#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n LEU 3 N 0.00 0.00 -3.38 1.53 7.94 -1.26 -5.04 117.00 116.79 2wh2 n LEU 3 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 2wh2 n LEU 3 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 2wh2 n LEU 3 CO 0.00 0.15 -0.16 -0.62 -1.11 0.00 0.00 177.39 175.65 2wh2 s ASP 4 N 0.00 1.42 0.23 1.96 -1.08 -1.26 -5.13 116.67 112.81 2wh2 s ASP 4 Ca 0.00 -0.95 -0.17 0.00 -0.52 0.00 0.00 52.55 50.91 2wh2 s ASP 4 Cb 0.00 0.57 0.02 0.00 -1.46 0.00 0.00 42.92 42.05 2wh2 s ASP 4 CO 0.00 -0.35 0.55 0.68 0.52 0.00 0.00 175.17 176.57 2wh2 s VAL 5 N 2.12 0.01 0.00 1.11 -7.23 -1.26 -5.09 120.40 110.07 2wh2 s VAL 5 Ca 0.11 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2wh2 s VAL 5 Cb -0.14 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2wh2 s VAL 5 CO -0.25 -0.06 0.00 0.00 -0.31 0.00 0.00 175.10 174.48 2wh2 n ALA 6 N -0.38 0.00 -0.10 1.32 0.00 -1.26 -2.18 120.51 117.91 2wh2 n ALA 6 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2wh2 n ALA 6 Cb 0.62 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.24 2wh2 n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh2 n LEU 7 N 0.00 0.08 -0.21 0.00 4.77 -1.26 0.14 117.00 120.52 2wh2 n LEU 7 Ca 0.00 0.43 0.01 0.00 -0.03 0.00 0.00 56.01 56.41 2wh2 n LEU 7 Cb 0.00 -0.21 0.09 0.00 -2.33 0.00 0.00 43.42 40.97 2wh2 n LEU 7 CO 0.00 -0.47 0.80 0.50 -1.33 0.00 0.00 177.39 176.88 2wh2 h LYS 8 N 0.00 0.07 0.40 3.23 3.64 -1.86 1.75 116.57 123.80 2wh2 h LYS 8 Ca 0.24 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2wh2 h LYS 8 Cb 0.68 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2wh2 h LYS 8 CO -0.18 0.04 -0.19 0.00 -2.27 0.00 0.00 179.45 176.85 2wh2 h ARG 9 N 0.07 -0.52 -1.68 1.90 3.08 0.12 -3.00 114.38 114.35 2wh2 h ARG 9 Ca 0.32 0.04 0.49 0.00 0.07 0.00 0.00 59.98 60.90 2wh2 h ARG 9 Cb 0.51 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.61 2wh2 h ARG 9 CO -0.58 -0.35 1.20 1.17 -1.07 0.00 0.00 179.97 180.34 2wh2 n LYS 10 N -3.98 -0.00 0.00 0.04 4.81 -0.63 -1.53 118.16 116.86 2wh2 n LYS 10 Ca -0.07 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2wh2 n LYS 10 Cb 0.21 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.08 2wh2 n LYS 10 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2wh2 n TYR 11 N -3.76 0.00 0.00 5.64 9.36 0.59 -3.56 117.16 125.43 2wh2 n TYR 11 Ca 0.39 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.61 2wh2 n TYR 11 Cb 1.73 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 40.36 2wh2 n TYR 11 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2wh2 n TYR 12 N -0.72 0.00 0.00 2.98 4.02 -0.58 -1.18 117.16 121.67 2wh2 n TYR 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wh2 n TYR 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wh2 n TYR 12 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2wh2 n GLU 13 N 0.00 0.00 0.00 -0.72 0.28 -1.25 -0.87 120.64 118.08 2wh2 n GLU 13 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2wh2 n GLU 13 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2wh2 n GLU 13 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2wh2 n GLU 14 N -2.39 0.00 -0.29 3.44 1.02 -1.23 -4.18 120.64 117.01 2wh2 n GLU 14 Ca 0.00 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 2wh2 n GLU 14 Cb 0.00 -0.67 0.28 0.00 -0.02 0.00 0.00 31.44 31.03 2wh2 n GLU 14 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wh2 h VAL 15 N 0.00 0.43 0.00 2.62 2.07 -0.91 -1.96 116.25 118.49 2wh2 h VAL 15 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2wh2 h VAL 15 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2wh2 h VAL 15 CO 0.00 0.06 0.00 0.54 0.02 0.00 0.00 177.57 178.19 2wh2 n ARG 16 N -5.12 0.00 -0.27 1.57 5.12 -0.05 0.71 116.66 118.62 2wh2 n ARG 16 Ca 0.21 0.41 0.19 0.00 -1.93 0.00 0.00 57.85 56.72 2wh2 n ARG 16 Cb 0.63 -1.05 0.49 0.00 -1.16 0.00 0.00 32.46 31.37 2wh2 n ARG 16 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2wh2 h PRO 17 N 0.00 0.44 -0.47 5.56 0.13 -1.71 1.02 132.00 136.98 2wh2 h PRO 17 Ca 0.00 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2wh2 h PRO 17 Cb 0.00 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 30.95 2wh2 h PRO 17 CO 0.00 0.29 -0.48 1.49 -0.23 0.00 0.00 178.00 179.07 2wh2 h GLU 18 N 0.45 -0.25 0.00 0.86 4.57 -0.32 2.19 114.58 122.08 2wh2 h GLU 18 Ca 0.51 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.70 2wh2 h GLU 18 Cb 1.20 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2wh2 h GLU 18 CO -0.22 -0.17 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.33 2wh2 h LEU 19 N -0.26 0.00 -0.03 1.64 3.38 0.29 0.13 115.31 120.46 2wh2 h LEU 19 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2wh2 h LEU 19 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2wh2 h LEU 19 CO -0.58 0.04 -0.43 0.40 0.09 0.00 0.00 178.44 177.96 2wh2 h ILE 20 N 0.00 1.44 0.21 1.22 2.04 0.36 -3.21 117.51 119.57 2wh2 h ILE 20 Ca -0.00 -1.91 -0.33 0.00 1.00 0.00 0.00 64.86 63.62 2wh2 h ILE 20 Cb 0.90 2.50 0.02 0.00 -0.74 0.00 0.00 36.82 39.50 2wh2 h ILE 20 CO 0.00 0.55 -1.55 -0.09 0.00 0.00 0.00 178.15 177.06 2wh2 h ARG 21 N -0.18 0.44 0.00 2.37 1.12 0.34 1.09 114.38 119.56 2wh2 h ARG 21 Ca -0.04 -0.75 0.00 0.00 -1.11 0.00 0.00 59.98 58.08 2wh2 h ARG 21 Cb 1.12 0.28 0.00 0.00 -0.01 0.00 0.00 29.97 31.36 2wh2 h ARG 21 CO 0.09 1.35 0.05 0.00 -3.11 0.00 0.00 179.97 178.34 2wh2 h ARG 22 N 0.12 0.00 0.00 0.20 3.08 -0.81 -3.28 114.38 113.69 2wh2 h ARG 22 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2wh2 h ARG 22 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 2wh2 h ARG 22 CO 0.23 0.00 -0.22 1.19 -1.07 0.00 0.00 179.97 180.10 2wh2 n PHE 23 N -2.29 0.00 0.00 3.04 3.01 -1.21 -5.04 117.46 114.97 2wh2 n PHE 23 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2wh2 n PHE 23 Cb 0.08 0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2wh2 n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wh2 n GLY 24 N 1.91 0.82 3.81 1.37 0.00 0.37 -5.08 105.19 108.39 2wh2 n GLY 24 Ca 0.00 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 2wh2 n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh2 s TYR 25 N -1.71 3.02 -0.23 1.61 2.02 -0.71 -5.02 117.35 116.33 2wh2 s TYR 