#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 s LYS 2 N 0.00 3.36 -0.07 0.03 -0.14 -1.26 -4.92 119.74 116.74 2aw4 s LYS 2 Ca 0.00 2.16 -0.24 0.00 -1.36 0.00 0.00 55.97 56.53 2aw4 s LYS 2 Cb 0.00 -4.33 -0.04 0.00 -1.68 0.00 0.00 37.83 31.79 2aw4 s LYS 2 CO 0.00 -1.85 0.72 -0.08 -0.76 0.00 0.00 175.35 173.38 2aw4 s THR 3 N 7.44 5.03 0.00 2.17 -1.32 -1.26 -4.91 115.64 122.79 2aw4 s THR 3 Ca 0.98 1.48 0.00 0.00 -1.21 0.00 0.00 61.69 62.94 2aw4 s THR 3 Cb -0.35 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.58 2aw4 s THR 3 CO 0.37 0.24 0.00 0.33 -2.21 0.00 0.00 174.62 173.35 2aw4 n PHE 4 N 3.82 0.00 -2.92 9.09 7.35 -1.26 -5.13 117.46 128.42 2aw4 n PHE 4 Ca -0.01 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.32 2aw4 n PHE 4 Cb 0.51 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.28 2aw4 n PHE 4 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2aw4 s THR 5 N 0.00 4.38 0.00 -2.13 2.01 -1.26 -5.03 115.64 113.61 2aw4 s THR 5 Ca 0.00 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.55 2aw4 s THR 5 Cb 0.00 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2aw4 s THR 5 CO 0.00 0.10 0.00 0.00 -0.69 0.00 0.00 174.62 174.03 2aw4 n ALA 6 N 0.46 0.00 -3.82 7.40 0.00 -1.26 -4.55 120.51 118.74 2aw4 n ALA 6 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2aw4 n ALA 6 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 2aw4 n ALA 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2aw4 s LYS 7 N -0.30 1.56 0.00 0.00 2.20 -1.26 -4.41 119.74 117.53 2aw4 s LYS 7 Ca 0.00 -2.23 0.00 0.00 -0.36 0.00 0.00 55.97 53.38 2aw4 s LYS 7 Cb 0.00 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 2aw4 s LYS 7 CO 0.00 -1.13 0.22 -2.30 -0.36 0.00 0.00 175.35 171.78 2aw4 n PRO 8 N 3.41 0.39 -2.95 4.03 -0.02 -1.26 -4.76 135.00 133.84 2aw4 n PRO 8 Ca 0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 2aw4 n PRO 8 Cb 0.34 -1.17 0.01 0.00 -0.02 0.00 0.00 33.50 32.66 2aw4 n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2aw4 n GLU 9 N 0.22 -2.28 -3.78 -0.52 2.13 -1.26 -3.74 120.64 111.41 2aw4 n GLU 9 Ca 0.00 2.01 -0.25 0.00 0.66 0.00 0.00 57.16 59.58 2aw4 n GLU 9 Cb 0.09 -5.23 0.00 0.00 0.27 0.00 0.00 31.44 26.57 2aw4 n GLU 9 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2aw4 n THR 10 N -0.36 -3.63 0.00 6.31 -2.24 -1.26 -4.89 114.28 108.20 2aw4 n THR 10 Ca 0.09 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2aw4 n THR 10 Cb 0.49 -3.09 0.00 0.00 -2.10 0.00 0.00 70.33 65.63 2aw4 n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2aw4 n VAL 11 N -2.74 0.00 -4.25 2.28 3.14 -1.25 -4.79 118.33 110.72 2aw4 n VAL 11 Ca -0.30 1.22 -0.24 0.00 -2.96 0.00 0.00 64.34 62.06 2aw4 n VAL 11 Cb 0.68 -1.94 -0.07 0.00 -1.06 0.00 0.00 33.84 31.44 2aw4 n VAL 11 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2aw4 s LYS 12 N -1.88 2.37 -0.22 1.45 0.00 -1.26 -5.11 119.74 115.09 2aw4 s LYS 12 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 55.97 54.66 2aw4 s LYS 12 Cb 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 37.83 35.64 2aw4 s LYS 12 CO 0.00 0.40 0.09 1.03 0.00 0.00 0.00 175.35 176.87 2aw4 s ARG 13 N -3.39 0.31 -0.29 1.78 0.52 -1.26 -4.80 118.95 111.82 2aw4 s ARG 13 Ca 0.30 -0.38 -0.23 0.00 -0.52 0.00 0.00 55.73 54.90 2aw4 s ARG 13 Cb -0.08 -1.75 -0.00 0.00 0.52 0.00 0.00 34.95 33.64 2aw4 s ARG 13 CO 0.20 -0.78 0.78 -0.51 0.02 0.00 0.00 175.30 175.01 2aw4 s ASP 14 N 2.01 6.68 0.36 0.23 1.11 -1.26 -4.84 116.67 120.96 2aw4 s ASP 14 Ca 0.04 0.73 -0.25 0.00 0.18 0.00 0.00 52.55 53.24 2aw4 s ASP 14 Cb -0.16 -2.41 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 2aw4 s ASP 14 CO -0.17 -0.58 1.03 -1.66 1.18 0.00 0.00 175.17 174.96 2aw4 s TRP 15 N 2.91 3.45 0.20 4.23 1.48 -1.20 -2.94 118.94 127.05 2aw4 s TRP 15 Ca 0.32 1.70 -0.12 0.00 -1.06 0.00 0.00 56.10 56.94 2aw4 s TRP 15 Cb -0.14 -3.09 0.00 0.00 -1.16 0.00 0.00 33.47 29.08 2aw4 s TRP 15 CO 0.11 -0.36 0.40 0.71 -4.06 0.00 0.00 176.95 173.75 2aw4 s TYR 16 N -1.56 0.28 -0.20 1.66 1.51 0.38 -3.54 117.35 115.88 2aw4 s TYR 16 Ca 0.53 -0.64 -0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2aw4 s TYR 16 Cb -0.23 0.11 0.07 0.00 -0.11 0.00 0.00 41.96 41.81 2aw4 s TYR 16 CO 0.29 -0.85 0.09 0.08 -1.11 0.00 0.00 175.55 174.04 2aw4 s VAL 17 N -3.97 0.04 0.00 0.71 1.01 0.92 -1.58 120.40 117.53 2aw4 s VAL 17 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2aw4 s VAL 17 Cb 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2aw4 s VAL 17 CO 0.03 -0.37 0.00 1.33 0.00 0.00 0.00 175.10 176.08 2aw4 n VAL 18 N 5.22 0.00 0.00 2.92 0.24 0.29 -4.86 118.33 122.15 2aw4 n VAL 18 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2aw4 n VAL 18 Cb 0.47 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.26 2aw4 