#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s ARG 3 N 0.00 2.95 -1.20 0.54 3.52 -1.26 -5.02 118.95 118.49 2wh2 s ARG 3 Ca 0.00 -1.02 -0.14 0.00 -0.13 0.00 0.00 55.73 54.44 2wh2 s ARG 3 Cb 0.00 -3.93 0.17 0.00 -1.56 0.00 0.00 34.95 29.63 2wh2 s ARG 3 CO 0.00 -0.73 1.42 0.00 -0.81 0.00 0.00 175.30 175.18 2wh2 s ALA 4 N 1.66 3.99 0.85 6.12 0.00 -1.26 -5.01 121.76 128.11 2wh2 s ALA 4 Ca 0.04 -3.35 -0.10 0.00 0.00 0.00 0.00 51.96 48.55 2wh2 s ALA 4 Cb -0.19 -4.12 0.10 0.00 0.00 0.00 0.00 23.12 18.92 2wh2 s ALA 4 CO 0.09 -2.77 1.12 -1.59 0.00 0.00 0.00 175.76 172.61 2wh2 s LYS 5 N 1.58 1.60 0.08 0.00 -2.85 -1.26 -4.94 119.74 113.96 2wh2 s LYS 5 Ca 0.42 1.35 -0.33 0.00 -1.00 0.00 0.00 55.97 56.41 2wh2 s LYS 5 Cb -0.03 -1.81 -0.16 0.00 -2.06 0.00 0.00 37.83 33.77 2wh2 s LYS 5 CO -0.00 -2.16 1.52 1.15 0.10 0.00 0.00 175.35 175.95 2wh2 h THR 6 N -1.52 0.00 0.00 3.79 2.02 -2.05 -3.46 112.91 111.69 2wh2 h THR 6 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2wh2 h THR 6 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2wh2 h THR 6 CO 0.46 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.96 2wh2 n GLY 7 N -1.52 2.63 0.47 2.16 0.00 -1.26 -3.79 105.19 103.89 2wh2 n GLY 7 Ca -0.11 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2wh2 n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wh2 h VAL 8 N 0.00 0.11 0.00 1.61 2.07 -2.04 -3.41 116.25 114.60 2wh2 h VAL 8 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wh2 h VAL 8 Cb 0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2wh2 h VAL 8 CO 0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 2wh2 n VAL 9 N -5.59 0.00 -0.26 2.57 0.31 -1.25 -2.06 118.33 112.05 2wh2 n VAL 9 Ca -0.16 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 2wh2 n VAL 9 Cb 0.47 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.52 2wh2 n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wh2 h ARG 10 N 0.00 0.04 -0.64 5.55 2.43 -1.84 -1.05 114.38 118.87 2wh2 h ARG 10 Ca 0.00 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2wh2 h ARG 10 Cb 0.00 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 2wh2 h ARG 10 CO 0.00 0.02 0.22 -0.09 -1.51 0.00 0.00 179.97 178.62 2wh2 h ARG 11 N 0.04 0.38 0.54 0.20 2.43 -1.68 -0.80 114.38 115.49 2wh2 h ARG 11 Ca 0.38 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 2wh2 h ARG 11 Cb 0.62 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2wh2 h ARG 11 CO -0.72 0.25 -0.38 0.00 -1.51 0.00 0.00 179.97 177.61 2wh2 h ARG 12 N 0.39 -0.86 -1.15 0.20 3.08 -1.23 0.02 114.38 114.84 2wh2 h ARG 12 Ca 0.33 0.06 0.32 0.00 0.07 0.00 0.00 59.98 60.76 2wh2 h ARG 12 Cb 0.44 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 2wh2 h ARG 12 CO -0.34 -0.57 0.79 0.87 -1.07 0.00 0.00 179.97 179.64 2wh2 h LYS 13 N -0.89 0.16 -0.01 0.04 1.79 -0.62 -0.24 116.57 116.80 2wh2 h LYS 13 Ca -0.06 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 2wh2 h LYS 13 Cb 0.74 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2wh2 h LYS 13 CO 0.03 0.10 -0.25 0.45 -1.08 0.00 0.00 179.45 178.71 2wh2 h HIS 14 N 0.16 0.28 -0.92 -1.35 3.86 -0.26 -3.23 115.15 113.69 2wh2 h HIS 14 Ca 0.60 -0.14 0.10 0.00 -1.16 0.00 0.00 60.37 59.76 2wh2 h HIS 14 Cb 2.01 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 30.38 2wh2 h HIS 14 CO -0.00 0.92 0.59 0.87 0.86 0.00 0.00 177.93 181.17 2wh2 h LYS 15 N -0.44 0.91 -0.39 2.45 1.57 0.72 -2.44 116.57 118.95 2wh2 h LYS 15 Ca -0.03 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2wh2 h LYS 15 Cb 0.98 -0.21 -0.09 0.00 0.08 0.00 0.00 32.23 32.99 2wh2 h LYS 15 CO 0.05 0.60 -0.46 0.87 -0.57 0.00 0.00 179.45 179.95 2wh2 h LYS 16 N 0.94 -0.34 0.91 3.15 1.57 -1.34 0.12 116.57 121.57 2wh2 h LYS 16 Ca 0.43 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 2wh2 h LYS 16 Cb 0.39 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.79 2wh2 h LYS 16 CO -0.19 -0.23 -0.44 0.82 -0.57 0.00 0.00 179.45 178.85 2wh2 h ILE 17 N -0.36 0.00 -1.06 1.86 1.08 -1.53 -2.73 117.51 114.77 2wh2 h ILE 17 Ca 0.12 -0.04 0.31 0.00 -0.39 0.00 0.00 64.86 64.86 2wh2 h ILE 17 Cb 0.59 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.30 2wh2 h ILE 17 CO -0.57 0.00 0.89 -0.07 -0.69 0.00 0.00 178.15 177.72 2wh2 h LEU 18 N -1.26 0.00 -0.84 1.44 3.38 -1.14 2.45 115.31 119.35 2wh2 h LEU 18 Ca -0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2wh2 h LEU 18 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2wh2 h LEU 18 CO 0.20 0.00 -0.28 0.11 0.09 0.00 0.00 178.44 178.56 2wh2 h LYS 19 N 0.00 0.00 0.01 1.13 1.57 -0.46 -2.95 116.57 115.87 2wh2 h LYS 19 Ca 0.51 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 59.00 2wh2 h LYS 19 Cb 2.29 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.55 2wh2 h LYS 19 CO -0.01 0.28 -1.61 -0.07 -0.57 0.00 0.00 179.45 177.48 2wh2 h LEU 20 N 0.00 0.04 0.00 2.94 -0.00 0.42 -3.29 115.31 115.41 2wh2 h LEU 20 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2wh2 h LEU 20 Cb 0.90 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 2wh2 h LEU 20 CO 0.04 1.07 0.00 0.00 -0.00 0.00 0.00 178.44 179.54 2wh2 n ALA 21 N -2.55 2.18 -1.58 1.53 0.00 0.37 -4.85 120.51 115.61 2wh2 n ALA 21 Ca -0.15 -0.11 -0.51 0.00 0.00 0.00 0.00 53.44 52.67 2wh2 n ALA 21 Cb 1.03 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 2wh2 n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh2 n LYS 22 N -0.98 1.10 0.00 0.00 4.76 -1.17 -2.34 118.16 119.53 2wh2 n LYS 22 Ca 0.13 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2wh2 n LYS 22 Cb 0.06 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 2wh2 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh2 n GLY 23 N 2.31 3.08 3.41 0.72 0.00 -1.26 -5.06 105.19 108.39 2wh2 n GLY 23 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2wh2 n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wh2 n TYR 24 N -0.67 -1.10 0.00 1.61 0.53 -0.99 -5.03 117.16 111.52 2wh2 n TYR 24 Ca 0.00 0.13 0.00 0.00 -1.02 0.00 0.00 57.90 57.01 2wh2 n TYR 24 Cb 0.00 -1.71 0.00 0.00 -1.03 0.00 0.00 39.34 36.60 2wh2 n TYR 24 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 2wh2 n TRP 25 N -4.30 0.00 0.00 -0.72 -0.00 -1.26 -4.52 117.44 106.63 2wh2 n TRP 25 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 2wh2 n TRP 25 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 2wh2 n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2wh2 n GLY 26 N 0.41 0.57 0.00 5.87 0.00 -1.26 -4.56 105.19 106.22 2wh2 n GLY 26 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.04 2wh2 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh2 n LEU 27 N 0.00 0.00 0.16 0.99 4.77 -1.26 -2.18 117.00 119.48 2wh2 n LEU 27 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2wh2 n LEU 27 Cb 0.00 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.68 2wh2 n LEU 27 CO 0.00 0.00 0.85 0.03 -1.33 0.00 0.00 177.39 176.94 2wh2 h ARG 28 N 0.00 0.00 0.00 3.23 3.08 -1.88 0.79 114.38 119.60 2wh2 h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh2 h ARG 28 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wh2 h ARG 28 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2wh2 n SER 29 N -2.29 0.35 -0.07 7.04 3.41 -0.93 -3.61 113.62 117.52 2wh2 n SER 29 Ca -0.01 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 2wh2 n SER 29 Cb 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 2wh2 n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wh2 n LYS 30 N -0.01 0.57 -2.50 4.33 4.76 -0.94 -4.81 118.16 119.56 2wh2 n LYS 30 Ca 0.00 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 2wh2 n LYS 30 Cb 0.19 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 2wh2 n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wh2 s SER 31 N -5.29 6.73 0.00 4.39 0.15 0.23 -4.88 113.70 115.03 2wh2 s SER 31 Ca -0.18 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2wh2 s SER 31 Cb 0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2wh2 s SER 31 CO 0.35 -1.06 0.00 2.22 1.20 0.00 0.00 173.24 175.95 