25 Ca 0.00 1.49 -0.04 0.00 -0.37 0.00 0.00 57.07 58.15 2wh2 s TYR 25 Cb 0.00 -2.97 -0.19 0.00 -0.40 0.00 0.00 41.96 38.40 2wh2 s TYR 25 CO 0.00 -1.15 -0.08 1.04 -1.57 0.00 0.00 175.55 173.79 2wh2 n GLN 26 N -2.37 0.66 -4.40 -0.62 1.13 -1.26 -5.00 117.38 105.53 2wh2 n GLN 26 Ca 0.08 0.22 -0.27 0.00 -1.94 0.00 0.00 57.00 55.09 2wh2 n GLN 26 Cb 0.53 -1.57 -0.12 0.00 0.11 0.00 0.00 30.24 29.19 2wh2 n GLN 26 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wh2 s ASN 27 N -6.81 3.53 0.36 1.08 0.01 -1.26 -4.98 114.94 106.88 2wh2 s ASN 27 Ca -0.32 -0.80 0.27 0.00 -0.71 0.00 0.00 52.86 51.30 2wh2 s ASN 27 Cb 0.09 -0.32 1.23 0.00 0.41 0.00 0.00 41.25 42.66 2wh2 s ASN 27 CO 0.62 0.13 1.80 0.58 -1.51 0.00 0.00 177.10 178.73 2wh2 h VAL 28 N 3.29 0.00 0.01 1.60 2.07 -1.96 -2.56 116.25 118.70 2wh2 h VAL 28 Ca -0.47 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 66.65 2wh2 h VAL 28 Cb 1.20 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2wh2 h VAL 28 CO 0.47 0.00 -1.10 -0.50 0.02 0.00 0.00 177.57 176.46 2wh2 h TRP 29 N 0.00 0.03 0.00 1.57 4.06 -2.01 -3.33 115.95 116.26 2wh2 h TRP 29 Ca 0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2wh2 h TRP 29 Cb 0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2wh2 h TRP 29 CO 0.00 1.43 0.00 -1.91 -3.56 0.00 0.00 178.44 174.40 2wh2 n GLU 30 N -4.41 0.00 -3.66 0.49 2.13 -0.97 -4.49 120.64 109.73 2wh2 n GLU 30 Ca -0.29 0.01 -0.27 0.00 0.66 0.00 0.00 57.16 57.26 2wh2 n GLU 30 Cb 0.67 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.85 2wh2 n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wh2 s VAL 31 N -1.74 5.19 0.19 6.31 0.11 -1.19 -4.91 120.40 124.36 2wh2 s VAL 31 Ca 0.00 -0.33 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 2wh2 s VAL 31 Cb 0.00 -3.73 -0.09 0.00 -1.53 0.00 0.00 36.38 31.02 2wh2 s VAL 31 CO 0.00 -0.19 1.41 -2.84 -3.33 0.00 0.00 175.10 170.15 2wh2 s PRO 32 N -3.36 4.30 0.33 1.54 0.02 -1.26 -4.98 135.00 131.59 2wh2 s PRO 32 Ca 0.39 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.65 2wh2 s PRO 32 Cb -0.11 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2wh2 s PRO 32 CO 0.29 -0.41 0.19 1.03 -0.33 0.00 0.00 177.00 177.77 2wh2 s ARG 33 N 0.29 1.69 -0.43 5.54 3.00 -1.26 -4.93 118.95 122.85 2wh2 s ARG 33 Ca 0.62 -1.98 -0.09 0.00 0.00 0.00 0.00 55.73 54.28 2wh2 s ARG 33 Cb -0.40 -0.04 0.09 0.00 0.00 0.00 0.00 34.95 34.61 2wh2 s ARG 33 CO 0.37 -0.52 0.28 -0.51 0.00 0.00 0.00 175.30 174.92 2wh2 s LEU 34 N -3.41 5.32 0.05 2.53 1.02 -1.26 -1.30 118.68 121.62 2wh2 s LEU 34 Ca 0.35 -1.67 -0.26 0.00 0.02 0.00 0.00 54.13 52.57 2wh2 s LEU 34 Cb 0.04 -1.98 -0.17 0.00 0.02 0.00 0.00 46.19 44.10 2wh2 s LEU 34 CO 0.20 -0.58 1.52 -0.33 0.02 0.00 0.00 176.35 177.17 2wh2 h GLU 35 N 8.39 -0.31 -2.14 1.70 5.08 -1.35 -3.40 114.58 122.56 2wh2 h GLU 35 Ca -0.22 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2wh2 h GLU 35 Cb 1.08 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.29 2wh2 h GLU 35 CO 0.78 -0.09 0.56 -1.59 -1.00 0.00 0.00 179.01 177.67 2wh2 s LYS 36 N -5.50 0.94 -0.22 2.33 -2.85 -1.05 -3.95 119.74 109.44 2wh2 s LYS 36 Ca -0.15 -0.48 -0.04 0.00 -1.00 0.00 0.00 55.97 54.31 2wh2 s LYS 36 Cb 0.04 0.34 0.10 0.00 -2.06 0.00 0.00 37.83 36.25 2wh2 s LYS 36 CO 0.62 -0.42 0.22 0.08 0.10 0.00 0.00 175.35 175.95 2wh2 s VAL 37 N -3.07 -0.31 -0.18 1.79 1.01 -0.33 0.12 120.40 119.43 2wh2 s VAL 37 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2wh2 s VAL 37 Cb -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2wh2 s VAL 37 CO -0.02 -0.27 0.14 0.68 0.00 0.00 0.00 175.10 175.64 2wh2 s VAL 38 N 2.31 5.42 0.26 2.92 -7.23 -1.14 -2.88 120.40 120.06 2wh2 s VAL 38 Ca 0.07 0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 2wh2 s VAL 38 Cb -0.16 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2wh2 s VAL 38 CO -0.16 0.47 0.43 0.27 -0.31 0.00 0.00 175.10 175.81 2wh2 s ILE 39 N 0.13 5.19 -0.12 -0.62 -5.25 -0.99 -1.10 121.20 118.44 2wh2 s ILE 39 Ca 0.09 -0.61 -0.16 0.00 -0.99 0.00 0.00 60.65 58.98 2wh2 s ILE 39 Cb -0.11 -3.82 0.04 0.00 2.95 0.00 0.00 42.46 41.52 2wh2 s ILE 39 CO -0.01 -0.36 0.43 0.21 -1.79 0.00 0.00 174.94 173.42 2wh2 s ASN 40 N -3.73 -0.41 -0.20 4.36 3.84 -1.15 -2.77 114.94 114.87 2wh2 s ASN 40 Ca 0.37 0.70 -0.00 0.00 0.21 0.00 0.00 52.86 54.14 2wh2 s ASN 40 Cb -0.10 0.74 0.05 0.00 -0.55 0.00 0.00 41.25 41.39 2wh2 s ASN 40 CO 0.31 -0.25 -0.04 -1.10 -2.79 0.00 0.00 177.10 173.23 2wh2 s GLN 41 N -0.21 1.42 0.07 0.43 -0.21 -1.11 -0.24 119.66 119.80 2wh2 s GLN 41 Ca -0.04 -0.72 -0.25 0.00 0.02 0.00 0.00 55.36 54.37 2wh2 s GLN 41 Cb -0.03 -2.29 -0.16 0.00 1.00 0.00 0.00 33.01 31.52 2wh2 s GLN 41 CO 0.02 -0.54 1.62 0.78 -2.12 0.00 0.00 175.29 175.06 2wh2 h GLY 42 N 8.06 -0.20 0.00 3.09 0.00 -1.90 -1.37 103.07 110.76 2wh2 h GLY 42 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2wh2 h GLY 42 CO 0.40 -0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.91 2wh2 n LEU 43 N -5.13 0.00 0.00 3.11 7.99 -1.26 -3.92 117.00 117.79 2wh2 n LEU 43 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2wh2 n LEU 43 Cb 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2wh2 n LEU 43 CO 0.34 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.83 2wh2 n GLY 44 N 0.00 0.79 0.13 -0.72 0.00 -1.26 -4.94 105.19 99.19 2wh2 n GLY 44 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2wh2 n GLY 44 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wh2 h GLU 45 N 3.03 0.32 -5.48 1.61 4.39 -1.95 -3.42 114.58 113.09 2wh2 h GLU 45 Ca 0.00 -0.55 -0.11 0.00 0.34 0.00 0.00 59.36 59.04 2wh2 h GLU 45 Cb 0.00 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2wh2 h GLU 45 CO 0.00 1.26 0.27 0.00 -1.16 0.00 0.00 179.01 179.38 2wh2 s ALA 46 N -2.53 1.02 0.00 3.43 0.00 -1.26 -4.63 121.76 117.79 2wh2 s ALA 46 Ca -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2wh2 s ALA 46 Cb 0.05 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2wh2 s ALA 46 CO 0.81 -5.55 0.00 1.63 0.00 0.00 0.00 175.76 172.66 2wh2 n LYS 47 N 8.83 0.00 -3.36 0.00 4.76 -1.26 -4.63 118.16 122.50 2wh2 n LYS 47 Ca 0.45 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.67 2wh2 n LYS 47 Cb 0.44 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2wh2 