n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2aw4 n ASP 19 N -2.03 1.11 0.00 -1.34 5.68 -1.26 -4.56 116.55 114.15 2aw4 n ASP 19 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2aw4 n ASP 19 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2aw4 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aw4 n ALA 20 N -2.74 0.00 1.22 2.12 0.00 -1.26 -3.85 120.51 116.01 2aw4 n ALA 20 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2aw4 n ALA 20 Cb 0.43 -0.02 0.59 0.00 0.00 0.00 0.00 19.45 20.44 2aw4 n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2aw4 n THR 21 N -1.48 0.04 0.00 0.00 5.66 -1.26 -4.09 114.28 113.15 2aw4 n THR 21 Ca 0.00 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2aw4 n THR 21 Cb 0.00 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 2aw4 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aw4 n GLY 22 N 0.26 -2.24 0.00 1.09 0.00 -1.26 -4.85 105.19 98.19 2aw4 n GLY 22 Ca 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2aw4 n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aw4 n LYS 23 N 0.00 -0.41 0.19 1.61 -0.00 -1.26 -4.69 118.16 113.59 2aw4 n LYS 23 Ca 0.00 -0.25 0.12 0.00 -0.00 0.00 0.00 58.31 58.18 2aw4 n LYS 23 Cb 0.00 -0.73 0.21 0.00 -0.00 0.00 0.00 35.03 34.51 2aw4 n LYS 23 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2aw4 h THR 24 N 0.56 0.00 0.00 0.58 1.35 -1.92 -3.45 112.91 110.03 2aw4 h THR 24 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2aw4 h THR 24 Cb 0.28 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2aw4 h THR 24 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 2aw4 n LEU 25 N -2.88 0.00 -0.09 3.87 7.99 -1.26 -0.94 117.00 123.70 2aw4 n LEU 25 Ca 0.04 0.00 0.25 0.00 -0.01 0.00 0.00 56.01 56.29 2aw4 n LEU 25 Cb 0.51 0.00 0.72 0.00 -0.11 0.00 0.00 43.42 44.53 2aw4 n LEU 25 CO 0.34 0.00 1.23 1.23 -1.51 0.00 0.00 177.39 178.67 2aw4 h GLY 26 N 0.00 0.00 1.12 -0.72 0.00 -1.97 -1.50 103.07 100.00 2aw4 h GLY 26 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2aw4 h GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 2aw4 h ARG 27 N 0.00 1.05 -0.58 4.80 2.47 -1.45 -3.09 114.38 117.59 2aw4 h ARG 27 Ca 0.34 -0.33 0.07 0.00 -1.26 0.00 0.00 59.98 58.80 2aw4 h ARG 27 Cb 1.41 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.60 2aw4 h ARG 27 CO -0.00 1.03 0.38 1.25 0.56 0.00 0.00 179.97 183.19 2aw4 h LEU 28 N 0.96 0.46 -0.72 3.04 6.46 -1.37 -3.08 115.31 121.06 2aw4 h LEU 28 Ca 0.17 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 58.09 2aw4 h LEU 28 Cb 0.55 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 40.26 2aw4 h LEU 28 CO 0.03 0.30 0.02 0.00 -0.62 0.00 0.00 178.44 178.16 2aw4 h ALA 29 N 1.69 0.75 0.16 1.25 0.00 -1.62 -1.35 119.26 120.13 2aw4 h ALA 29 Ca 0.25 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.40 2aw4 h ALA 29 Cb 0.32 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2aw4 h ALA 29 CO -0.07 -0.41 -0.27 1.79 0.00 0.00 0.00 179.25 180.28 2aw4 h THR 30 N 0.12 0.41 0.00 0.00 1.35 -1.74 2.05 112.91 115.09 2aw4 h THR 30 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2aw4 h THR 30 Cb 0.67 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2aw4 h THR 30 CO -0.62 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 172.81 2aw4 n GLU 31 N -5.39 0.62 -0.07 4.72 0.28 -0.93 0.12 120.64 120.00 2aw4 n GLU 31 Ca -0.07 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.86 2aw4 n GLU 31 Cb 0.30 -1.37 -0.11 0.00 1.43 0.00 0.00 31.44 31.69 2aw4 n GLU 31 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2aw4 n LEU 32 N -0.87 0.03 0.05 -1.84 7.94 0.56 -3.94 117.00 118.94 2aw4 n LEU 32 Ca 0.11 -0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.83 2aw4 n LEU 32 Cb 0.05 0.34 -0.14 0.00 0.53 0.00 0.00 43.42 44.20 2aw4 n LEU 32 CO 0.08 0.36 -0.46 0.00 -1.11 0.00 0.00 177.39 176.26 2aw4 h ALA 33 N 0.70 0.30 -0.45 1.96 0.00 0.49 -3.25 119.26 119.00 2aw4 h ALA 33 Ca -0.39 -1.18 -0.08 0.00 0.00 0.00 0.00 54.91 53.26 2aw4 h ALA 33 Cb 1.88 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 2aw4 h ALA 33 CO 0.02 1.17 -0.04 0.00 0.00 0.00 0.00 179.25 180.40 2aw4 h ARG 34 N 0.07 0.76 -0.09 0.00 2.47 0.78 -3.22 114.38 115.16 2aw4 h ARG 34 Ca -0.29 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2aw4 h ARG 34 Cb 2.04 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 30.27 2aw4 h ARG 34 CO 0.15 0.80 0.04 -0.09 0.56 0.00 0.00 179.97 181.43 2aw4 h ARG 35 N 0.71 0.13 -0.24 0.04 9.65 -1.68 -1.82 114.38 121.15 2aw4 h ARG 35 Ca 0.13 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2aw4 h ARG 35 Cb 0.49 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2aw4 h ARG 35 CO 0.03 0.21 0.00 1.28 2.80 0.00 0.00 179.97 184.29 2aw4 n LEU 36 N -4.95 0.24 0.00 3.80 4.77 -1.21 -4.12 117.00 