#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3req n PRO 5 N 0.00 0.94 -3.97 3.23 -0.02 -1.26 -5.01 135.00 128.90 3req n PRO 5 Ca 0.00 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 3req n PRO 5 Cb 0.00 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 3req n PRO 5 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3req s ARG 6 N -1.44 0.15 -1.19 -0.52 0.52 -1.26 -5.10 118.95 110.11 3req s ARG 6 Ca 0.61 -0.06 -0.10 0.00 -0.52 0.00 0.00 55.73 55.65 3req s ARG 6 Cb -0.74 -0.15 0.22 0.00 0.52 0.00 0.00 34.95 34.80 3req s ARG 6 CO 0.59 0.04 1.48 1.19 0.02 0.00 0.00 175.30 178.62 3req n PHE 7 N 3.05 4.13 -0.08 -0.53 3.72 -1.26 -4.72 117.46 121.78 3req n PHE 7 Ca -0.12 -3.23 -0.22 0.00 -0.05 0.00 0.00 57.45 53.82 3req n PHE 7 Cb 0.59 -1.88 -0.12 0.00 -0.94 0.00 0.00 39.48 37.13 3req n PHE 7 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3req n ASP 8 N 3.88 1.99 0.00 4.37 9.92 -1.26 -4.73 116.55 130.73 3req n ASP 8 Ca 0.33 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 3req n ASP 8 Cb 0.39 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 3req n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3req n SER 9 N -3.88 4.66 -4.53 -2.24 2.88 -1.26 -5.00 113.62 104.25 3req n SER 9 Ca -0.38 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.78 3req n SER 9 Cb 0.90 0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 64.82 3req n SER 9 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3req n VAL 10 N -1.83 -0.04 -1.10 2.46 0.31 -1.26 -4.95 118.33 111.92 3req n VAL 10 Ca 0.00 -0.58 -0.30 0.00 -0.01 0.00 0.00 64.34 63.45 3req n VAL 10 Cb 0.40 -2.19 0.15 0.00 -0.91 0.00 0.00 33.84 31.29 3req n VAL 10 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3req s ASP 11 N 11.18 3.22 -0.05 4.52 1.01 -1.26 -4.82 116.67 130.46 3req s ASP 11 Ca 1.08 1.57 -0.13 0.00 0.71 0.00 0.00 52.55 55.78 3req s ASP 11 Cb -0.47 -2.23 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 3req s ASP 11 CO 0.33 -2.81 0.54 0.25 0.21 0.00 0.00 175.17 173.69 3req h LEU 12 N -1.67 -0.31 0.00 1.23 5.85 -2.02 -3.51 115.31 114.88 3req h LEU 12 Ca -0.50 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3req h LEU 12 Cb 1.28 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3req h LEU 12 CO 0.53 0.16 0.00 0.61 -0.34 0.00 0.00 178.44 179.40 3req n GLY 13 N 0.73 0.68 0.31 3.75 0.00 -1.26 -4.81 105.19 104.59 3req n GLY 13 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3req n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3req n ASN 14 N 0.00 0.00 -3.37 1.61 5.15 -1.26 -5.06 115.26 112.33 3req n ASN 14 Ca 0.00 -1.59 -0.36 0.00 -0.60 0.00 0.00 54.58 52.03 3req n ASN 14 Cb 0.00 -0.12 0.03 0.00 -0.53 0.00 0.00 39.78 39.17 3req n ASN 14 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3req n ALA 15 N 0.00 -2.23 -1.76 5.20 0.00 -1.26 -4.89 120.51 115.57 3req n ALA 15 Ca 0.00 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 3req n ALA 15 Cb 0.62 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.06 3req n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3req s PRO 16 N -2.45 4.52 -0.32 0.00 0.04 -1.26 -5.02 135.00 130.50 3req s PRO 16 Ca 0.34 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 3req s PRO 16 Cb -0.03 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 3req s PRO 16 CO 0.82 0.08 0.26 0.08 0.04 0.00 0.00 177.00 178.28 3req s VAL 17 N -1.20 5.26 1.03 -0.36 1.01 -1.26 -5.07 120.40 119.82 3req s VAL 17 Ca 0.47 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 3req s VAL 17 Cb -0.33 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.44 3req s VAL 17 CO 0.43 0.04 0.34 -2.65 0.00 0.00 0.00 175.10 173.25 3req n PRO 18 N 5.16 -1.00 -0.05 2.72 -0.02 -1.26 -4.95 135.00 135.60 3req n PRO 18 Ca -0.12 -0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 60.97 3req n PRO 18 Cb 0.50 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 3req n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3req h ALA 19 N -1.88 0.21 -0.04 3.55 0.00 -2.07 -3.24 119.26 115.79 3req h ALA 19 Ca -0.49 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3req h ALA 19 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3req h ALA 19 CO 0.37 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 3req n ASP 20 N -4.56 0.83 0.00 0.00 5.68 -1.26 -4.66 116.55 112.58 3req n ASP 20 Ca -0.06 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 3req n ASP 20 Cb 0.36 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3req n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3req n ALA 21 N -0.14 -0.04 -0.23 2.12 0.00 -1.22 0.34 120.51 121.34 3req n ALA 21 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 3req n ALA 21 Cb 0.19 0.41 0.14 0.00 0.00 0.00 0.00 19.45 20.18 3req n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3req h ALA 22 N -1.28 0.75 -0.23 0.00 0.00 -1.88 0.25 119.26 116.87 3req h ALA 22 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3req h ALA 22 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3req h ALA 22 CO 0.00 -0.38 0.15 -0.09 0.00 0.00 0.00 179.25 178.93 3req h ARG 23 N 0.17 0.29 -0.04 0.00 2.43 -1.80 -2.52 114.38 112.91 3req h ARG 23 Ca 0.37 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.38 3req h ARG 23 Cb 0.62 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3req h ARG 23 CO -0.54 0.19 -0.62 -0.09 -1.51 0.00 0.00 179.97 177.41 3req h ARG 24 N 0.30 0.16 0.85 0.20 2.43 0.53 -3.22 114.38 115.63 3req h ARG 24 Ca 0.08 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3req h ARG 24 Cb -0.03 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3req h ARG 24 CO -0.02 0.73 -0.48 0.35 -1.51 0.00 0.00 179.97 179.03 3req h PHE 25 N 0.12 -1.27 -0.71 2.20 3.57 -0.37 -3.07 116.94 117.42 3req h PHE 25 Ca -0.01 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.63 3req h PHE 25 Cb 1.11 0.44 -0.11 0.00 2.79 0.00 0.00 35.95 40.18 3req h PHE 25 CO 0.01 -0.73 0.09 0.93 -2.23 0.00 0.00 178.31 176.38 3req h GLU 26 N -1.23 0.18 -0.28 1.11 3.07 -1.51 0.65 114.58 116.56 3req h GLU 26 Ca -0.11 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.63 3req h GLU 26 Cb 0.97 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 3req h GLU 26 CO 0.14 0.12 -0.26 0.93 -1.40 0.00 0.00 179.01 178.55 3req h GLU 27 N 0.19 0.55 0.01 2.33 5.08 -1.66 -0.71 114.58 120.37 3req h GLU 27 Ca 0.39 -0.22 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 3req h GLU 27 Cb 0.67 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3req h GLU 27 CO -0.55 0.76 -0.91 -0.07 -1.00 0.00 0.00 179.01 177.24 3req h LEU 28 N 0.48 0.19 0.07 1.33 3.38 -1.22 -2.07 115.31 117.47 3req h LEU 28 Ca 0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3req h LEU 28 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3req h LEU 28 CO 0.05 1.00 -0.03 0.00 0.09 0.00 0.00 178.44 179.55 3req h ALA 29 N 0.98 -0.09 0.00 1.53 0.00 0.37 -2.89 119.26 119.16 3req h ALA 29 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3req h ALA 29 Cb 1.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3req h ALA 29 CO 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.89 3req h ALA 30 N 0.73 1.00 0.00 0.00 0.00 -1.21 -2.78 119.26 117.00 3req h ALA 30 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3req h ALA 30 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3req h ALA 30 CO 0.02 0.00 -0.15 0.87 0.00 0.00 0.00 179.25 179.98 3req h LYS 31 N 0.00 0.00 0.00 0.00 1.57 -1.17 -2.78 116.57 114.19 3req h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3req h LYS 31 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3req h LYS 31 CO 0.00 0.15 -0.23 0.00 -0.57 0.00 0.00 179.45 178.81 3req n ALA 32 N -2.17 2.63 -0.90 3.86 0.00 -1.06 -4.97 120.51 117.91 3req n ALA 32 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3req n ALA 32 Cb 0.44 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3req n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 33 N 1.39 1.26 3.63 0.00 0.00 -1.05 -5.01 105.19 105.41 3req n GLY 33 Ca 0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3req n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3req s THR 34 N -2.02 3.09 0.00 2.61 2.01 -1.21 -4.99 115.64 115.13 3req s THR 34 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3req s THR 34 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.43 3req s THR 34 CO 0.00 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 3req n GLY 35 N 5.05 0.47 3.51 4.40 0.00 -1.26 -4.90 105.19 112.46 3req n GLY 35 Ca 0.24 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 3req n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3req n GLU 36 N -0.77 -1.05 -1.71 1.61 -0.58 -1.26 -4.91 120.64 111.96 3req n GLU 36 Ca 0.00 -0.26 -0.39 0.00 -0.42 0.00 0.00 57.16 56.09 3req n GLU 36 Cb 0.00 -2.12 0.04 0.00 -0.57 0.00 0.00 31.44 28.80 3req n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3req n ALA 37 N -4.30 1.23 -1.79 0.62 0.00 -1.26 -4.91 120.51 110.10 3req n ALA 37 Ca 0.07 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 3req n ALA 37 Cb 0.54 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 3req n ALA 37 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3req s TRP 38 N -1.32 2.86 -0.87 0.00 -0.00 -0.42 -4.77 118.94 114.42 3req s TRP 38 Ca 0.72 0.72 -0.09 0.00 -0.00 0.00 0.00 56.10 57.44 3req s TRP 38 Cb -0.43 -4.03 0.22 0.00 -0.00 0.00 0.00 33.47 29.24 3req s TRP 38 CO 0.49 -3.57 0.79 -2.00 -0.00 0.00 0.00 176.95 172.67 3req s GLU 39 N 0.03 3.53 0.99 5.86 2.56 -1.26 -1.81 118.70 128.59 3req s GLU 39 Ca 0.66 -2.76 -0.15 0.00 0.00 0.00 0.00 54.97 52.71 3req s GLU 39 Cb -0.47 -4.28 -0.01 0.00 2.00 0.00 0.00 34.13 31.38 3req s GLU 39 CO 0.42 -1.26 -0.02 0.25 -0.56 0.00 0.00 175.26 174.10 3req n THR 40 N 3.37 0.00 0.29 -1.70 -2.24 -1.22 -4.83 114.28 107.95 3req n THR 40 Ca 0.16 -0.27 0.15 0.00 -2.27 0.00 0.00 64.05 61.83 3req n THR 40 Cb 0.42 -0.45 0.88 0.00 -2.10 0.00 0.00 70.33 69.08 3req n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3req h ALA 41 N -1.48 1.31 0.00 6.98 0.00 -1.96 -1.21 119.26 122.90 3req h ALA 41 Ca -0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3req h ALA 41 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3req h ALA 41 CO 0.32 0.06 -0.53 0.93 0.00 0.00 0.00 179.25 180.03 3req h GLU 42 N 0.00 0.00 -1.56 0.00 3.07 -1.97 -3.47 114.58 110.64 3req h GLU 42 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3req h GLU 42 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3req h GLU 42 CO 0.01 0.10 0.00 1.04 -1.40 0.00 0.00 179.01 178.76 3req n GLN 43 N -2.96 0.00 -3.97 2.33 6.02 -0.46 -4.97 117.38 113.37 3req n GLN 43 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.69 3req n GLN 43 Cb 0.59 -2.26 -0.15 0.00 1.02 0.00 0.00 30.24 29.44 3req n GLN 43 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3req s ILE 44 N -2.83 1.81 0.41 5.09 1.01 -1.26 -5.02 121.20 120.41 3req s ILE 44 Ca 0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 60.65 58.73 3req s ILE 44 Cb 0.00 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 3req s ILE 44 CO 0.00 -0.30 1.34 -2.16 0.00 0.00 0.00 174.94 173.82 3req s PRO 45 N 1.21 3.91 -0.01 2.79 0.04 -1.26 -3.37 135.00 138.31 3req s PRO 45 Ca 0.00 2.24 0.05 0.00 0.04 0.00 0.00 61.00 63.32 3req s PRO 45 Cb -0.19 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 3req s PRO 45 CO -0.09 -0.57 -0.15 0.08 0.04 0.00 0.00 177.00 176.31 3req s VAL 46 N -1.24 1.21 0.00 -0.36 1.01 -0.75 -4.94 120.40 115.32 3req s VAL 46 Ca 0.58 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3req s VAL 46 Cb -0.40 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3req s VAL 46 CO 0.51 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.54 3req n GLY 47 N 2.64 3.15 0.08 4.51 0.00 -1.26 -1.30 105.19 113.00 3req n GLY 47 Ca -0.15 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 43.86 3req n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3req n THR 48 N -0.47 0.42 -3.66 2.61 -2.24 -1.26 -4.81 114.28 104.86 3req n THR 48 Ca 0.00 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 3req n THR 48 Cb 0.00 -0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.97 3req n THR 48 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3req s LEU 49 N -4.71 -0.38 0.27 3.22 2.96 -1.26 -5.15 118.68 113.64 3req s LEU 49 Ca 0.02 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.70 3req s LEU 49 Cb 0.12 0.91 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 3req s LEU 49 CO 0.78 -0.23 0.37 -0.36 -1.32 0.00 0.00 176.35 175.58 3req s PHE 50 N 2.42 3.31 0.00 5.38 0.40 -1.26 -5.09 117.98 123.14 3req s PHE 50 Ca -0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 3req s PHE 50 Cb -0.12 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.75 3req s PHE 50 CO -0.10 0.33 0.00 -1.71 0.70 0.00 0.00 175.22 174.45 3req n ASN 51 N -1.44 0.00 0.30 1.36 2.85 -1.26 -4.87 115.26 112.20 3req n ASN 51 Ca -0.07 -0.80 0.18 0.00 -0.11 0.00 0.00 54.58 53.79 3req n ASN 51 Cb 0.57 0.00 0.90 0.00 1.24 0.00 0.00 39.78 42.49 3req n ASN 51 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 3req h GLU 52 N 0.00 0.00 0.00 1.20 9.09 -2.01 -3.20 114.58 119.66 3req h GLU 52 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3req h GLU 52 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3req h GLU 52 CO 0.00 0.04 0.00 -0.40 0.05 0.00 0.00 179.01 178.70 3req n ASP 53 N -3.26 0.00 0.15 3.06 5.68 -1.26 -3.80 116.55 117.13 3req n ASP 53 Ca -0.01 -0.48 0.09 0.00 -0.50 0.00 0.00 54.79 53.88 3req n ASP 53 Cb 0.20 -0.10 0.07 0.00 -1.14 0.00 0.00 41.12 40.15 3req n ASP 53 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 3req h VAL 54 N 0.00 0.24 -0.31 2.12 -1.51 -1.97 -3.37 116.25 111.45 3req h VAL 54 Ca 0.00 -1.37 -0.13 0.00 -1.23 0.00 0.00 66.70 63.97 3req h VAL 54 Cb 0.07 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 3req h VAL 54 CO 0.00 0.14 -0.33 1.88 -1.23 0.00 0.00 177.57 178.03 3req h TYR 55 N 0.00 0.79 0.00 5.19 0.05 -1.84 -3.40 116.97 117.76 3req h TYR 55 Ca -0.02 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.55 3req h TYR 55 Cb 1.15 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.71 3req h TYR 55 CO 0.00 0.92 0.00 1.17 -1.05 0.00 0.00 178.16 179.20 3req n LYS 56 N -4.07 0.00 -0.39 4.88 3.00 -1.26 0.32 118.16 120.64 3req n LYS 56 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.36 3req n LYS 56 Cb 0.48 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.74 3req n LYS 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3req n ASP 57 N -1.42 3.18 -4.49 3.14 8.00 -1.26 -4.88 116.55 118.82 3req n ASP 57 Ca 0.00 -2.27 -0.43 0.00 0.71 0.00 0.00 54.79 52.80 3req n ASP 57 Cb 0.00 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.57 3req n ASP 57 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3req s MET 58 N -1.71 3.16 0.27 -1.24 -1.94 0.15 -4.97 119.30 113.02 3req s MET 58 Ca 0.33 -0.63 0.19 0.00 -1.71 0.00 0.00 55.69 53.86 3req s MET 58 Cb 0.21 -3.97 0.09 0.00 2.01 0.00 0.00 34.83 33.17 3req s MET 58 CO 0.16 -0.94 1.32 0.38 -0.01 0.00 0.00 175.02 175.93 3req h ASP 59 N 8.80 0.00 0.25 3.03 3.04 -1.90 -3.39 116.42 126.25 3req h ASP 59 Ca -0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 3req h ASP 59 Cb 1.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 3req h ASP 59 CO 0.84 0.31 0.00 -2.67 -2.04 0.00 0.00 179.24 175.68 3req n TRP 60 N -3.05 0.00 1.75 4.15 2.14 -1.26 -4.38 117.44 116.79 3req n TRP 60 Ca 0.00 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.64 3req n TRP 60 Cb 0.67 -0.18 0.40 0.00 -0.81 0.00 0.00 31.31 31.39 3req n TRP 60 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3req n LEU 61 N -1.18 0.00 -0.14 5.67 4.77 -1.26 -2.45 117.00 122.41 3req n LEU 61 Ca 0.13 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 3req n LEU 61 Cb 0.13 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3req n LEU 61 CO 0.15 0.00 0.35 -0.67 -1.33 0.00 0.00 177.39 175.89 3req n ASP 62 N -0.74 0.77 -4.62 -1.43 2.03 -1.26 -5.03 116.55 106.27 3req n ASP 62 Ca 0.10 -1.78 -0.29 0.00 0.52 0.00 0.00 54.79 53.34 3req n ASP 62 Cb 0.05 -0.12 0.20 0.00 -0.72 0.00 0.00 41.12 40.53 3req n ASP 62 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3req s THR 63 N -0.64 2.17 -0.03 5.18 -4.23 -1.03 -5.02 115.64 112.04 3req s THR 63 Ca 0.05 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.66 3req s THR 63 Cb 0.04 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 3req s THR 63 CO 0.00 -0.07 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.52 3req s TYR 64 N -2.77 1.77 0.18 3.99 1.51 -1.26 -5.04 117.35 115.73 3req s TYR 64 Ca 0.66 -0.45 -0.33 0.00 -1.01 0.00 0.00 57.07 55.95 3req s TYR 64 Cb -0.21 -1.17 -0.15 0.00 -0.11 0.00 0.00 41.96 40.32 3req s TYR 64 CO 0.60 -0.12 1.23 0.00 -1.11 0.00 0.00 175.55 176.15 3req n ALA 65 N 2.93 -0.41 0.00 3.71 0.00 -1.26 -2.48 120.51 123.00 3req n ALA 65 Ca -0.17 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3req n ALA 65 Cb 0.53 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3req n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 66 N 2.13 2.73 3.73 0.00 0.00 -0.98 -4.47 105.19 108.33 3req n GLY 66 Ca 0.15 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3req n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3req s ILE 67 N -1.32 5.18 0.27 -0.61 1.01 -1.04 -4.81 121.20 119.89 3req s ILE 67 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.49 3req s ILE 67 Cb 0.00 -3.33 -0.15 0.00 0.01 0.00 0.00 42.46 38.99 3req s ILE 67 CO 0.00 0.49 0.62 -2.65 0.00 0.00 0.00 174.94 173.40 3req n PRO 68 N 3.15 0.45 -0.60 2.79 -0.02 -1.26 -3.01 135.00 136.50 3req n PRO 68 Ca -0.17 0.16 -0.11 0.00 -2.02 0.00 0.00 63.50 61.36 3req n PRO 68 Cb 0.53 -1.30 0.10 0.00 -0.02 0.00 0.00 33.50 32.80 3req n PRO 68 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3req n PRO 69 N 0.89 1.69 -3.50 0.52 -0.04 -1.26 -4.79 135.00 128.51 3req n PRO 69 Ca 0.14 -1.49 -0.21 0.00 -0.04 0.00 0.00 63.50 61.90 3req n PRO 69 Cb 0.30 -1.60 0.08 0.00 -0.04 0.00 0.00 33.50 32.24 3req n PRO 69 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3req n PHE 70 N -0.28 -2.59 0.01 0.54 3.72 -1.16 -3.43 117.46 114.27 3req n PHE 70 Ca 0.29 0.95 -0.04 0.00 -0.05 0.00 0.00 57.45 58.60 3req n PHE 70 Cb 1.06 -4.88 -0.11 0.00 -0.94 0.00 0.00 39.48 34.61 3req n PHE 70 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3req h VAL 71 N -2.39 0.74 0.00 -4.37 3.04 -1.85 -3.28 116.25 108.14 3req h VAL 71 Ca -0.55 -2.41 0.00 0.00 -1.01 0.00 0.00 66.70 62.73 3req h VAL 71 Cb 1.35 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 32.90 3req h VAL 71 CO 0.52 0.42 -0.58 0.45 -1.01 0.00 0.00 177.57 177.37 3req h HIS 72 N 0.00 0.00 0.00 3.17 3.86 -1.91 -3.43 115.15 116.84 3req h HIS 72 Ca -0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3req h HIS 72 Cb 1.