n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2wh2 s GLU 48 N 2.10 3.25 -0.26 1.97 8.01 -1.26 -4.54 118.70 127.97 2wh2 s GLU 48 Ca 0.00 -0.62 -0.04 0.00 0.01 0.00 0.00 54.97 54.31 2wh2 s GLU 48 Cb 0.00 -2.70 0.01 0.00 -4.31 0.00 0.00 34.13 27.12 2wh2 s GLU 48 CO 0.00 0.03 0.29 -3.47 0.01 0.00 0.00 175.26 172.13 2wh2 n ASP 49 N -1.79 -4.70 -3.78 -0.19 2.03 -1.26 -4.24 116.55 102.62 2wh2 n ASP 49 Ca -0.02 0.13 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 2wh2 n ASP 49 Cb 0.57 -3.00 -0.07 0.00 -0.72 0.00 0.00 41.12 37.90 2wh2 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wh2 n ALA 50 N -0.81 -1.31 -2.24 -1.67 0.00 -1.26 -4.83 120.51 108.39 2wh2 n ALA 50 Ca 0.03 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2wh2 n ALA 50 Cb 0.33 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 2wh2 n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wh2 s ARG 51 N -5.88 3.89 -0.18 0.00 1.81 -1.26 -4.89 118.95 112.44 2wh2 s ARG 51 Ca 0.31 1.54 -0.16 0.00 -1.72 0.00 0.00 55.73 55.70 2wh2 s ARG 51 Cb -0.18 -3.96 -0.06 0.00 -0.45 0.00 0.00 34.95 30.31 2wh2 s ARG 51 CO 0.74 -1.17 -0.30 -0.89 -0.68 0.00 0.00 175.30 173.00 2wh2 n ILE 52 N 6.22 1.48 -4.38 1.52 2.08 -1.26 -4.76 119.36 120.27 2wh2 n ILE 52 Ca 0.17 0.13 -0.36 0.00 0.56 0.00 0.00 62.75 63.25 2wh2 n ILE 52 Cb 0.46 -2.33 -0.09 0.00 -0.75 0.00 0.00 39.64 36.92 2wh2 n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wh2 n LEU 53 N -4.49 -0.88 0.02 1.39 7.99 -1.26 -4.69 117.00 115.08 2wh2 n LEU 53 Ca -0.15 -1.24 0.11 0.00 -0.01 0.00 0.00 56.01 54.73 2wh2 n LEU 53 Cb 0.48 -1.56 -0.01 0.00 -0.11 0.00 0.00 43.42 42.22 2wh2 n LEU 53 CO 0.18 0.29 -0.07 -0.62 -1.51 0.00 0.00 177.39 175.65 2wh2 n GLU 54 N -4.26 0.27 0.26 3.23 -0.58 -1.26 -4.01 120.64 114.29 2wh2 n GLU 54 Ca -0.11 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.50 2wh2 n GLU 54 Cb 0.57 -1.57 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 2wh2 n GLU 54 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2wh2 h LYS 55 N 0.00 -0.67 0.00 3.49 3.11 -1.99 -0.39 116.57 120.12 2wh2 h LYS 55 Ca 0.00 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2wh2 h LYS 55 Cb 0.71 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 2wh2 h LYS 55 CO 0.00 -0.45 0.29 0.00 -2.81 0.00 0.00 179.45 176.48 2wh2 n ALA 56 N -2.57 0.54 -0.05 5.00 0.00 -1.26 0.12 120.51 122.30 2wh2 n ALA 56 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 2wh2 n ALA 56 Cb 0.27 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 2wh2 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 h ALA 57 N 1.06 0.00 -0.95 0.00 0.00 -1.56 -2.85 119.26 114.96 2wh2 h ALA 57 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wh2 h ALA 57 Cb 0.57 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2wh2 h ALA 57 CO 0.00 0.32 0.58 -0.56 0.00 0.00 0.00 179.25 179.59 2wh2 h GLN 58 N -0.79 1.29 0.02 0.00 -0.00 0.51 -1.48 115.11 114.66 2wh2 h GLN 58 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2wh2 h GLN 58 Cb 0.32 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.48 27.52 2wh2 h GLN 58 CO 0.00 0.90 -0.08 1.49 -0.00 0.00 0.00 178.83 181.14 2wh2 h GLU 59 N 1.32 -0.11 -0.92 0.06 4.81 0.78 1.04 114.58 121.56 2wh2 h GLU 59 Ca 0.34 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.77 2wh2 h GLU 59 Cb -0.06 0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.17 2wh2 h GLU 59 CO -0.06 -0.07 -0.23 -0.11 -0.73 0.00 0.00 179.01 177.80 2wh2 n LEU 60 N -2.91 -0.33 -0.05 1.64 -0.00 -0.98 -0.58 117.00 113.79 2wh2 n LEU 60 Ca -0.01 1.59 -0.13 0.00 -0.00 0.00 0.00 56.01 57.45 2wh2 n LEU 60 Cb 0.06 -0.48 -0.07 0.00 -0.00 0.00 0.00 43.42 42.93 2wh2 n LEU 60 CO 0.02 -1.53 0.57 0.00 -0.00 0.00 0.00 177.39 176.46 2wh2 h ALA 61 N 1.85 0.21 0.00 1.96 0.00 -0.50 -3.20 119.26 119.58 2wh2 h ALA 61 Ca 0.45 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wh2 h ALA 61 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wh2 h ALA 61 CO -0.95 0.13 0.00 -0.11 0.00 0.00 0.00 179.25 178.32 2wh2 n LEU 62 N -4.52 0.73 0.00 0.00 0.00 0.35 0.55 117.00 114.12 2wh2 n LEU 62 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 56.01 55.58 2wh2 n LEU 62 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.69 2wh2 n LEU 62 CO 0.40 0.12 0.07 2.30 0.00 0.00 0.00 177.39 180.28 2wh2 n ILE 63 N 0.86 0.00 0.00 1.96 -6.64 -1.20 -4.58 119.36 109.75 2wh2 n ILE 63 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2wh2 n ILE 63 Cb 0.12 0.31 0.00 0.00 -1.44 0.00 0.00 39.64 38.63 2wh2 n ILE 63 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 2wh2 n THR 64 N 0.00 0.00 0.00 7.28 5.66 0.42 -4.99 114.28 122.66 2wh2 n THR 64 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2wh2 n THR 64 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2wh2 n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wh2 n GLY 65 N -0.07 1.61 3.50 1.09 0.00 0.19 -4.94 105.19 106.57 2wh2 n GLY 65 Ca 0.00 -0.69 -0.53 0.00 0.00 0.00 0.00 46.02 44.81 2wh2 n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh2 n GLN 66 N 0.00 1.09 -1.64 1.61 6.02 -1.26 -4.73 117.38 118.47 2wh2 n GLN 66 Ca 0.00 0.33 -0.37 0.00 -0.01 0.00 0.00 57.00 56.95 2wh2 n GLN 66 Cb 0.00 -2.33 0.07 0.00 1.02 0.00 0.00 30.24 28.99 2wh2 n GLN 66 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wh2 n LYS 67 N 7.50 0.94 -2.46 -1.09 4.01 -1.26 -4.70 118.16 121.09 2wh2 n LYS 67 Ca 0.38 0.37 -0.40 0.00 -0.51 0.00 0.00 58.31 58.15 2wh2 n LYS 67 Cb 0.19 -2.35 -0.04 0.00 -0.51 0.00 0.00 35.03 32.32 2wh2 n LYS 67 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 2wh2 s PRO 68 N -3.13 4.62 -0.36 1.97 0.02 -1.26 -4.83 135.00 132.02 2wh2 s PRO 68 Ca 0.79 1.81 -0.16 0.00 0.02 0.00 0.00 61.00 63.46 2wh2 s PRO 68 Cb -0.39 -3.20 -0.00 0.00 0.02 0.00 0.00 34.50 30.93 2wh2 s PRO 68 CO 0.44 0.17 0.41 0.00 -0.33 0.00 0.00 177.00 177.69 2wh2 s ALA 69 N -0.99 3.48 1.08 -1.55 0.00 0.17 -4.90 121.76 119.04 2wh2 s ALA 69 Ca 0.46 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 2wh2 s ALA 69 Cb -0.32 -2.91 0.10 0.00 0.00 0.00 0.00 23.12 19.98 2wh2 s ALA 69 CO 0.40 -1.22 0.17 0.28 0.00 0.00 0.00 175.76 175.39 2wh2 n VAL 70 N 5.33 0.00 -3.62 0.00 0.31 -1.26 -2.77 118.33 116.31 