115.52 2aw4 n LEU 36 Ca -0.06 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2aw4 n LEU 36 Cb 0.10 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2aw4 n LEU 36 CO 0.34 0.06 0.00 -1.14 -1.33 0.00 0.00 177.39 175.32 2aw4 n ARG 37 N -0.22 0.00 -2.69 3.23 3.00 -1.03 -4.03 116.66 114.93 2aw4 n ARG 37 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 2aw4 n ARG 37 Cb 0.06 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.59 2aw4 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aw4 n GLY 38 N 3.88 0.15 0.00 5.14 0.00 -0.97 -3.66 105.19 109.72 2aw4 n GLY 38 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2aw4 n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aw4 n LYS 39 N -0.29 0.00 0.17 1.61 3.00 -0.72 -4.15 118.16 117.77 2aw4 n LYS 39 Ca -0.10 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.39 2aw4 n LYS 39 Cb 0.75 -0.13 0.79 0.00 0.00 0.00 0.00 35.03 36.44 2aw4 n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2aw4 h HIS 40 N 0.00 0.00 -3.91 5.64 3.86 -1.89 -3.41 115.15 115.44 2aw4 h HIS 40 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2aw4 h HIS 40 Cb 0.00 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.55 2aw4 h HIS 40 CO 0.00 0.00 0.66 0.21 0.86 0.00 0.00 177.93 179.66 2aw4 s LYS 41 N -4.53 4.22 -0.03 2.45 2.20 -1.26 -4.97 119.74 117.82 2aw4 s LYS 41 Ca -0.04 2.28 -0.05 0.00 -0.36 0.00 0.00 55.97 57.81 2aw4 s LYS 41 Cb 0.14 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2aw4 s LYS 41 CO 0.50 -0.33 -0.09 0.00 -0.36 0.00 0.00 175.35 175.07 2aw4 n ALA 42 N 0.58 1.22 -1.00 3.13 0.00 -1.26 -4.91 120.51 118.27 2aw4 n ALA 42 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2aw4 n ALA 42 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2aw4 n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2aw4 n GLU 43 N -3.12 0.00 0.00 0.00 0.28 -1.26 -4.70 120.64 111.84 2aw4 n GLU 43 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2aw4 n GLU 43 Cb 0.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.00 2aw4 n GLU 43 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2aw4 n TYR 44 N 0.00 0.00 -1.49 -1.84 4.01 -1.26 -4.51 117.16 112.07 2aw4 n TYR 44 Ca 0.00 0.00 -0.63 0.00 -0.16 0.00 0.00 57.90 57.11 2aw4 n TYR 44 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2aw4 n TYR 44 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2aw4 n THR 45 N 0.00 0.02 0.00 -0.72 -2.24 -1.26 -4.94 114.28 105.14 2aw4 n THR 45 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2aw4 n THR 45 Cb 0.00 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2aw4 n THR 45 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2aw4 n PRO 46 N 5.93 2.44 0.00 -0.78 -0.04 -1.26 -4.18 135.00 137.11 2aw4 n PRO 46 Ca 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2aw4 n PRO 46 Cb -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 2aw4 n PRO 46 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2aw4 n HIS 47 N 0.00 0.00 -2.74 0.54 8.25 -1.26 -4.80 115.22 115.22 2aw4 n HIS 47 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 2aw4 n HIS 47 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 2aw4 n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2aw4 s VAL 48 N 0.00 2.14 0.49 1.59 -7.23 -1.26 -5.03 120.40 111.10 2aw4 s VAL 48 Ca 0.00 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 2aw4 s VAL 48 Cb 0.00 -2.42 -0.11 0.00 0.56 0.00 0.00 36.38 34.42 2aw4 s VAL 48 CO 0.00 0.00 0.55 0.47 -0.31 0.00 0.00 175.10 175.81 2aw4 n ASP 49 N -2.64 -0.86 0.00 4.85 9.92 -1.26 -4.90 116.55 121.66 2aw4 n ASP 49 Ca 0.15 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 2aw4 n ASP 49 Cb 0.61 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 2aw4 n ASP 49 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2aw4 n THR 50 N -1.22 0.00 0.00 -3.53 5.66 -1.26 -4.45 114.28 109.47 2aw4 n THR 50 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2aw4 n THR 50 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2aw4 n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aw4 n GLY 51 N 0.00 0.85 0.00 1.09 0.00 -1.24 -4.87 105.19 101.02 2aw4 n GLY 51 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2aw4 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2aw4 n ASP 52 N 0.69 1.45 -3.15 1.61 2.03 -1.26 -4.72 116.55 113.20 2aw4 n ASP 52 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2aw4 n ASP 52 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2aw4 n ASP 52 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2aw4 s TYR 53 N 0.14 -0.91 0.36 -0.67 5.04 -1.15 -4.79 117.35 115.37 2aw4 s TYR 53 Ca 0.00 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.20 2aw4 s TYR 53 Cb 0.00 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 2aw4 s TYR 53 