2wh2 n PHE 32 N 7.48 0.00 0.00 3.44 -1.74 -1.26 -1.06 117.46 124.32 2wh2 n PHE 32 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.03 2wh2 n PHE 32 Cb 0.47 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.47 2wh2 n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wh2 n ARG 33 N -0.16 0.00 -0.16 3.97 1.85 -1.26 -4.49 116.66 116.41 2wh2 n ARG 33 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 2wh2 n ARG 33 Cb 0.00 -0.30 0.28 0.00 -1.05 0.00 0.00 32.46 31.39 2wh2 n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2wh2 h LYS 34 N 0.00 0.87 0.21 2.89 1.79 -1.65 -1.49 116.57 119.19 2wh2 h LYS 34 Ca 0.00 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2wh2 h LYS 34 Cb 0.00 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.43 2wh2 h LYS 34 CO 0.00 0.60 -0.33 0.00 -1.08 0.00 0.00 179.45 178.65 2wh2 h ALA 35 N 1.55 -0.62 -0.53 3.86 0.00 -1.16 -1.65 119.26 120.71 2wh2 h ALA 35 Ca 0.24 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2wh2 h ALA 35 Cb -0.05 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2wh2 h ALA 35 CO -0.05 -0.90 -0.25 -0.09 0.00 0.00 0.00 179.25 177.97 2wh2 h ARG 36 N -0.61 -0.12 -0.18 0.00 2.43 -1.52 -1.87 114.38 112.51 2wh2 h ARG 36 Ca 0.01 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2wh2 h ARG 36 Cb 0.60 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2wh2 h ARG 36 CO -0.13 -0.08 -0.23 0.93 -1.51 0.00 0.00 179.97 178.95 2wh2 h GLU 37 N -0.12 -0.25 -0.81 0.20 5.08 -0.94 -2.04 114.58 115.70 2wh2 h GLU 37 Ca 0.24 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.76 2wh2 h GLU 37 Cb 0.50 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 2wh2 h GLU 37 CO -0.61 -0.17 0.38 1.15 -1.00 0.00 0.00 179.01 178.77 2wh2 h THR 38 N -0.26 0.70 -0.10 1.13 2.02 -0.53 -1.16 112.91 114.71 2wh2 h THR 38 Ca 0.12 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2wh2 h THR 38 Cb 0.44 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2wh2 h THR 38 CO -0.34 0.10 -0.04 -0.07 0.37 0.00 0.00 175.52 175.54 2wh2 h LEU 39 N 0.55 0.13 0.65 2.58 3.38 -0.78 -0.73 115.31 121.09 2wh2 h LEU 39 Ca 0.44 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 2wh2 h LEU 39 Cb 0.65 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2wh2 h LEU 39 CO -0.38 0.20 -0.42 -0.26 0.09 0.00 0.00 178.44 177.67 2wh2 h PHE 40 N 0.14 -1.12 0.15 1.13 0.05 -0.87 0.74 116.94 117.17 2wh2 h PHE 40 Ca 0.03 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.82 2wh2 h PHE 40 Cb 0.18 0.40 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 2wh2 h PHE 40 CO 0.00 -0.63 -0.13 0.00 -0.18 0.00 0.00 178.31 177.37 2wh2 h ALA 41 N -0.78 -0.28 -0.74 2.45 0.00 -1.52 -1.16 119.26 117.23 2wh2 h ALA 41 Ca -0.08 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.92 2wh2 h ALA 41 Cb 0.83 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 2wh2 h ALA 41 CO 0.07 -0.67 -0.27 0.00 0.00 0.00 0.00 179.25 178.38 2wh2 h ALA 42 N 0.52 0.28 0.11 0.00 0.00 -0.92 0.89 119.26 120.14 2wh2 h ALA 42 Ca -0.00 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2wh2 h ALA 42 Cb 0.28 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2wh2 h ALA 42 CO -0.02 -0.52 -0.41 0.78 0.00 0.00 0.00 179.25 179.07 2wh2 h GLY 43 N -0.06 -0.83 1.01 0.00 0.00 0.13 -1.84 103.07 101.48 2wh2 h GLY 43 Ca 0.32 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2wh2 h GLY 43 CO -0.78 -0.27 0.53 3.43 0.00 0.00 0.00 176.54 179.45 2wh2 h ASN 44 N -0.64 0.95 0.15 0.19 2.35 0.33 -2.17 115.58 116.74 2wh2 h ASN 44 Ca 0.02 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2wh2 h ASN 44 Cb 0.67 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 2wh2 h ASN 44 CO -0.25 0.70 -0.32 1.88 -1.65 0.00 0.00 177.43 177.80 2wh2 h TYR 45 N 1.12 -0.87 -0.13 1.19 0.99 0.11 0.23 116.97 119.60 2wh2 h TYR 45 Ca 0.30 0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.06 2wh2 h TYR 45 Cb -0.11 0.36 -0.01 0.00 1.00 0.00 0.00 36.73 37.98 2wh2 h TYR 45 CO -0.01 -0.43 0.09 0.00 -0.00 0.00 