GLY 327 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh3 n LEU 328 N 0.00 0.13 -4.12 0.99 0.00 -1.26 -3.76 117.00 108.98 2wh3 n LEU 328 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 56.01 55.81 2wh3 n LEU 328 Cb 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 43.42 43.16 2wh3 n LEU 328 CO 0.00 -0.10 -0.53 -0.32 0.00 0.00 0.00 177.39 176.44 2wh3 s MET 329 N 0.42 2.94 0.28 1.96 1.75 -1.26 -3.78 119.30 121.60 2wh3 s MET 329 Ca 0.13 -0.81 0.06 0.00 -1.25 0.00 0.00 55.69 53.82 2wh3 s MET 329 Cb -0.17 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.96 2wh3 s MET 329 CO 0.09 -0.17 0.31 1.03 -0.65 0.00 0.00 175.02 175.62 2wh3 s ARG 330 N 1.21 3.06 -0.20 4.11 0.52 -1.20 -4.92 118.95 121.53 2wh3 s ARG 330 Ca 0.03 -1.01 0.16 0.00 -0.52 0.00 0.00 55.73 54.38 2wh3 s ARG 330 Cb -0.13 -2.68 0.52 0.00 0.52 0.00 0.00 34.95 33.18 2wh3 s ARG 330 CO -0.11 0.29 1.42 0.72 0.02 0.00 0.00 175.30 177.65 2wh3 n HIS 331 N -1.36 0.96 -1.77 -0.53 8.25 -1.26 -1.79 115.22 117.72 2wh3 n HIS 331 Ca -0.06 -0.99 -0.08 0.00 -0.26 0.00 0.00 57.72 56.33 2wh3 n HIS 331 Cb 0.58 -0.34 0.13 0.00 1.12 0.00 0.00 29.99 31.47 2wh3 n HIS 331 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wh3 n ASP 332 N -0.64 3.25 -0.09 0.41 5.75 -1.26 -4.53 116.55 119.43 2wh3 n ASP 332 Ca 0.23 -3.83 0.01 0.00 -0.01 0.00 0.00 54.79 51.19 2wh3 n ASP 332 Cb 0.91 -0.46 0.03 0.00 -1.03 0.00 0.00 41.12 40.57 2wh3 n ASP 332 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2wh3 n PRO 333 N -0.94 -0.03 -0.16 0.11 -0.04 -1.26 0.37 135.00 133.05 2wh3 n PRO 333 Ca 0.31 0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 64.13 2wh3 n PRO 333 Cb 0.83 -0.60 0.14 0.00 -0.04 0.00 0.00 33.50 33.82 2wh3 n PRO 333 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2wh3 h GLU 334 N 0.00 0.90 -0.04 0.54 9.09 -1.94 0.42 114.58 123.56 2wh3 h GLU 334 Ca 0.12 -0.22 -0.07 0.00 0.05 0.00 0.00 59.36 59.24 2wh3 h GLU 334 Cb 0.18 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2wh3 h GLU 334 CO -0.27 0.85 -0.28 -0.97 0.05 0.00 0.00 179.01 178.39 2wh3 h ASN 335 N 0.85 0.07 -0.23 3.06 -0.73 0.63 -1.55 115.58 117.68 2wh3 h ASN 335 Ca 0.17 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.21 2wh3 h ASN 335 Cb 0.39 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.96 2wh3 h ASN 335 CO 0.01 0.35 -0.33 0.58 -0.37 0.00 0.00 177.43 177.67 2wh3 h VAL 336 N 0.06 1.32 0.00 2.57 2.07 -0.08 -2.84 116.25 119.36 2wh3 h VAL 336 Ca 0.01 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.00 2wh3 h VAL 336 Cb 0.53 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2wh3 h VAL 336 CO 0.04 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.29 2wh3 n LEU 337 N -4.28 2.37 0.00 2.57 4.77 0.03 -2.16 117.00 120.30 2wh3 n LEU 337 Ca -0.05 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2wh3 n LEU 337 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wh3 n LEU 337 CO 0.45 0.45 0.00 0.47 -1.33 0.00 0.00 177.39 177.42 2wh3 n ASP 338 N 1.71 0.00 0.00 -1.43 9.92 -1.07 -4.61 116.55 121.07 2wh3 n ASP 338 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2wh3 n ASP 338 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 2wh3 n ASP 338 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wh3 n GLY 339 N 0.00 0.84 0.00 0.44 0.00 -0.92 -4.33 105.19 101.22 2wh3 n GLY 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh3 n GLY 339 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wh3 n ASP 340 N 0.00 0.01 -0.37 1.61 9.92 -1.24 -3.49 116.55 122.98 2wh3 n ASP 340 Ca 0.00 0.46 0.29 0.00 -0.53 0.00 0.00 54.79 55.01 2wh3 n ASP 340 Cb 0.00 -0.46 0.47 0.00 -0.64 0.00 0.00 41.12 40.48 2wh3 n ASP 340 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wh3 n LEU 341 N -1.47 0.06 -0.11 0.64 4.77 -1.26 -2.65 117.00 116.99 2wh3 n LEU 341 Ca -0.00 0.74 -0.03 0.00 -0.03 0.00 0.00 56.01 56.69 2wh3 n LEU 341 Cb 0.04 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2wh3 