CO 0.00 -0.53 0.07 0.44 -1.34 0.00 0.00 175.55 174.20 2aw4 n ILE 54 N 5.22 0.00 -3.65 3.14 -5.35 -1.26 -0.47 119.36 116.99 2aw4 n ILE 54 Ca 0.07 -1.90 -0.14 0.00 -0.27 0.00 0.00 62.75 60.51 2aw4 n ILE 54 Cb 0.56 0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 38.96 2aw4 n ILE 54 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2aw4 s ILE 55 N -2.65 0.00 0.39 7.28 2.07 -0.62 -4.51 121.20 123.17 2aw4 s ILE 55 Ca 0.10 -0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 2aw4 s ILE 55 Cb 0.01 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 2aw4 s ILE 55 CO 0.07 -0.02 0.62 -0.69 -1.91 0.00 0.00 174.94 173.01 2aw4 s VAL 56 N -0.06 4.93 0.00 4.00 1.01 -1.09 -0.55 120.40 128.65 2aw4 s VAL 56 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2aw4 s VAL 56 Cb -0.04 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2aw4 s VAL 56 CO 0.03 -0.60 0.00 0.18 0.00 0.00 0.00 175.10 174.70 2aw4 n LEU 57 N -1.93 0.00 0.39 3.92 7.99 -1.17 -4.43 117.00 121.77 2aw4 n LEU 57 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.79 2aw4 n LEU 57 Cb 0.56 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.78 2aw4 n LEU 57 CO 0.50 0.00 0.61 -0.55 -1.51 0.00 0.00 177.39 176.44 2aw4 h ASN 58 N 0.00 -0.94 0.00 -1.43 7.08 -1.78 -2.94 115.58 115.57 2aw4 h ASN 58 Ca 0.00 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 2aw4 h ASN 58 Cb 0.00 0.26 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2aw4 h ASN 58 CO 0.00 -0.62 0.00 0.00 -2.08 0.00 0.00 177.43 174.73 2aw4 n ALA 59 N -2.58 0.00 0.00 4.14 0.00 -1.26 -3.78 120.51 117.04 2aw4 n ALA 59 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2aw4 n ALA 59 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 2aw4 n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aw4 n ASP 60 N 0.19 0.01 -4.17 0.00 9.92 -1.26 -3.67 116.55 117.57 2aw4 n ASP 60 Ca 0.00 0.39 -0.44 0.00 -0.53 0.00 0.00 54.79 54.21 2aw4 n ASP 60 Cb 0.00 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 2aw4 n ASP 60 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2aw4 n LYS 61 N -1.40 3.96 -4.07 -1.24 4.76 -1.26 -4.97 118.16 113.93 2aw4 n LYS 61 Ca -0.00 -4.41 -0.13 0.00 -2.87 0.00 0.00 58.31 50.90 2aw4 n LYS 61 Cb 0.11 -2.58 -0.11 0.00 -1.84 0.00 0.00 35.03 30.61 2aw4 n LYS 61 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2aw4 s VAL 62 N -1.70 0.56 0.00 -0.18 -7.23 -1.24 -4.45 120.40 106.15 2aw4 s VAL 62 Ca 0.32 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2aw4 s VAL 62 Cb -0.02 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2aw4 s VAL 62 CO 0.01 -0.44 0.00 0.00 -0.31 0.00 0.00 175.10 174.36 2aw4 n ALA 63 N 1.28 0.04 -1.04 1.32 0.00 -1.26 -5.06 120.51 115.79 2aw4 n ALA 63 Ca -0.22 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.28 2aw4 n ALA 63 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 2aw4 n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2aw4 n VAL 64 N -0.02 0.00 0.00 0.00 0.31 -1.26 -3.86 118.33 113.50 2aw4 n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2aw4 n VAL 64 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 2aw4 n VAL 64 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2aw4 n THR 65 N -2.47 0.00 0.00 2.52 -2.24 -1.26 -4.94 114.28 105.90 2aw4 n THR 65 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2aw4 n THR 65 Cb 0.18 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2aw4 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aw4 n GLY 66 N 2.69 -2.64 1.26 3.38 0.00 -1.26 -4.67 105.19 103.94 2aw4 n GLY 66 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2aw4 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2aw4 n ASN 67 N 0.00 3.24 0.26 1.61 2.85 -1.26 -3.93 115.26 118.03 2aw4 n ASN 67 Ca 0.00 -1.84 0.15 0.00 -0.11 0.00 0.00 54.58 52.78 2aw4 n ASN 67 Cb 0.00 -0.62 0.65 0.00 1.24 0.00 0.00 39.78 41.04 2aw4 n ASN 67 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2aw4 h LYS 68 N 0.91 0.00 -0.15 1.20 1.57 -1.83 -0.79 116.57 117.48 2aw4 h LYS 68 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2aw4 h LYS 68 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2aw4 h LYS 68 CO 0.00 0.09 0.22 -0.09 -0.57 0.00 0.00 179.45 179.10 2aw4 h ARG 69 N 0.00 0.00 -0.01 3.15 9.65 -1.68 -1.38 114.38 124.11 2aw4 h ARG 69 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2aw4 h ARG 69 Cb 0.54 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 2aw4 h ARG 69 CO 0.01 0.00 -0.39 -2.37 2.80 0.00 0.00 179.97 180.03 2aw4 n THR 70 N -3.57 0.00 0.00 0.20 5.66 -0.32 -1.97 114.28 114.28 2aw4 n THR 70 Ca 0.01 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2aw4 n THR 70 Cb 0.33 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 2aw4 n THR 70 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2aw4 