0.00 178.16 177.81 2wh2 h ALA 46 N 0.07 2.00 -0.02 3.88 0.00 -1.23 1.26 119.26 125.23 2wh2 h ALA 46 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wh2 h ALA 46 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wh2 h ALA 46 CO -0.17 -0.02 -0.02 -0.92 0.00 0.00 0.00 179.25 178.13 2wh2 h TYR 47 N 0.10 0.05 -0.01 0.00 3.20 -0.62 -0.80 116.97 118.89 2wh2 h TYR 47 Ca 0.05 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wh2 h TYR 47 Cb 0.09 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 2wh2 h TYR 47 CO -0.00 0.52 -0.01 0.00 -1.64 0.00 0.00 178.16 177.03 2wh2 h ALA 48 N 0.52 0.01 0.00 1.82 0.00 -0.51 -2.93 119.26 118.16 2wh2 h ALA 48 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wh2 h ALA 48 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wh2 h ALA 48 CO 0.00 -0.23 -0.00 0.45 0.00 0.00 0.00 179.25 179.47 2wh2 h HIS 49 N -0.47 0.00 0.32 0.00 3.86 0.15 0.10 115.15 119.12 2wh2 h HIS 49 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2wh2 h HIS 49 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2wh2 h HIS 49 CO 0.10 0.00 -0.16 -0.09 0.86 0.00 0.00 177.93 178.64 2wh2 h ARG 50 N 0.00 -0.42 -0.06 2.45 2.43 -1.03 -0.96 114.38 116.79 2wh2 h ARG 50 Ca -0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2wh2 h ARG 50 Cb 0.03 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2wh2 h ARG 50 CO 0.00 -0.11 0.16 0.87 -1.51 0.00 0.00 179.97 179.37 2wh2 h LYS 51 N -0.98 0.00 0.43 0.20 1.57 -1.06 -2.31 116.57 114.43 2wh2 h LYS 51 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2wh2 h LYS 51 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wh2 h LYS 51 CO 0.07 0.00 -0.21 0.00 -0.57 0.00 0.00 179.45 178.75 2wh2 h ARG 52 N 0.00 -0.56 -0.87 3.15 2.47 -0.54 -3.33 114.38 114.70 2wh2 h ARG 52 Ca 0.03 0.04 0.22 0.00 -1.26 0.00 0.00 59.98 59.01 2wh2 h ARG 52 Cb 0.34 0.13 -0.16 0.00 -1.65 0.00 0.00 29.97 28.62 2wh2 h ARG 52 CO -0.00 -0.37 -0.05 -2.13 0.56 0.00 0.00 179.97 177.98 2wh2 n ARG 53 N -4.68 -0.07 -0.30 0.04 0.63 -0.39 0.38 116.66 112.27 2wh2 n ARG 53 Ca -0.07 1.32 0.11 0.00 -0.92 0.00 0.00 57.85 58.29 2wh2 n ARG 53 Cb 0.23 -2.07 0.24 0.00 0.45 0.00 0.00 32.46 31.31 2wh2 n ARG 53 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2wh2 h LYS 54 N 0.00 0.08 -0.00 -0.14 1.79 -1.67 0.57 116.57 117.20 2wh2 h LYS 54 Ca 0.50 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 2wh2 h LYS 54 Cb 0.97 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2wh2 h LYS 54 CO -0.84 0.06 -0.40 2.89 -1.08 0.00 0.00 179.45 180.07 2wh2 n ARG 55 N -5.38 0.51 0.17 3.15 1.85 0.16 -2.55 116.66 114.57 2wh2 n ARG 55 Ca 0.19 -0.32 0.05 0.00 -1.00 0.00 0.00 57.85 56.77 2wh2 n ARG 55 Cb 0.63 -1.49 0.13 0.00 -1.05 0.00 0.00 32.46 30.68 2wh2 n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wh2 h ASP 56 N 0.78 0.00 0.06 2.89 3.32 -0.21 -3.12 116.42 120.14 2wh2 h ASP 56 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 2wh2 h ASP 56 Cb 0.52 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 2wh2 h ASP 56 CO 0.00 0.38 -2.20 0.49 -1.72 0.00 0.00 179.24 176.19 2wh2 n PHE 57 N -3.24 0.65 -0.39 4.55 0.99 -1.03 -2.11 117.46 116.87 2wh2 n PHE 57 Ca 0.02 0.15 0.35 0.00 -0.00 0.00 0.00 57.45 57.97 2wh2 n PHE 57 Cb 0.65 -1.08 0.62 0.00 -1.00 0.00 0.00 39.48 38.66 2wh2 n PHE 57 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2wh2 n ARG 58 N -3.46 -0.05 0.00 -1.08 1.74 -1.06 -1.20 116.66 111.56 2wh2 n ARG 58 Ca -0.39 1.27 -0.01 0.00 -0.77 0.00 0.00 57.85 57.95 2wh2 n ARG 58 Cb 1.00 -2.