n LEU 341 CO 0.00 -0.77 0.42 0.23 -1.33 0.00 0.00 177.39 175.94 2wh3 n MET 342 N -3.55 -0.11 -0.27 3.23 2.81 -1.23 -0.99 117.12 117.01 2wh3 n MET 342 Ca 0.26 0.98 -0.07 0.00 -1.81 0.00 0.00 57.70 57.07 2wh3 n MET 342 Cb 1.12 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 32.10 2wh3 n MET 342 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2wh3 n ASP 343 N -3.53 -0.67 0.25 7.83 10.43 -1.08 -0.32 116.55 129.46 2wh3 n ASP 343 Ca 0.01 1.34 0.12 0.00 2.57 0.00 0.00 54.79 58.83 2wh3 n ASP 343 Cb 0.07 -0.25 0.61 0.00 1.84 0.00 0.00 41.12 43.38 2wh3 n ASP 343 CO 0.00 0.00 0.00 0.17 -1.07 0.00 0.00 177.20 176.30 2wh3 h LEU 344 N 0.00 0.00 0.00 0.64 -0.00 -1.68 -2.45 115.31 111.82 2wh3 h LEU 344 Ca 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2wh3 h LEU 344 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2wh3 h LEU 344 CO -0.59 0.15 -0.03 0.40 -0.00 0.00 0.00 178.44 178.37 2wh3 h ILE 345 N 0.00 0.92 -0.14 0.15 2.04 0.11 -0.47 117.51 120.12 2wh3 h ILE 345 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2wh3 h ILE 345 Cb 0.55 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2wh3 h ILE 345 CO 0.02 0.00 -0.28 -0.50 0.00 0.00 0.00 178.15 177.39 2wh3 h TRP 346 N -0.06 -0.86 -0.74 1.37 -0.00 -0.90 -1.33 115.95 113.43 2wh3 h TRP 346 Ca 0.01 0.04 0.07 0.00 -0.00 0.00 0.00 58.89 59.01 2wh3 h TRP 346 Cb 0.07 0.39 -0.09 0.00 -0.00 0.00 0.00 29.16 29.53 2wh3 h TRP 346 CO -0.10 -0.27 -0.43 0.00 -0.00 0.00 0.00 178.44 177.64 2wh3 n ALA 347 N -2.85 -0.45 -0.28 1.49 0.00 -0.96 0.56 120.51 118.03 2wh3 n ALA 347 Ca -0.02 0.64 -0.03 0.00 0.00 0.00 0.00 53.44 54.03 2wh3 n ALA 347 Cb 0.18 -0.12 0.03 0.00 0.00 0.00 0.00 19.45 19.54 2wh3 n ALA 347 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wh3 h GLY 348 N 0.00 0.02 0.69 0.00 0.00 0.02 0.51 103.07 104.31 2wh3 h GLY 348 Ca 0.13 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 2wh3 h GLY 348 CO -0.70 -0.22 -0.19 1.41 0.00 0.00 0.00 176.54 176.84 2wh3 h LEU 349 N -0.09 -0.45 0.00 3.11 3.38 0.75 0.77 115.31 122.79 2wh3 h LEU 349 Ca 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wh3 h LEU 349 Cb 0.57 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wh3 h LEU 349 CO -0.81 -0.09 0.03 -0.62 0.09 0.00 0.00 178.44 177.04 2wh3 n GLU 350 N -5.19 0.00 -0.01 1.13 1.02 0.12 0.44 120.64 118.15 2wh3 n GLU 350 Ca -0.10 0.14 -0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2wh3 n GLU 350 Cb 0.28 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2wh3 n GLU 350 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2wh3 n TRP 351 N -1.08 0.00 -0.06 -0.32 -0.00 0.17 -4.14 117.44 112.00 2wh3 n TRP 351 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.33 2wh3 n TRP 351 Cb 0.03 -0.15 -0.13 0.00 -0.00 0.00 0.00 31.31 31.06 2wh3 n TRP 351 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 2wh3 h LYS 352 N 0.00 0.04 -0.65 5.87 1.57 0.56 -3.34 116.57 120.63 2wh3 h LYS 352 Ca -0.06 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2wh3 h LYS 352 Cb 0.78 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2wh3 h LYS 352 CO 0.00 1.03 0.07 0.00 -0.57 0.00 0.00 179.45 179.99 2wh3 h ALA 353 N -0.11 0.90 0.00 3.86 0.00 -0.88 -3.30 119.26 119.74 2wh3 h ALA 353 Ca -0.11 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 2wh3 h ALA 353 Cb 1.17 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.74 2wh3 h ALA 353 CO -0.03 0.67 3.22 0.41 0.00 0.00 0.00 179.25 183.52 2wh3 n GLY 354 N -0.54 3.73 0.00 0.00 0.00 -1.25 -2.77 105.19 104.35 2wh3 n GLY 354 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2wh3 n GLY 354 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh3 n ARG 355 N 3.81 1.06 0.00 1.61 1.74 -1.24 -4.84 116.66 118.80 2wh3 n ARG 355 Ca 0.63 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.78 2wh3 n ARG 355 Cb 0.20 -0.14 0.39 0.00 -1.02 0.00 0.00 32.46 31.89 2wh3 n ARG 355 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65