n ASP 71 N -0.52 0.00 -2.67 1.09 5.75 -0.52 -4.55 116.55 115.14 2aw4 n ASP 71 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.80 2aw4 n ASP 71 Cb 0.26 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.33 2aw4 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2aw4 n LYS 72 N 0.00 -4.01 -0.06 0.11 5.02 -1.26 0.78 118.16 118.74 2aw4 n LYS 72 Ca 0.00 3.11 -0.02 0.00 -2.02 0.00 0.00 58.31 59.38 2aw4 n LYS 72 Cb 0.00 -5.30 -0.01 0.00 -0.02 0.00 0.00 35.03 29.70 2aw4 n LYS 72 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2aw4 n VAL 73 N 1.13 -0.10 -2.41 -0.18 0.24 -1.26 -3.77 118.33 111.98 2aw4 n VAL 73 Ca -0.18 0.73 -0.00 0.00 -2.04 0.00 0.00 64.34 62.85 2aw4 n VAL 73 Cb 0.28 -0.95 -0.00 0.00 -1.47 0.00 0.00 33.84 31.70 2aw4 n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2aw4 n TYR 74 N -3.15 -0.94 -3.72 6.34 4.01 -1.26 -3.35 117.16 115.08 2aw4 n TYR 74 Ca 0.00 0.56 -0.14 0.00 -0.16 0.00 0.00 57.90 58.16 2aw4 n TYR 74 Cb 0.04 -1.57 -0.08 0.00 -0.31 0.00 0.00 39.34 37.41 2aw4 n TYR 74 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2aw4 s TYR 75 N -0.12 -0.27 -0.48 -0.72 1.13 -1.23 -1.05 117.35 114.61 2aw4 s TYR 75 Ca -0.02 0.43 0.08 0.00 -1.41 0.00 0.00 57.07 56.16 2aw4 s TYR 75 Cb 0.00 0.15 0.31 0.00 -1.10 0.00 0.00 41.96 41.32 2aw4 s TYR 75 CO 0.06 -0.42 0.75 0.72 -2.51 0.00 0.00 175.55 174.15 2aw4 n HIS 76 N 1.29 1.70 -1.03 -3.49 8.25 -1.22 -4.91 115.22 115.80 2aw4 n HIS 76 Ca -0.21 -3.87 -0.35 0.00 -0.26 0.00 0.00 57.72 53.03 2aw4 n HIS 76 Cb 0.56 -0.45 0.08 0.00 1.12 0.00 0.00 29.99 31.30 2aw4 n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2aw4 n HIS 77 N 0.48 -2.10 -4.47 4.41 -0.00 -1.26 -4.71 115.22 107.57 2aw4 n HIS 77 Ca 0.27 0.23 -0.22 0.00 0.46 0.00 0.00 57.72 58.45 2aw4 n HIS 77 Cb 0.52 -1.75 -0.11 0.00 -0.12 0.00 0.00 29.99 28.53 2aw4 n HIS 77 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2aw4 s THR 78 N -2.12 1.49 0.00 3.57 -4.23 -1.26 -4.99 115.64 108.09 2aw4 s THR 78 Ca 0.56 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2aw4 s THR 78 Cb -0.27 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2aw4 s THR 78 CO 0.67 -0.12 0.85 0.61 -0.54 0.00 0.00 174.62 176.09 2aw4 n GLY 79 N -0.69 1.37 0.78 3.99 0.00 -1.26 -4.11 105.19 105.27 2aw4 n GLY 79 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2aw4 n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aw4 n HIS 80 N 1.26 0.26 0.00 1.61 8.25 -1.26 -5.06 115.22 120.28 2aw4 n HIS 80 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2aw4 n HIS 80 Cb 0.28 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2aw4 n HIS 80 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2aw4 n ILE 81 N 0.97 0.00 -1.42 1.59 3.06 -1.26 -4.59 119.36 117.70 2aw4 n ILE 81 Ca 0.13 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.27 2aw4 n ILE 81 Cb 0.45 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.59 2aw4 n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2aw4 n GLY 82 N 0.00 0.90 2.73 4.50 0.00 -1.26 -3.26 105.19 108.81 2aw4 n GLY 82 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2aw4 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 83 N -0.25 -4.21 0.00 -0.02 0.00 -1.26 -5.06 105.19 94.39 2aw4 n GLY 83 Ca -0.11 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2aw4 n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aw4 n ILE 84 N 0.88 0.00 -2.39 -0.61 2.08 -1.20 -5.10 119.36 113.02 2aw4 n ILE 84 Ca -0.05 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.23 2aw4 n ILE 84 Cb 0.11 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.98 2aw4 n ILE 84 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2aw4 n LYS 85 N 0.00 -4.56 -3.48 0.38 4.76 -1.26 -4.93 118.16 109.07 2aw4 n LYS 85 Ca 0.00 3.40 -0.42 0.00 -2.87 0.00 0.00 58.31 58.42 2aw4 n LYS 85 Cb 0.00 -4.61 -0.04 0.00 -1.84 0.00 0.00 35.03 28.53 2aw4 n LYS 85 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2aw4 s GLN 86 N -0.71 3.39 0.01 1.97 -1.52 -1.26 -4.99 119.66 116.55 2aw4 s GLN 86 Ca -0.14 -2.74 -0.24 0.00 -1.95 0.00 0.00 55.36 50.29 2aw4 s GLN 86 Cb 0.01 -4.20 -0.05 0.00 -0.22 0.00 0.00 33.01 28.55 2aw4 s GLN 86 CO 0.38 -1.25 0.72 0.00 -0.25 0.00 0.00 175.29 174.89 2aw4 s ALA 87 N -0.38 3.38 -0.12 6.09 0.00 -1.25 -3.45 121.76 126.03 2aw4 s ALA 87 Ca 0.21 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 2aw4 s ALA 87 Cb -0.12 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.11 2aw4 s ALA 87 CO -0.08 0.05 0.28 0.95 0.00 0.00 0.00 175.76 176.96 2aw4 s THR 88 N 0.12 -0.10 0.90 0.00 -4.23 -0.22 -4.99 115.64 107.13 2aw4 s THR 88 Ca 0.37 0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 2aw4 s THR 88 Cb -0.19 -0.44 0.14 0.00 1.34 0.00 0.00 72.50 73.34 2aw4 s THR 88 CO 0.21 0.06 1.10 -0.36 -0.54 0.00 0.00 174.62 175.09 2aw4 s PHE 89 N 1.48 2.01 0.13 3.99 0.08 -1.26 -4.31 117.98 120.09 2aw4 s PHE 89 Ca -0.08 1.52 -0.28 0.00 0.12 0.00 0.00 56.93 58.21 2aw4 s PHE 89 Cb -0.10 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.11 2aw4 s PHE 89 CO -0.09 -2.58 1.59 1.49 -0.10 0.00 0.00 175.22 175.53 2aw4 h GLU 90 N -1.69 -0.48 -0.44 0.44 4.22 0.28 -1.08 114.58 115.83 2aw4 h GLU 90 Ca -0.47 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.07 2aw4 h GLU 90 Cb 1.