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2wh2 n ARG 58 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2wh2 h ARG 59 N 0.00 -0.06 -1.01 5.56 2.43 -1.63 -3.15 114.38 116.52 2wh2 h ARG 59 Ca 0.84 0.00 0.41 0.00 -0.81 0.00 0.00 59.98 60.43 2wh2 h ARG 59 Cb 2.50 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 31.89 2wh2 h ARG 59 CO -0.59 -0.04 0.56 -0.11 -1.51 0.00 0.00 179.97 178.29 2wh2 n LEU 60 N -3.39 0.32 0.08 3.80 -0.00 -0.45 -0.62 117.00 116.73 2wh2 n LEU 60 Ca -0.01 1.55 -0.03 0.00 -0.00 0.00 0.00 56.01 57.52 2wh2 n LEU 60 Cb 0.02 -0.76 -0.01 0.00 -0.00 0.00 0.00 43.42 42.67 2wh2 n LEU 60 CO 0.02 -1.73 0.38 -0.50 -0.00 0.00 0.00 177.39 175.55 2wh2 h TRP 61 N 0.00 -0.19 -0.48 1.96 6.55 -1.30 -2.86 115.95 119.63 2wh2 h TRP 61 Ca 0.82 -0.00 0.07 0.00 0.95 0.00 0.00 58.89 60.73 2wh2 h TRP 61 Cb 2.24 0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 30.52 2wh2 h TRP 61 CO -0.01 -0.12 -0.19 -0.89 -1.05 0.00 0.00 178.44 176.18 2wh2 n ILE 62 N -2.69 -0.26 0.18 1.49 2.08 0.21 0.14 119.36 120.51 2wh2 n ILE 62 Ca -0.03 1.13 -0.15 0.00 0.56 0.00 0.00 62.75 64.27 2wh2 n ILE 62 Cb 0.08 -1.50 -0.07 0.00 -0.75 0.00 0.00 39.64 37.40 2wh2 n ILE 62 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2wh2 h VAL 63 N 0.00 0.24 -0.12 1.39 2.07 -1.47 0.19 116.25 118.55 2wh2 h VAL 63 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2wh2 h VAL 63 Cb 0.29 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 2wh2 h VAL 63 CO -0.48 0.00 -0.40 0.03 0.02 0.00 0.00 177.57 176.74 2wh2 h ARG 64 N -0.69 -0.47 0.00 1.57 -0.00 0.15 0.40 114.38 115.34 2wh2 h ARG 64 Ca -0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2wh2 h ARG 64 Cb 0.66 0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.74 2wh2 h ARG 64 CO -0.13 -0.31 0.00 -0.89 0.00 0.00 0.00 179.97 178.64 2wh2 n ILE 65 N -5.43 0.00 -0.27 2.04 5.41 0.04 -0.86 119.36 120.28 2wh2 n ILE 65 Ca -0.04 1.41 -0.07 0.00 1.00 0.00 0.00 62.75 65.05 2wh2 n ILE 65 Cb 0.36 -2.06 -0.06 0.00 -0.71 0.00 0.00 39.64 37.16 2wh2 n ILE 65 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2wh2 n ASN 66 N -2.37 -0.68 -0.19 4.38 5.15 0.62 -0.55 115.26 121.62 2wh2 n ASN 66 Ca 0.00 1.29 -0.02 0.00 -0.60 0.00 0.00 54.58 55.25 2wh2 n ASN 66 Cb 0.00 -0.22 0.05 0.00 -0.53 0.00 0.00 39.78 39.07 2wh2 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wh2 h ALA 67 N 0.17 0.32 -0.28 5.20 0.00 -0.59 0.95 119.26 125.03 2wh2 h ALA 67 Ca 0.10 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2wh2 h ALA 67 Cb 0.26 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wh2 h ALA 67 CO -0.60 -0.47 0.10 0.00 0.00 0.00 0.00 179.25 178.28 2wh2 h ALA 68 N 1.49 0.36 -0.00 0.00 0.00 0.12 -2.90 119.26 118.33 2wh2 h ALA 68 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wh2 h ALA 68 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wh2 h ALA 68 CO -0.62 -0.02 -0.17 0.00 0.00 0.00 0.00 179.25 178.44 2wh2 h ARG 70 N 0.59 0.00 -0.45 0.00 2.43 0.11 -2.74 114.38 114.32 2wh2 h ARG 70 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wh2 h ARG 70 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wh2 h ARG 70 CO 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 179.97 178.53 2wh2 n GLN 71 N -3.14 2.11 -0.63 0.20 10.64 -1.09 -3.68 117.38 121.78 2wh2 n GLN 71 Ca 0.02 -1.71 0.06 0.00 -1.83 0.00 0.00 57.00 53.54 2wh2 n GLN 71 Cb 0.45 -1.39 0.20 0.00 -0.86 0.00 0.00 30.24 28.65 2wh2 n GLN 71 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2wh2 n HIS 72 N 0.90 0.00 0.00 2.61 8.25 -1.03 -5.01 115.22 120.94 2wh2 n HIS 72 Ca 0.16 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 2wh2 n HIS 72 Cb 0.41 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2wh2 n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh2 n GLY 73 N -1.06 1.93 2.54 -1.41 0.00 -1.24 -5.02 105.19 100.92 2wh2 n GLY 73 Ca 0.19 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 2wh2 n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wh2 n LEU 74 N 0.00 0.00 -4.80 0.99 -0.00 -1.24 -4.93 117.00 107.02 2wh2 n LEU 74 Ca 0.00 -1.02 -0.28 0.00 -0.00 0.00 0.00 56.01 54.71 2wh2 n LEU 74 Cb 0.00 -0.64 -0.05 0.00 -0.00 0.00 0.00 43.42 42.73 2wh2 n LEU 74 CO 0.00 -1.08 -0.12 0.54 -0.00 0.00 0.00 177.39 176.73 2wh2 s ASN 75 N -4.13 4.39 0.07 1.45 4.22 -1.26 -3.06 114.94 116.62 2wh2 s ASN 75 Ca 0.49 -1.32 -0.35 0.00 -2.14 0.00 0.00 52.86 49.54 2wh2 s ASN 75 Cb -0.01 0.13 -0.18 0.00 1.28 0.00 0.00 41.25 