2wh2 n VAL 70 Ca -0.08 -0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 2wh2 n VAL 70 Cb 0.49 -0.63 -0.12 0.00 -0.91 0.00 0.00 33.84 32.66 2wh2 n VAL 70 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2wh2 s THR 71 N -2.29 -0.44 0.57 2.52 -4.23 0.15 -4.77 115.64 107.15 2wh2 s THR 71 Ca 0.57 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 2wh2 s THR 71 Cb -0.15 -0.51 -0.01 0.00 1.34 0.00 0.00 72.50 73.17 2wh2 s THR 71 CO 0.66 0.06 0.90 -0.13 -0.54 0.00 0.00 174.62 175.58 2wh2 s ARG 72 N 2.44 3.13 -0.13 3.99 0.52 -1.26 -2.66 118.95 124.99 2wh2 s ARG 72 Ca 0.02 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 2wh2 s ARG 72 Cb -0.13 -2.26 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 2wh2 s ARG 72 CO -0.10 -0.59 1.14 0.00 0.02 0.00 0.00 175.30 175.77 2wh2 s ALA 73 N -2.97 3.55 0.00 2.13 0.00 -0.82 -4.93 121.76 118.72 2wh2 s ALA 73 Ca 0.53 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2wh2 s ALA 73 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2wh2 s ALA 73 CO 0.46 -0.88 0.62 1.63 0.00 0.00 0.00 175.76 177.60 2wh2 n LYS 74 N 5.70 0.00 0.00 0.00 5.02 -1.26 -4.28 118.16 123.34 2wh2 n LYS 74 Ca 0.11 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2wh2 n LYS 74 Cb 0.46 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2wh2 n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh2 n LYS 75 N -0.86 0.00 0.00 1.97 5.02 -1.26 -4.72 118.16 118.31 2wh2 n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wh2 n LYS 75 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wh2 n LYS 75 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wh2 n SER 76 N 0.00 0.00 -4.92 4.39 3.41 -1.26 -2.71 113.62 112.52 2wh2 n SER 76 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2wh2 n SER 76 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2wh2 n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wh2 s ILE 77 N 0.00 5.36 -0.18 -1.33 -1.09 -1.26 -4.83 121.20 117.87 2wh2 s ILE 77 Ca 0.00 -0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 57.83 2wh2 s ILE 77 Cb 0.00 -3.65 -0.21 0.00 -1.58 0.00 0.00 42.46 37.01 2wh2 s ILE 77 CO 0.00 0.08 0.25 -0.24 -1.23 0.00 0.00 174.94 173.80 2wh2 n SER 78 N 0.10 1.95 -0.28 3.58 2.88 -1.26 -4.24 113.62 116.34 2wh2 n SER 78 Ca -0.05 0.35 0.27 0.00 -1.33 0.00 0.00 58.87 58.11 2wh2 n SER 78 Cb 0.52 -0.93 0.49 0.00 -0.75 0.00 0.00 64.21 63.53 2wh2 n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wh2 n ASN 79 N -4.13 0.27 -4.08 -3.46 4.13 -1.26 -2.99 115.26 103.73 2wh2 n ASN 79 Ca -0.33 1.31 -0.33 0.00 1.68 0.00 0.00 54.58 56.92 2wh2 n ASN 79 Cb 0.80 -0.64 -0.14 0.00 -1.54 0.00 0.00 39.78 38.26 2wh2 n ASN 79 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2wh2 s PHE 80 N -5.19 3.43 0.36 3.10 2.19 -1.26 -5.09 117.98 115.52 2wh2 s PHE 80 Ca -0.07 -2.44 -0.16 0.00 0.33 0.00 0.00 56.93 54.59 2wh2 s PHE 80 Cb 0.27 -2.35 -0.13 0.00 -1.31 0.00 0.00 43.02 39.51 2wh2 s PHE 80 CO 0.64 -0.89 0.01 1.63 1.83 0.00 0.00 175.22 178.43 2wh2 n LYS 81 N 4.43 0.00 -0.43 10.12 5.02 -1.16 -4.72 118.16 131.42 2wh2 n LYS 81 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2wh2 n LYS 81 Cb 0.42 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 2wh2 n LYS 81 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wh2 n LEU 82 N 1.96 -0.51 0.00 -0.35 0.00 -1.26 -5.07 117.00 111.77 2wh2 n LEU 82 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 56.01 56.87 2wh2 n LEU 82 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2wh2 n LEU 82 CO 0.44 -0.20 0.00 -2.11 0.00 0.00 0.00 177.39 175.52 2wh2 n ARG 83 N -1.76 0.00 0.00 1.96 0.00 -1.26 -4.65 116.66 110.96 2wh2 n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wh2 n ARG 83 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.58 2wh2 n ARG 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wh2 n LYS 84 N 0.00 0.00 0.00 2.89 5.02 -1.10 -4.61 118.16 120.36 2wh2 n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wh2 n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wh2 n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh2 n GLY 85 N 0.00 0.92 0.00 0.72 0.00 -1.26 -4.57 105.19 100.99 2wh2 n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wh2 n MET 86 N 0.00 0.00 0.00 1.61 0.00 -1.26 -1.94 117.12 115.53 2wh2 n MET 86 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 2wh2 n MET 86 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 33.22 33.15 2wh2 n MET 86 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2wh2 n PRO 87 N -1.91 0.00 -4.01 2.12 -0.02 -1.26 -4.03 135.00 125.90 2wh2 n PRO 87 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 2wh2 n PRO 87 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.37 2wh2 n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2wh2 s ILE 88 N -0.06 0.19 0.00 4.25 1.10 -1.25 -4.69 121.20 120.74 2wh2 s ILE 88 Ca 0.00 -1.07 0.00 0.00 -0.51 0.00 0.00 60.65 59.07 2wh2 s ILE 88 Cb 0.00 -0.50 0.00 0.00 0.15 0.00 0.00 42.46 42.11 2wh2 s ILE 88 CO 0.00 -0.56 0.00 0.61 -2.11 0.00 0.00 174.94 172.88 2wh2 n GLY 89 N 1.36 1.32 3.00 1.50 0.00 -1.09 -4.52 105.19 106.75 2wh2 n GLY 89 Ca -0.22 0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2wh2 n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh2 s LEU 90 N 0.00 4.96 -0.13 0.99 1.43 -0.51 0.31 118.68 125.72 2wh2 s LEU 90 Ca 0.00 -3.43 -0.07 0.00 -1.03 0.00 0.00 54.13 49.60 2wh2 s LEU 90 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2wh2 s LEU 90 CO 0.00 -0.20 0.12 -0.60 0.23 0.00 0.00 176.35 175.90 2wh2 s ARG 91 N -0.89 3.53 -0.07 1.70 3.00 -1.12 -2.74 118.95 122.36 2wh2 s ARG 91 Ca 0.22 -0.18 -0.04 0.00 -1.00 0.00 0.00 55.73 54.73 2wh2 s ARG 91 Cb -0.13 -3.18 0.03 0.00 0.00 0.00 0.00 34.95 31.67 2wh2 s ARG 91 CO -0.09 0.67 0.17 0.54 0.00 0.00 0.00 175.30 176.59 2wh2 s VAL 92 N -0.73 -0.04 0.13 7.11 0.11 -1.12 0.46 120.40 126.33 2wh2 s VAL 92 Ca 0.13 0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 2wh2 s VAL 92 Cb -0.12 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.39 2wh2 s VAL 92 CO 0.03 0.05 0.59 -0.89 -3.33 0.00 0.00 175.10 171.55 2wh2 s THR 93 N 0.93 4.76 -0.19 5.04 2.01 -1.26 -2.35 115.64 124.58 2wh2 s THR 93 Ca -0.07 1.