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.26 3req h HIS 72 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3req n GLY 73 N 1.23 4.01 0.25 2.45 0.00 -1.24 -4.42 105.19 107.47 3req n GLY 73 Ca 0.02 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 45.00 3req n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3req h PRO 74 N 0.00 0.00 -6.17 1.61 0.13 -1.86 -2.59 132.00 123.13 3req h PRO 74 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 3req h PRO 74 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 3req h PRO 74 CO 0.00 0.14 -0.83 0.71 -0.23 0.00 0.00 178.00 177.79 3req s TYR 75 N -3.90 1.80 -0.46 1.56 2.02 -1.26 -4.80 117.35 112.31 3req s TYR 75 Ca -0.01 -0.41 0.23 0.00 -0.37 0.00 0.00 57.07 56.52 3req s TYR 75 Cb 0.11 -1.00 0.24 0.00 -0.40 0.00 0.00 41.96 40.91 3req s TYR 75 CO 0.59 0.19 1.29 0.00 -1.57 0.00 0.00 175.55 176.05 3req h ALA 76 N 4.22 0.64 0.00 3.71 0.00 -1.85 -3.30 119.26 122.69 3req h ALA 76 Ca -0.46 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 3req h ALA 76 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3req h ALA 76 CO 0.40 0.00 -2.15 0.25 0.00 0.00 0.00 179.25 177.75 3req n THR 77 N -2.49 0.78 0.00 0.00 -2.24 -1.26 -4.73 114.28 104.34 3req n THR 77 Ca 0.02 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3req n THR 77 Cb 0.49 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3req n THR 77 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3req n MET 78 N -2.55 0.00 -0.00 -0.78 2.81 -1.24 -2.93 117.12 112.42 3req n MET 78 Ca -0.19 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.77 3req n MET 78 Cb 0.89 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 33.29 3req n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3req n TYR 79 N 0.00 0.00 0.09 2.03 4.01 -1.26 -4.45 117.16 117.58 3req n TYR 79 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 3req n TYR 79 Cb 0.00 -0.18 0.68 0.00 -0.31 0.00 0.00 39.34 39.53 3req n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3req h ALA 80 N 1.71 2.32 -0.43 -0.72 0.00 -1.34 -3.08 119.26 117.71 3req h ALA 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3req h ALA 80 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3req h ALA 80 CO 0.00 -0.44 0.00 0.34 0.00 0.00 0.00 179.25 179.15 3req n PHE 81 N -4.40 0.00 -3.94 0.00 7.35 -1.26 -4.98 117.46 110.24 3req n PHE 81 Ca 0.05 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.41 3req n PHE 81 Cb 0.44 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.13 3req n PHE 81 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3req s ARG 82 N -0.86 1.77 0.81 -4.13 3.52 -1.25 -5.12 118.95 113.70 3req s ARG 82 Ca 0.00 -1.78 -0.14 0.00 -0.13 0.00 0.00 55.73 53.68 3req s ARG 82 Cb 0.00 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 3req s ARG 82 CO 0.00 -0.93 0.67 -2.30 -0.81 0.00 0.00 175.30 171.93 3req n PRO 83 N 4.40 0.11 -1.13 5.12 -0.02 -1.16 -4.63 135.00 137.69 3req n PRO 83 Ca -0.01 0.09 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 3req n PRO 83 Cb 0.42 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 31.94 3req n PRO 83 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3req n TRP 84 N -2.96 -3.61 -3.07 6.00 2.14 -1.26 -4.97 117.44 109.71 3req n TRP 84 Ca 0.10 0.22 -0.39 0.00 2.07 0.00 0.00 57.50 59.50 3req n TRP 84 Cb 0.51 -1.61 -0.05 0.00 -0.81 0.00 0.00 31.31 29.35 3req n TRP 84 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 3req s THR 85 N -2.00 4.74 -0.17 -1.67 2.01 -0.51 -4.96 115.64 113.07 3req s THR 85 Ca 0.51 1.49 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 3req s THR 85 Cb -0.33 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 3req s THR 85 CO 0.72 0.42 0.63 -0.63 -0.69 0.00 0.00 174.62 175.07 3req s ILE 86 N -0.32 5.03 -0.49 1.82 1.01 -1.26 -2.14 121.20 124.85 3req s ILE 86 Ca 0.35 1.21 0.04 0.00 0.00 0.00 0.00 60.65 62.26 3req s ILE 86 Cb -0.20 -3.95 0.17 0.00 0.01 0.00 0.00 42.46 38.48 3req s ILE 86 CO 0.21 0.14 0.37 -0.13 0.00 0.00 0.00 174.94 175.54 3req s ARG 87 N 1.67 1.32 -0.16 2.79 0.52 0.05 -4.89 118.95 120.25 3req s ARG 87 Ca 0.30 -2.42 -0.28 0.00 -0.52 0.00 0.00 55.73 52.82 3req s ARG 87 Cb -0.16 -1.98 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 3req s ARG 87 CO 0.11 -1.35 0.94 -0.65 0.02 0.00 0.00 175.30 174.37 3req s GLN 88 N -0.31 4.33 0.63 3.54 -1.52 -1.26 -3.67 119.66 121.40 3req s GLN 88 Ca 0.30 1.22 -0.08 0.00 -1.95 0.00 0.00 55.36 54.86 3req s GLN 88 Cb 0.00 -3.58 0.01 0.00 -0.22 0.00 0.00 33.01 29.22 3req s GLN 88 CO -0.18 -0.39 0.96 1.52 -0.25 0.00 0.00 175.29 176.95 3req s TYR 89 N 2.34 3.28 0.00 0.91 -0.85 -1.26 -5.06 117.35 116.71 3req s TYR 89 Ca 0.43 0.78 0.00 0.00 -0.52 0.00 0.00 57.07 57.76 3req s TYR 89 Cb -0.17 -2.85 0.00 0.00 0.38 0.00 0.00 41.96 39.33 3req s TYR 89 CO 0.13 -0.94 0.00 0.00 -1.52 0.00 0.00 175.55 173.22 3req n ALA 90 N -2.72 0.00 -0.78 9.51 0.00 -1.26 -5.15 120.51 120.12 3req n ALA 90 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 3req n ALA 90 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3req n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 91 N 0.00 -3.35 3.82 0.00 0.00 -1.26 -5.04 105.19 99.36 3req n GLY 91 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 3req n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3req s PHE 92 N -4.50 2.15 -0.13 1.61 0.08 -1.26 -5.04 117.98 110.89 3req s PHE 92 Ca 0.00 -0.72 0.12 0.00 0.12 0.00 0.00 56.93 56.45 3req s PHE 92 Cb 0.00 -1.92 -0.17 0.00 -0.57 0.00 0.00 43.02 40.37 3req s PHE 92 CO 0.00 -0.09 0.06 0.43 -0.10 0.00 0.00 175.22 175.52 3req n SER 93 N -1.47 1.70 -4.76 1.36 7.64 -1.26 -4.41 113.62 112.42 3req n SER 93 Ca -0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 3req n SER 93 Cb 0.64 0.86 0.07 0.00 -1.01 0.00 0.00 64.21 64.78 3req n SER 93 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3req s THR 94 N -2.35 3.10 -2.14 0.44 -4.23 -1.26 -3.52 115.64 105.68 3req s THR 94 Ca -0.07 0.45 0.26 0.00 -1.18 0.00 0.00 61.69 61.16 3req s THR 94 Cb 0.04 -2.93 0.33 0.00 1.34 0.00 0.00 72.50 71.28 3req s THR 94 CO 0.55 -0.38 1.56 0.00 -0.54 0.00 0.00 174.62 175.81 3req n ALA 95 N -2.93 2.90 -0.59 3.99 0.00 -1.26 -3.10 120.51 119.52 3req n ALA 95 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3req n ALA 95 Cb 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3req n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3req n LYS 96 N -0.14 0.76 -0.05 0.00 4.01 -1.26 -4.61 118.16 116.87 3req n LYS 96 Ca 0.14 -0.71 -0.00 0.00 -0.51 0.00 0.00 58.31 57.23 3req n LYS 96 Cb 0.38 -0.70 -0.14 0.00 -0.51 0.00 0.00 35.03 34.06 3req n LYS 96 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3req n GLU 97 N -0.15 0.90 0.04 1.97 4.07 -1.23 -3.54 120.64 122.70 3req n GLU 97 Ca 0.00 -0.08 -0.19 0.00 -0.06 0.00 0.00 57.16 56.82 3req n GLU 97 Cb 0.33 -1.44 -0.12 0.00 -0.06 0.00 0.00 31.44 30.14 3req n GLU 97 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3req h SER 98 N 0.00 0.63 0.24 4.31 0.02 -1.83 -2.39 113.55 114.54 3req h SER 98 Ca -0.25 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.88 3req h SER 98 Cb 1.51 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 3req h SER 98 CO 0.01 1.38 -0.50 -1.13 -1.14 0.00 0.00 176.83 175.45 3req h ASN 99 N -0.04 -1.47 -0.45 3.07 -0.00 -1.76 0.13 115.58 115.06 3req h ASN 99 Ca -0.12 0.14 0.04 0.00 -0.00 0.00 0.00 56.30 56.36 3req h ASN 99 Cb 1.56 0.52 -0.05 0.00 -0.00 0.00 0.00 38.32 40.35 3req h ASN 99 CO 0.16 -0.58 -0.27 0.00 -0.00 0.00 0.00 177.43 176.75 3req n ALA 100 N -2.87 -0.29 -0.19 1.57 0.00 -1.22 -1.48 120.51 116.02 3req n ALA 100 Ca -0.09 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.73 3req n ALA 100 Cb 0.41 0.14 0.08 0.00 0.00 0.00 0.00 19.45 20.08 3req n ALA 100 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3req h PHE 101 N 0.00 -0.14 -0.52 0.00 3.57 -1.27 -2.30 116.94 116.28 3req h PHE 101 Ca 0.07 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.70 3req h PHE 101 Cb 0.19 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3req h PHE 101 CO -0.85 -0.19 0.17 1.88 -2.23 0.00 0.00 178.31 177.10 3req h TYR 102 N 0.07 0.30 -0.46 0.41 0.05 0.17 0.94 116.97 118.45 3req h TYR 102 Ca 0.30 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.08 3req h TYR 102 Cb 0.48 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3req h TYR 102 CO -0.40 0.08 0.18 -0.09 -1.05 0.00 0.00 178.16 176.88 3req h ARG 103 N 0.34 0.70 -0.16 4.88 9.65 -0.96 -0.69 114.38 128.14 3req h ARG 103 Ca 0.26 -0.13 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3req h ARG 103 Cb 0.30 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 3req h ARG 103 CO -0.27 0.63 -0.11 0.00 2.80 0.00 0.00 179.97 183.02 3req h ARG 104 N 0.61 -0.12 -0.78 0.20 3.08 -0.94 0.02 114.38 116.46 3req h ARG 104 Ca 0.15 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.30 3req h ARG 104 Cb 0.20 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 3req h ARG 104 CO -0.01 -0.08 0.44 -0.91 -1.07 0.00 0.00 179.97 178.34 3req h ASN 105 N -0.12 0.64 0.45 7.04 2.35 -0.64 -0.72 115.58 124.58 3req h ASN 105 Ca 0.10 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3req h ASN 105 Cb 0.26 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3req h ASN 105 CO -0.23 0.38 -0.52 0.25 -1.65 0.00 0.00 177.43 175.66 3req h LEU 106 N 0.77 -1.44 -0.03 1.61 5.85 -0.70 -1.79 115.31 119.58 3req h LEU 106 Ca 0.37 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3req h LEU 106 Cb 0.31 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3req h LEU 106 CO -0.23 -0.66 -0.04 0.00 -0.34 0.00 0.00 178.44 177.17 3req h ALA 107 N -0.84 -0.34 -0.99 1.25 0.00 -0.67 -2.85 119.26 114.83 3req h ALA 107 Ca -0.05 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.01 3req h ALA 107 Cb 0.87 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 19.23 3req h ALA 107 CO -0.10 -0.36 -0.37 0.00 0.00 0.00 0.00 179.25 178.42 3req h ALA 108 N -1.20 0.23 0.00 0.00 0.00 -1.21 -3.46 119.26 113.62 3req h ALA 108 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3req h ALA 108 Cb 0.05 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3req h ALA 108 CO -0.05 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.03 3req n GLY 109 N -1.50 0.93 3.77 0.00 0.00 -0.68 -5.09 105.19 102.62 3req n GLY 109 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3req n GLY 109 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3req s GLN 110 N 0.00 4.16 0.01 1.61 1.03 -1.15 -4.92 119.66 120.40 3req s GLN 110 Ca 0.00 2.50 -0.13 0.00 0.04 0.00 0.00 55.36 57.78 3req s GLN 110 Cb 0.00 -3.00 -0.33 0.00 0.03 0.00 0.00 33.01 29.71 3req s GLN 110 CO 0.00 -0.48 0.92 -0.22 -2.54 0.00 0.00 175.29 172.97 3req h LYS 111 N 3.33 0.46 -7.16 9.60 3.64 -1.88 -3.39 116.57 121.17 3req h LYS 111 Ca -0.50 -0.78 -0.54 0.00 -1.27 0.00 0.00 60.65 57.56 3req h LYS 111 Cb 1.23 0.29 0.18 0.00 -0.41 0.00 0.00 32.23 33.53 3req h LYS 111 CO 0.66 1.37 0.28 0.41 -2.27 0.00 0.00 179.45 179.90 3req n GLY 112 N 1.74 -0.12 3.64 5.01 0.00 -1.26 -2.01 105.19 112.18 3req n GLY 112 Ca -0.18 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 3req n GLY 112 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3req s LEU 113 N -5.27 -0.43 -0.10 0.99 0.05 -0.63 -4.86 118.68 108.43 3req s LEU 113 Ca 0.73 0.75 0.04 0.00 0.05 0.00 0.00 54.13 55.70 3req s LEU 113 Cb -0.29 1.73 -0.00 0.00 -2.05 0.00 0.00 46.19 45.57 3req s LEU 113 CO 0.51 -0.12 -0.22 -0.44 -0.55 0.00 0.00 176.35 175.53 3req s SER 114 N 0.74 3.24 -0.08 1.48 0.01 -1.26 0.13 113.70 117.96 3req s SER 114 Ca -0.02 -0.52 -0.14 0.00 1.31 0.00 0.00 55.95 56.58 3req s SER 114 Cb -0.04 -1.38 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 3req s SER 114 CO -0.11 0.17 0.36 -0.69 0.41 0.00 0.00 173.24 173.38 3req s VAL 115 N 0.28 5.18 -0.16 3.43 1.01 -1.13 -4.70 120.40 124.31 3req s VAL 115 Ca -0.16 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 3req s VAL 115 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3req s VAL 115 CO 0.08 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 175.66 3req s ALA 116 N -0.37 3.14 0.01 5.51 0.00 -1.26 -3.90 121.76 124.89 3req s ALA 116 Ca 0.21 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3req s ALA 116 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3req s ALA 116 CO 0.09 0.22 0.04 -0.06 0.00 0.00 0.00 175.76 176.05 3req s PHE 117 N 0.32 3.18 0.99 0.00 0.40 -1.26 0.24 117.98 121.84 3req s PHE 117 Ca -0.02 0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3req s PHE 117 Cb -0.14 -1.69 0.18 0.00 0.51 0.00 0.00 43.02 41.89 3req s PHE 117 CO 0.02 0.51 1.08 0.16 0.70 0.00 0.00 175.22 177.69 3req s ASP 118 N -1.73 2.63 0.05 1.36 -4.77 -0.73 -3.74 116.67 109.74 3req s ASP 118 Ca 0.22 1.43 -0.31 0.00 -3.30 0.00 0.00 52.55 50.59 3req s ASP 118 Cb -0.12 -2.11 -0.18 0.00 -1.09 0.00 0.00 42.92 39.42 3req s ASP 118 CO 0.13 -3.16 1.45 -0.07 0.70 0.00 0.00 175.17 174.22 3req h LEU 119 N -1.91 -0.79 -0.68 2.11 3.38 -1.90 -2.96 115.31 112.56 3req h LEU 119 Ca -0.53 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.50 3req h LEU 119 Cb 1.31 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 3req h LEU 119 CO 0.54 -0.50 -0.40 -2.65 0.09 0.00 0.00 178.44 175.52 3req n PRO 120 N -5.45 -0.30 -0.18 1.13 -0.02 -1.26 -1.46 135.00 127.45 3req n PRO 120 Ca -0.13 1.19 -0.10 0.00 -2.02 0.00 0.00 63.50 62.44 3req n PRO 120 Cb 0.39 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 3req n PRO 120 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3req h THR 121 N 0.00 0.06 -1.07 3.45 2.02 -1.70 -2.71 112.91 112.96 3req h THR 121 Ca 0.11 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.61 3req h THR 121 Cb 0.28 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 66.62 3req h THR 121 CO -0.64 0.00 0.65 0.45 0.37 0.00 0.00 175.52 176.35 3req h HIS 122 N -0.28 0.80 -0.93 3.16 3.86 -1.08 -2.54 115.15 118.14 3req h HIS 122 Ca 0.14 0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.77 3req h HIS 122 Cb 0.57 -0.22 -0.30 0.00 1.06 0.00 0.00 27.41 28.52 3req h HIS 122 CO -0.71 -0.10 0.56 0.54 0.86 0.00 0.00 177.93 179.08 3req n ARG 123 N -4.87 2.71 -4.09 2.45 5.12 -1.05 -1.95 116.66 115.00 3req n ARG 123 Ca 0.31 -3.37 -0.31 0.00 -1.93 0.00 0.00 57.85 52.54 3req n ARG 123 Cb 1.02 -2.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.05 3req n ARG 123 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3req n GLY 124 N -0.93 -0.37 3.45 -0.13 0.00 -0.96 -5.01 105.19 101.24 3req n GLY 124 Ca 0.58 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 3req n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3req s TYR 125 N -3.55 2.34 0.00 1.61 2.02 -1.05 -4.02 117.35 114.69 3req s TYR 125 Ca 0.45 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 3req s TYR 125 Cb -0.24 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 3req s TYR 125 CO 0.90 0.55 0.00 -0.25 -1.57 0.00 0.00 175.55 175.18 3req n ASP 126 N 0.03 0.00 -1.62 2.29 8.00 -1.26 -4.08 116.55 119.91 3req n ASP 126 Ca -0.11 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.25 3req n ASP 126 Cb 0.57 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.74 3req n ASP 126 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3req n SER 127 N -2.99 3.86 0.00 -2.24 7.64 -1.26 -4.16 113.62 114.48 3req n SER 127 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.14 3req n SER 127 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3req n SER 127 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3req n ASP 128 N -0.82 0.21 -4.77 6.43 5.75 -1.26 -4.40 116.55 117.69 3req n ASP 128 Ca 0.35 -1.03 -0.39 0.00 -0.01 0.00 0.00 54.79 53.71 3req n ASP 128 Cb 0.89 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.92 3req n ASP 128 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3req s ASN 129 N -0.03 7.20 0.00 -1.12 3.84 -1.26 -5.04 114.94 118.54 3req s ASN 129 Ca 0.00 1.43 -0.01 0.00 0.21 0.00 0.00 52.86 54.49 3req s ASN 129 Cb 0.00 -2.44 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 3req s ASN 129 CO 0.00 0.12 1.02 -0.65 -2.79 0.00 0.00 177.10 174.80 3req h PRO 130 N 5.11 -0.03 -0.46 0.43 0.11 -1.96 -3.27 132.00 131.93 3req h PRO 130 Ca -0.46 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3req h PRO 130 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3req h PRO 130 CO 0.68 -0.02 -0.27 0.54 -0.21 0.00 0.00 178.00 178.72 3req n ARG 131 N -2.45 -0.20 0.26 1.05 1.74 -1.26 -2.38 116.66 113.43 3req n ARG 131 Ca -0.00 1.04 0.18 0.00 -0.77 0.00 0.00 57.85 58.30 3req n ARG 131 Cb 0.02 -1.54 0.92 0.00 -1.02 0.00 0.00 32.46 30.83 3req n ARG 131 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3req h VAL 132 N 0.00 0.29 -1.39 1.55 -1.51 -1.91 -3.42 116.25 109.85 3req h VAL 132 Ca 0.07 0.00 0.42 0.00 -1.23 0.00 0.00 66.70 65.96 3req h VAL 132 Cb 0.19 0.85 -0.09 0.00 -2.13 0.00 0.00 31.29 30.11 3req h VAL 132 CO -0.43 0.00 0.95 0.00 -1.23 0.00 0.00 177.57 176.86 3req h ALA 133 N 1.75 3.01 -0.44 5.19 0.00 -1.52 -2.46 119.26 124.78 3req h ALA 133 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3req h ALA 133 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3req h ALA 133 CO -0.00 -1.52 0.00 0.41 0.00 0.00 0.00 179.25 178.14 3req n GLY 134 N -1.67 1.48 0.01 0.00 0.00 -1.26 -4.11 105.19 99.65 3req n GLY 134 Ca 0.34 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.86 3req n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3req n ASP 135 N 0.76 3.22 -4.65 1.61 8.00 -0.93 -4.96 116.55 119.60 3req n ASP 135 Ca 0.16 0.00 -0.50 0.00 0.71 0.00 0.00 54.79 55.16 3req n ASP 135 Cb 0.50 1.21 -0.05 0.00 -0.02 0.00 0.00 41.12 42.76 3req n ASP 135 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3req n VAL 136 N -1.87 0.13 -3.39 2.53 0.31 -1.24 -3.23 118.33 111.57 3req n VAL 136 Ca -0.04 -0.02 -0.25 0.00 -0.01 0.00 0.00 64.34 64.03 3req n VAL 136 Cb 0.31 -1.30 0.02 0.00 -0.91 0.00 0.00 33.84 31.97 3req n VAL 136 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3req n GLY 137 N 3.35 -0.51 0.00 2.92 0.00 -1.26 -4.83 105.19 104.87 3req n GLY 137 Ca 0.19 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3req n GLY 137 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3req n MET 138 N -4.15 0.88 0.00 1.61 0.00 -1.20 -4.69 117.12 109.57 3req n MET 138 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 57.70 57.65 3req n MET 138 Cb 0.57 -0.19 -0.11 0.00 0.00 0.00 0.00 33.22 33.48 3req n MET 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3req n ALA 139 N -0.13 1.98 0.00 3.17 0.00 -1.26 -4.96 120.51 119.31 3req n ALA 139 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3req n ALA 139 Cb 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3req n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 140 N 1.44 -0.58 3.78 0.00 0.00 -1.24 -4.67 105.19 103.92 3req n GLY 140 Ca -0.13 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3req n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3req s VAL 141 N -3.28 4.44 -0.09 1.61 1.01 0.14 -3.70 120.40 120.52 3req s VAL 141 Ca 0.00 1.61 -0.23 0.00 0.00 0.00 0.00 61.98 63.36 3req s VAL 141 Cb 0.00 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3req s VAL 141 CO 0.00 0.53 0.68 0.00 0.00 0.00 0.00 175.10 176.31 3req s ALA 142 N -1.12 3.39 -0.55 5.51 0.00 -1.26 -1.77 121.76 125.95 3req s ALA 142 Ca 0.34 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3req s ALA 142 Cb -0.22 -2.96 0.14 0.00 0.00 0.00 0.00 23.12 20.08 3req s ALA 142 CO 0.25 -0.19 0.31 0.42 0.00 0.00 0.00 175.76 176.54 3req s ILE 143 N 1.03 2.53 0.02 0.00 -1.09 -1.26 -4.85 121.20 117.59 3req s ILE 143 Ca 0.36 -3.47 0.09 0.00 -2.23 0.00 0.00 60.65 55.40 3req s ILE 143 Cb -0.17 -2.74 -0.23 0.00 -1.58 0.00 0.00 42.46 37.74 3req s ILE 143 CO 0.16 -0.86 0.90 0.44 -1.23 0.00 0.00 174.94 174.35 3req h ASP 144 N 6.26 0.05 -2.36 3.58 3.32 -1.95 -3.43 116.42 121.89 3req h ASP 144 Ca -0.02 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3req h ASP 144 Cb 0.86 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3req h ASP 144 CO 0.68 1.06 0.10 -1.54 -1.72 0.00 0.00 179.24 177.82 3req n SER 145 N -3.20 -1.22 -0.14 6.45 3.41 -1.26 0.23 113.62 117.89 3req n SER 145 Ca -0.11 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 3req n SER 145 Cb 1.01 2.08 0.27 0.00 -0.26 0.00 0.00 64.21 67.31 3req n SER 145 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3req h ILE 146 N 1.59 1.18 0.15 -1.33 6.09 -1.86 -3.08 117.51 120.25 3req h ILE 146 Ca -0.19 -0.47 0.02 0.00 -1.37 0.00 0.00 64.86 62.85 3req h ILE 146 Cb 0.72 0.