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2aw4 h GLU 90 CO 0.48 -0.32 0.30 1.05 -2.18 0.00 0.00 179.01 178.35 2aw4 h GLU 91 N -0.49 0.31 0.00 1.92 4.11 -1.66 0.93 114.58 119.70 2aw4 h GLU 91 Ca 0.07 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.42 2aw4 h GLU 91 Cb 0.61 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2aw4 h GLU 91 CO -0.35 0.21 -0.32 1.98 0.07 0.00 0.00 179.01 180.60 2aw4 h MET 92 N 0.32 0.00 0.00 1.06 4.05 -1.54 -3.02 114.93 115.80 2aw4 h MET 92 Ca 0.20 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.34 2aw4 h MET 92 Cb 0.36 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 2aw4 h MET 92 CO -0.04 0.32 -2.04 1.51 0.23 0.00 0.00 176.91 176.88 2aw4 n ILE 93 N -3.92 1.21 0.00 1.77 3.06 0.36 -4.15 119.36 117.70 2aw4 n ILE 93 Ca -0.02 -0.77 0.00 0.00 -2.50 0.00 0.00 62.75 59.46 2aw4 n ILE 93 Cb 0.39 -0.55 0.00 0.00 0.54 0.00 0.00 39.64 40.01 2aw4 n ILE 93 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2aw4 n ALA 94 N -2.59 1.04 0.28 1.51 0.00 0.30 -1.48 120.51 119.57 2aw4 n ALA 94 Ca -0.22 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.38 2aw4 n ALA 94 Cb 1.01 -0.98 0.78 0.00 0.00 0.00 0.00 19.45 20.25 2aw4 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ARG 95 N 0.00 0.00 -1.13 0.00 2.47 -1.72 -3.35 114.38 110.65 2aw4 h ARG 95 Ca 0.00 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 2aw4 h ARG 95 Cb 0.02 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 28.13 2aw4 h ARG 95 CO 0.00 0.06 -0.62 -2.13 0.56 0.00 0.00 179.97 177.84 2aw4 n ARG 96 N -3.25 0.53 -1.53 0.04 0.00 -0.55 -5.10 116.66 106.80 2aw4 n ARG 96 Ca -0.01 -2.26 -0.35 0.00 -0.00 0.00 0.00 57.85 55.23 2aw4 n ARG 96 Cb 0.26 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.14 2aw4 n ARG 96 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2aw4 n PRO 97 N 2.60 0.58 0.00 -0.14 -0.02 -1.25 -4.86 135.00 131.92 2aw4 n PRO 97 Ca 0.19 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2aw4 n PRO 97 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2aw4 n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2aw4 n GLU 98 N 8.62 3.58 -1.88 -0.52 0.28 -1.26 -4.93 120.64 124.53 2aw4 n GLU 98 Ca 0.50 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.27 2aw4 n GLU 98 Cb 0.34 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.13 2aw4 n GLU 98 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2aw4 s ARG 99 N 3.81 1.99 0.00 3.44 3.52 -1.26 -4.42 118.95 126.04 2aw4 s ARG 99 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2aw4 s ARG 99 Cb 0.00 -5.11 0.00 0.00 -1.56 0.00 0.00 34.95 28.28 2aw4 s ARG 99 CO 0.00 -4.50 0.00 1.55 -0.81 0.00 0.00 175.30 171.54 2aw4 n VAL 100 N 8.29 0.00 0.00 7.11 3.14 -1.26 -4.96 118.33 130.66 2aw4 n VAL 100 Ca 0.43 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.81 2aw4 n VAL 100 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 2aw4 n VAL 100 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2aw4 n ILE 101 N 0.68 0.00 -0.23 1.55 3.06 -1.26 0.11 119.36 123.27 2aw4 n ILE 101 Ca 0.00 0.00 0.14 0.00 -2.50 0.00 0.00 62.75 60.39 2aw4 n ILE 101 Cb 0.00 0.00 0.44 0.00 0.54 0.00 0.00 39.64 40.62 2aw4 n ILE 101 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 2aw4 h GLU 102 N 0.00 0.54 -0.99 9.51 9.09 -1.93 0.68 114.58 131.48 2aw4 h GLU 102 Ca 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 2aw4 h GLU 102 Cb 0.00 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 26.97 2aw4 h GLU 102 CO 0.00 0.36 0.01 -0.89 0.05 0.00 0.00 179.01 178.54 2aw4 n ILE 103 N -4.53 0.64 0.47 -1.06 2.08 0.31 -4.10 119.36 113.17 2aw4 n ILE 103 Ca 0.17 -0.05 0.06 0.00 0.56 0.00 0.00 62.75 63.49 2aw4 n ILE 103 Cb 0.53 -0.77 0.28 0.00 -0.75 0.00 0.00 39.64 38.92 2aw4 n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2aw4 n ALA 104 N 0.27 1.61 0.08 -1.39 0.00 0.24 -2.43 120.51 118.89 2aw4 n ALA 104 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2aw4 n ALA 104 Cb 0.42 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.72 2aw4 n ALA 104 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2aw4 h VAL 105 N 0.00 1.44 -0.59 0.00 3.04 -1.82 -3.30 116.25 115.02 2aw4 h VAL 105 Ca 0.00 -2.32 0.12 0.00 -1.01 0.00 0.00 66.70 63.49 2aw4 h VAL 105 Cb 0.19 2.25 -0.09 0.00 -2.01 0.00 0.00 31.29 31.62 2aw4 h VAL 105 CO 0.00 0.68 0.06 0.50 -1.01 0.00 0.00 177.57 177.81 2aw4 h LYS 106 N 0.16 0.18 0.00 4.17 3.64 -1.84 0.55 116.57 123.43 2aw4 h LYS 106 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2aw4 h LYS 106 Cb 1.