42.47 2wh2 s ASN 75 CO 0.34 -0.83 1.53 0.22 -2.04 0.00 0.00 177.10 176.33 2wh2 h TYR 76 N 1.18 -1.28 -0.95 1.54 3.20 -1.90 -1.76 116.97 117.01 2wh2 h TYR 76 Ca -0.41 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 61.60 2wh2 h TYR 76 Cb 1.29 0.46 -0.15 0.00 1.54 0.00 0.00 36.73 39.87 2wh2 h TYR 76 CO 1.02 -0.69 -0.36 0.43 -1.64 0.00 0.00 178.16 176.92 2wh2 n SER 77 N -5.43 -0.59 0.32 -2.11 7.64 -1.26 -1.49 113.62 110.70 2wh2 n SER 77 Ca -0.14 1.65 -0.12 0.00 1.01 0.00 0.00 58.87 61.27 2wh2 n SER 77 Cb 0.47 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 2wh2 n SER 77 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2wh2 h THR 78 N 0.00 0.00 0.00 0.44 2.02 -1.96 -2.99 112.91 110.42 2wh2 h THR 78 Ca 0.34 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.46 2wh2 h THR 78 Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2wh2 h THR 78 CO -0.94 0.00 0.00 0.33 0.37 0.00 0.00 175.52 175.28 2wh2 n PHE 79 N -4.35 0.00 -0.33 3.16 -0.00 -0.64 0.25 117.46 115.55 2wh2 n PHE 79 Ca -0.10 0.00 0.30 0.00 -0.00 0.00 0.00 57.45 57.65 2wh2 n PHE 79 Cb 0.32 -0.25 0.56 0.00 -0.00 0.00 0.00 39.48 40.11 2wh2 n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2wh2 h ILE 80 N 0.00 0.10 0.06 -2.13 1.08 -1.38 0.49 117.51 115.73 2wh2 h ILE 80 Ca 0.00 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2wh2 h ILE 80 Cb 0.00 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 2wh2 h ILE 80 CO 0.00 0.02 -0.03 -0.74 -0.69 0.00 0.00 178.15 176.71 2wh2 h HIS 81 N 0.11 -0.08 -0.17 1.37 2.76 -0.05 0.33 115.15 119.42 2wh2 h HIS 81 Ca 0.81 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.99 2wh2 h HIS 81 Cb 2.09 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 31.06 2wh2 h HIS 81 CO -0.01 0.47 0.08 0.78 -1.30 0.00 0.00 177.93 177.96 2wh2 h GLY 82 N -0.70 0.22 -0.09 5.26 0.00 0.82 3.98 103.07 112.56 2wh2 h GLY 82 Ca -0.01 -0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.35 2wh2 h GLY 82 CO 0.01 0.05 -0.23 -2.00 0.00 0.00 0.00 176.54 174.38 2wh2 h LEU 83 N 0.18 -0.78 0.16 3.11 5.85 -0.15 -0.68 115.31 123.00 2wh2 h LEU 83 Ca 0.07 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2wh2 h LEU 83 Cb 0.01 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2wh2 h LEU 83 CO -0.05 -0.25 -0.08 0.50 -0.34 0.00 0.00 178.44 178.22 2wh2 h LYS 84 N -0.14 -0.21 -1.05 1.25 1.63 0.88 -2.51 116.57 116.43 2wh2 h LYS 84 Ca 0.21 0.01 0.34 0.00 -0.85 0.00 0.00 60.65 60.36 2wh2 h LYS 84 Cb 0.47 0.05 -0.14 0.00 -0.60 0.00 0.00 32.23 32.00 2wh2 h LYS 84 CO -0.52 0.14 0.62 -0.22 -3.45 0.00 0.00 179.45 176.01 2wh2 h LYS 85 N -0.58 0.28 0.00 1.90 1.63 0.80 -2.57 116.57 118.04 2wh2 h LYS 85 Ca -0.02 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2wh2 h LYS 85 Cb 0.44 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2wh2 h LYS 85 CO 0.04 0.18 0.00 0.00 -3.45 0.00 0.00 179.45 176.22 2wh2 n ALA 86 N -2.33 0.00 0.00 5.00 0.00 -0.30 -5.05 120.51 117.82 2wh2 n ALA 86 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2wh2 n ALA 86 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2wh2 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh2 n GLY 87 N 1.06 -0.51 2.73 0.00 0.00 -0.95 -5.11 105.19 102.41 2wh2 n GLY 87 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 2wh2 n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wh2 s ILE 88 N 0.00 -0.34 -1.71 -0.61 -4.36 -1.26 -4.98 121.20 107.94 2wh2 s ILE 88 Ca 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 2wh2 s ILE 88 Cb 0.00 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.85 2wh2 s ILE 88 CO 0.00 -0.39 0.58 -0.62 0.24 0.00 0.00 174.94 174.75 2wh2 n GLU 89 N 5.31 0.00 -0.45 0.37 -0.58 -1.26 -4.70 120.64 119.33 2wh2 n GLU 89 Ca -0.04 0.10 -0.16 0.00 -0.42 0.00 0.00 57.16 56.64 2wh2 n GLU 89 Cb 0.47 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.99 2wh2 n GLU 89 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wh2 n VAL 90 N -1.08 0.00 0.00 2.62 0.31 -1.26 -3.05 118.33 115.87 