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.36 3req h ILE 146 CO 0.24 0.20 -0.28 1.88 -3.07 0.00 0.00 178.15 177.13 3req h TYR 147 N 0.84 -0.75 0.00 2.19 0.05 -1.97 0.20 116.97 117.53 3req h TYR 147 Ca 0.21 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3req h TYR 147 Cb 0.03 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3req h TYR 147 CO 0.01 -0.39 0.00 -0.25 -1.05 0.00 0.00 178.16 176.48 3req n ASP 148 N -5.39 0.00 -0.10 3.88 8.00 -1.17 -0.77 116.55 121.01 3req n ASP 148 Ca -0.07 0.90 -0.06 0.00 0.71 0.00 0.00 54.79 56.27 3req n ASP 148 Cb 0.30 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 41.00 3req n ASP 148 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3req h MET 149 N 0.00 0.12 -0.16 -1.24 4.05 -1.56 -1.82 114.93 114.32 3req h MET 149 Ca 0.00 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3req h MET 149 Cb 0.00 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 3req h MET 149 CO 0.00 0.08 -0.16 -0.09 0.23 0.00 0.00 176.91 176.97 3req h ARG 150 N 0.12 -0.07 -0.62 0.39 2.43 -0.45 -2.30 114.38 113.88 3req h ARG 150 Ca 0.17 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3req h ARG 150 Cb 0.22 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 3req h ARG 150 CO -0.26 -0.05 -0.36 -1.91 -1.51 0.00 0.00 179.97 175.88 3req n GLU 151 N -3.49 -0.27 -0.23 0.20 2.13 0.05 -0.14 120.64 118.89 3req n GLU 151 Ca -0.01 1.24 -0.05 0.00 0.66 0.00 0.00 57.16 59.00 3req n GLU 151 Cb 0.09 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 29.97 3req n GLU 151 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3req h LEU 152 N 0.00 -1.27 -1.63 4.31 5.85 -0.98 -2.75 115.31 118.83 3req h LEU 152 Ca 0.10 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3req h LEU 152 Cb 0.25 0.62 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3req h LEU 152 CO -0.58 -0.31 0.00 0.49 -0.34 0.00 0.00 178.44 177.70 3req n PHE 153 N -5.43 0.41 -2.00 1.25 3.72 -0.90 -4.35 117.46 110.16 3req n PHE 153 Ca 0.04 -0.20 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 3req n PHE 153 Cb 0.36 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 3req n PHE 153 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3req s ALA 154 N -1.59 3.70 0.00 4.37 0.00 0.80 -2.39 121.76 126.64 3req s ALA 154 Ca 0.34 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3req s ALA 154 Cb 0.19 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3req s ALA 154 CO 0.26 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3req n GLY 155 N 3.27 0.56 3.18 0.00 0.00 -1.26 -5.01 105.19 105.94 3req n GLY 155 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3req n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3req s ILE 156 N -2.17 2.37 -0.08 -0.61 -1.09 -1.01 -4.95 121.20 113.67 3req s ILE 156 Ca 0.00 -0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 3req s ILE 156 Cb 0.00 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.82 3req s ILE 156 CO 0.00 0.52 1.61 -2.16 -1.23 0.00 0.00 174.94 173.68 3req s PRO 157 N 1.17 4.15 0.00 2.79 0.04 -1.26 -4.93 135.00 136.96 3req s PRO 157 Ca 0.02 2.08 0.20 0.00 0.04 0.00 0.00 61.00 63.34 3req s PRO 157 Cb -0.14 -3.97 0.56 0.00 0.04 0.00 0.00 34.50 30.99 3req s PRO 157 CO -0.08 -0.88 1.47 1.28 0.04 0.00 0.00 177.00 178.84 3req n LEU 158 N 7.21 3.40 -0.51 -3.56 4.77 -1.26 -3.75 117.00 123.30 3req n LEU 158 Ca 0.17 -1.68 0.09 0.00 -0.03 0.00 0.00 56.01 54.56 3req n LEU 158 Cb 0.43 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3req n LEU 158 CO 0.62 0.84 0.36 -0.90 -1.33 0.00 0.00 177.39 176.98 3req n ASP 159 N 1.37 2.00 0.00 -1.43 5.75 -1.26 -4.09 116.55 118.88 3req n ASP 159 Ca 0.21 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 3req n ASP 159 Cb 0.54 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 3req n ASP 159 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3req n GLN 160 N 0.28 0.25 -4.40 0.11 6.02 -1.26 -4.88 117.38 113.49 3req n GLN 160 Ca 0.08 -0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 56.15 3req n GLN 160 Cb 0.40 -0.82 -0.16 0.00 1.02 0.00 0.00 30.24 30.68 3req n GLN 160 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3req s MET 161 N -0.22 2.98 -0.61 -1.09 -1.94 -1.25 -4.84 119.30 112.34 3req s MET 161 Ca 0.00 -0.83 -0.23 0.00 -1.71 0.00 0.00 55.69 52.92 3req s MET 161 Cb 0.00 -2.48 0.06 0.00 2.01 0.00 0.00 34.83 34.42 3req s MET 161 CO 0.00 -0.11 0.92 -1.12 -0.01 0.00 0.00 175.02 174.70 3req s SER 162 N 1.05 6.23 -0.33 3.03 0.01 -0.85 -4.55 113.70 118.29 3req s SER 162 Ca -0.01 -0.76 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 3req s SER 162 Cb -0.14 -2.41 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 3req s SER 162 CO -0.07 -1.31 0.68 -0.69 0.41 0.00 0.00 173.24 172.25 3req s VAL 163 N 3.88 4.87 -0.41 3.43 1.01 -0.85 -1.60 120.40 130.72 3req s VAL 163 Ca 0.24 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 3req s VAL 163 Cb -0.16 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3req s VAL 163 CO 0.13 -0.27 0.28 -0.55 0.00 0.00 0.00 175.10 174.70 3req s SER 164 N 1.72 5.92 -0.12 3.32 0.15 0.12 -2.65 113.70 122.16 3req s SER 164 Ca 0.27 -1.12 -0.07 0.00 0.70 0.00 0.00 55.95 55.73 3req s SER 164 Cb -0.14 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3req s SER 164 CO 0.14 -0.49 0.13 -0.04 1.20 0.00 0.00 173.24 174.19 3req s MET 165 N 1.59 3.47 -0.82 5.44 -1.94 0.19 -2.84 119.30 124.40 3req s MET 165 Ca 0.03 -0.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.89 3req s MET 165 Cb -0.21 -3.19 0.28 0.00 2.01 0.00 0.00 34.83 33.72 3req s MET 165 CO 0.07 0.75 1.07 -2.37 -0.01 0.00 0.00 175.02 174.52 3req n THR 166 N 2.08 3.63 -4.15 2.05 5.66 -1.25 -2.29 114.28 120.01 3req n THR 166 Ca -0.20 -5.54 -0.22 0.00 -3.05 0.00 0.00 64.05 55.05 3req n THR 166 Cb 0.55 -2.05 -0.17 0.00 -1.55 0.00 0.00 70.33 67.11 3req n THR 166 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3req s MET 167 N -2.70 1.01 0.00 1.09 0.00 -1.26 -4.77 119.30 112.68 3req s MET 167 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 55.69 55.92 3req s MET 167 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 34.83 33.92 3req s MET 167 CO 0.03 -0.11 0.00 0.09 0.00 0.00 0.00 175.02 175.02 3req n ASN 168 N 4.26 4.07 0.00 1.11 5.03 -1.26 -2.65 115.26 125.82 3req n ASN 168 Ca -0.21 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.24 3req n ASN 168 Cb 0.51 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 3req n ASN 168 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3req n GLY 169 N 2.78 -1.64 2.03 7.41 0.00 -1.26 -4.31 105.19 110.20 3req n GLY 169 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3req n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req n ALA 170 N -0.82 5.48 0.27 4.61 0.00 -0.82 -4.73 120.51 124.49 3req n ALA 170 Ca 0.00 -1.93 0.12 0.00 0.00 0.00 0.00 53.44 51.63 3req n ALA 170 Cb 0.00 -1.61 0.75 0.00 0.00 0.00 0.00 19.45 18.59 3req n ALA 170 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3req h VAL 171 N 1.32 0.65 0.11 0.00 -1.51 -1.88 -2.82 116.25 112.13 3req h VAL 171 Ca 0.29 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 3req h VAL 171 Cb 0.90 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3req h VAL 171 CO 0.71 0.08 -0.05 -0.07 -1.23 0.00 0.00 177.57 177.02 3req h LEU 172 N 0.00 -0.12 0.00 4.19 3.38 -1.95 -3.07 115.31 117.74 3req h LEU 172 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3req h LEU 172 Cb 0.21 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3req h LEU 172 CO 0.01 0.49 0.00 -0.81 0.09 0.00 0.00 178.44 178.23 3req n PRO 173 N -4.84 0.66 -0.04 1.13 -0.04 -1.24 -1.90 135.00 128.73 3req n PRO 173 Ca -0.06 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 3req n PRO 173 Cb 0.24 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 3req n PRO 173 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3req n ILE 174 N -1.07 0.55 0.12 0.52 2.08 -1.06 -4.09 119.36 116.42 3req n ILE 174 Ca 0.17 -0.33 0.08 0.00 0.56 0.00 0.00 62.75 63.22 3req n ILE 174 Cb 0.11 -0.79 0.03 0.00 -0.75 0.00 0.00 39.64 38.24 3req n ILE 174 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 3req h LEU 175 N 0.00 0.00 -0.54 1.39 5.85 -1.52 -3.27 115.31 117.22 3req h LEU 175 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3req h LEU 175 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 3req h LEU 175 CO 0.01 0.20 -0.30 0.00 -0.34 0.00 0.00 178.44 178.01 3req n ALA 176 N -2.21 3.17 1.00 1.25 0.00 -0.80 -3.28 120.51 119.65 3req n ALA 176 Ca -0.01 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.10 3req n ALA 176 Cb 0.63 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 3req n ALA 176 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3req n LEU 177 N -0.60 1.21 0.05 0.00 4.77 -1.25 -3.74 117.00 117.45 3req n LEU 177 Ca 0.12 -0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 55.35 3req n LEU 177 Cb 0.36 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 3req n LEU 177 CO 0.27 0.27 -0.02 0.22 -1.33 0.00 0.00 177.39 176.80 3req h TYR 178 N 0.53 0.57 0.65 -1.77 3.20 -1.61 -3.17 116.97 115.38 3req h TYR 178 Ca 0.00 -0.42 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 3req h TYR 178 Cb 0.55 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.81 3req h TYR 178 CO 0.00 1.35 -0.31 0.28 -1.64 0.00 0.00 178.16 177.84 3req h VAL 179 N -0.32 0.36 -0.58 1.81 2.07 -1.67 -0.99 116.25 116.92 3req h VAL 179 Ca -0.17 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3req h VAL 179 Cb 1.70 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.72 3req h VAL 179 CO 0.15 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.94 3req h VAL 180 N -0.89 0.13 -0.48 2.57 2.07 -1.73 0.28 116.25 118.19 3req h VAL 180 Ca -0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3req h VAL 180 Cb 0.68 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 3req h VAL 180 CO 0.15 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.47 3req h THR 181 N -0.20 0.61 -0.51 2.57 2.02 -1.51 -1.15 112.91 114.75 3req h THR 181 Ca 0.21 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.25 3req h THR 181 Cb 0.56 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3req h THR 181 CO -0.68 0.02 -0.08 0.00 0.37 0.00 0.00 175.52 175.14 3req h ALA 182 N 1.44 0.90 0.00 6.16 0.00 0.26 -3.19 119.26 124.82 3req h ALA 182 Ca 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3req h ALA 182 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3req h ALA 182 CO -0.41 0.64 0.00 1.49 0.00 0.00 0.00 179.25 180.96 3req h GLU 183 N 0.83 0.00 -0.02 0.00 4.81 -0.22 -1.38 114.58 118.60 3req h GLU 183 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3req h GLU 183 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3req h GLU 183 CO 0.04 0.00 -0.16 -0.85 -0.73 0.00 0.00 179.01 177.31 3req n GLU 184 N -2.54 1.63 -0.10 1.92 0.28 -0.46 -4.33 120.64 117.04 3req n GLU 184 Ca 0.03 -1.34 0.05 0.00 -0.16 0.00 0.00 57.16 55.74 3req n GLU 184 Cb 0.34 -1.36 0.10 0.00 1.43 0.00 0.00 31.44 31.95 3req n GLU 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3req n GLN 185 N 0.61 2.00 0.00 3.44 10.64 -1.16 -4.99 117.38 127.92 3req n GLN 185 Ca 0.10 -1.65 0.00 0.00 -1.83 0.00 0.00 57.00 53.62 3req n GLN 185 Cb 0.44 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 3req n GLN 185 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3req n GLY 186 N 0.41 2.32 3.91 2.61 0.00 -1.20 -5.09 105.19 108.16 3req n GLY 186 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3req n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3req s VAL 187 N -2.27 4.98 0.20 1.61 1.01 -0.53 -4.99 120.40 120.40 3req s VAL 187 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3req s VAL 187 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3req s VAL 187 CO 0.00 -0.65 -0.16 -0.54 0.00 0.00 0.00 175.10 173.76 3req s LYS 188 N -4.34 1.33 0.13 2.72 3.01 -1.26 -3.05 119.74 118.27 3req s LYS 188 Ca 0.45 -1.54 0.01 0.00 -1.01 0.00 0.00 55.97 53.88 3req s LYS 188 Cb -0.10 -1.22 0.32 0.00 -1.01 0.00 0.00 37.83 35.82 3req s LYS 188 CO 0.39 0.22 0.62 -2.30 0.51 0.00 0.00 175.35 174.79 3req n PRO 189 N -0.18 -0.03 0.00 -1.68 -0.02 -1.26 -1.02 135.00 130.81 3req n PRO 189 Ca -0.09 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 3req n PRO 189 Cb 0.59 -0.95 0.74 0.00 -0.02 0.00 0.00 33.50 33.86 3req n PRO 189 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3req n GLU 190 N -4.36 1.13 -0.06 -0.52 4.71 -1.20 -3.90 120.64 116.43 3req n GLU 190 Ca 0.10 -0.35 -0.04 0.00 -0.01 0.00 0.00 57.16 56.86 3req n GLU 190 Cb 0.32 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 3req n GLU 190 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3req h GLN 191 N 0.85 0.00 -0.75 3.49 4.20 -1.42 -3.41 115.11 118.07 3req h GLN 191 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3req h GLN 191 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3req h GLN 191 CO 0.00 0.26 0.10 1.28 -0.67 0.00 0.00 178.83 179.79 3req n LEU 192 N -4.71 0.14 -4.39 1.46 4.77 -1.25 -4.74 117.00 108.27 3req n LEU 192 Ca -0.04 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 3req n LEU 192 Cb 0.16 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 3req n LEU 192 CO 0.09 -0.10 -0.40 0.00 -1.33 0.00 0.00 177.39 175.65 3req s ALA 193 N 0.42 2.80 0.00 -1.18 0.00 -1.26 -3.85 121.76 118.70 3req s ALA 193 Ca 0.13 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3req s ALA 193 Cb -0.19 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3req s ALA 193 CO 0.10 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3req n GLY 194 N 3.90 -1.23 2.86 0.00 0.00 -1.26 -2.01 105.19 107.45 3req n GLY 194 Ca -0.18 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 3req n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3req s THR 195 N -3.00 -0.04 -0.04 2.61 2.01 -1.08 0.01 115.64 116.11 3req s THR 195 Ca 0.00 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.20 3req s THR 195 Cb 0.00 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 3req s THR 195 CO 0.00 0.06 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.30 3req s ILE 196 N 0.85 2.73 0.01 1.82 2.07 0.72 -0.63 121.20 128.77 3req s ILE 196 Ca -0.07 -0.86 -0.16 0.00 -1.41 0.00 0.00 60.65 58.15 3req s ILE 196 Cb -0.09 -2.04 -0.09 0.00 0.13 0.00 0.00 42.46 40.37 3req s ILE 196 CO -0.03 0.58 0.95 -0.61 -1.91 0.00 0.00 174.94 173.92 3req h GLN 197 N 5.36 -0.55 -6.26 3.50 4.15 -1.58 -3.23 115.11 116.49 3req h GLN 197 Ca -0.45 0.04 -0.45 0.00 0.77 0.00 0.00 58.65 58.55 3req h GLN 197 Cb 1.14 0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.97 3req h GLN 197 CO 0.49 -0.36 -0.86 -1.71 -1.93 0.00 0.00 178.83 174.46 3req n ASN 198 N -3.98 -1.09 -3.93 -0.69 4.05 -1.08 -2.47 115.26 106.07 3req n ASN 198 Ca -0.07 -0.91 -0.29 0.00 0.45 0.00 0.00 54.58 53.76 3req n ASN 198 Cb 0.22 -3.60 -0.11 0.00 1.23 0.00 0.00 39.78 37.52 3req n ASN 198 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3req s ASP 199 N -4.31 4.96 0.09 1.20 -1.08 -1.26 -4.82 116.67 111.45 3req s ASP 199 Ca 0.03 -3.78 -0.14 0.00 -0.52 0.00 0.00 52.55 48.14 3req s ASP 199 Cb -0.01 -1.68 -0.13 0.00 -1.46 0.00 0.00 42.92 39.64 3req s ASP 199 CO 0.85 -0.11 1.34 -0.29 0.52 0.00 0.00 175.17 177.48 3req h ILE 200 N 4.43 1.30 -0.98 4.11 6.09 -1.91 -3.19 117.51 127.35 3req h ILE 200 Ca 0.13 -1.76 0.10 0.00 -1.37 0.00 0.00 64.86 61.96 3req h ILE 200 Cb 0.77 1.85 -0.13 0.00 0.47 0.00 0.00 36.82 39.79 3req h ILE 200 CO 0.73 0.56 -0.54 0.18 -3.07 0.00 0.00 178.15 176.01 3req n LEU 201 N -4.09 -0.96 0.00 2.19 4.77 -1.26 -0.34 117.00 117.30 3req n LEU 201 Ca -0.06 1.74 0.07 0.00 -0.03 0.00 0.00 56.01 57.74 3req n LEU 201 Cb 0.62 -0.26 0.44 0.00 -2.33 0.00 0.00 43.42 41.90 3req n LEU 201 CO 0.49 -1.45 0.66 2.29 -1.33 0.00 0.00 177.39 178.05 3req n LYS 202 N -5.27 0.56 -0.07 3.23 -0.00 -1.21 -2.79 118.16 112.62 3req n LYS 202 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.23 3req n LYS 202 Cb 0.28 -1.41 -0.10 0.00 -0.00 0.00 0.00 35.03 33.80 3req n LYS 202 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3req h GLU 203 N 0.00 0.00 0.03 -1.58 4.39 -0.73 -2.63 114.58 114.05 3req h GLU 203 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3req h GLU 203 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3req h GLU 203 CO 0.00 0.75 -0.03 0.74 -1.16 0.00 0.00 179.01 179.31 3req h PHE 204 N -1.00 -0.09 0.00 4.33 0.04 -1.44 0.16 116.94 118.94 3req h PHE 204 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3req h PHE 204 Cb 0.82 0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.00 3req h PHE 204 CO 0.18 -0.04 0.00 0.00 -0.60 0.00 0.00 178.31 