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2aw4 h LYS 106 CO 0.12 0.12 0.00 0.41 -2.27 0.00 0.00 179.45 177.83 2aw4 n GLY 107 N -1.33 -1.19 0.25 5.01 0.00 -1.24 -2.41 105.19 104.27 2aw4 n GLY 107 Ca 0.08 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2aw4 n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2aw4 n MET 108 N -1.95 0.66 -2.92 1.61 2.81 0.18 -4.96 117.12 112.55 2aw4 n MET 108 Ca 0.03 -0.49 -0.22 0.00 -1.81 0.00 0.00 57.70 55.20 2aw4 n MET 108 Cb 0.21 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.25 2aw4 n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2aw4 s LEU 109 N -2.68 3.57 0.66 4.03 1.43 -0.60 -4.95 118.68 120.14 2aw4 s LEU 109 Ca 0.17 0.17 0.19 0.00 -1.03 0.00 0.00 54.13 53.63 2aw4 s LEU 109 Cb 0.18 -3.05 1.04 0.00 0.03 0.00 0.00 46.19 44.38 2aw4 s LEU 109 CO 0.64 -0.80 1.59 -0.65 0.23 0.00 0.00 176.35 177.36 2aw4 h PRO 110 N 0.35 0.00 -2.62 1.29 0.11 -1.91 -3.47 132.00 125.75 2aw4 h PRO 110 Ca -0.45 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.93 2aw4 h PRO 110 Cb 1.26 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 2aw4 h PRO 110 CO 0.55 0.00 -0.87 1.63 -0.21 0.00 0.00 178.00 179.10 2aw4 n LYS 111 N -2.78 -2.48 0.00 1.05 5.02 -1.26 -4.94 118.16 112.77 2aw4 n LYS 111 Ca -0.01 1.97 0.00 0.00 -2.02 0.00 0.00 58.31 58.25 2aw4 n LYS 111 Cb 0.62 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 2aw4 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aw4 n GLY 112 N -3.81 0.14 3.74 0.72 0.00 -1.26 -4.42 105.19 100.29 2aw4 n GLY 112 Ca -0.06 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 2aw4 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aw4 s PRO 113 N 0.00 1.34 0.00 1.61 0.04 -1.26 -2.20 135.00 134.52 2aw4 s PRO 113 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2aw4 s PRO 113 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2aw4 s PRO 113 CO 0.00 -2.15 0.00 -0.11 0.04 0.00 0.00 177.00 174.78 2aw4 n LEU 114 N -3.80 0.00 -0.11 -3.56 7.94 -1.26 -3.73 117.00 112.48 2aw4 n LEU 114 Ca 0.07 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.83 2aw4 n LEU 114 Cb 0.56 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.48 2aw4 n LEU 114 CO 0.56 0.00 0.53 1.23 -1.11 0.00 0.00 177.39 178.60 2aw4 h GLY 115 N 0.00 1.01 1.33 -3.96 0.00 -1.77 -0.96 103.07 98.70 2aw4 h GLY 115 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 47.33 46.31 2aw4 h GLY 115 CO 0.00 0.95 0.30 -0.09 0.00 0.00 0.00 176.54 177.70 2aw4 h ARG 116 N 0.73 0.00 -0.80 4.80 9.65 -1.52 -0.11 114.38 127.13 2aw4 h ARG 116 Ca 0.05 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 2aw4 h ARG 116 Cb 1.01 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.55 2aw4 h ARG 116 CO 0.10 0.00 0.40 0.00 2.80 0.00 0.00 179.97 183.27 2aw4 h ALA 117 N 1.51 1.19 0.13 2.80 0.00 -1.46 -3.20 119.26 120.24 2aw4 h ALA 117 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2aw4 h ALA 117 Cb 0.66 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2aw4 h ALA 117 CO -0.00 0.62 -0.06 0.52 0.00 0.00 0.00 179.25 180.33 2aw4 h MET 118 N 1.14 -0.16 0.00 0.00 2.86 -1.11 -3.43 114.93 114.22 2aw4 h MET 118 Ca 0.28 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2aw4 h MET 118 Cb 0.09 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2aw4 h MET 118 CO -0.04 0.13 0.00 1.97 1.06 0.00 0.00 176.91 180.04 2aw4 n PHE 119 N -4.87 0.00 0.05 -0.22 -1.74 -1.15 0.04 117.46 109.58 2aw4 n PHE 119 Ca -0.05 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.87 2aw4 n PHE 119 Cb 0.18 0.00 0.15 0.00 1.52 0.00 0.00 39.48 41.34 2aw4 n PHE 119 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2aw4 n ARG 120 N 0.00 0.04 -0.21 3.97 0.00 -1.26 -3.94 116.66 115.25 2aw4 n ARG 120 Ca 0.00 0.49 -0.03 0.00 -0.00 0.00 0.00 57.85 58.31 2aw4 n ARG 120 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.74 2aw4 n ARG 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2aw4 n LYS 121 N -1.66 0.45 0.00 -0.14 5.02 0.11 -0.61 118.16 121.32 2aw4 n LYS 121 Ca -0.00 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 2aw4 n LYS 121 Cb 0.08 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2aw4 n LYS 121 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2aw4 n LEU 122 N 3.20 0.00 -0.93 -0.35 -0.00 -1.25 -4.83 117.00 112.84 2aw4 n LEU 122 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.15 2aw4 n LEU 122 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.55 2aw4 n LEU 122 CO 0.28 0.00 -0.34 0.29 -0.00 0.00 0.00 