2wh2 n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh2 n VAL 90 Cb 0.00 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2wh2 n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wh2 n ASP 91 N -1.82 0.00 -3.55 4.52 4.64 -1.26 -4.52 116.55 114.56 2wh2 n ASP 91 Ca 0.07 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.22 2wh2 n ASP 91 Cb 0.32 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.41 2wh2 n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wh2 n ARG 92 N 0.00 -1.49 0.00 -0.67 0.63 -1.17 1.00 116.66 114.96 2wh2 n ARG 92 Ca 0.00 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 2wh2 n ARG 92 Cb 0.00 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 30.99 2wh2 n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wh2 n LYS 93 N -1.77 0.00 -0.32 -0.14 4.01 -1.26 -0.66 118.16 118.02 2wh2 n LYS 93 Ca -0.23 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 57.74 2wh2 n LYS 93 Cb 0.63 0.00 0.37 0.00 -0.51 0.00 0.00 35.03 35.51 2wh2 n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wh2 h ASN 94 N 0.00 0.11 -0.04 4.39 -1.24 -1.94 0.19 115.58 117.06 2wh2 h ASN 94 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2wh2 h ASN 94 Cb 0.00 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2wh2 h ASN 94 CO 0.00 -0.20 0.00 0.18 -1.29 0.00 0.00 177.43 176.12 2wh2 n LEU 95 N -5.21 0.39 -2.90 0.34 4.77 0.28 -3.82 117.00 110.85 2wh2 n LEU 95 Ca 0.26 -0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 2wh2 n LEU 95 Cb 0.83 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 2wh2 n LEU 95 CO 0.05 0.08 1.90 0.00 -1.33 0.00 0.00 177.39 178.09 2wh2 n ALA 96 N -0.55 6.59 0.58 -1.18 0.00 0.67 -2.39 120.51 124.24 2wh2 n ALA 96 Ca 0.15 -3.49 0.08 0.00 0.00 0.00 0.00 53.44 50.18 2wh2 n ALA 96 Cb 0.13 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.09 2wh2 n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh2 n ASP 97 N 1.18 0.86 -0.22 0.00 5.75 -1.25 -3.81 116.55 119.07 2wh2 n ASP 97 Ca 0.54 -0.67 0.09 0.00 -0.01 0.00 0.00 54.79 54.74 2wh2 n ASP 97 Cb 0.43 1.18 0.37 0.00 -1.03 0.00 0.00 41.12 42.06 2wh2 n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wh2 h LEU 98 N 0.00 0.65 -1.94 -2.12 3.38 -1.57 1.10 115.31 114.80 2wh2 h LEU 98 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2wh2 h LEU 98 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2wh2 h LEU 98 CO 0.00 0.39 0.45 0.00 0.09 0.00 0.00 178.44 179.37 2wh2 h ALA 99 N 1.60 2.03 0.00 1.53 0.00 -1.83 -2.91 119.26 119.68 2wh2 h ALA 99 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wh2 h ALA 99 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wh2 h ALA 99 CO -0.14 -0.64 -0.47 0.28 0.00 0.00 0.00 179.25 178.27 2wh2 n VAL 100 N -3.58 0.81 -3.10 0.00 0.31 0.35 -4.56 118.33 108.57 2wh2 n VAL 100 Ca 0.06 0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 64.28 2wh2 n VAL 100 Cb 0.61 -1.88 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 2wh2 n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wh2 s ARG 101 N -1.99 4.25 -0.36 5.55 0.52 0.52 -4.17 118.95 123.28 2wh2 s ARG 101 Ca -0.14 0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 55.74 2wh2 s ARG 101 Cb 0.02 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2wh2 s ARG 101 CO 0.20 -0.19 0.31 0.39 0.02 0.00 0.00 175.30 176.03 2wh2 n GLU 102 N 4.86 -1.50 0.28 3.54 -0.58 -1.24 -3.82 120.64 122.17 2wh2 n GLU 102 Ca -0.01 0.28 0.15 0.00 -0.42 0.00 0.00 57.16 57.16 2wh2 n GLU 102 Cb 0.50 -3.28 0.80 0.00 -0.57 0.00 0.00 31.44 28.89 2wh2 n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2wh2 h PRO 103 N -0.49 0.00 -0.98 3.49 0.13 -1.68 -2.62 132.00 129.85 2wh2 h PRO 103 Ca -0.19 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.03 2wh2 h PRO 103 Cb 1.11 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.16 2wh2 h PRO 103 CO 0.15 0.08 0.63 1.96 -0.23 0.00 0.00 178.00 180.59 2wh2 h GLN 104 N 0.00 1.03 -0.01 0.86 7.50 -1.93 0.25 115.11 122.80 2wh2 h GLN 104 Ca -0.00 -0.06 -0.16 0.00 0.50 0.00 0.00 58.65 58.93 2wh2 h GLN 104 Cb 0.31 -0.23 0.01 0.00 0.05 0.00 0.00 27.48 27.62 2wh2 h GLN 104 CO 0.01 0.68 -0.60 0.28 -1.50 0.00 0.00 178.83 177.70 2wh2 h VAL 105 N 1.06 1.42 -0.35 -0.54 2.07 -1.81 -2.02 116.25 116.07 2wh2 h VAL 105 Ca 0.45 -2.05 0.07 0.00 0.82 0.00 0.00 66.70 65.99 2wh2 h VAL 105 Cb 0.32 2.