177.84 3req n MET 205 N -2.49 0.00 -0.09 1.51 0.00 -1.22 -4.60 117.12 110.23 3req n MET 205 Ca -0.01 0.36 -0.12 0.00 0.00 0.00 0.00 57.70 57.93 3req n MET 205 Cb 0.03 -0.96 -0.10 0.00 0.00 0.00 0.00 33.22 32.19 3req n MET 205 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3req n VAL 206 N -0.81 1.12 0.14 3.17 0.24 -1.18 -4.82 118.33 116.18 3req n VAL 206 Ca 0.00 -0.53 0.02 0.00 -2.04 0.00 0.00 64.34 61.80 3req n VAL 206 Cb 0.00 -0.97 0.02 0.00 -1.47 0.00 0.00 33.84 31.42 3req n VAL 206 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3req h ARG 207 N 0.00 0.00 -5.68 7.34 2.43 -1.38 -3.47 114.38 113.62 3req h ARG 207 Ca -0.44 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.40 3req h ARG 207 Cb 1.80 0.00 0.16 0.00 -0.42 0.00 0.00 29.97 31.51 3req h ARG 207 CO -0.03 0.51 -0.80 0.09 -1.51 0.00 0.00 179.97 178.23 3req n ASN 208 N -3.22 -2.84 -0.37 -3.80 3.02 0.54 -4.76 115.26 103.83 3req n ASN 208 Ca 0.02 -0.67 0.03 0.00 -0.03 0.00 0.00 54.58 53.93 3req n ASN 208 Cb 0.74 -4.98 0.04 0.00 -0.61 0.00 0.00 39.78 34.97 3req n ASN 208 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3req n THR 209 N -3.98 0.56 -0.84 3.41 -2.24 -1.26 -4.77 114.28 105.16 3req n THR 209 Ca -0.25 -0.67 -0.31 0.00 -2.27 0.00 0.00 64.05 60.55 3req n THR 209 Cb 0.66 0.28 0.15 0.00 -2.10 0.00 0.00 70.33 69.33 3req n THR 209 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3req s TYR 210 N -0.85 1.85 0.00 4.78 -0.85 -1.26 -4.16 117.35 116.86 3req s TYR 210 Ca 0.09 1.68 0.00 0.00 -0.52 0.00 0.00 57.07 58.32 3req s TYR 210 Cb 0.08 -3.25 0.00 0.00 0.38 0.00 0.00 41.96 39.17 3req s TYR 210 CO 0.01 -2.63 0.00 -0.89 -1.52 0.00 0.00 175.55 170.52 3req n ILE 211 N -4.10 0.00 -3.20 -3.49 5.41 -1.26 -4.87 119.36 107.84 3req n ILE 211 Ca 0.10 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.52 3req n ILE 211 Cb 0.53 -0.57 -0.06 0.00 -0.71 0.00 0.00 39.64 38.82 3req n ILE 211 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3req s TYR 212 N -0.35 3.48 0.85 1.39 2.02 -1.26 0.24 117.35 123.72 3req s TYR 212 Ca 0.00 1.18 -0.15 0.00 -0.37 0.00 0.00 57.07 57.73 3req s TYR 212 Cb 0.00 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3req s TYR 212 CO 0.00 0.23 0.16 -2.30 -1.57 0.00 0.00 175.55 172.07 3req n PRO 213 N 0.09 -0.00 -0.11 -1.71 -0.02 -1.26 -4.28 135.00 127.71 3req n PRO 213 Ca 0.00 0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.49 3req n PRO 213 Cb 0.52 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3req n PRO 213 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3req n PRO 214 N -0.27 -0.12 -0.01 0.52 -0.02 -1.26 -0.07 135.00 133.77 3req n PRO 214 Ca 0.06 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3req n PRO 214 Cb 0.52 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 3req n PRO 214 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3req h GLN 215 N 0.00 -0.22 0.00 -0.52 1.08 -1.91 0.13 115.11 113.68 3req h GLN 215 Ca 0.04 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3req h GLN 215 Cb 0.11 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3req h GLN 215 CO -0.25 -0.15 0.00 -1.00 -0.95 0.00 0.00 178.83 176.49 3req h PRO 216 N -0.23 0.00 0.00 1.46 0.13 -1.88 -1.94 132.00 129.54 3req h PRO 216 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 3req h PRO 216 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3req h PRO 216 CO -0.29 0.00 -0.69 0.77 -0.23 0.00 0.00 178.00 177.56 3req h SER 217 N 0.00 0.00 1.40 1.44 0.02 0.11 -3.14 113.55 113.37 3req h SER 217 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3req h SER 217 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3req h SER 217 CO 0.00 0.35 -0.62 0.24 -1.14 0.00 0.00 176.83 175.65 3req h MET 218 N 0.00 0.00 0.00 3.45 2.86 -0.03 -3.13 114.93 118.08 3req h MET 218 Ca -0.04 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.40 3req h MET 218 Cb 1.30 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 3req h MET 218 CO 0.04 0.33 -0.93 -0.09 1.06 0.00 0.00 176.91 177.31 3req h ARG 219 N 0.00 0.00 -0.50 1.72 2.43 -1.56 -1.05 114.38 115.41 3req h ARG 219 Ca -0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3req h ARG 219 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3req h ARG 219 CO 0.04 0.93 -0.06 0.82 -1.51 0.00 0.00 179.97 180.20 3req h ILE 220 N 0.00 1.27 -0.22 1.20 2.04 -1.56 -0.97 117.51 119.26 3req h ILE 220 Ca -0.01 -1.17 -0.14 0.00 1.00 0.00 0.00 64.86 64.54 3req h ILE 220 Cb 1.67 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3req h ILE 220 CO 0.12 0.41 -0.44 0.40 0.00 0.00 0.00 178.15 178.64 3req h ILE 221 N 0.79 1.31 0.00 -0.67 2.04 -1.56 -2.78 117.51 116.63 3req h ILE 221 Ca 0.14 -1.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.29 3req h ILE 221 Cb 0.60 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3req h ILE 221 CO 0.04 0.51 -0.38 0.28 0.00 0.00 0.00 178.15 178.60 3req h SER 222 N 0.45 0.00 -0.59 1.72 0.02 -0.87 -2.77 113.55 111.52 3req h SER 222 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3req h SER 222 Cb 0.95 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3req h SER 222 CO 0.08 0.38 0.01 -0.62 -1.14 0.00 0.00 176.83 175.55 3req n GLU 223 N -3.54 4.90 0.00 3.45 1.02 -0.40 -2.26 120.64 123.81 3req n GLU 223 Ca -0.00 -3.18 0.00 0.00 -0.02 0.00 0.00 57.16 53.96 3req n GLU 223 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3req n GLU 223 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3req n ILE 224 N 0.60 0.00 0.30 -3.67 5.41 -1.06 -3.95 119.36 116.99 3req n ILE 224 Ca 0.29 -0.31 0.11 0.00 1.00 0.00 0.00 62.75 63.84 3req n ILE 224 Cb 1.22 0.81 -0.09 0.00 -0.71 0.00 0.00 39.64 40.86 3req n ILE 224 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3req n PHE 225 N -1.13 0.19 0.08 1.39 3.72 -1.05 -1.67 117.46 118.99 3req n PHE 225 Ca 0.00 0.05 -0.05 0.00 -0.05 0.00 0.00 57.45 57.41 3req n PHE 225 Cb 0.00 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.05 3req n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3req h ALA 226 N 2.29 -0.30 -0.17 4.37 0.00 -1.68 -3.29 119.26 120.48 3req h ALA 226 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3req h ALA 226 Cb 0.86 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3req h ALA 226 CO 0.00 -0.27 0.01 -0.92 0.00 0.00 0.00 179.25 178.07 3req h TYR 227 N -1.08 0.31 0.49 0.00 5.03 -1.74 -3.27 116.97 116.71 3req h TYR 227 Ca -0.03 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 3req h TYR 227 Cb 0.23 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.43 3req h TYR 227 CO 0.00 0.48 -0.23 1.79 -1.32 0.00 0.00 178.16 178.87 3req h THR 228 N 0.06 0.00 0.00 1.81 1.35 -1.51 -1.45 112.91 113.16 3req h THR 228 Ca 0.05 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3req h THR 228 Cb 0.34 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 3req h THR 228 CO 0.01 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.74 3req n SER 229 N -4.17 0.00 0.00 5.36 3.41 -1.24 0.12 113.62 117.10 3req n SER 229 Ca -0.08 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3req n SER 229 Cb 0.26 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3req n SER 229 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3req n ALA 230 N -1.71 -0.05 1.83 7.33 0.00 -1.23 -3.91 120.51 122.76 3req n ALA 230 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3req n ALA 230 Cb 0.00 0.25 0.33 0.00 0.00 0.00 0.00 19.45 20.03 3req n ALA 230 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3req n ASN 231 N -1.52 0.33 -2.92 0.00 3.02 -0.55 -4.54 115.26 109.09 3req n ASN 231 Ca 0.00 -1.67 -0.04 0.00 -0.03 0.00 0.00 54.58 52.84 3req n ASN 231 Cb 0.00 -0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3req n ASN 231 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3req s MET 232 N -1.94 0.99 0.17 3.52 -1.94 0.12 -3.21 119.30 117.01 3req s MET 232 Ca 0.20 -0.88 -0.14 0.00 -1.71 0.00 0.00 55.69 53.15 3req s MET 232 Cb 0.09 -0.08 0.07 0.00 2.01 0.00 0.00 34.83 36.93 3req s MET 232 CO 0.15 -1.29 1.83 -1.00 -0.01 0.00 0.00 175.02 174.70 3req h PRO 233 N 5.61 0.71 0.00 2.03 0.13 -1.76 -3.22 132.00 135.51 3req h PRO 233 Ca 0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3req h PRO 233 Cb 1.12 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3req h PRO 233 CO 0.05 0.48 -0.83 1.17 -0.23 0.00 0.00 178.00 178.65 3req n LYS 234 N -4.70 0.30 -2.25 0.86 4.81 -1.26 -4.90 118.16 111.02 3req n LYS 234 Ca 0.03 0.05 -0.43 0.00 -0.87 0.00 0.00 58.31 57.09 3req n LYS 234 Cb 0.03 -1.65 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 3req n LYS 234 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 3req s TRP 235 N -3.19 2.42 0.09 5.64 -0.11 -1.21 -4.15 118.94 118.43 3req s TRP 235 Ca 0.05 0.69 -0.30 0.00 1.22 0.00 0.00 56.10 57.76 3req s TRP 235 Cb 0.14 -3.83 -0.05 0.00 -1.50 0.00 0.00 33.47 28.23 3req s TRP 235 CO 0.76 -2.45 0.97 -0.80 -4.62 0.00 0.00 176.95 170.81 3req s ASN 236 N 3.15 7.46 0.00 5.86 0.02 0.10 -4.89 114.94 126.64 3req s ASN 236 Ca 0.64 1.77 0.18 0.00 -1.02 0.00 0.00 52.86 54.43 3req s ASN 236 Cb -0.23 -2.58 0.06 0.00 0.02 0.00 0.00 41.25 38.51 3req s ASN 236 CO 0.24 -0.12 0.97 -1.54 0.02 0.00 0.00 177.10 176.67 3req n SER 237 N 3.05 2.04 -3.68 -1.22 3.41 -1.26 -0.20 113.62 115.76 3req n SER 237 Ca 0.03 -1.52 -0.11 0.00 -0.26 0.00 0.00 58.87 57.01 3req n SER 237 Cb 0.49 0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.63 3req n SER 237 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3req s ILE 238 N -1.81 -0.01 -0.09 -1.33 1.10 -1.22 -4.54 121.20 113.31 3req s ILE 238 Ca 0.17 0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.34 3req s ILE 238 Cb 0.14 -0.79 0.02 0.00 0.15 0.00 0.00 42.46 41.99 3req s ILE 238 CO 0.35 0.01 -0.10 -0.55 -2.11 0.00 0.00 174.94 172.54 3req s SER 239 N 0.89 1.97 -0.52 4.50 0.15 -1.03 -4.56 113.70 115.11 3req s SER 239 Ca -0.05 -0.30 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 3req s SER 239 Cb -0.05 -0.83 0.07 0.00 -1.71 0.00 0.00 66.02 63.50 3req s SER 239 CO -0.08 -0.05 0.60 -0.63 1.20 0.00 0.00 173.24 174.28 3req s ILE 240 N 1.23 4.93 -0.19 6.45 1.09 -0.71 -4.67 121.20 129.34 3req s ILE 240 Ca -0.04 -0.70 -0.10 0.00 -1.10 0.00 0.00 60.65 58.72 3req s ILE 240 Cb -0.14 -4.30 -0.05 0.00 -1.06 0.00 0.00 42.46 36.91 3req s ILE 240 CO -0.03 -0.82 0.13 -0.44 -0.10 0.00 0.00 174.94 173.68 3req s SER 241 N 2.86 6.21 -0.03 3.58 0.01 -1.26 -2.21 113.70 122.86 3req s SER 241 Ca 0.12 0.25 0.15 0.00 1.31 0.00 0.00 55.95 57.78 3req s SER 241 Cb -0.21 -2.08 -0.22 0.00 0.21 0.00 0.00 66.02 63.71 3req s SER 241 CO 0.10 0.21 0.30 0.61 0.41 0.00 0.00 173.24 174.87 3req n GLY 242 N 3.34 -0.67 0.36 3.44 0.00 -0.55 -4.68 105.19 106.43 3req n GLY 242 Ca -0.16 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 3req n GLY 242 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3req h TYR 243 N 0.00 -1.05 -0.49 1.61 3.20 -1.46 -1.37 116.97 117.42 3req h TYR 243 Ca -0.02 0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3req h TYR 243 Cb 0.74 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3req h TYR 243 CO 0.00 -0.40 0.33 0.45 -1.64 0.00 0.00 178.16 176.90 3req h HIS 244 N -0.21 0.32 0.59 -3.82 -0.00 -1.89 -2.70 115.15 107.43 3req h HIS 244 Ca 0.20 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 3req h HIS 244 Cb 0.56 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 3req h HIS 244 CO -0.64 0.16 -0.32 0.52 -0.00 0.00 0.00 177.93 177.65 3req h MET 245 N 0.31 -0.82 -0.18 2.45 2.86 -1.52 -2.53 114.93 115.50 3req h MET 245 Ca 0.22 0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3req h MET 245 Cb 0.47 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3req h MET 245 CO -0.05 -0.54 -0.09 0.37 1.06 0.00 0.00 176.91 177.66 3req h GLN 246 N -0.85 0.28 -0.12 1.72 4.15 -1.52 -2.15 115.11 116.62 3req h GLN 246 Ca -0.08 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3req h GLN 246 Cb 0.67 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3req h GLN 246 CO 0.10 0.38 -0.27 0.93 -1.93 0.00 0.00 178.83 178.05 3req h GLU 247 N 0.27 0.22 -0.08 1.69 4.39 -1.33 -2.92 114.58 116.81 3req h GLU 247 Ca 0.06 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3req h GLU 247 Cb 0.33 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3req h GLU 247 CO 0.02 0.48 -0.28 0.00 -1.16 0.00 0.00 179.01 178.06 3req h ALA 248 N 1.53 1.37 0.00 3.43 0.00 -0.97 -3.47 119.26 121.15 3req h ALA 248 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3req h ALA 248 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3req h ALA 248 CO 0.04 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3req n GLY 249 N -0.57 0.10 3.71 0.00 0.00 -0.92 -4.69 105.19 102.82 3req n GLY 249 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3req n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req s ALA 250 N -0.94 3.70 1.04 4.61 0.00 -0.89 -3.94 121.76 125.34 3req s ALA 250 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 3req s ALA 250 Cb 0.00 -3.62 0.23 0.00 0.00 0.00 0.00 23.12 19.74 3req s ALA 250 CO 0.00 -0.82 1.28 0.95 0.00 0.00 0.00 175.76 177.17 3req s THR 251 N 1.56 1.89 0.25 0.00 -4.23 -1.26 -4.16 115.64 109.68 3req s THR 251 Ca 0.69 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3req s THR 251 Cb -0.40 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 70.79 3req s THR 251 CO 0.31 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.12 3req h ALA 252 N -1.94 1.09 -0.66 3.99 0.00 -1.95 -2.02 119.26 117.78 3req h ALA 252 Ca -0.44 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3req h ALA 252 Cb 1.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3req h ALA 252 CO 0.35 -0.20 0.28 0.38 0.00 0.00 0.00 179.25 180.05 3req h ASP 253 N 0.46 0.90 0.05 0.00 2.03 -1.93 -2.27 116.42 115.66 3req h ASP 253 Ca 0.42 -0.16 -0.26 0.00 -0.73 0.00 0.00 57.03 56.30 3req h ASP 253 Cb 0.64 -0.23 0.02 0.00 -0.83 0.00 0.00 39.33 38.93 3req h ASP 253 CO -0.40 0.81 -1.05 0.40 -1.03 0.00 0.00 179.24 177.97 3req h ILE 254 N 0.92 1.29 0.64 4.15 2.04 -1.75 -0.80 117.51 124.01 3req h ILE 254 Ca 0.22 -2.28 -0.03 0.00 1.00 0.00 0.00 64.86 63.77 3req h ILE 254 Cb 0.19 2.40 0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3req h ILE 254 CO -0.02 0.70 -0.31 -0.08 0.00 0.00 0.00 178.15 178.44 3req h GLU 255 N 0.37 -0.83 -0.11 2.37 4.81 -1.36 -1.42 114.58 118.41 3req h GLU 255 Ca -0.13 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3req h GLU 255 Cb 1.70 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 31.25 3req h GLU 255 CO 0.20 -0.52 -0.15 1.98 -0.73 0.00 0.00 179.01 179.79 3req h MET 256 N -0.97 -0.10 -0.61 1.92 4.05 -1.51 -2.71 114.93 114.99 3req h MET 256 Ca -0.09 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.41 3req h MET 256 Cb 0.69 0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 31.42 3req h MET 256 CO 0.15 -0.07 -0.53 0.00 0.23 0.00 0.00 176.91 176.68 3req h ALA 257 N -0.97 -0.59 0.00 0.39 0.00 -1.08 -2.42 119.26 114.60 3req h ALA 257 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3req h ALA 257 Cb 0.16 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3req h ALA 257 CO -0.16 -0.97 -0.29 1.88 0.00 0.00 0.00 179.25 179.72 3req h TYR 258 N -0.25 0.00 0.00 0.00 0.05 -1.29 -2.10 116.97 113.38 3req h TYR 258 Ca 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 3req h TYR 258 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 3req h TYR 258 CO -0.80 0.29 -0.00 1.15 -1.05 0.00 0.00 178.16 177.74 3req h THR 259 N 0.00 1.21 0.15 -2.88 2.02 -1.11 0.57 112.91 112.87 3req h THR 259 Ca -0.00 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3req h THR 259 Cb 0.68 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3req h THR 259 CO 0.04 0.16 -0.07 -0.07 0.37 0.00 0.00 175.52 175.95 3req h LEU 260 N -0.27 -0.17 -0.39 2.58 3.38 -1.51 -0.83 115.31 118.10 3req h LEU 260 Ca -0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3req h LEU 260 Cb 0.27 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3req h LEU 260 CO 0.00 -0.11 0.09 0.00 0.09 0.00 0.00 178.44 178.51 3req h ALA 261 N 0.65 0.43 -0.68 1.53 0.00 -1.31 0.24 119.26 120.11 3req h ALA 261 Ca -0.02 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3req h ALA 261 Cb 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3req h ALA 261 CO 0.03 -0.31 0.28 -0.44 0.00 0.00 0.00 179.25 178.81 3req h ASP 262 N 0.22 0.30 0.85 0.00 5.19 0.25 -2.10 116.42 121.13 3req h ASP 262 Ca 0.19 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 3req h ASP 262 Cb 0.21 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.77 3req h ASP 262 CO -0.24 0.16 0.00 0.61 -3.12 0.00 0.00 179.24 176.65 3req n GLY 263 N -1.31 -1.32 0.16 2.75 0.00 0.67 -3.03 105.19 103.12 3req n GLY 263 Ca 0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 3req n GLY 263 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3req h VAL 264 N 0.00 1.38 0.00 1.61 2.07 -0.43 -2.66 116.25 118.22 3req h VAL 264 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3req h VAL 264 Cb 0.43 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3req h VAL 264 CO 0.00 0.75 0.00 0.47 0.02 0.00 0.00 177.57 178.81 3req n ASP 265 N -3.74 0.40 0.04 0.57 9.92 -1.09 -1.76 116.55 120.88 3req n ASP 265 Ca -0.08 0.56 0.04 0.00 -0.53 0.00 0.00 54.79 54.78 3req n ASP 265 Cb 0.88 -0.66 -0.08 0.00 -0.64 0.00 0.00 41.12 40.62 3req n ASP 265 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3req n TYR 266 N -1.90 0.81 0.08 1.24 4.01 -1.20 -2.28 117.16 117.92 3req n TYR 266 Ca 0.05 0.26 -0.01 0.00 -0.16 0.00 0.00 57.90 58.04 3req n TYR 266 Cb 0.31 -0.98 -0.05 0.00 -0.31 0.00 0.00 39.34 38.31 3req n TYR 266 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3req h ILE 267 N 0.00 0.91 -0.07 -0.72 2.04 -1.03 -1.98 117.51 116.67 3req h ILE 267 Ca -0.13 -2.41 -0.15 0.00 1.00 0.00 0.00 64.86 63.17 3req h ILE 267 Cb 1.41 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 3req h ILE 267 CO 0.03 0.52 -0.64 0.03 0.00 0.00 0.00 178.15 178.09 3req h ARG 268 N 0.00 0.26 0.00 2.37 3.08 -1.46 -0.18 114.38 118.45 3req h ARG 268 Ca -0.07 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3req h ARG 268 Cb 1.56 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.65 3req h ARG 268 CO 0.07 0.81 -0.19 0.00 -1.07 0.00 0.00 179.97 179.60 3req h ALA 269 N 1.14 0.90 0.03 0.04 0.00 -1.44 -3.17 119.26 116.76 3req h ALA 269 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3req h ALA 269 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3req h ALA 269 CO 0.10 0.00 -1.40 0.78 0.00 0.00 0.00 179.25 178.73 3req h GLY 270 N 4.20 0.08 -1.75 0.00 0.00 -1.19 -3.32 103.07 101.10 3req h GLY 270 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3req