177.39 177.62 2aw4 n LYS 123 N 0.00 -2.32 0.01 1.47 4.76 0.22 -3.62 118.16 118.67 2aw4 n LYS 123 Ca 0.00 1.84 0.00 0.00 -2.87 0.00 0.00 58.31 57.28 2aw4 n LYS 123 Cb 0.00 -2.43 0.00 0.00 -1.84 0.00 0.00 35.03 30.76 2aw4 n LYS 123 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2aw4 n VAL 124 N -2.72 0.06 -0.99 -0.18 0.31 -1.26 -2.68 118.33 110.88 2aw4 n VAL 124 Ca -0.03 0.02 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2aw4 n VAL 124 Cb 0.35 -0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 2aw4 n VAL 124 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2aw4 n TYR 125 N -2.58 -2.51 -2.74 3.52 4.01 -1.26 -3.03 117.16 112.58 2aw4 n TYR 125 Ca 0.00 1.27 -0.07 0.00 -0.16 0.00 0.00 57.90 58.95 2aw4 n TYR 125 Cb 0.00 -2.28 0.04 0.00 -0.31 0.00 0.00 39.34 36.80 2aw4 n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2aw4 n ALA 126 N -2.31 -1.84 0.00 -0.72 0.00 -1.11 -4.44 120.51 110.09 2aw4 n ALA 126 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2aw4 n ALA 126 Cb 0.45 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2aw4 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 127 N 1.94 0.00 7.00 0.00 0.00 -1.26 -4.79 105.19 108.08 2aw4 n GLY 127 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2aw4 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2aw4 n ASN 128 N 0.00 0.00 -4.71 1.61 5.15 -1.26 -4.62 115.26 111.43 2aw4 n ASN 128 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2aw4 n ASN 128 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 2aw4 n ASN 128 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2aw4 s GLU 129 N 0.00 4.14 0.00 1.20 2.02 -1.26 -4.70 118.70 120.11 2aw4 s GLU 129 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2aw4 s GLU 129 Cb 0.00 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2aw4 s GLU 129 CO 0.00 0.29 0.00 1.58 0.02 0.00 0.00 175.26 177.15 2aw4 n HIS 130 N 3.54 0.00 -3.84 1.61 -0.00 -1.26 -5.01 115.22 110.26 2aw4 n HIS 130 Ca -0.16 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.72 2aw4 n HIS 130 Cb 0.52 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.28 2aw4 n HIS 130 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 2aw4 s ASN 131 N 2.00 5.06 -0.76 0.26 0.02 -1.26 -5.02 114.94 115.23 2aw4 s ASN 131 Ca 0.00 -3.75 -0.26 0.00 -1.02 0.00 0.00 52.86 47.84 2aw4 s ASN 131 Cb 0.00 -1.70 -0.11 0.00 0.02 0.00 0.00 41.25 39.46 2aw4 s ASN 131 CO 0.00 -0.12 2.31 -2.28 0.02 0.00 0.00 177.10 177.03 2aw4 s HIS 132 N -1.32 1.25 -0.11 2.20 2.46 -1.26 -4.71 115.29 113.80 2aw4 s HIS 132 Ca 0.25 1.67 0.16 0.00 0.47 0.00 0.00 55.06 57.61 2aw4 s HIS 132 Cb -0.07 -3.58 0.87 0.00 -0.13 0.00 0.00 32.58 29.67 2aw4 s HIS 132 CO -0.14 -1.75 1.43 0.00 -2.47 0.00 0.00 174.74 171.80 2aw4 n ALA 133 N 17.34 0.80 -2.04 1.58 0.00 -1.26 -4.56 120.51 132.38 2aw4 n ALA 133 Ca 0.43 0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.76 2aw4 n ALA 133 Cb 0.46 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.94 2aw4 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 s ALA 134 N -3.39 3.26 -0.21 0.00 0.00 -1.26 -4.97 121.76 115.19 2aw4 s ALA 134 Ca -0.02 -0.75 -0.35 0.00 0.00 0.00 0.00 51.96 50.84 2aw4 s ALA 134 Cb 0.05 -2.61 -0.12 0.00 0.00 0.00 0.00 23.12 20.44 2aw4 s ALA 134 CO 0.15 -0.93 1.97 0.94 0.00 0.00 0.00 175.76 177.89 2aw4 n GLN 135 N -2.67 1.67 0.05 0.00 7.27 -1.26 -4.89 117.38 117.55 2aw4 n GLN 135 Ca 0.05 0.57 -0.06 0.00 0.07 0.00 0.00 57.00 57.63 2aw4 n GLN 135 Cb 0.58 -2.54 0.11 0.00 2.41 0.00 0.00 30.24 30.80 2aw4 n GLN 135 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2aw4 h GLN 136 N 10.19 0.37 -5.82 3.69 5.75 -1.93 -3.47 115.11 123.89 2aw4 h GLN 136 Ca -0.42 -0.23 -0.28 0.00 -0.15 0.00 0.00 58.65 57.58 2aw4 h GLN 136 Cb 1.29 0.02 0.15 0.00 1.07 0.00 0.00 27.48 30.01 2aw4 h GLN 136 CO 0.97 0.82 -1.11 -2.30 -2.65 0.00 0.00 178.83 174.57 2aw4 n PRO 137 N -3.94 -0.80 0.00 -2.39 -0.02 -1.26 -4.74 135.00 121.84 2aw4 n PRO 137 Ca -0.02 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2aw4 n PRO 137 Cb 0.58 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2aw4 n PRO 137 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2aw4 n GLN 138 N 0.63 0.00 -3.63 -0.52 6.02 -1.26 -4.98 117.38 113.65 2aw4 n GLN 138 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 2aw4 n GLN 138 Cb 0.42 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.66 2aw4 n GLN 138 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2aw4 s VAL 139 N 0.00 0.00 0.00 5.09 -7.23 -1.26 -4.68 120.40 112.32 2aw4 s VAL 139 Ca 0.00 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2aw4 s VAL 139 Cb 0.00 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.45 2aw4 s VAL 139 CO 0.00 0.00 0.09 0.18 -0.31 0.00 0.00 175.10 175.06