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2wh2 h VAL 105 CO -0.20 0.60 -0.03 0.15 0.02 0.00 0.00 177.57 178.10 2wh2 h PHE 106 N -0.06 -0.08 -0.27 1.57 3.57 -1.35 0.17 116.94 120.49 2wh2 h PHE 106 Ca -0.07 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.52 2wh2 h PHE 106 Cb 1.30 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.07 2wh2 h PHE 106 CO 0.14 -0.10 -0.13 0.00 -2.23 0.00 0.00 178.31 175.99 2wh2 h ALA 107 N 1.32 0.09 -0.15 2.41 0.00 -0.53 0.64 119.26 123.04 2wh2 h ALA 107 Ca 0.17 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2wh2 h ALA 107 Cb 0.25 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2wh2 h ALA 107 CO -0.32 -0.54 -0.36 0.93 0.00 0.00 0.00 179.25 178.97 2wh2 h GLU 108 N -0.10 -0.33 -0.96 0.00 4.39 -0.38 -1.06 114.58 116.15 2wh2 h GLU 108 Ca 0.14 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.03 2wh2 h GLU 108 Cb 0.31 0.08 -0.17 0.00 -0.10 0.00 0.00 28.75 28.87 2wh2 h GLU 108 CO -0.33 -0.22 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.90 2wh2 h LEU 109 N -0.35 -1.21 -0.41 1.33 3.38 0.33 -1.51 115.31 116.88 2wh2 h LEU 109 Ca 0.03 0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.34 2wh2 h LEU 109 Cb 0.43 0.68 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2wh2 h LEU 109 CO -0.32 -0.30 -0.41 0.58 0.09 0.00 0.00 178.44 178.08 2wh2 h VAL 110 N -0.01 0.00 -0.01 1.22 2.07 0.41 0.15 116.25 120.08 2wh2 h VAL 110 Ca 0.39 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.92 2wh2 h VAL 110 Cb 0.64 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2wh2 h VAL 110 CO -0.97 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 175.88 2wh2 h GLU 111 N -0.20 -0.49 -1.81 1.57 4.39 -0.91 0.36 114.58 117.49 2wh2 h GLU 111 Ca 0.07 0.03 0.53 0.00 0.34 0.00 0.00 59.36 60.33 2wh2 h GLU 111 Cb 0.39 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 2wh2 h GLU 111 CO -0.50 -0.32 1.33 0.00 -1.16 0.00 0.00 179.01 178.36 2wh2 h ARG 112 N -0.51 0.00 0.00 2.33 2.47 -0.65 0.44 114.38 118.46 2wh2 h ARG 112 Ca 0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2wh2 h ARG 112 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2wh2 h ARG 112 CO -0.28 0.00 -0.36 0.00 0.56 0.00 0.00 179.97 179.89 2wh2 h ALA 113 N 1.04 0.04 0.00 0.04 0.00 0.23 -3.33 119.26 117.28 2wh2 h ALA 113 Ca 0.86 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wh2 h ALA 113 Cb 3.52 0.28 0.00 0.00 0.00 0.00 0.00 17.79 21.59 2wh2 h ALA 113 CO -0.01 0.28 0.00 0.36 0.00 0.00 0.00 179.25 179.88 2wh2 n LYS 114 N -4.65 0.40 -0.01 0.00 2.85 0.90 -0.76 118.16 116.89 2wh2 n LYS 114 Ca -0.09 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.14 2wh2 n LYS 114 Cb 0.26 -1.21 -0.12 0.00 -0.65 0.00 0.00 35.03 33.32 2wh2 n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wh2 n ALA 115 N -0.71 1.80 -1.28 0.58 0.00 0.13 -3.92 120.51 117.11 2wh2 n ALA 115 Ca 0.04 -0.74 -0.33 0.00 0.00 0.00 0.00 53.44 52.42 2wh2 n ALA 115 Cb 0.02 -0.78 0.08 0.00 0.00 0.00 0.00 19.45 18.76 2wh2 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n ALA 116 N -2.49 6.21 0.12 0.00 0.00 0.07 -3.98 120.51 120.44 2wh2 n ALA 116 Ca -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 53.44 50.03 2wh2 n ALA 116 Cb 0.93 -1.73 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 2wh2 n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wh2 n GLN 117 N -0.78 2.51 -0.08 0.00 1.13 -1.25 -4.80 117.38 114.11 2wh2 n GLN 117 Ca 0.59 -0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2wh2 n GLN 117 Cb 0.66 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 30.16 2wh2 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03