h GLY 270 CO 0.00 0.18 0.00 1.18 0.00 0.00 0.00 176.54 177.90 3req n GLU 271 N -3.27 2.29 -0.00 4.80 1.02 -0.09 -2.79 120.64 122.59 3req n GLU 271 Ca -0.11 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 3req n GLU 271 Cb 1.01 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 3req n GLU 271 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3req n SER 272 N 0.26 0.61 -0.00 1.62 3.41 -1.20 -4.58 113.62 113.73 3req n SER 272 Ca 0.10 -0.46 0.03 0.00 -0.26 0.00 0.00 58.87 58.28 3req n SER 272 Cb 0.52 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.44 3req n SER 272 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3req n VAL 273 N -1.08 0.00 0.00 -3.33 0.24 -1.24 -5.02 118.33 107.89 3req n VAL 273 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3req n VAL 273 Cb 0.02 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 3req n VAL 273 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3req n GLY 274 N 1.50 3.28 3.32 7.63 0.00 -1.24 -5.00 105.19 114.68 3req n GLY 274 Ca 0.00 -0.51 -0.56 0.00 0.00 0.00 0.00 46.02 44.96 3req n GLY 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3req n LEU 275 N 0.00 -0.03 0.00 0.99 4.77 -1.12 -4.82 117.00 116.79 3req n LEU 275 Ca 0.00 1.10 -0.25 0.00 -0.03 0.00 0.00 56.01 56.83 3req n LEU 275 Cb 0.00 -0.87 0.15 0.00 -2.33 0.00 0.00 43.42 40.37 3req n LEU 275 CO 0.00 -1.83 0.69 -0.46 -1.33 0.00 0.00 177.39 174.46 3req n ASN 276 N 1.43 0.71 0.08 -1.43 2.04 -1.26 -3.28 115.26 113.55 3req n ASN 276 Ca 0.19 -1.79 -0.12 0.00 -0.44 0.00 0.00 54.58 52.42 3req n ASN 276 Cb 0.08 -0.79 -0.06 0.00 -2.53 0.00 0.00 39.78 36.47 3req n ASN 276 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 3req h VAL 277 N -1.16 0.83 0.00 3.53 3.04 -1.92 -3.20 116.25 117.38 3req h VAL 277 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3req h VAL 277 Cb 1.16 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3req h VAL 277 CO 0.32 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.35 3req n ASP 278 N -5.18 0.38 -0.00 3.17 8.00 -1.26 0.04 116.55 121.69 3req n ASP 278 Ca -0.07 -1.32 0.02 0.00 0.71 0.00 0.00 54.79 54.14 3req n ASP 278 Cb 0.11 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3req n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3req n GLN 279 N -0.11 2.89 -0.06 -1.24 6.02 -1.21 -4.80 117.38 118.88 3req n GLN 279 Ca 0.00 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 3req n GLN 279 Cb 0.10 -0.91 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 3req n GLN 279 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3req n PHE 280 N -1.38 0.00 -0.07 1.08 7.35 0.11 -4.85 117.46 119.69 3req n PHE 280 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3req n PHE 280 Cb 0.10 -0.43 -0.06 0.00 0.35 0.00 0.00 39.48 39.44 3req n PHE 280 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3req h ALA 281 N -0.19 0.28 0.00 3.13 0.00 -0.71 -3.30 119.26 118.46 3req h ALA 281 Ca -0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3req h ALA 281 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3req h ALA 281 CO -0.10 0.12 0.00 -1.00 0.00 0.00 0.00 179.25 178.27 3req h PRO 282 N 0.11 0.00 -0.74 0.00 0.13 -1.79 -3.03 132.00 126.68 3req h PRO 282 Ca 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.83 3req h PRO 282 Cb 0.60 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.53 3req h PRO 282 CO 0.03 0.00 0.35 2.89 -0.23 0.00 0.00 178.00 181.04 3req n ARG 283 N -2.90 2.52 -3.81 0.86 1.85 -1.24 -4.90 116.66 109.03 3req n ARG 283 Ca 0.00 -3.07 -0.36 0.00 -1.00 0.00 0.00 57.85 53.43 3req n ARG 283 Cb 0.26 -2.08 -0.13 0.00 -1.05 0.00 0.00 32.46 29.46 3req n ARG 283 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3req s LEU 284 N -3.20 3.28 -0.00 2.89 1.43 -1.15 -4.99 118.68 116.95 3req s LEU 284 Ca 0.53 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3req s LEU 284 Cb 0.45 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 3req s LEU 284 CO 0.09 -0.03 -0.21 -0.94 0.23 0.00 0.00 176.35 175.50 3req s SER 285 N 1.54 3.55 0.43 2.29 1.04 -1.26 -4.44 113.70 116.85 3req s SER 285 Ca 0.06 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.15 3req s SER 285 Cb -0.15 -0.55 0.01 0.00 0.10 0.00 0.00 66.02 65.43 3req s SER 285 CO 0.02 0.30 0.59 -0.36 0.98 0.00 0.00 173.24 174.77 3req s PHE 286 N -0.76 2.93 -0.17 5.02 0.08 -0.14 -1.73 117.98 123.20 3req s PHE 286 Ca 0.12 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.91 3req s PHE 286 Cb -0.10 -2.35 0.05 0.00 -0.57 0.00 0.00 43.02 40.05 3req s PHE 286 CO 0.02 -0.40 0.03 0.12 -0.10 0.00 0.00 175.22 174.88 3req s PHE 287 N -2.40 0.99 0.22 0.36 5.36 -0.94 -1.02 117.98 120.56 3req s PHE 287 Ca 0.52 -0.75 0.04 0.00 -0.96 0.00 0.00 56.93 55.78 3req s PHE 287 Cb -0.10 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.55 3req s PHE 287 CO 0.34 -0.56 0.35 -1.58 -1.46 0.00 0.00 175.22 172.31 3req s TRP 288 N 1.87 3.47 -0.07 10.12 0.23 -0.48 -1.37 118.94 132.70 3req s TRP 288 Ca 0.00 0.06 -0.05 0.00 -2.03 0.00 0.00 56.10 54.08 3req s TRP 288 Cb -0.16 -1.63 -0.04 0.00 0.03 0.00 0.00 33.47 31.66 3req s TRP 288 CO -0.07 0.44 0.16 0.20 0.96 0.00 0.00 176.95 178.63 3req s GLY 289 N -3.73 2.17 -0.22 0.98 0.00 -1.26 -1.66 107.32 103.59 3req s GLY 289 Ca 0.35 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 3req s GLY 289 CO 0.29 -0.49 0.06 -0.42 0.00 0.00 0.00 173.10 172.54 3req s ILE 290 N -1.15 0.54 0.00 0.90 -1.09 -1.13 -4.88 121.20 114.39 3req s ILE 290 Ca 0.20 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 3req s ILE 290 Cb -0.12 -1.14 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 3req s ILE 290 CO 0.10 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.08 3req n GLY 291 N 5.03 2.16 0.13 6.18 0.00 -1.26 -0.18 105.19 117.25 3req n GLY 291 Ca -0.07 -2.09 0.15 0.00 0.00 0.00 0.00 46.02 44.01 3req n GLY 291 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3req n MET 292 N -0.47 0.94 -2.93 1.61 2.81 -1.26 -4.61 117.12 113.22 3req n MET 292 Ca 0.00 -0.26 -0.44 0.00 -1.81 0.00 0.00 57.70 55.20 3req n MET 292 Cb 0.00 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 3req n MET 292 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3req s ASN 293 N -2.24 6.39 0.05 7.83 3.84 -1.26 -4.90 114.94 124.65 3req s ASN 293 Ca 0.37 -1.55 -0.14 0.00 0.21 0.00 0.00 52.86 51.75 3req s ASN 293 Cb 0.21 -2.39 -0.06 0.00 -0.55 0.00 0.00 41.25 38.46 3req s ASN 293 CO 0.41 -1.22 1.23 0.15 -2.79 0.00 0.00 177.10 174.88 3req h PHE 294 N 9.16 -0.66 -0.94 0.43 3.57 -1.92 0.57 116.94 127.16 3req h PHE 294 Ca -0.08 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.50 3req h PHE 294 Cb 1.05 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 40.02 3req h PHE 294 CO 1.04 -0.23 0.61 0.74 -2.23 0.00 0.00 178.31 178.24 3req h PHE 295 N -0.26 1.11 0.00 0.41 0.04 -1.98 -1.00 116.94 115.25 3req h PHE 295 Ca 0.01 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 3req h PHE 295 Cb 0.29 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3req h PHE 295 CO -0.46 0.59 -0.68 1.98 -0.60 0.00 0.00 178.31 179.14 3req h MET 296 N 1.10 0.00 -0.02 1.51 4.05 -1.86 -3.03 114.93 116.68 3req h MET 296 Ca 0.40 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.64 3req h MET 296 Cb 0.15 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3req h MET 296 CO -0.14 0.68 -0.79 0.93 0.23 0.00 0.00 176.91 177.82 3req h GLU 297 N 0.00 0.21 0.73 0.39 4.39 -0.46 -1.48 114.58 118.36 3req h GLU 297 Ca -0.01 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 3req h GLU 297 Cb 1.27 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3req h GLU 297 CO 0.09 0.89 -0.38 0.28 -1.16 0.00 0.00 179.01 178.73 3req h VAL 298 N 0.13 0.22 -0.78 3.13 2.07 -1.18 -2.97 116.25 116.87 3req h VAL 298 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 3req h VAL 298 Cb 1.38 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 31.23 3req h VAL 298 CO 0.12 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 3req h ALA 299 N -0.78 0.74 -0.84 1.67 0.00 -1.56 -2.69 119.26 115.80 3req h ALA 299 Ca -0.10 0.26 0.17 0.00 0.00 0.00 0.00 54.91 55.24 3req h ALA 299 Cb 0.80 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 3req h ALA 299 CO 0.14 -0.43 -0.21 -0.22 0.00 0.00 0.00 179.25 178.53 3req h LYS 300 N 0.07 -0.00 0.01 0.00 3.64 -1.09 -0.53 116.57 118.67 3req h LYS 300 Ca 0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 3req h LYS 300 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3req h LYS 300 CO -0.72 -0.00 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.32 3req h LEU 301 N -0.00 0.04 0.00 5.20 4.07 -1.56 -0.16 115.31 122.90 3req h LEU 301 Ca 0.40 -0.97 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3req h LEU 301 Cb 0.61 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.34 3req h LEU 301 CO -0.86 1.01 0.00 0.54 -1.08 0.00 0.00 178.44 178.05 3req n ARG 302 N -4.58 0.00 -0.42 1.13 1.74 -1.02 -2.81 116.66 110.71 3req n ARG 302 Ca -0.10 0.60 0.35 0.00 -0.77 0.00 0.00 57.85 57.92 3req n ARG 302 Cb 0.50 -1.49 0.65 0.00 -1.02 0.00 0.00 32.46 31.10 3req n ARG 302 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3req h ALA 303 N -1.78 2.81 -0.59 7.54 0.00 -1.25 -2.03 119.26 123.94 3req h ALA 303 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3req h ALA 303 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3req h ALA 303 CO 0.00 -1.32 0.13 0.00 0.00 0.00 0.00 179.25 178.07 3req h ALA 304 N 1.50 0.78 -0.05 0.00 0.00 -0.89 -2.47 119.26 118.13 3req h ALA 304 Ca 0.73 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.44 3req h ALA 304 Cb 2.38 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 3req h ALA 304 CO -0.27 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.25 3req h ARG 305 N 0.86 -0.33 -0.12 0.00 3.08 -1.20 0.24 114.38 116.91 3req h ARG 305 Ca 0.18 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3req h ARG 305 Cb 0.36 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3req h ARG 305 CO 0.00 -0.22 -0.13 0.52 -1.07 0.00 0.00 179.97 179.07 3req h MET 306 N -0.34 0.19 0.00 0.04 2.86 -1.42 -0.13 114.93 116.13 3req h MET 306 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3req h MET 306 Cb 0.45 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3req h MET 306 CO -0.25 0.34 -0.43 -0.07 1.06 0.00 0.00 176.91 177.56 3req h LEU 307 N 0.18 0.00 0.02 1.22 3.38 -1.37 -3.33 115.31 115.42 3req h LEU 307 Ca 0.04 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 3req h LEU 307 Cb 0.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 3req h LEU 307 CO 0.02 0.04 -1.14 -0.25 0.09 0.00 0.00 178.44 177.20 3req h TRP 308 N 0.00 0.79 -0.04 1.13 2.91 0.13 -3.13 115.95 117.74 3req h TRP 308 Ca 0.00 -0.49 0.00 0.00 1.13 0.00 0.00 58.89 59.54 3req h TRP 308 Cb 0.84 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.41 3req h TRP 308 CO 0.00 1.33 -0.05 0.00 -1.03 0.00 0.00 178.44 178.69 3req h ALA 309 N 0.50 -0.30 -0.19 2.65 0.00 -1.38 -3.10 119.26 117.44 3req h ALA 309 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3req h ALA 309 Cb 1.81 0.79 0.00 0.00 0.00 0.00 0.00 17.79 20.38 3req h ALA 309 CO 0.21 -0.32 0.00 1.17 0.00 0.00 0.00 179.25 180.31 3req n LYS 310 N -2.98 0.00 0.19 0.00 3.00 -1.24 -1.43 118.16 115.71 3req n LYS 310 Ca -0.00 0.56 0.18 0.00 -0.00 0.00 0.00 58.31 59.05 3req n LYS 310 Cb 0.03 -0.86 0.81 0.00 0.00 0.00 0.00 35.03 35.01 3req n LYS 310 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3req h LEU 311 N 0.00 0.00 0.00 3.14 3.38 -1.53 0.08 115.31 120.38 3req h LEU 311 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3req h LEU 311 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3req h LEU 311 CO 0.00 0.00 -1.47 0.52 0.09 0.00 0.00 178.44 177.58 3req n VAL 312 N -3.55 0.69 -0.01 1.22 0.31 -0.87 -4.25 118.33 111.87 3req n VAL 312 Ca 0.03 -0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 63.67 3req n VAL 312 Cb 0.45 -0.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.97 3req n VAL 312 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 3req h HIS 313 N 0.00 -0.27 -1.04 3.52 6.17 0.23 -3.05 115.15 120.71 3req h HIS 313 Ca -0.09 0.02 0.39 0.00 0.71 0.00 0.00 60.37 61.40 3req h HIS 313 Cb 1.26 0.14 -0.14 0.00 2.52 0.00 0.00 27.41 31.20 3req h HIS 313 CO 0.00 -0.17 0.63 1.04 0.71 0.00 0.00 177.93 180.14 3req n GLN 314 N -5.26 -0.04 0.04 5.26 6.02 -1.23 -2.39 117.38 119.78 3req n GLN 314 Ca -0.03 1.13 -0.12 0.00 -0.01 0.00 0.00 57.00 57.97 3req n GLN 314 Cb 0.18 -2.13 -0.09 0.00 1.02 0.00 0.00 30.24 29.22 3req n GLN 314 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3req h PHE 315 N 0.00 -0.15 0.00 1.08 -1.00 -1.78 -3.49 116.94 111.60 3req h PHE 315 Ca 0.75 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.52 3req h PHE 315 Cb 2.22 0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.83 3req h PHE 315 CO -0.01 0.32 0.00 0.41 -1.61 0.00 0.00 178.31 177.42 3req n GLY 316 N 0.40 0.41 3.77 -1.45 0.00 -1.01 -5.06 105.19 102.25 3req n GLY 316 Ca -0.08 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 3req n GLY 316 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3req s PRO 317 N 0.00 4.12 -0.02 1.61 0.04 -1.26 -4.93 135.00 134.56 3req s PRO 317 Ca 0.00 0.28 0.20 0.00 0.04 0.00 0.00 61.00 61.52 3req s PRO 317 Cb 0.00 -3.35 -0.29 0.00 0.04 0.00 0.00 34.50 30.90 3req s PRO 317 CO 0.00 0.40 0.51 1.63 0.04 0.00 0.00 177.00 179.58 3req n LYS 318 N 2.93 0.61 -2.38 4.56 4.76 -1.26 -4.90 118.16 122.48 3req n LYS 318 Ca -0.12 -0.15 -0.38 0.00 -2.87 0.00 0.00 58.31 54.80 3req n LYS 318 Cb 0.52 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3req n LYS 318 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3req s ASN 319 N -4.02 6.57 0.24 4.39 3.84 -1.26 -4.96 114.94 119.73 3req s ASN 319 Ca -0.05 2.23 0.24 0.00 0.21 0.00 0.00 52.86 55.49 3req s ASN 319 Cb 0.13 -2.60 0.30 0.00 -0.55 0.00 0.00 41.25 38.53 3req s ASN 319 CO 0.82 -0.64 1.37 1.55 -2.79 0.00 0.00 177.10 177.41 3req h PRO 320 N 2.53 0.00 -0.64 0.43 0.13 -2.02 -3.32 132.00 129.11 3req h PRO 320 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3req h PRO 320 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3req h PRO 320 CO 0.62 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.56 3req n LYS 321 N -2.55 3.20 -0.01 0.86 0.00 -1.26 -3.60 118.16 114.79 3req n LYS 321 Ca 0.03 -2.44 -0.08 0.00 0.00 0.00 0.00 58.31 55.81 3req n LYS 321 Cb 0.50 -1.75 -0.13 0.00 0.00 0.00 0.00 35.03 33.64 3req n LYS 321 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 3req h SER 322 N 3.60 0.00 0.32 3.14 0.02 -1.85 -3.32 113.55 115.45 3req h SER 322 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3req h SER 322 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3req h SER 322 CO 0.16 0.99 -0.66 0.23 -1.14 0.00 0.00 176.83 176.41 3req n MET 323 N -3.09 0.04 -2.80 3.45 2.81 -1.24 -4.49 117.12 111.81 3req n MET 323 Ca -0.14 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.31 3req n MET 323 Cb 1.03 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 32.00 3req n MET 323 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3req s SER 324 N -2.98 7.34 -0.56 7.83 1.04 -1.25 -3.35 113.70 121.77 3req s SER 324 Ca 0.10 1.61 -0.22 0.00 0.48 0.00 0.00 55.95 57.92 3req s SER 324 Cb 0.17 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.80 3req s SER 324 CO 0.75 -0.14 0.85 -0.22 0.98 0.00 0.00 173.24 175.47 3req s LEU 325 N 0.49 4.43 -0.27 2.42 1.98 -1.26 -4.99 118.68 121.48 3req s LEU 325 Ca 0.46 -0.67 -0.08 0.00 -2.89 0.00 0.00 54.13 50.96 3req s LEU 325 Cb -0.21 -2.63 -0.02 0.00 0.66 0.00 0.00 46.19 43.99 3req s LEU 325 CO 0.27 -1.18 0.10 -0.13 -1.89 0.00 0.00 176.35 173.52 3req s ARG 326 N 3.58 3.53 0.02 1.98 0.52 -1.26 -4.77 118.95 122.55 3req s ARG 326 Ca 0.24 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 3req s ARG 326 Cb -0.16 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 3req s ARG 326 CO 0.15 -0.28 -0.09 -0.08 0.02 0.00 0.00 175.30 175.03 3req s THR 327 N 1.61 0.66 0.17 0.02 -1.32 -1.26 -0.97 115.64 114.55 3req s THR 327 Ca 0.06 -0.74 -0.11 0.00 -1.21 0.00 0.00 61.69 59.68 3req s THR 327 Cb -0.16 -0.63 -0.07 0.00 -1.51 0.00 0.00 72.50 70.13 3req s THR 327 CO 0.05 -0.09 0.51 -2.28 -2.21 0.00 0.00 174.62 170.61 3req s HIS 328 N -0.77 3.51 0.20 9.09 2.46 -0.19 -1.21 115.29 128.38 3req s HIS 328 Ca -0.02 0.90 0.07 0.00 0.47 0.00 0.00 55.06 56.48 3req s HIS 328 Cb -0.06 -2.26 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 3req s HIS 328 CO 0.00 0.37 -0.13 -1.12 -2.47 0.00 0.00 174.74 171.40 3req s SER 329 N -2.07 2.46 -0.07 9.88 0.01 0.15 -1.38 113.70 122.68 3req s SER 329 Ca 0.42 -1.04 -0.03 0.00 1.31 0.00 0.00 55.95 56.61 3req s SER 329 Cb -0.13 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.02 3req s SER 329 CO 0.20 -0.22 0.16 -1.58 0.41 0.00 0.00 173.24 172.22 3req s GLN 330 N -3.67 0.11 0.51 12.44 0.74 -0.66 -1.30 119.66 127.82 3req s GLN 330 Ca 0.22 0.38 -0.22 0.00 0.05 0.00 0.00 55.36 55.80 3req s GLN 330 Cb 0.00 -0.16 -0.06 0.00 1.10 0.00 0.00 33.01 33.89 3req s GLN 330 CO 0.06 -0.16 1.21 0.95 -0.55 0.00 0.00 175.29 176.81 3req s THR 331 N 1.12 2.81 0.12 -0.34 -4.23 -0.93 -2.82 115.64 111.38 3req s THR 331 Ca -0.09 0.58 -0.31 0.00 -1.18 0.00 0.00 61.69 60.69 3req s THR 331 Cb -0.11 -3.28 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 3req s THR 331 CO -0.06 -0.03 1.51 -0.55 -0.54 0.00 0.00 174.62 174.95 3req s SER 332 N -1.34 6.68 0.18 3.99 0.15 0.75 -4.72 113.70 119.40 3req s SER 332 Ca 0.68 2.47 0.23 0.00 0.70 0.00 0.00 55.95 60.04 3req s SER 332 Cb -0.31 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.60 3req s SER 332 CO 0.37 -0.77 1.21 1.23 1.20 0.00 0.00 173.24 176.47 3req h GLY 333 N 7.17 0.00 1.11 9.45 0.00 -1.91 -3.20 103.07 115.69 3req h GLY 333 Ca -0.42 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3req h GLY 333 CO 0.90 0.00 -0.22 -0.25 0.00 0.00 0.00 176.54 176.97 3req h TRP 334 N 0.00 1.15 0.00 5.60 7.01 -1.92 -3.10 115.95 124.69 3req h TRP 334 Ca 0.00 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 60.72 3req h TRP 334 Cb 0.88 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 3req h TRP 334 CO 0.00 1.11 0.00 0.66 -2.79 0.00 0.00 178.44 177.42 3req h SER 335 N 0.86 0.00 -3.42 2.65 4.64 -1.97 -3.45 113.55 112.86 3req h SER 335 Ca 0.11 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.88 3req h SER 335 Cb 0.80 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3req h SER 335 CO 0.07 0.00 0.23 -0.76 -0.87 0.00 0.00 176.83 175.50 3req s LEU 336 N -5.05 4.38 0.22 5.97 1.43 -1.17 -5.08 118.68 119.38 3req s LEU 336 Ca 0.02 1.48 -0.07 0.00 -1.03 0.00 0.00 54.13 54.53 3req s LEU 336 