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.99 2wh2 s THR 93 Cb -0.09 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.65 2wh2 s THR 93 CO -0.05 0.36 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.44 2wh2 s LEU 94 N -1.62 1.86 0.00 4.42 1.43 -1.14 -4.90 118.68 118.73 2wh2 s LEU 94 Ca 0.35 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2wh2 s LEU 94 Cb -0.17 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2wh2 s LEU 94 CO 0.19 -0.21 -0.12 -0.13 0.23 0.00 0.00 176.35 176.31 2wh2 s ARG 95 N 1.58 2.37 1.85 1.70 0.52 -1.26 -1.18 118.95 124.53 2wh2 s ARG 95 Ca -0.01 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 2wh2 s ARG 95 Cb -0.17 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 32.94 2wh2 s ARG 95 CO -0.07 0.59 0.00 0.54 0.02 0.00 0.00 175.30 176.37 2wh2 n ARG 96 N 1.74 0.00 -0.01 3.54 1.74 -1.25 -3.49 116.66 118.93 2wh2 n ARG 96 Ca -0.16 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.80 2wh2 n ARG 96 Cb 0.52 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.89 2wh2 n ARG 96 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wh2 h ASP 97 N 0.00 0.10 0.30 0.55 5.19 -1.96 -0.65 116.42 119.94 2wh2 h ASP 97 Ca 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2wh2 h ASP 97 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2wh2 h ASP 97 CO 0.00 0.33 0.00 0.54 -3.12 0.00 0.00 179.24 176.99 2wh2 n ARG 98 N -4.90 0.02 -0.06 3.56 5.12 -1.23 -2.16 116.66 117.01 2wh2 n ARG 98 Ca -0.07 0.37 -0.06 0.00 -1.93 0.00 0.00 57.85 56.17 2wh2 n ARG 98 Cb 0.16 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 2wh2 n ARG 98 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 2wh2 h MET 99 N 0.00 0.00 -0.52 5.56 1.85 -1.53 -3.35 114.93 116.95 2wh2 h MET 99 Ca 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 2wh2 h MET 99 Cb 0.15 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.11 2wh2 h MET 99 CO 0.00 0.33 -0.39 -1.49 -0.40 0.00 0.00 176.91 174.96 2wh2 h TRP 100 N -1.00 -1.23 0.00 1.39 -0.00 -0.61 1.04 115.95 115.54 2wh2 h TRP 100 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 2wh2 h TRP 100 Cb 0.45 0.61 0.00 0.00 -0.00 0.00 0.00 29.16 30.21 2wh2 h TRP 100 CO 0.04 -0.28 0.81 0.97 -0.00 0.00 0.00 178.44 179.98 2wh2 h ILE 101 N -0.11 0.00 0.04 1.49 -0.00 -1.70 1.74 117.51 118.97 2wh2 h ILE 101 Ca 0.08 0.00 -0.37 0.00 -0.00 0.00 0.00 64.86 64.57 2wh2 h ILE 101 Cb 0.33 0.18 -0.05 0.00 -0.00 0.00 0.00 36.82 37.27 2wh2 h ILE 101 CO -0.54 0.00 -2.26 0.33 -0.00 0.00 0.00 178.15 175.68 2wh2 n PHE 102 N -2.59 0.46 0.26 2.19 -0.00 0.33 -3.63 117.46 114.48 2wh2 n PHE 102 Ca -0.01 0.11 0.16 0.00 -0.00 0.00 0.00 57.45 57.71 2wh2 n PHE 102 Cb 0.83 -1.06 0.59 0.00 -0.00 0.00 0.00 39.48 39.83 2wh2 n PHE 102 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2wh2 h LEU 103 N 0.02 0.00 0.15 -2.13 3.38 0.51 -2.50 115.31 114.74 2wh2 h LEU 103 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2wh2 h LEU 103 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2wh2 h LEU 103 CO -0.00 0.03 -0.07 -0.08 0.09 0.00 0.00 178.44 178.40 2wh2 h GLU 104 N 0.00 -0.20 0.00 1.13 4.81 0.06 -3.06 114.58 117.32 2wh2 h GLU 104 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wh2 h GLU 104 Cb 0.61 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2wh2 h GLU 104 CO 0.00 0.18 0.00 1.63 -0.73 0.00 0.00 179.01 180.09 2wh2 n LYS 105 N -4.89 0.09 0.00 1.92 5.02 -1.18 -3.35 118.16 115.77 2wh2 n LYS 105 Ca -0.06 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2wh2 n LYS 105 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2wh2 n LYS 105 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wh2 n LEU 106 N -1.12 0.42 0.00 -0.35 7.94 -0.95 -3.49 117.00 119.45 2wh2 n LEU 106 Ca 0.02 0.25 0.05 0.00 -1.11 0.00 0.00 56.01 55.22 2wh2 n LEU 106 Cb 0.02 0.00 0.29 0.00 0.53 0.00 0.00 43.42 44.26 2wh2 n LEU 106 CO 0.02 0.00 0.53 0.00 -1.11 0.00 0.00 177.39 176.83 2wh2 n LEU 107 N -0.32 0.00 -1.02 -1.96 -0.00 -1.23 -2.38 117.00 110.09 2wh2 n LEU 107 Ca 0.00 0.04 0.11 0.00 -0.00 0.00 0.00 56.01 56.16 2wh2 n LEU 107 Cb 0.00 -0.04 0.17 0.00 -0.00 0.00 0.00 43.42 43.55 2wh2 n LEU 107 CO 0.00 -0.03 0.66 0.59 -0.00 0.00 0.00 177.39 178.61 2wh2 n ASN 108 N -1.04 3.19 0.03 1.45 4.13 -1.21 -4.55 115.26 117.27 2wh2 n ASN 108 Ca 0.07 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.38 2wh2 n ASN 108 Cb 0.04 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 2wh2 n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2wh2 n VAL 109 N 1.35 0.00 0.00 2.41 0.31 -1.16 -5.00 118.33 116.24 2wh2 n VAL 109 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2wh2 n VAL 109 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2wh2 n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh2 n ALA 110 N -2.45 0.00 -0.27 3.52 0.00 -1.00 0.81 120.51 121.12 2wh2 n ALA 110 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2wh2 n ALA 110 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 2wh2 n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh2 n LEU 111 N 0.00 -0.18 0.00 0.00 4.77 -1.20 -1.39 117.00 119.00 2wh2 n LEU 111 Ca 0.00 1.29 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 2wh2 n LEU 111 Cb 0.00 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2wh2 n LEU 111 CO 0.00 -1.27 0.28 -2.65 -1.33 0.00 0.00 177.39 172.42 2wh2 n PRO 112 N -5.14 0.00 -1.88 3.23 -0.02 -1.11 -3.79 135.00 126.29 2wh2 n PRO 112 Ca 0.15 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 2wh2 n PRO 112 Cb 0.48 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.87 2wh2 n PRO 112 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2wh2 s ARG 113 N -1.21 2.37 0.09 -0.52 1.70 0.24 -4.87 118.95 116.74 2wh2 s ARG 113 Ca 0.00 0.56 0.02 0.00 -0.47 0.00 0.00 55.73 55.84 2wh2 s ARG 113 Cb 0.00 -4.64 -0.04 0.00 -0.57 0.00 0.00 34.95 29.71 2wh2 s ARG 113 CO 0.00 -3.21 -0.07 0.42 -1.08 0.00 0.00 175.30 171.36 2wh2 s ILE 114 N 10.68 0.72 0.56 4.99 1.01 -1.25 -4.61 121.20 133.30 2wh2 s ILE 114 Ca 0.77 -1.75 0.47 0.00 0.00 0.00 0.00 60.65 60.15 2wh2 s ILE 114 Cb -0.12 -1.45 0.69 0.00 0.01 0.00 0.00 42.46 41.59 2wh2 s ILE 114 CO 0.15 -0.74 1.51 0.54 0.00 0.00 0.00 174.94 176.40 2wh2 n ARG 115 N 0.31 0.00 0.00 2.79 3.00 -1.26 -4.58 116.66 116.92 2wh2 n ARG 115 Ca -0.15 1.06 0.00 0.00 -0.01 0.00 0.00 57.85 58.76 2wh2 n ARG 115 Cb 0.59 -2.48 0.00 0.00 0.00 0.00 0.00 32.46 30.57 2wh2 n ARG 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2wh2 n ASP 116 N -3.80 0.00 0.00 0.55 2.03 -1.26 -5.19 116.55 108.88 2wh2 n ASP 116 Ca 0.41 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2wh2 n ASP 116 Cb 1.94 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 42.34 2wh2 n ASP 116 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2wh2 n PHE 117 N 0.00 0.00 -1.75 -0.67 -0.00 -1.26 -4.88 117.46 108.91 2wh2 n PHE 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2wh2 n PHE 117 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2wh2 n PHE 117 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2wh2 n ARG 118 N -0.15 0.00 0.00 -4.13 5.12 -1.26 -5.11 116.66 111.13 2wh2 n ARG 118 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wh2 n ARG 118 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wh2 n ARG 118 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wh2 n GLY 119 N 0.00 3.64 3.62 -0.13 0.00 -1.26 -4.39 105.19 106.67 2wh2 n GLY 119 Ca 0.00 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 2wh2 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh2 s LEU 120 N 0.00 3.28 -0.03 0.99 1.43 0.19 -4.66 118.68 119.87 2wh2 s LEU 120 Ca 0.00 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 2wh2 s LEU 120 Cb 0.00 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.28 2wh2 s LEU 120 CO 0.00 0.31 0.63 0.59 0.23 0.00 0.00 176.35 178.10 2wh2 n ASN 121 N 1.71 0.07 -0.05 2.29 3.02 -1.26 -3.39 115.26 117.66 2wh2 n ASN 121 Ca -0.16 0.64 0.01 0.00 -0.03 0.00 0.00 54.58 55.05 2wh2 n ASN 121 Cb 0.53 -0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 39.03 2wh2 n ASN 121 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wh2 n PRO 122 N 0.99 0.68 -0.16 3.52 -0.04 -1.26 -4.47 135.00 134.27 2wh2 n PRO 122 Ca 0.12 -0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2wh2 n PRO 122 Cb 0.04 -1.52 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 2wh2 n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wh2 n ASN 123 N -2.48 2.93 -1.41 3.54 4.13 -1.26 -4.67 115.26 116.04 2wh2 n ASN 123 Ca -0.17 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.22 2wh2 n ASN 123 Cb 0.83 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2wh2 n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2wh2 n SER 124 N 0.90 2.80 0.00 6.41 7.64 -1.26 -3.53 113.62 126.58 2wh2 n SER 124 Ca 0.14 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2wh2 n SER 124 Cb 0.46 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2wh2 n SER 124 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wh2 n PHE 125 N 1.28 0.00 -2.32 1.43 3.01 -1.26 -3.75 117.46 115.85 2wh2 n PHE 125 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 2wh2 n PHE 125 Cb 0.32 0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 39.94 2wh2 n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wh2 n ASP 126 N -1.50 -2.95 0.00 4.37 8.00 -1.23 -0.23 116.55 123.01 2wh2 n ASP 126 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2wh2 n ASP 126 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.51 2wh2 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wh2 n GLY 127 N -0.65 1.89 3.66 0.44 0.00 -1.26 -5.09 105.19 104.18 2wh2 n GLY 127 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2wh2 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh2 s ARG 128 N 0.00 4.15 0.00 1.61 1.81 0.69 -4.75 118.95 122.45 2wh2 s ARG 128 Ca 0.00 2.15 0.00 0.00 -1.72 0.00 0.00 55.73 56.16 2wh2 s ARG 128 Cb 0.00 -3.99 0.00 0.00 -0.45 0.00 0.00 34.95 30.51 2wh2 s ARG 128 CO 0.00 -0.89 0.21 0.41 -0.68 0.00 0.00 175.30 174.35 2wh2 n GLY 129 N 4.18 0.48 3.53 -3.53 0.00 -1.26 -4.61 105.19 103.98 2wh2 n GLY 129 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2wh2 n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wh2 s ASN 130 N 0.12 -0.32 0.08 1.61 0.01 -1.26 -4.12 114.94 111.06 2wh2 s ASN 130 Ca 0.00 0.08 0.08 0.00 -0.71 0.00 0.00 52.86 52.31 2wh2 s ASN 130 Cb 0.00 0.32 -0.03 0.00 0.41 0.00 0.00 41.25 41.95 2wh2 s ASN 130 CO 0.00 -0.49 -0.22 -0.47 -1.51 0.00 0.00 177.10 174.41 2wh2 s TYR 131 N -2.59 1.89 0.08 2.20 5.04 -1.21 -4.48 117.35 118.29 2wh2 s TYR 131 Ca 0.04 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2wh2 s TYR 131 Cb -0.01 -1.07 -0.04 0.00 0.35 0.00 0.00 41.96 41.19 2wh2 s TYR 131 CO -0.06 0.17 -0.06 -0.80 -1.34 0.00 0.00 175.55 173.46 2wh2 s ASN 132 N -1.60 0.98 0.30 4.32 0.01 -1.25 -1.83 114.94 115.87 2wh2 s ASN 132 Ca 0.08 -0.98 -0.18 0.00 -0.71 0.00 0.00 52.86 51.07 2wh2 s ASN 132 Cb -0.10 0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.70 2wh2 s ASN 132 CO 0.03 -0.48 0.67 -1.48 -1.51 0.00 0.00 177.10 174.33 2wh2 s LEU 133 N -2.94 -0.04 0.16 0.60 2.34 -0.82 -4.90 118.68 113.08 2wh2 s LEU 133 Ca 0.10 -0.81 0.04 0.00 0.06 0.00 0.00 54.13 53.51 2wh2 s LEU 133 Cb 0.05 2.50 -0.05 0.00 -0.56 0.00 0.00 46.19 48.13 2wh2 s LEU 133 CO -0.06 -1.37 -0.08 -0.83 -1.06 0.00 0.00 176.35 172.96 2wh2 s GLY 134 N -2.98 1.13 -0.24 -3.48 0.00 -1.26 -1.77 107.32 98.72 2wh2 s GLY 134 Ca 0.15 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 2wh2 s GLY 134 CO 0.09 -1.59 0.06 1.08 0.00 0.00 0.00 173.10 172.73 2wh2 s LEU 135 N -3.18 1.61 0.14 0.66 1.02 0.94 -4.98 118.68 114.89 2wh2 s LEU 135 Ca 0.19 -1.16 -0.26 0.00 0.02 0.00 0.00 54.13 52.92 2wh2 s LEU 135 Cb 0.03 -0.72 -0.01 0.00 0.02 0.00 0.00 46.19 45.51 2wh2 s LEU 135 CO 0.02 -0.35 1.61 0.03 0.02 0.00 0.00 176.35 177.68 2wh2 h ARG 136 N 8.18 -0.37 0.00 1.70 2.47 -1.96 -2.26 114.38 122.14 2wh2 h ARG 136 Ca -0.16 0.03 -0.20 0.00 -1.26 0.00 0.00 59.98 58.39 2wh2 h ARG 136 Cb 1.07 0.08 0.05 0.00 -1.65 0.00 0.00 29.97 29.53 2wh2 h ARG 136 CO 0.40 -0.25 0.09 0.39 0.56 0.00 0.00 179.97 181.16 2wh2 n GLU 137 N -5.41 0.02 0.00 0.04 1.02 -1.26 -2.21 120.64 112.84 2wh2 n GLU 137 Ca -0.03 -1.