Cb 0.09 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 3req s LEU 336 CO 0.41 -0.13 0.50 0.42 0.23 0.00 0.00 176.35 177.77 3req s THR 337 N 0.61 5.02 -0.17 5.49 -4.23 -1.26 -4.80 115.64 116.30 3req s THR 337 Ca 0.44 0.25 0.16 0.00 -1.18 0.00 0.00 61.69 61.35 3req s THR 337 Cb -0.20 -3.64 0.07 0.00 1.34 0.00 0.00 72.50 70.06 3req s THR 337 CO 0.24 -0.09 1.41 0.00 -0.54 0.00 0.00 174.62 175.65 3req h ALA 338 N 2.45 0.69 -3.30 3.99 0.00 -1.95 -3.41 119.26 117.73 3req h ALA 338 Ca -0.47 -0.45 -0.65 0.00 0.00 0.00 0.00 54.91 53.34 3req h ALA 338 Cb 1.17 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 3req h ALA 338 CO 0.70 0.61 -0.64 -0.65 0.00 0.00 0.00 179.25 179.26 3req s GLN 339 N -2.97 2.72 -1.31 0.00 1.11 -1.26 -4.52 119.66 113.43 3req s GLN 339 Ca 0.04 -0.72 -0.15 0.00 0.01 0.00 0.00 55.36 54.54 3req s GLN 339 Cb 0.07 -2.64 0.01 0.00 -1.01 0.00 0.00 33.01 29.45 3req s GLN 339 CO 0.75 0.58 0.51 -3.47 0.01 0.00 0.00 175.29 173.66 3req n ASP 340 N 0.81 -2.40 0.32 5.90 2.03 -1.26 -4.83 116.55 117.12 3req n ASP 340 Ca -0.11 -1.14 0.17 0.00 0.52 0.00 0.00 54.79 54.23 3req n ASP 340 Cb 0.52 -2.49 0.91 0.00 -0.72 0.00 0.00 41.12 39.35 3req n ASP 340 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3req h VAL 341 N -2.07 0.04 -0.00 5.18 -1.51 -1.80 -2.43 116.25 113.66 3req h VAL 341 Ca -0.67 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3req h VAL 341 Cb 1.38 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3req h VAL 341 CO 0.57 0.00 -0.03 -1.22 -1.23 0.00 0.00 177.57 175.67 3req n TYR 342 N -3.01 0.00 0.20 5.19 4.02 -1.26 -2.95 117.16 119.35 3req n TYR 342 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.97 3req n TYR 342 Cb 0.31 -0.06 0.20 0.00 -0.02 0.00 0.00 39.34 39.78 3req n TYR 342 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3req h ASN 343 N 0.75 0.00 0.42 7.72 2.35 -1.79 -3.18 115.58 121.85 3req h ASN 343 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3req h ASN 343 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3req h ASN 343 CO 0.00 0.16 -0.13 0.78 -1.65 0.00 0.00 177.43 176.59 3req h ASN 344 N 0.00 0.00 0.23 5.81 2.35 -1.76 -2.33 115.58 119.87 3req h ASN 344 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3req h ASN 344 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3req h ASN 344 CO 0.02 0.13 -0.11 0.58 -1.65 0.00 0.00 177.43 176.40 3req h VAL 345 N 0.00 0.79 -0.14 2.81 2.07 -1.74 0.19 116.25 120.22 3req h VAL 345 Ca -0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3req h VAL 345 Cb 0.37 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3req h VAL 345 CO 0.02 0.01 0.08 0.58 0.02 0.00 0.00 177.57 178.28 3req h VAL 346 N -0.33 1.08 -0.64 2.57 2.07 -1.62 -2.44 116.25 116.94 3req h VAL 346 Ca -0.03 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.40 3req h VAL 346 Cb 0.25 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 3req h VAL 346 CO 0.05 0.07 0.24 0.03 0.02 0.00 0.00 177.57 177.98 3req h ARG 347 N 0.15 0.40 0.00 1.57 3.08 -1.36 -1.72 114.38 116.50 3req h ARG 347 Ca 0.05 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3req h ARG 347 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3req h ARG 347 CO -0.01 0.27 -0.36 1.15 -1.07 0.00 0.00 179.97 179.95 3req h THR 348 N 0.42 0.77 -0.16 2.04 2.02 -0.52 -2.88 112.91 114.60 3req h THR 348 Ca 0.33 -1.57 -0.13 0.00 0.77 0.00 0.00 66.41 65.80 3req h THR 348 Cb 0.43 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3req h THR 348 CO -0.33 0.35 -0.48 0.00 0.37 0.00 0.00 175.52 175.43 3req h ILE 350 N 0.33 1.31 -0.33 0.00 6.09 -1.27 -2.58 117.51 121.05 3req h ILE 350 Ca 0.02 -2.92 -0.13 0.00 -1.37 0.00 0.00 64.86 60.46 3req h ILE 350 Cb 0.97 2.84 -0.01 0.00 0.47 0.00 0.00 36.82 41.09 3req h ILE 350 CO 0.08 0.85 -0.33 -0.33 -3.07 0.00 0.00 178.15 175.35 3req h GLU 351 N 0.07 0.72 -0.13 2.19 5.08 -1.52 0.89 114.58 121.89 3req h GLU 351 Ca -0.19 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 57.67 3req h GLU 351 Cb 2.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 3req h GLU 351 CO 0.18 0.95 -0.59 0.00 -1.00 0.00 0.00 179.01 178.54 3req h ALA 352 N 1.03 0.74 -0.43 3.43 0.00 -1.19 0.36 119.26 123.20 3req h ALA 352 Ca 0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3req h ALA 352 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3req h ALA 352 CO 0.07 0.71 -0.05 0.52 0.00 0.00 0.00 179.25 180.51 3req h MET 353 N 0.31 0.78 0.41 0.00 2.86 -1.39 -1.82 114.93 116.08 3req h MET 353 Ca -0.00 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3req h MET 353 Cb 1.12 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3req h MET 353 CO 0.10 0.88 -0.20 0.00 1.06 0.00 0.00 176.91 178.75 3req h ALA 354 N 0.88 -0.55 0.05 6.32 0.00 -0.41 -0.18 119.26 125.37 3req h ALA 354 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3req h ALA 354 Cb 0.55 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3req h ALA 354 CO 0.03 -0.76 -0.24 0.00 0.00 0.00 0.00 179.25 178.29 3req h ALA 355 N -0.10 -0.75 -0.65 0.00 0.00 -0.74 -2.94 119.26 114.06 3req h ALA 355 Ca -0.06 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.94 3req h ALA 355 Cb 0.48 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3req h ALA 355 CO 0.09 -0.81 0.07 1.79 0.00 0.00 0.00 179.25 180.39 3req h THR 356 N -0.34 0.51 0.00 0.00 1.35 -1.40 -1.90 112.91 111.13 3req h THR 356 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3req h THR 356 Cb 0.34 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 3req h THR 356 CO -0.13 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.17 3req n GLN 357 N -5.23 0.09 0.00 4.72 6.02 -0.08 -1.96 117.38 120.94 3req n GLN 357 Ca 0.11 0.32 0.10 0.00 -0.01 0.00 0.00 57.00 57.52 3req n GLN 357 Cb 0.39 -1.66 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 3req n GLN 357 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3req n GLY 358 N 0.08 -1.05 1.46 1.08 0.00 -1.06 -4.74 105.19 100.96 3req n GLY 358 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3req n GLY 358 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3req n HIS 359 N -1.52 0.00 -0.96 1.61 8.25 -0.74 -4.15 115.22 117.70 3req n HIS 359 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 3req n HIS 359 Cb 0.34 -2.02 0.18 0.00 1.12 0.00 0.00 29.99 29.61 3req n HIS 359 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3req s THR 360 N -2.97 2.33 -0.20 1.59 -1.32 -1.03 -4.93 115.64 109.10 3req s THR 360 Ca 0.00 0.11 0.06 0.00 -1.21 0.00 0.00 61.69 60.65 3req s THR 360 Cb 0.00 -2.42 -0.16 0.00 -1.51 0.00 0.00 72.50 68.41 3req s THR 360 CO 0.00 -0.14 -0.11 0.00 -2.21 0.00 0.00 174.62 172.16 3req n GLN 361 N -4.25 0.78 -4.20 7.08 3.00 -0.35 -4.77 117.38 114.68 3req n GLN 361 Ca 0.06 0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 56.96 3req n GLN 361 Cb 0.55 -1.43 -0.13 0.00 0.00 0.00 0.00 30.24 29.24 3req n GLN 361 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3req s SER 362 N -5.73 1.23 0.01 1.08 1.04 -1.18 -1.43 113.70 108.72 3req s SER 362 Ca -0.22 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.76 3req s SER 362 Cb 0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3req s SER 362 CO 0.56 -0.06 -0.03 -0.22 0.98 0.00 0.00 173.24 174.46 3req s LEU 363 N -1.23 2.08 -0.24 2.42 2.96 -0.91 0.33 118.68 124.09 3req s LEU 363 Ca -0.03 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3req s LEU 363 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.49 3req s LEU 363 CO 0.01 -0.05 0.03 -2.28 -1.32 0.00 0.00 176.35 172.73 3req s HIS 364 N -0.47 3.04 -0.19 5.38 5.65 -0.42 -0.77 115.29 127.51 3req s HIS 364 Ca -0.03 -0.61 -0.09 0.00 0.25 0.00 0.00 55.06 54.58 3req s HIS 364 Cb -0.04 -2.18 -0.05 0.00 -1.18 0.00 0.00 32.58 29.13 3req s HIS 364 CO -0.00 -0.42 0.12 0.95 -0.65 0.00 0.00 174.74 174.74 3req s THR 365 N 1.53 5.30 0.45 0.89 -4.23 -1.26 -2.20 115.64 116.13 3req s THR 365 Ca 0.06 0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 3req s THR 365 Cb -0.15 -3.40 -0.08 0.00 1.34 0.00 0.00 72.50 70.22 3req s THR 365 CO 0.01 0.47 1.13 0.20 -0.54 0.00 0.00 174.62 175.89 3req s ASN 366 N 0.17 6.28 0.36 3.99 0.01 -1.26 -4.88 114.94 119.61 3req s ASN 366 Ca 0.08 2.22 -0.13 0.00 -0.71 0.00 0.00 52.86 54.32 3req s ASN 366 Cb -0.11 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.87 3req s ASN 366 CO -0.01 -0.84 0.76 -0.44 -1.51 0.00 0.00 177.10 175.06 3req s SER 367 N -1.46 6.66 0.58 -1.22 0.01 -1.26 -4.67 113.70 112.34 3req s SER 367 Ca 0.63 1.22 0.28 0.00 1.31 0.00 0.00 55.95 59.39 3req s SER 367 Cb -0.26 -2.35 1.74 0.00 0.21 0.00 0.00 66.02 65.36 3req s SER 367 CO 0.32 -0.30 2.24 0.17 0.41 0.00 0.00 173.24 176.08 3req h LEU 368 N 1.80 0.00 -3.30 2.44 8.10 -1.87 -2.79 115.31 119.69 3req h LEU 368 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.41 3req h LEU 368 Cb 1.18 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.34 3req h LEU 368 CO 0.65 0.00 -0.04 -0.90 -4.11 0.00 0.00 178.44 174.04 3req n ASP 369 N -3.94 2.99 -1.33 0.17 5.68 -1.26 -4.67 116.55 114.19 3req n ASP 369 Ca -0.03 -3.45 0.10 0.00 -0.50 0.00 0.00 54.79 50.91 3req n ASP 369 Cb 0.09 -0.59 0.31 0.00 -1.14 0.00 0.00 41.12 39.79 3req n ASP 369 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3req n GLU 370 N -0.92 3.25 -0.01 0.11 2.13 -1.05 -3.89 120.64 120.25 3req n GLU 370 Ca 0.28 -2.70 -0.13 0.00 0.66 0.00 0.00 57.16 55.28 3req n GLU 370 Cb 0.96 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.89 3req n GLU 370 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3req h ALA 371 N 3.72 0.04 0.00 4.31 0.00 -1.83 -3.39 119.26 122.10 3req h ALA 371 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3req h ALA 371 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3req h ALA 371 CO 0.12 -0.25 -1.08 0.44 0.00 0.00 0.00 179.25 178.48 3req n ILE 372 N -4.86 0.04 -0.09 0.00 -5.35 -1.26 -5.01 119.36 102.83 3req n ILE 372 Ca -0.08 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3req n ILE 372 Cb 0.22 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 3req n ILE 372 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3req n ALA 373 N -1.79 0.00 -2.18 -1.28 0.00 -1.26 -5.15 120.51 108.85 3req n ALA 373 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 3req n ALA 373 Cb 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 3req n ALA 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3req s LEU 374 N 0.00 2.50 0.40 0.00 1.43 -1.25 -4.72 118.68 117.03 3req s LEU 374 Ca 0.00 -0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 51.86 3req s LEU 374 Cb 0.00 -0.03 -0.08 0.00 0.03 0.00 0.00 46.19 46.10 3req s LEU 374 CO 0.00 -0.48 1.13 -2.16 0.23 0.00 0.00 176.35 175.08 3req s PRO 375 N -3.77 4.07 0.55 1.29 0.04 -1.26 -4.59 135.00 131.34 3req s PRO 375 Ca 0.10 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 3req s PRO 375 Cb 0.05 -2.63 0.11 0.00 0.04 0.00 0.00 34.50 32.08 3req s PRO 375 CO -0.05 -0.28 0.76 0.25 0.04 0.00 0.00 177.00 177.72 3req n THR 376 N 0.01 0.00 0.06 1.26 -2.24 -1.26 -4.95 114.28 107.16 3req n THR 376 Ca 0.05 -1.12 -0.03 0.00 -2.27 0.00 0.00 64.05 60.67 3req n THR 376 Cb 0.47 -1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 3req n THR 376 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3req h ASP 377 N -0.51 0.00 0.45 3.42 5.19 -1.98 -2.51 116.42 120.47 3req h ASP 377 Ca -0.25 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 55.94 3req h ASP 377 Cb 0.90 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 3req h ASP 377 CO 0.26 0.77 -0.96 0.15 -3.12 0.00 0.00 179.24 176.34 3req h PHE 378 N 0.00 0.49 0.02 4.55 3.57 -1.99 -3.05 116.94 120.54 3req h PHE 378 Ca -0.09 -0.28 -0.21 0.00 3.53 0.00 0.00 57.97 60.92 3req h PHE 378 Cb 1.67 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 3req h PHE 378 CO 0.00 1.11 -0.95 0.66 -2.23 0.00 0.00 178.31 176.90 3req h SER 379 N 0.17 0.19 0.11 0.41 4.64 -1.96 -2.90 113.55 114.22 3req h SER 379 Ca -0.07 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 3req h SER 379 Cb 1.60 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 3req h SER 379 CO 0.16 1.04 -0.18 0.00 -0.87 0.00 0.00 176.83 176.97 3req h ALA 380 N 0.95 1.53 -0.12 5.18 0.00 -1.48 0.42 119.26 125.74 3req h ALA 380 Ca -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3req h ALA 380 Cb 1.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3req h ALA 380 CO 0.14 0.34 -0.04 -0.09 0.00 0.00 0.00 179.25 179.60 3req h ARG 381 N 0.14 0.23 -0.25 0.00 2.43 -1.61 -2.37 114.38 112.94 3req h ARG 381 Ca 0.03 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 3req h ARG 381 Cb 0.41 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3req h ARG 381 CO 0.03 0.54 -0.52 0.82 -1.51 0.00 0.00 179.97 179.33 3req h ILE 382 N -0.10 1.29 -0.57 1.20 2.04 -1.27 -0.11 117.51 120.01 3req h ILE 382 Ca 0.03 -1.73 0.07 0.00 1.00 0.00 0.00 64.86 64.24 3req h ILE 382 Cb 0.46 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 3req h ILE 382 CO 0.01 0.55 0.24 0.00 0.00 0.00 0.00 178.15 178.95 3req h ALA 383 N 0.85 0.73 0.00 1.87 0.00 -0.96 -2.22 119.26 119.53 3req h ALA 383 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3req h ALA 383 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3req h ALA 383 CO 0.11 -0.15 -0.60 -0.09 0.00 0.00 0.00 179.25 178.52 3req h ARG 384 N 0.45 0.00 -0.00 0.00 2.43 -1.00 -3.28 114.38 112.98 3req h ARG 384 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3req h ARG 384 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3req h ARG 384 CO -0.24 0.10 -0.42 0.09 -1.51 0.00 0.00 179.97 177.99 3req n ASN 385 N -2.94 0.45 -0.02 -3.80 5.03 -0.09 -2.23 115.26 111.66 3req n ASN 385 Ca 0.01 -0.18 -0.13 0.00 0.87 0.00 0.00 54.58 55.15 3req n ASN 385 Cb 0.60 0.14 -0.09 0.00 -1.02 0.00 0.00 39.78 39.41 3req n ASN 385 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3req h THR 386 N 0.05 1.35 0.42 3.41 2.02 -1.46 0.48 112.91 119.18 3req h THR 386 Ca 0.00 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 3req h THR 386 Cb 0.50 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3req h THR 386 CO 0.00 0.29 -0.20 1.56 0.37 0.00 0.00 175.52 177.54 3req h GLN 387 N -0.33 -0.54 -0.65 6.66 4.20 -1.65 -2.65 115.11 120.15 3req h GLN 387 Ca 0.01 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.89 3req h GLN 387 Cb 0.48 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.26 3req h GLN 387 CO 0.01 -0.23 -0.11 -0.07 -0.67 0.00 0.00 178.83 177.75 3req h LEU 388 N -0.92 -0.51 -0.94 1.46 3.38 -1.51 -0.96 115.31 115.30 3req h LEU 388 Ca -0.06 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3req h LEU 388 Cb 0.56 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 3req h LEU 388 CO 0.09 -0.19 0.60 0.15 0.09 0.00 0.00 178.44 179.19 3req h PHE 389 N 0.03 1.13 -0.45 1.13 3.57 -0.06 -2.30 116.94 119.99 3req h PHE 389 Ca 0.32 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.72 3req h PHE 389 Cb 0.51 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3req h PHE 389 CO -0.48 0.60 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.91 3req h LEU 390 N 1.12 0.97 -0.14 0.59 3.38 -0.82 0.26 115.31 120.67 3req h LEU 390 Ca 0.40 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3req h LEU 390 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3req h LEU 390 CO -0.16 1.16 -0.26 1.56 0.09 0.00 0.00 178.44 180.84 3req h GLN 391 N 0.78 -0.21 0.21 1.13 4.20 -1.20 -3.25 115.11 116.77 3req h GLN 391 Ca 0.10 0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.49 3req h GLN 391 Cb 0.79 0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.64 3req h GLN 391 CO 0.07 -0.14 -1.52 1.96 -0.67 0.00 0.00 178.83 178.53 3req h GLN 392 N -0.22 0.45 0.00 1.46 4.20 -1.45 -3.43 115.11 116.13 3req h GLN 392 Ca 0.03 -0.77 0.00 0.00 0.06 0.00 0.00 58.65 57.97 3req h GLN 392 Cb 0.29 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3req h GLN 392 CO -0.25 1.36 -1.27 0.39 -0.67 0.00 0.00 178.83 178.40 3req n GLU 393 N -3.64 0.93 -0.01 1.46 1.02 0.90 -4.76 120.64 116.54 3req n GLU 393 Ca -0.17 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 56.72 3req n GLU 393 Cb 1.08 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 31.26 3req n GLU 393 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3req h SER 394 N 0.00 0.91 -1.12 1.62 4.64 -1.58 -3.48 113.55 114.54 3req h SER 394 Ca 0.00 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 3req h SER 394 Cb 0.40 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3req h SER 394 CO 0.00 1.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 3req n GLY 395 N 0.73 0.87 0.34 -0.77 0.00 -1.26 -4.94 105.19 100.15 3req n GLY 395 Ca -0.08 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.37 3req n GLY 395 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3req n THR 396 N -2.15 0.00 0.88 2.61 -2.24 -1.26 -4.23 114.28 107.90 3req n THR 396 Ca 0.00 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3req n THR 396 Cb 0.48 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 3req n THR 396 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3req n THR 397 N 0.32 0.02 0.07 4.28 -2.24 -1.26 -4.69 114.28 110.77 3req n THR 397 Ca 0.05 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 3req n THR 397 Cb 0.23 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 3req n THR 397 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3req h ARG 398 N 0.00 -0.25 -6.83 -0.78 0.11 -1.88 -2.63 114.38 102.11 3req h ARG 398 Ca 0.00 0.02 -0.48 0.00 0.10 0.00 0.00 59.98 59.62 3req h ARG 398 Cb 0.56 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.68 3req h ARG 398 CO 0.00 0.04 0.30 0.08 0.10 0.00 0.00 179.97 180.49 3req s VAL 399 N -2.91 4.29 -0.22 0.08 1.01 -1.26 -4.19 120.40 117.20 3req s VAL 399 Ca -0.09 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.39 3req s VAL 399 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3req s VAL 399 CO 0.31 0.13 0.63 -0.63 0.00 0.00 0.00 175.10 175.54 3req s ILE 400 N -1.63 5.01 -0.57 2.22 1.01 -1.26 -4.42 121.20 121.56 3req s ILE 400 Ca 0.49 1.16 -0.24 0.00 0.00 0.00 0.00 60.65 62.06 3req s ILE 400 Cb -0.18 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3req s ILE 400 CO 0.23 0.08 0.64 -0.67 0.00 0.00 0.00 174.94 175.22 3req n ASP 401 N 5.31 -5.74 0.17 3.58 2.03 -1.26 -4.89 116.55 115.75 3req n ASP 401 Ca -0.01 -0.29 0.03 0.00 0.52 0.00 0.00 54.79 55.03 3req n ASP 401 Cb 0.49 -2.31 0.29 0.00 -0.72 0.00 0.00 41.12 38.87 3req n ASP 401 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3req h PRO 402 N 1.34 0.00 -0.24 -0.67 0.13 -1.85 -2.98 132.00 127.73 3req h PRO 402 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 3req h PRO 402 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3req h PRO 402 CO 0.27 0.46 -0.62 -1.49 -0.23 0.00 0.00 178.00 176.39 3req h TRP 403 N 0.00 1.06 -0.11 1.56 4.06 -1.90 -3.47 115.95 117.16 3req h TRP 403 Ca -0.00 -0.41 -0.09 0.00 2.06 0.00 0.00 58.89 60.45 3req h TRP 403 Cb 0.93 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 3req h TRP 403 CO 0.00 1.23 0.04 -1.13 -3.56 0.00 0.00 178.44 175.02 3req n SER 404 N -3.98 0.06 0.00 -3.49 3.41 -1.13 -4.58 113.62 103.91 3req n SER 404 Ca -0.05 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3req n SER 404 Cb 0.67 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3req n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3req n GLY 405 N 0.28 0.86 1.56 5.00 0.00 -1.26 -5.07 105.19 106.56 3req n GLY 405 Ca 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3req n GLY 405 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3req n SER 406 N -0.47 -6.20 -0.12 1.61 3.41 -1.26 -4.71 113.62 105.88 3req n SER 406 Ca 0.00 0.91 -0.06 0.00 -0.26 0.00 0.00 58.87 59.47 3req n SER 406 Cb 0.00 -3.40 0.01 0.00 -0.26 0.00 0.00 64.21 60.55 3req n SER 406 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3req h ALA 407 N 2.51 0.02 0.19 7.33 0.00 -1.91 -2.93 119.26 124.47 3req h ALA 407 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3req h ALA 407 Cb 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3req h ALA 407 CO 0.00 -0.61 -0.44 -0.92 0.00 0.00 0.00 179.25 177.28 3req h TYR 408 N -0.16 -1.26 -0.45 0.00 3.20 -1.89 0.33 116.97 116.74 3req h TYR 408 Ca 0.20 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 3req h TYR 408 Cb 0.48 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 3req h TYR 408 CO -0.48 -0.52 -0.22 0.28 -1.64 0.00 0.00 178.16 175.58 3req h VAL 409 N -0.69 1.27 -0.62 1.81 2.07 -1.86 -2.14 116.25 116.09 3req h VAL 409 Ca -0.02 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 3req h VAL 409 Cb 0.66 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3req h VAL 409 CO -0.19 0.47 0.23 -0.33 0.02 0.00 0.00 177.57 177.77 3req h GLU 410 N 0.77 0.93 -0.89 1.57 4.39 -1.37 -1.20 114.58 118.79 3req h GLU 410 Ca 0.10 -0.18 0.18 0.00 0.34 0.00 0.00 59.36 59.80 3req h GLU 410 Cb 0.79 -0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.19 3req h GLU 410 CO 0.07 0.80 0.46 1.49 -1.16 0.00 0.00 179.01 180.66 3req h GLU 411 N 0.87 0.56 0.00 2.33 4.57 -0.19 0.18 114.58 122.90 3req h GLU 411 Ca 0.20 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.18 3req h GLU 411 Cb 0.23 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3req h GLU 411 CO -0.01 0.37 -0.80 -0.07 -1.18 0.00 0.00 179.01 177.31 3req h LEU 412 N 0.58 0.00 0.11 1.64 3.38 -0.77 0.08 115.31 120.34 3req h LEU 412 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3req h LEU 412 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3req h LEU 412 CO -0.42 0.80 -0.09 0.74 0.09 0.00 0.00 178.44 179.57 3req h THR 413 N 0.00 0.81 0.60 0.22 2.02 -0.26 0.12 112.91 116.41 3req h THR 413 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3req h THR 413 Cb 1.45 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3req h THR 413 CO 0.10 0.00 -0.43 -0.25 0.37 0.00 0.00 175.52 175.32 3req h TRP 414 N -0.21 -1.15 -0.89 3.16 -0.00 -0.58 -0.90 115.95 115.38 3req h TRP 414 Ca -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.90 3req h TRP 414 Cb 0.19 0.42 -0.05 0.00 -0.00 0.00 0.00 29.16 29.72 3req h TRP 414 CO -0.10 -0.62 0.58 -0.44 -0.00 0.00 0.00 178.44 177.86 3req h ASP 415 N -0.99 0.99 -0.40 2.65 3.32 -1.02 -1.94 116.42 119.04 3req h ASP 415 Ca -0.07 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3req h ASP 415 Cb 0.82 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3req h ASP 415 CO 0.04 0.70 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.15 3req h LEU 416 N 1.16 0.71 -0.23 1.55 3.38 -0.73 -1.93 115.31 119.23 3req h LEU 416 Ca 0.34 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3req h LEU 416 Cb -0.07 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 3req h LEU 416 CO -0.10 0.87 -0.33 0.00 0.09 0.00 0.00 178.44 178.97 3req h ALA 417 N 0.87 -0.33 -0.20 1.53 0.00 -0.52 -0.71 119.26 119.91 3req h ALA 417 Ca 0.11 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3req h ALA 417 Cb 0.53 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3req h ALA 417 CO 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 179.25 178.47 3req h ARG 418 N -0.35 0.37 -0.33 0.00 3.08 -1.41 -1.32 114.38 114.43 3req h ARG 418 Ca 0.12 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3req h ARG 418 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3req h ARG 418 CO -0.42 0.60 0.05 -0.22 -1.07 0.00 0.00 179.97 178.90 3req h LYS 419 N 0.11 0.48 -0.36 0.04 3.64 -1.25 0.12 116.57 119.35 3req h LYS 419 Ca 0.05 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 3req h LYS 419 Cb 0.44 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3req h LYS 419 CO 0.01 0.47 -0.39 0.00 -2.27 0.00 0.00 179.45 177.28 3req h ALA 420 N 1.59 0.62 -0.29 5.00 0.00 -1.08 -3.17 119.26 121.93 3req h ALA 420 Ca 0.11 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.63 3req h ALA 420 Cb 0.23 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3req h ALA 420 CO 0.00 0.67 -0.20 2.35 0.00 0.00 0.00 179.25 182.08 3req h TRP 421 N 0.72 -0.51 -0.68 0.00 2.91 0.24 -2.78 115.95 115.85 3req h TRP 421 Ca 0.06 0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.26 3req h TRP 421 Cb 0.97 0.27 -0.12 0.00 -0.51 0.00 0.00 29.16 29.76 3req h TRP 421 CO 0.06 -0.28 -0.11 0.78 -1.03 0.00 0.00 178.44 177.87 3req h GLY 422 N -0.17 0.58 2.00 2.65 0.00 -1.46 0.16 103.07 106.83 3req h GLY 422 Ca 0.15 0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 3req h GLY 422 CO -0.40 -0.26 -0.02 0.45 0.00 0.00 0.00 176.54 176.32 3req h HIS 423 N 0.04 0.00 -0.08 5.60 3.86 -1.59 0.83 115.15 123.80 3req h HIS 423 Ca 0.34 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.39 3req h HIS 423 Cb 0.55 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.03 3req h HIS 423 CO -0.49 0.02 -0.59 0.82 0.86 0.00 0.00 177.93 178.55 3req h ILE 424 N 0.00 1.37 -0.14 2.45 2.04 -1.07 -2.34 117.51 119.81 3req h ILE 424 Ca -0.00 -1.93 0.01 0.00 1.00 0.00 0.00 64.86 63.94 3req h ILE 424 Cb 0.70 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3req h ILE 424 CO 0.00 0.58 0.07 1.56 0.00 0.00 0.00 178.15 180.36 3req h GLN 425 N 0.12 0.14 -0.75 2.37 1.08 0.01 -0.64 115.11 117.44 3req h GLN 425 Ca -0.05 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3req h GLN 425 Cb 1.25 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.61 3req h GLN 425 CO 0.12 0.09 0.50 1.49 -0.95 0.00 0.00 178.83 180.08 3req h GLU 426 N 0.15 0.95 0.00 1.46 4.81 -0.96 -2.71 114.58 118.28 3req h GLU 426 Ca 0.06 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 3req h GLU 426 Cb 0.01 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3req h GLU 426 CO -0.04 0.63 -0.90 -0.24 -0.73 0.00 0.00 179.01 177.73 3req h VAL 427 N 0.98 1.54 0.00 0.32 3.04 -1.06 -3.35 116.25 117.73 3req h VAL 427 Ca 0.28 -3.17 0.00 0.00 -1.01 0.00 0.00 66.70 62.80 3req h VAL 427 Cb -0.05 2.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3req h VAL 427 CO -0.07 0.88 -0.02 -0.33 -1.01 0.00 0.00 177.57 177.02 3req h GLU 428 N 0.00 0.00 -0.73 4.17 3.07 -0.80 -3.01 114.58 117.27 3req h GLU 428 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3req h GLU 428 Cb 1.68 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.59 3req h GLU 428 CO 0.12 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.36 3req n LYS 429 N -2.44 3.51 0.00 2.33 5.02 -1.13 -3.11 118.16 122.34 3req n LYS 429 Ca 0.05 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 3req n LYS 429 Cb 0.45 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3req n LYS 429 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3req n VAL 430 N 0.39 0.22 0.00 -0.18 0.24 -1.22 -5.01 118.33 112.77 3req n VAL 430 Ca 0.18 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3req n VAL 430 Cb 0.87 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.36 3req n VAL 430 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3req n GLY 431 N -0.11 2.93 0.00 7.63 0.00 -1.18 -4.31 105.19 110.15 3req n GLY 431 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3req n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3req n GLY 432 N -1.51 0.44 0.78 -0.02 0.00 -1.14 -4.92 105.19 98.82 3req n GLY 432 Ca 0.00 -1.46 0.09 0.00 0.00 0.00 0.00 46.02 44.66 3req n GLY 432 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3req n MET 433 N 0.00 1.70 -0.11 1.61 2.81 -1.26 -3.64 117.12 118.23 3req n MET 433 Ca 0.00 -1.68 -0.15 0.00 -1.81 0.00 0.00 57.70 54.06 3req n MET 433 Cb 0.00 -1.37 -0.14 0.00 -0.71 0.00 0.00 33.22 31.01 3req n MET 433 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3req n ALA 434 N 1.08 1.44 0.18 3.04 0.00 -1.26 -3.47 120.51 121.51 3req n ALA 434 Ca 0.12 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.26 3req n ALA 434 Cb 0.48 -0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 3req n ALA 434 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3req h LYS 435 N 0.00 -0.46 -0.94 0.00 1.57 -1.85 -2.45 116.57 112.44 3req h LYS 435 Ca -0.56 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.36 3req h LYS 435 Cb 2.03 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 34.38 3req h LYS 435 CO -0.04 -0.14 0.60 0.00 -0.57 0.00 0.00 179.45 179.30 3req h ALA 436 N -0.41 1.60 -0.49 3.86 0.00 -1.75 -0.17 119.26 121.90 3req h ALA 436 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3req h ALA 436 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3req h ALA 436 CO 0.08 0.20 0.08 0.97 0.00 0.00 0.00 179.25 180.58 3req h ILE 437 N 0.93 1.25 0.79 0.00 2.10 -1.58 0.11 117.51 121.11 3req h ILE 437 Ca 0.44 -0.92 -0.04 0.00 1.08 0.00 0.00 64.86 65.43 3req h ILE 437 Cb 0.44 0.89 -0.00 0.00 -1.09 0.00 0.00 36.82 37.06 3req h ILE 437 CO -0.21 0.33 -0.48 -0.33 -1.08 0.00 0.00 178.15 176.39 3req h GLU 438 N 0.69 -1.14 -0.41 2.19 5.08 -0.90 -3.16 114.58 116.93 3req h GLU 438 Ca 0.15 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 3req h GLU 438 Cb 0.39 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3req h GLU 438 CO 0.01 -0.76 0.55 0.87 -1.00 0.00 0.00 179.01 178.68 3req h LYS 439 N -1.18 0.00 0.00 2.33 1.57 -0.90 -3.46 116.57 114.92 3req h LYS 439 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3req h LYS 439 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3req h LYS 439 CO 0.11 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 3req n GLY 440 N -1.47 0.69 0.45 3.86 0.00 0.30 -5.03 105.19 103.98 3req n GLY 440 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3req n GLY 440 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3req h ILE 441 N 0.00 0.00 -0.30 -0.61 1.08 -1.62 -3.11 117.51 112.94 3req h ILE 441 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.37 3req h ILE 441 Cb 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 3req h ILE 441 CO 0.00 0.00 -0.22 1.55 -0.69 0.00 0.00 178.15 178.79 3req h PRO 442 N -0.96 0.68 0.00 2.37 0.13 -1.90 -2.93 132.00 129.39 3req h PRO 442 Ca -0.07 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3req h PRO 442 Cb 0.81 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3req h PRO 442 CO -0.01 0.94 0.00 -0.22 -0.23 0.00 0.00 178.00 178.47 3req h LYS 443 N 0.44 0.00 -0.10 0.86 3.64 -1.91 -2.85 116.57 116.65 3req h LYS 443 Ca 0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3req h LYS 443 Cb 0.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3req h LYS 443 CO 0.06 0.00 -0.01 1.98 -2.27 0.00 0.00 179.45 179.21 3req h MET 444 N 0.00 0.19 -0.35 1.90 4.05 -1.58 -2.76 114.93 116.38 3req h MET 444 Ca 0.00 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 3req h MET 444 Cb 0.84 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 3req h MET 444 CO 0.00 0.46 -0.24 0.00 0.23 0.00 0.00 176.91 177.35 3req h ARG 445 N -0.10 0.69 -0.22 0.39 3.08 -1.31 -2.18 114.38 114.72 3req h ARG 445 Ca 0.03 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.75 3req h ARG 445 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3req h ARG 445 CO 0.01 0.87 -0.06 0.82 -1.07 0.00 0.00 179.97 180.54 3req h ILE 446 N 0.60 1.29 -0.53 2.04 2.04 -1.62 -2.39 117.51 118.94 3req h ILE 446 Ca 0.08 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3req h ILE 446 Cb 0.73 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3req h ILE 446 CO 0.06 0.33 0.24 -0.33 0.00 0.00 0.00 178.15 178.44 3req h GLU 447 N 0.16 0.77 -0.08 2.37 5.08 -1.46 -1.10 114.58 120.32 3req h GLU 447 Ca 0.06 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3req h GLU 447 Cb 0.52 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3req h GLU 447 CO 0.02 0.66 -0.54 0.93 -1.00 0.00 0.00 179.01 179.08 3req h GLU 448 N 0.71 -0.59 0.00 2.33 5.08 -1.36 0.12 114.58 120.87 3req h GLU 448 Ca 0.18 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3req h GLU 448 Cb 0.15 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3req h GLU 448 CO -0.02 -0.40 -0.04 0.00 -1.00 0.00 0.00 179.01 177.56 3req h ALA 449 N -0.33 1.37 -0.01 3.43 0.00 -1.34 0.18 119.26 122.56 3req h ALA 449 Ca 0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3req h ALA 449 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3req h ALA 449 CO -0.41 0.05 -0.84 0.00 0.00 0.00 0.00 179.25 178.05 3req h ALA 450 N 1.96 0.53 -0.25 0.00 0.00 -0.32 0.19 119.26 121.37 3req h ALA 450 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3req h ALA 450 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3req h ALA 450 CO 0.01 0.85 0.11 0.00 0.00 0.00 0.00 179.25 180.22 3req h ALA 451 N 0.94 0.33 -0.27 0.00 0.00 0.23 -0.75 119.26 119.74 3req h ALA 451 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3req h ALA 451 Cb 1.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3req h ALA 451 CO 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 179.25 179.19 3req h ARG 452 N 0.27 0.45 -0.20 0.00 3.08 -0.55 -2.22 114.38 115.20 3req h ARG 452 Ca 0.09 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3req h ARG 452 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3req h ARG 452 CO -0.01 0.56 0.01 1.15 -1.07 0.00 0.00 179.97 180.62 3req h THR 453 N 0.42 1.25 -0.85 2.04 2.02 -0.25 -3.07 112.91 114.46 3req h THR 453 Ca 0.08 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3req h THR 453 Cb 0.45 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3req h THR 453 CO 0.03 0.26 0.47 -0.61 0.37 0.00 0.00 175.52 176.03 3req h GLN 454 N 0.12 1.17 -0.56 6.66 5.75 -0.89 -2.69 115.11 124.68 3req h GLN 454 Ca 0.06 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 3req h GLN 454 Cb 0.37 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3req h GLN 454 CO 0.01 0.85 0.23 0.00 -2.65 0.00 0.00 178.83 177.27 3req h ALA 455 N 1.34 0.73 -0.92 3.38 0.00 -1.44 0.42 119.26 122.76 3req h ALA 455 Ca 0.30 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3req h ALA 455 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3req h ALA 455 CO -0.05 0.34 0.61 0.00 0.00 0.00 0.00 179.25 180.15 3req h ARG 456 N 0.77 1.22 -0.15 0.00 3.08 -1.41 0.24 114.38 118.12 3req h ARG 456 Ca 0.19 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3req h ARG 456 Cb 0.19 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3req h ARG 456 CO -0.02 0.81 0.04 0.82 -1.07 0.00 0.00 179.97 180.55 3req h ILE 457 N 1.25 1.20 0.00 2.04 2.04 -1.11 0.50 117.51 123.43 3req h ILE 457 Ca 0.34 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3req h ILE 457 Cb -0.14 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3req h ILE 457 CO -0.07 0.19 -0.19 0.44 0.00 0.00 0.00 178.15 178.52 3req h ASP 458 N 0.05 0.00 1.76 1.72 3.32 0.40 -2.65 116.42 121.03 3req h ASP 458 Ca 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3req h ASP 458 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3req h ASP 458 CO 0.00 0.19 -0.24 0.28 -1.72 0.00 0.00 179.24 177.75 3req h SER 459 N 0.00 0.00 0.00 6.45 0.02 -0.49 -3.48 113.55 116.05 3req h SER 459 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3req h SER 459 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3req h SER 459 CO 0.02 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 3req n GLY 460 N 1.16 1.15 1.48 -3.77 0.00 -0.94 -5.01 105.19 99.26 3req n GLY 460 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3req n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3req n ARG 461 N -1.44 3.75 -3.30 1.61 1.74 0.17 -4.59 116.66 114.61 3req n ARG 461 Ca 0.00 -2.86 -0.25 0.00 -0.77 0.00 0.00 57.85 53.97 3req n ARG 461 Cb 0.00 -1.89 -0.08 0.00 -1.02 0.00 0.00 32.46 29.46 3req n ARG 461 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3req n GLN 462 N 0.82 0.33 -1.68 5.56 7.27 -1.16 -4.86 117.38 123.66 3req n GLN 462 Ca 0.25 -3.10 -0.49 0.00 0.07 0.00 0.00 57.00 53.72 3req n GLN 462 Cb 0.90 -1.55 -0.05 0.00 2.41 0.00 0.00 30.24 31.95 3req n GLN 462 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3req n PRO 463 N 2.50 2.04 -3.89 3.69 -0.02 -1.26 -4.77 135.00 133.28 3req n PRO 463 Ca 0.27 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 62.17 3req n PRO 463 Cb 0.50 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3req n PRO 463 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3req s LEU 464 N 4.19 4.70 -0.26 2.45 2.96 -1.26 -5.04 118.68 126.42 3req s LEU 464 Ca 0.94 -2.76 -0.38 0.00 -0.22 0.00 0.00 54.13 51.71 3req s LEU 464 Cb -0.73 -1.71 -0.14 0.00 0.50 0.00 0.00 46.19 44.11 3req s LEU 464 CO 0.53 -0.32 1.89 -0.38 -1.32 0.00 0.00 176.35 176.75 3req n ILE 465 N 3.50 0.34 0.00 6.68 2.08 -1.26 -1.21 119.36 129.49 3req n ILE 465 Ca 0.05 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.25 3req n ILE 465 Cb 0.36 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 3req n ILE 465 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3req n GLY 466 N 4.85 1.01 0.11 7.39 0.00 -0.72 -4.91 105.19 112.93 3req n GLY 466 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3req n GLY 466 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3req n VAL 467 N -1.74 0.00 1.06 1.61 0.31 -0.35 -4.14 118.33 115.08 3req n VAL 467 Ca 0.00 0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.73 3req n VAL 467 Cb 0.00 -1.26 0.20 0.00 -0.91 0.00 0.00 33.84 31.87 3req n VAL 467 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3req n ASN 468 N -2.15 0.85 -3.79 4.52 0.23 -1.05 -4.63 115.26 109.24 3req n ASN 468 Ca 0.00 -0.65 -0.13 0.00 -0.53 0.00 0.00 54.58 53.27 3req n ASN 468 Cb 0.00 0.37 -0.10 0.00 -2.08 0.00 0.00 