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 2wh2 n GLU 137 Cb 0.33 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 2wh2 n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh2 n GLN 138 N -1.96 0.00 0.02 3.49 10.64 -1.26 -4.53 117.38 123.78 2wh2 n GLN 138 Ca 0.07 0.00 0.22 0.00 -1.83 0.00 0.00 57.00 55.46 2wh2 n GLN 138 Cb 0.26 -0.45 0.62 0.00 -0.86 0.00 0.00 30.24 29.81 2wh2 n GLN 138 CO 0.00 0.00 0.00 1.37 -1.83 0.00 0.00 177.06 176.60 2wh2 h LEU 139 N 0.00 0.00 0.00 2.61 -0.00 -1.92 0.80 115.31 116.81 2wh2 h LEU 139 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wh2 h LEU 139 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2wh2 h LEU 139 CO 0.00 0.00 0.08 -0.38 -0.00 0.00 0.00 178.44 178.14 2wh2 n ILE 140 N -3.43 0.47 -3.78 0.15 5.41 -1.26 -4.50 119.36 112.42 2wh2 n ILE 140 Ca 0.12 0.20 -0.36 0.00 1.00 0.00 0.00 62.75 63.71 2wh2 n ILE 140 Cb 0.93 -1.20 -0.07 0.00 -0.71 0.00 0.00 39.64 38.58 2wh2 n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2wh2 s PHE 141 N -1.99 3.50 0.00 1.39 0.08 0.27 -3.48 117.98 117.75 2wh2 s PHE 141 Ca 0.00 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.50 2wh2 s PHE 141 Cb 0.00 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 2wh2 s PHE 141 CO 0.00 0.49 0.02 -2.30 -0.10 0.00 0.00 175.22 173.33 2wh2 n PRO 142 N 2.82 0.00 -0.21 0.24 -0.02 -1.26 -2.70 135.00 133.87 2wh2 n PRO 142 Ca -0.17 0.02 0.14 0.00 -2.02 0.00 0.00 63.50 61.47 2wh2 n PRO 142 Cb 0.53 -0.45 0.26 0.00 -0.02 0.00 0.00 33.50 33.83 2wh2 n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wh2 n GLU 143 N -0.05 -0.04 -2.43 -0.52 1.02 -1.26 -4.40 120.64 112.95 2wh2 n GLU 143 Ca 0.00 0.90 -0.42 0.00 -0.02 0.00 0.00 57.16 57.62 2wh2 n GLU 143 Cb 0.00 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 2wh2 n GLU 143 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2wh2 s ILE 144 N -5.25 3.96 0.00 -3.67 1.10 -1.10 -5.03 121.20 111.21 2wh2 s ILE 144 Ca -0.07 1.47 0.00 0.00 -0.51 0.00 0.00 60.65 61.54 2wh2 s ILE 144 Cb 0.20 -3.94 0.00 0.00 0.15 0.00 0.00 42.46 38.86 2wh2 s ILE 144 CO 0.48 0.15 0.00 0.35 -2.11 0.00 0.00 174.94 173.82 2wh2 n THR 145 N 3.50 0.00 -1.29 4.00 -2.24 -1.26 -4.75 114.28 112.24 2wh2 n THR 145 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2wh2 n THR 145 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2wh2 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh2 n TYR 146 N 0.00 0.00 -0.85 4.78 9.36 -1.26 -4.80 117.16 124.39 2wh2 n TYR 146 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wh2 n TYR 146 Cb 0.00 0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 2wh2 n TYR 146 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2wh2 n ASP 147 N 0.00 0.32 -2.46 2.98 5.68 -1.26 -4.83 116.55 116.99 2wh2 n ASP 147 Ca 0.00 -1.17 -0.28 0.00 -0.50 0.00 0.00 54.79 52.84 2wh2 n ASP 147 Cb 0.37 -0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.36 2wh2 n ASP 147 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 2wh2 n MET 148 N -0.08 3.38 -3.74 0.11 0.00 -1.26 -5.00 117.12 110.53 2wh2 n MET 148 Ca 0.00 -4.36 -0.12 0.00 0.00 0.00 0.00 57.70 53.22 2wh2 n MET 148 Cb 0.46 -2.26 -0.12 0.00 0.00 0.00 0.00 33.22 31.30 2wh2 n MET 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2wh2 s VAL 149 N -5.36 -0.03 -0.47 1.12 -7.23 -1.26 -4.86 120.40 102.30 2wh2 s VAL 149 Ca 0.49 0.11 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 2wh2 s VAL 149 Cb 0.41 -0.40 0.11 0.00 0.56 0.00 0.00 36.38 37.06 2wh2 s VAL 149 CO -0.18 0.04 0.36 1.51 -0.31 0.00 0.00 175.10 176.53 2wh2 s ASP 150 N 1.00 5.83 0.26 4.85 -4.77 -1.26 -4.91 116.67 117.67 2wh2 s ASP 150 Ca -0.07 -1.73 0.00 0.00 -3.30 0.00 0.00 52.55 47.45 2wh2 s ASP 150 Cb -0.08 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.69 2wh2 s ASP 150 CO -0.07 -0.69 0.00 0.00 0.70 0.00 0.00 175.17 175.12 2wh2 n ALA 151 N 5.01 -2.32 -1.66 2.11 0.00 -1.26 -4.82 120.51 117.56 2wh2 n ALA 151 Ca -0.10 0.32 -0.47 0.00 0.00 0.00 0.00 53.44 53.19 2wh2 n ALA 151 Cb 0.41 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 2wh2 n ALA 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh2 n LEU 152 N 0.11 2.95 -3.63 0.00 7.94 -1.26 -4.96 117.00 118.14 2wh2 n LEU 152 Ca 0.00 1.07 -0.28 0.00 -1.11 0.00 0.00 56.01 55.70 2wh2 n LEU 152 Cb 0.00 -1.39 -0.16 0.00 0.53 0.00 0.00 43.42 42.40 2wh2 n LEU 152 CO 0.00 -0.35 -0.34 -0.60 -1.11 0.00 0.00 177.39 174.99 2wh2 s ARG 153 N 1.28 0.33 0.00 1.96 3.52 -1.26 -5.08 118.95 119.69 2wh2 s ARG 153 Ca 0.81 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 2wh2 s ARG 153 Cb -0.72 -1.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2wh2 s ARG 153 CO 0.41 -0.81 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 2wh2 n GLY 154 N 5.16 0.10 0.00 8.12 0.00 -0.94 -4.42 105.19 113.21 2wh2 n GLY 154 Ca -0.06 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2wh2 n GLY 154 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2wh2 n MET 155 N 0.00 -2.19 -1.46 1.61 0.00 -0.85 -4.86 117.12 109.37 2wh2 n MET 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2wh2 n MET 155 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2wh2 n MET 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2wh2 n ASP 156 N 0.00 1.42 -3.64 3.17 8.00 0.67 -0.04 116.55 126.13 2wh2 n ASP 156 Ca 0.00 -0.85 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 2wh2 n ASP 156 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2wh2 n ASP 156 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wh2 s ILE 157 N -0.17 0.00 -0.23 0.53 -4.36 -0.73 -2.94 121.20 113.30 2wh2 s ILE 157 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.35 2wh2 s ILE 157 Cb 0.00 -1.00 0.08 0.00 1.25 0.00 0.00 42.46 42.79 2wh2 s ILE 157 CO 0.00 0.00 0.10 0.00 0.24 0.00 0.00 174.94 175.28 2wh2 s ALA 158 N 0.01 0.64 -0.29 2.27 0.00 -0.26 -1.95 121.76 122.17 2wh2 s ALA 158 Ca 0.04 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2wh2 s ALA 158 Cb -0.04 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2wh2 s ALA 158 CO -0.09 -1.42 1.64 0.54 0.00 0.00 0.00 175.76 176.44 2wh2 s VAL 159 N 2.06 3.66 -0.43 0.00 0.11 -0.76 -2.90 120.40 122.14 2wh2 s VAL 159 Ca 0.05 0.70 -0.16 0.00 -2.93 0.00 0.00 61.98 59.64 2wh2 s VAL 159 Cb -0.16 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 30.94 2wh2 s VAL 159 CO -0.22 -0.42 0.39 -0.69 -3.33 0.00 0.00 175.10 170.82 2wh2 s VAL 160 N 5.85 5.16 0.40 2.04 1.01 0.31 -3.32 120.40 131.86 2wh2 s VAL 160 Ca 0.73 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2wh2 s VAL 160 Cb -0.22 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2wh2 s VAL 160 CO 0.31 -0.42 0.39 -0.89 0.00 0.00 0.00 175.10 174.49 2wh2 s THR 161 N 1.92 2.93 -0.35 3.92 2.01 -1.26 -0.96 115.64 123.86 2wh2 s THR 161 Ca 0.08 -1.29 0.12 0.00 0.31 0.00 0.00 61.69 60.91 2wh2 s THR 161 Cb -0.19 -3.05 0.71 0.00 0.01 0.00 0.00 72.50 69.98 2wh2 s THR 161 CO 0.11 -0.04 1.60 0.35 -0.69 0.00 0.00 174.62 175.95 2wh2 n THR 162 N -1.55 2.44 -2.10 -0.82 -2.24 -0.42 -4.77 114.28 104.81 2wh2 n THR 162 Ca 0.03 -1.25 -0.41 0.00 -2.27 0.00 0.00 64.05 60.15 2wh2 n THR 162 Cb 0.61 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 2wh2 n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh2 s ALA 163 N -2.56 3.59 -0.09 6.98 0.00 -1.26 -4.71 121.76 123.70 2wh2 s ALA 163 Ca 0.48 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.72 2wh2 s ALA 163 Cb 0.37 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.72 2wh2 s ALA 163 CO 0.14 -0.65 0.47 -1.91 0.00 0.00 0.00 175.76 173.80 2wh2 n GLU 164 N 2.63 0.68 0.00 0.00 2.13 -1.26 -4.64 120.64 120.18 2wh2 n GLU 164 Ca 0.07 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2wh2 n GLU 164 Cb 0.41 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.40 2wh2 n GLU 164 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2wh2 n THR 165 N -3.17 0.00 0.00 6.31 -2.24 -1.26 -4.87 114.28 109.05 2wh2 n THR 165 Ca -0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2wh2 n THR 165 Cb 1.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2wh2 n THR 165 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wh2 n ASP 166 N 0.00 0.08 -0.33 3.42 4.64 -1.26 -4.21 116.55 118.88 2wh2 n ASP 166 Ca 0.00 0.00 0.10 0.00 -1.38 0.00 0.00 54.79 53.51 2wh2 n ASP 166 Cb 0.00 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.35 2wh2 n ASP 166 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 2wh2 h GLU 167 N 0.00 0.73 -0.79 -0.67 3.07 -1.97 0.37 114.58 115.32 2wh2 h GLU 167 Ca 0.00 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.88 2wh2 h GLU 167 Cb 0.54 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 2wh2 h GLU 167 CO 0.00 0.48 0.52 0.93 -1.40 0.00 0.00 179.01 179.54 2wh2 h GLU 168 N 0.75 0.84 0.05 2.33 5.08 -1.97 2.35 114.58 124.01 2wh2 h GLU 168 Ca 0.53 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2wh2 h GLU 168 Cb 0.75 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wh2 h GLU 168 CO -0.36 0.56 -0.02 0.00 -1.00 0.00 0.00 179.01 178.18 2wh2 h ALA 169 N 1.57 -0.07 0.35 3.43 0.00 -0.68 -1.88 119.26 121.99 2wh2 h ALA 169 Ca 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wh2 h ALA 169 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wh2 h ALA 169 CO -0.11 -0.24 -0.17 -0.09 0.00 0.00 0.00 179.25 178.64 2wh2 h ARG 170 N -0.66 -0.45 0.00 0.00 9.65 -0.07 -2.53 114.38 120.32 2wh2 h ARG 170 Ca -0.01 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2wh2 h ARG 170 Cb 0.57 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2wh2 h ARG 170 CO 0.01 -0.30 0.00 0.00 2.80 0.00 0.00 179.97 182.48 2wh2 n ALA 171 N -2.24 0.00 -0.26 2.80 0.00 0.79 -0.61 120.51 120.98 2wh2 n ALA 171 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2wh2 n ALA 171 Cb 0.18 0.39 0.09 0.00 0.00 0.00 0.00 19.45 20.11 2wh2 n ALA 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh2 n LEU 172 N -2.42 -0.28 0.00 0.00 7.94 -0.70 -2.78 117.00 118.75 2wh2 n LEU 172 Ca 0.00 1.24 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 2wh2 n LEU 172 Cb 0.00 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.58 2wh2 n LEU 172 CO 0.00 -1.19 0.24 0.18 -1.11 0.00 0.00 177.39 175.52 2wh2 n LEU 173 N -5.17 0.38 -0.39 -1.96 4.77 0.22 -3.81 117.00 111.04 2wh2 n LEU 173 Ca 0.11 0.64 0.33 0.00 -0.03 0.00 0.00 56.01 57.06 2wh2 n LEU 173 Cb 0.35 -0.35 0.56 0.00 -2.33 0.00 0.00 43.42 41.65 2wh2 n LEU 173 CO -0.09 -0.35 1.01 1.21 -1.33 0.00 0.00 177.39 177.84 2wh2 n GLU 174 N -1.55 -0.03 -0.45 3.23 2.13 -0.65 0.70 120.64 124.02 2wh2 n GLU 174 Ca 0.00 1.04 -0.01 0.00 0.66 0.00 0.00 57.16 58.84 2wh2 n GLU 174 Cb 0.00 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 29.67 2wh2 n GLU 174 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2wh2 n LEU 175 N -4.36 5.06 0.00 4.31 4.77 -1.12 -2.73 117.00 122.94 2wh2 n LEU 175 Ca 0.33 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2wh2 n LEU 175 Cb 1.29 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wh2 n LEU 175 CO 0.15 0.94 0.00 0.18 -1.33 0.00 0.00 177.39 177.33 2wh2 n LEU 176 N 1.24 0.00 0.00 2.23 4.77 0.22 -4.86 117.00 120.60 2wh2 n LEU 176 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2wh2 n LEU 176 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2wh2 n LEU 176 CO 0.03 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2wh2 n GLY 177 N 0.00 0.91 3.15 -0.72 0.00 -1.10 -5.04 105.19 102.38 2wh2 n GLY 177 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wh2 n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wh2 s PHE 178 N -1.02 3.59 -0.74 1.61 0.08 -1.15 -4.66 117.98 115.69 2wh2 s PHE 178 Ca 0.00 -2.64 -0.16 0.00 0.12 0.00 0.00 56.93 54.25 2wh2 s PHE 178 Cb 0.00 -3.35 -0.18 0.00 -0.57 0.00 0.00 43.02 38.92 2wh2 s PHE 178 CO 0.00 -0.85 1.95 -2.30 -0.10 0.00 0.00 175.22 173.92 2wh2 n PRO 179 N 3.32 0.18 -3.26 0.24 -0.02 -1.26 -4.71 135.00 129.48 2wh2 n PRO 179 Ca 0.12 -0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 60.53 2wh2 n PRO 179 Cb 0.39 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 2wh2 n PRO 179 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wh2 s PHE 180 N 8.70 3.57 0.41 6.00 2.99 -1.26 0.54 117.98 138.93 2wh2 s PHE 180 Ca 0.78 1.02 0.39 0.00 0.00 0.00 0.00 56.93 59.13 2wh2 s PHE 180 Cb -0.25 -2.59 2.02 0.00 0.00 0.00 0.00 43.02 42.20 2wh2 s PHE 180 CO 0.21 0.22 2.19 -0.09 -0.00 0.00 0.00 175.22 177.75 2wh2 h ARG 181 N 6.37 0.00 0.00 0.44 2.43 -1.76 -3.43 114.38 118.43 2wh2 h ARG 181 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2wh2 h ARG 181 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2wh2 h ARG 181 CO 0.73 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 180.36