39.78 37.97 3req n ASN 468 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 3req s LYS 469 N -2.83 0.49 -1.60 -3.83 2.20 -1.25 -4.91 119.74 108.01 3req s LYS 469 Ca 0.15 0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.70 3req s LYS 469 Cb 0.18 0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.79 3req s LYS 469 CO 0.67 -0.11 0.17 0.66 -0.36 0.00 0.00 175.35 176.39 3req n TYR 470 N 2.00 -1.19 -1.66 4.03 4.01 -1.26 -1.75 117.16 121.33 3req n TYR 470 Ca -0.18 0.62 -0.39 0.00 -0.16 0.00 0.00 57.90 57.78 3req n TYR 470 Cb 0.57 -2.45 0.04 0.00 -0.31 0.00 0.00 39.34 37.19 3req n TYR 470 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3req n ARG 471 N -4.33 1.35 -2.32 -0.72 0.63 -1.26 -4.28 116.66 105.73 3req n ARG 471 Ca -0.19 0.50 -0.37 0.00 -0.92 0.00 0.00 57.85 56.86 3req n ARG 471 Cb 0.61 -2.28 -0.02 0.00 0.45 0.00 0.00 32.46 31.22 3req n ARG 471 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3req s LEU 472 N -2.03 4.08 -0.08 6.15 1.43 -1.26 -4.96 118.68 122.01 3req s LEU 472 Ca 0.70 2.27 -0.20 0.00 -1.03 0.00 0.00 54.13 55.86 3req s LEU 472 Cb -0.46 -4.18 -0.16 0.00 0.03 0.00 0.00 46.19 41.42 3req s LEU 472 CO 0.51 -0.78 0.73 1.05 0.23 0.00 0.00 176.35 178.09 3req h GLU 473 N 2.28 -0.10 0.00 1.70 -0.00 -2.00 -3.41 114.58 113.05 3req h GLU 473 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3req h GLU 473 Cb 1.24 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 3req h GLU 473 CO 0.61 0.43 0.00 -2.39 -0.00 0.00 0.00 179.01 177.66 3req n HIS 474 N -4.80 0.00 -0.48 2.06 -0.00 -1.26 -5.07 115.22 105.67 3req n HIS 474 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 3req n HIS 474 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 3req n HIS 474 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3req n GLU 475 N 0.00 0.00 -1.46 -1.40 -0.58 -1.26 -5.04 120.64 110.89 3req n GLU 475 Ca 0.00 0.16 -0.49 0.00 -0.42 0.00 0.00 57.16 56.41 3req n GLU 475 Cb 0.00 -0.32 -0.03 0.00 -0.57 0.00 0.00 31.44 30.52 3req n GLU 475 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3req n PRO 476 N 0.01 0.34 -1.98 3.49 -0.02 -1.26 -4.86 135.00 130.71 3req n PRO 476 Ca 0.00 0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 3req n PRO 476 Cb 0.00 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3req n PRO 476 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3req n PRO 477 N 1.09 2.40 -1.73 0.52 -0.04 -1.26 -4.99 135.00 130.99 3req n PRO 477 Ca 0.17 -2.65 -0.42 0.00 -0.04 0.00 0.00 63.50 60.56 3req n PRO 477 Cb 0.24 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.27 3req n PRO 477 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3req s LEU 478 N 4.86 4.37 -0.53 1.53 1.02 -1.26 -4.92 118.68 123.75 3req s LEU 478 Ca 0.57 2.87 -0.24 0.00 0.02 0.00 0.00 54.13 57.34 3req s LEU 478 Cb 0.07 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.72 3req s LEU 478 CO 0.06 -0.98 0.93 -1.81 0.02 0.00 0.00 176.35 174.58 3req s ASP 479 N 1.24 6.37 -0.65 2.29 1.01 -1.26 -5.02 116.67 120.65 3req s ASP 479 Ca 0.75 -0.25 -0.28 0.00 0.71 0.00 0.00 52.55 53.49 3req s ASP 479 Cb -0.50 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.02 3req s ASP 479 CO 0.32 -1.18 1.29 -0.69 0.21 0.00 0.00 175.17 175.12 3req s VAL 480 N 3.88 3.82 0.26 -1.27 1.01 -1.26 -5.00 120.40 121.84 3req s VAL 480 Ca 0.32 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3req s VAL 480 Cb -0.12 -4.74 -0.10 0.00 0.00 0.00 0.00 36.38 31.42 3req s VAL 480 CO 0.21 -1.53 1.37 -0.76 0.00 0.00 0.00 175.10 174.39 3req s LEU 481 N 5.63 4.41 -0.67 3.92 1.43 -1.26 -4.97 118.68 127.17 3req s LEU 481 Ca 0.42 2.61 -0.22 0.00 -1.03 0.00 0.00 54.13 55.91 3req s LEU 481 Cb -0.08 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.59 3req s LEU 481 CO 0.21 -0.61 0.93 -1.59 0.23 0.00 0.00 176.35 175.52 3req s LYS 482 N -0.75 3.14 0.16 1.70 -2.85 -1.26 -5.03 119.74 114.86 3req s LYS 482 Ca 0.55 -1.01 -0.32 0.00 -1.00 0.00 0.00 55.97 54.19 3req s LYS 482 Cb -0.40 -4.30 -0.12 0.00 -2.06 0.00 0.00 37.83 30.95 3req s LYS 482 CO 0.45 -1.76 1.75 0.28 0.10 0.00 0.00 175.35 176.17 3req n VAL 483 N 5.81 0.14 -3.53 1.79 0.31 -1.26 -4.95 118.33 116.65 3req n VAL 483 Ca -0.02 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 3req n VAL 483 Cb 0.45 -1.97 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 3req n VAL 483 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3req s ASP 484 N 1.76 5.78 0.03 4.52 1.01 -1.26 -4.94 116.67 123.57 3req s ASP 484 Ca 0.78 -1.59 -0.19 0.00 0.71 0.00 0.00 52.55 52.26 3req s ASP 484 Cb -0.53 -2.04 -0.17 0.00 1.01 0.00 0.00 42.92 41.19 3req s ASP 484 CO 0.35 -0.62 1.24 -1.13 0.21 0.00 0.00 175.17 175.23 3req h ASN 485 N 8.51 0.49 0.00 0.27 -0.00 -1.94 -3.41 115.58 119.50 3req h ASN 485 Ca -0.24 -0.60 0.00 0.00 -0.00 0.00 0.00 56.30 55.46 3req h ASN 485 Cb 1.09 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 39.26 3req h ASN 485 CO 0.82 1.01 0.00 -1.20 -0.00 0.00 0.00 177.43 178.06 3req n SER 486 N -4.38 0.00 0.26 1.15 7.64 -1.26 -2.10 113.62 114.94 3req n SER 486 Ca -0.07 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.91 3req n SER 486 Cb 0.50 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.44 3req n SER 486 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3req h THR 487 N 0.00 0.82 0.00 0.44 2.02 -2.00 -2.63 112.91 111.56 3req h THR 487 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3req h THR 487 Cb 0.00 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3req h THR 487 CO 0.00 0.00 -1.05 1.33 0.37 0.00 0.00 175.52 176.17 3req n VAL 488 N -4.29 0.33 0.06 3.16 0.24 -0.89 -3.45 118.33 113.49 3req n VAL 488 Ca -0.03 -0.37 0.07 0.00 -2.04 0.00 0.00 64.34 61.97 3req n VAL 488 Cb 0.11 -0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.37 3req n VAL 488 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3req n LEU 489 N -2.25 0.68 0.06 1.34 7.94 -1.15 -3.56 117.00 120.07 3req n LEU 489 Ca 0.01 0.28 -0.06 0.00 -1.11 0.00 0.00 56.01 55.13 3req n LEU 489 Cb 0.49 0.01 -0.10 0.00 0.53 0.00 0.00 43.42 44.35 3req n LEU 489 CO 0.40 -0.03 0.09 0.00 -1.11 0.00 0.00 177.39 176.74 3req h ALA 490 N 1.78 0.46 -0.29 1.96 0.00 -1.59 -3.19 119.26 118.40 3req h ALA 490 Ca -0.07 -0.92 -0.08 0.00 0.00 0.00 0.00 54.91 53.84 3req h ALA 490 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3req h ALA 490 CO 0.01 1.20 -0.14 0.93 0.00 0.00 0.00 179.25 181.25 3req h GLU 491 N 0.00 0.60 -0.42 0.00 5.08 -1.65 -2.99 114.58 115.20 3req h GLU 491 Ca -0.05 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3req h GLU 491 Cb 1.74 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 3req h GLU 491 CO 0.11 0.84 0.03 1.96 -1.00 0.00 0.00 179.01 180.95 3req h GLN 492 N 0.35 0.73 -0.89 2.33 1.08 -1.64 -1.88 115.11 115.19 3req h GLN 492 Ca 0.06 -0.22 0.09 0.00 -1.45 0.00 0.00 58.65 57.13 3req h GLN 492 Cb 0.66 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.95 3req h GLN 492 CO 0.04 0.79 0.54 0.87 -0.95 0.00 0.00 178.83 180.12 3req h LYS 493 N 0.57 0.90 -0.08 1.46 1.57 -1.64 -1.83 116.57 117.53 3req h LYS 493 Ca 0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3req h LYS 493 Cb 0.44 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3req h LYS 493 CO 0.02 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.49 3req n ALA 494 N -2.36 2.57 -0.11 3.86 0.00 -1.11 -1.36 120.51 121.99 3req n ALA 494 Ca 0.15 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 3req n ALA 494 Cb 0.25 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 3req n ALA 494 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3req n LYS 495 N -0.06 0.68 0.17 0.00 5.02 -0.72 -4.01 118.16 119.23 3req n LYS 495 Ca 0.17 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.59 3req n LYS 495 Cb 0.26 -1.53 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 3req n LYS 495 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3req h LEU 496 N 0.00 0.00 0.45 -0.35 3.38 -1.34 -0.57 115.31 116.87 3req h LEU 496 Ca -0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3req h LEU 496 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 3req h LEU 496 CO -0.01 0.25 -0.22 1.62 0.09 0.00 0.00 178.44 180.17 3req h VAL 497 N 0.00 0.50 -0.35 1.22 3.04 -1.40 -3.20 116.25 116.05 3req h VAL 497 Ca -0.01 -0.39 -0.16 0.00 -1.01 0.00 0.00 66.70 65.13 3req h VAL 497 Cb 1.20 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3req h VAL 497 CO 0.03 0.06 -0.41 0.11 -1.01 0.00 0.00 177.57 176.35 3req h LYS 498 N -0.85 0.90 -0.07 4.17 1.57 -1.68 -3.23 116.57 117.38 3req h LYS 498 Ca -0.06 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 3req h LYS 498 Cb 0.57 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3req h LYS 498 CO 0.10 1.15 -0.11 1.25 -0.57 0.00 0.00 179.45 181.27 3req h LEU 499 N 0.71 0.10 0.00 2.94 5.85 -1.19 -2.64 115.31 121.08 3req h LEU 499 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3req h LEU 499 Cb 1.01 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3req h LEU 499 CO 0.10 0.22 -0.80 0.03 -0.34 0.00 0.00 178.44 177.65 3req h ARG 500 N 0.10 0.00 -0.61 1.25 -0.00 -1.58 -3.18 114.38 110.37 3req h ARG 500 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 3req h ARG 500 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.23 3req h ARG 500 CO 0.02 0.54 0.00 0.00 0.00 0.00 0.00 179.97 180.52 3req n ALA 501 N -2.29 3.69 0.00 0.04 0.00 -1.02 -4.02 120.51 116.91 3req n ALA 501 Ca -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.66 3req n ALA 501 Cb 0.80 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3req n ALA 501 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3req n GLU 502 N 0.69 2.11 -0.01 0.00 2.13 -1.07 -5.02 120.64 119.47 3req n GLU 502 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3req n GLU 502 Cb 1.10 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 32.00 3req n GLU 502 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3req n ARG 503 N -1.55 0.01 -3.62 5.31 1.85 -1.20 -5.09 116.66 112.36 3req n ARG 503 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 3req n ARG 503 Cb 0.31 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.57 3req n ARG 503 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3req s ASP 504 N -1.00 1.11 0.10 2.89 2.15 -1.26 -5.03 116.67 115.63 3req s ASP 504 Ca 0.00 0.08 -0.19 0.00 0.43 0.00 0.00 52.55 52.87 3req s ASP 504 Cb 0.00 0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 3req s ASP 504 CO 0.00 -0.28 1.13 -2.65 -0.17 0.00 0.00 175.17 173.21 3req n PRO 505 N 5.32 -0.28 -0.31 4.34 -0.02 -1.26 -2.08 135.00 140.71 3req n PRO 505 Ca -0.05 1.11 -0.11 0.00 -2.02 0.00 0.00 63.50 62.44 3req n PRO 505 Cb 0.50 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 3req n PRO 505 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3req h GLU 506 N 0.00 -0.14 -0.14 -0.52 3.07 -1.98 0.22 114.58 115.10 3req h GLU 506 Ca 0.10 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.00 3req h GLU 506 Cb 0.26 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 3req h GLU 506 CO -0.59 -0.09 -0.50 -0.22 -1.40 0.00 0.00 179.01 176.21 3req h LYS 507 N -0.15 -0.51 0.58 2.33 3.64 -1.80 -1.91 116.57 118.75 3req h LYS 507 Ca 0.15 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3req h LYS 507 Cb 0.50 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3req h LYS 507 CO -0.81 -0.34 -0.39 0.28 -2.27 0.00 0.00 179.45 175.92 3req h VAL 508 N -0.53 0.21 -1.00 2.00 2.07 -1.12 -3.22 116.25 114.67 3req h VAL 508 Ca 0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.76 3req h VAL 508 Cb 0.62 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 3req h VAL 508 CO -0.41 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.29 3req h LYS 509 N -0.93 0.65 -0.00 1.57 3.64 -0.51 -2.77 116.57 118.22 3req h LYS 509 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3req h LYS 509 Cb 0.77 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3req h LYS 509 CO 0.05 0.43 -0.28 0.00 -2.27 0.00 0.00 179.45 177.38 3req n ALA 510 N -2.36 3.05 0.00 5.00 0.00 -0.73 -2.72 120.51 122.75 3req n ALA 510 Ca 0.23 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 3req n ALA 510 Cb 0.63 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 3req n ALA 510 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3req h ALA 511 N 3.16 0.71 -0.39 0.00 0.00 -1.50 -2.69 119.26 118.55 3req h ALA 511 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 54.91 53.53 3req h ALA 511 Cb 0.48 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3req h ALA 511 CO 0.00 1.39 -0.22 -0.07 0.00 0.00 0.00 179.25 180.35 3req h LEU 512 N 0.00 0.87 -1.12 0.00 3.38 -1.56 0.39 115.31 117.27 3req h LEU 512 Ca -0.23 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 3req h LEU 512 Cb 1.89 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3req h LEU 512 CO 0.08 1.10 -0.35 0.44 0.09 0.00 0.00 178.44 179.80 3req h ASP 513 N 0.64 0.00 1.24 -0.43 3.32 -1.63 0.36 116.42 119.93 3req h ASP 513 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3req h ASP 513 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3req h ASP 513 CO 0.06 0.35 -0.77 0.11 -1.72 0.00 0.00 179.24 177.27 3req h LYS 514 N 0.00 0.00 -0.00 3.56 1.57 -1.31 0.43 116.57 120.82 3req h LYS 514 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3req h LYS 514 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3req h LYS 514 CO 0.04 0.63 -0.22 0.82 -0.57 0.00 0.00 179.45 180.16 3req h ILE 515 N 0.00 1.55 -0.24 1.86 2.04 0.23 -1.59 117.51 121.37 3req h ILE 515 Ca -0.03 -1.93 0.01 0.00 1.00 0.00 0.00 64.86 63.91 3req h ILE 515 Cb 1.54 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 40.38 3req h ILE 515 CO 0.08 0.53 0.15 0.74 0.00 0.00 0.00 178.15 179.65 3req h THR 516 N -0.53 1.04 -0.70 -0.27 2.02 -0.37 -0.39 112.91 113.72 3req h THR 516 Ca -0.03 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.10 3req h THR 516 Cb 0.98 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3req h THR 516 CO 0.04 0.06 0.42 -0.25 0.37 0.00 0.00 175.52 176.16 3req h TRP 517 N 0.30 0.78 0.00 3.16 7.01 -0.93 0.54 115.95 126.81 3req h TRP 517 Ca 0.09 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 3req h TRP 517 Cb -0.02 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3req h TRP 517 CO -0.07 0.41 -0.17 0.00 -2.79 0.00 0.00 178.44 175.82 3req h ALA 518 N 1.33 0.98 -0.07 2.65 0.00 -1.07 0.49 119.26 123.57 3req h ALA 518 Ca 0.30 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3req h ALA 518 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3req h ALA 518 CO -0.15 0.21 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 3req h ALA 519 N 1.83 0.12 0.00 0.00 0.00 0.26 -3.30 119.26 118.17 3req h ALA 519 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3req h ALA 519 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3req h ALA 519 CO 0.02 0.06 -0.26 0.78 0.00 0.00 0.00 179.25 179.85 3req h GLY 520 N -0.25 0.00 -6.87 0.00 0.00 0.19 -3.40 103.07 92.74 3req h GLY 520 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 3req h GLY 520 CO 0.04 0.00 -0.78 -1.31 0.00 0.00 0.00 176.54 174.49 3req s ASN 521 N -6.26 3.51 0.58 0.19 0.01 0.17 -5.03 114.94 108.11 3req s ASN 521 Ca 0.00 -2.06 -0.07 0.00 -0.71 0.00 0.00 52.86 50.03 3req s ASN 521 Cb 0.10 -0.69 -0.01 0.00 0.41 0.00 0.00 41.25 41.07 3req s ASN 521 CO 0.65 -0.34 0.90 -2.16 -1.51 0.00 0.00 177.10 174.64 3req s PRO 522 N 1.13 3.13 0.00 -0.60 0.04 -1.24 -4.41 135.00 133.05 3req s PRO 522 Ca 0.15 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.35 3req s PRO 522 Cb -0.21 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3req s PRO 522 CO -0.11 -0.60 0.00 -3.47 0.04 0.00 0.00 177.00 172.87 3req n ASP 523 N -2.56 0.00 -1.92 6.66 2.03 -1.26 -5.08 116.55 114.42 3req n ASP 523 Ca 0.04 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.16 3req n ASP 523 Cb 0.57 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.09 3req n ASP 523 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3req n ASP 524 N 0.00 4.04 -0.00 1.67 5.75 -1.26 -4.06 116.55 122.69 3req n ASP 524 Ca 0.00 -3.20 0.07 0.00 -0.01 0.00 0.00 54.79 51.66 3req n ASP 524 Cb 0.00 -0.78 -0.10 0.00 -1.03 0.00 0.00 41.12 39.21 3req n ASP 524 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3req n LYS 525 N -0.63 1.37 -4.00 0.11 4.01 -1.26 -4.87 118.16 112.89 3req n LYS 525 Ca 0.44 -0.07 -0.34 0.00 -0.51 0.00 0.00 58.31 57.83 3req n LYS 525 Cb 1.25 -1.27 -0.15 0.00 -0.51 0.00 0.00 35.03 34.35 3req n LYS 525 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3req s ASP 526 N -3.02 4.03 0.34 4.39 2.15 -1.26 -5.05 116.67 118.26 3req s ASP 526 Ca 0.00 -0.78 0.17 0.00 0.43 0.00 0.00 52.55 52.37 3req s ASP 526 Cb 0.10 -1.62 0.95 0.00 -0.30 0.00 0.00 42.92 42.05 3req s ASP 526 CO 0.61 -0.08 1.47 -0.65 -0.17 0.00 0.00 175.17 176.35 3req h PRO 527 N 7.99 0.00 -0.46 4.34 0.11 -1.92 -2.09 132.00 139.97 3req h PRO 527 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3req h PRO 527 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3req h PRO 527 CO 0.59 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 3req n ASP 528 N -2.18 3.62 -0.01 -2.05 9.92 -1.26 -3.97 116.55 120.62 3req n ASP 528 Ca -0.01 -2.24 -0.18 0.00 -0.53 0.00 0.00 54.79 51.83 3req n ASP 528 Cb 0.21 -0.39 -0.14 0.00 -0.64 0.00 0.00 41.12 40.16 3req n ASP 528 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3req n ARG 529 N 0.68 0.72 -1.37 -1.24 0.63 -0.79 -4.84 116.66 110.45 3req n ARG 529 Ca 0.18 0.26 -0.49 0.00 -0.92 0.00 0.00 57.85 56.88 3req n ARG 529 Cb 0.62 -1.71 -0.04 0.00 0.45 0.00 0.00 32.46 31.77 3req n ARG 529 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3req n ASN 530 N -3.35 -0.82 0.10 6.15 2.85 -1.25 -4.83 115.26 114.10 3req n ASN 530 Ca -0.29 1.09 -0.05 0.00 -0.11 0.00 0.00 54.58 55.22 3req n ASN 530 Cb 1.05 -0.90 0.09 0.00 1.24 0.00 0.00 39.78 41.26 3req n ASN 530 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3req h LEU 531 N 1.57 0.18 -0.03 1.20 3.38 -1.94 -1.93 115.31 117.73 3req h LEU 531 Ca -0.34 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.34 3req h LEU 531 Cb 1.38 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.09 3req h LEU 531 CO 0.57 0.82 -0.66 0.25 0.09 0.00 0.00 178.44 179.51 3req h LEU 532 N 0.10 0.64 -0.78 1.67 5.85 -1.92 -1.52 115.31 119.35 3req h LEU 532 Ca -0.02 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 58.05 3req h LEU 532 Cb 1.24 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3req h LEU 532 CO 0.10 1.27 0.47 0.50 -0.34 0.00 0.00 178.44 180.44 3req h LYS 533 N 0.07 0.82 -0.02 1.25 3.11 -1.86 -1.98 116.57 117.97 3req h LYS 533 Ca -0.07 -0.05 -0.18 0.00 -2.81 0.00 0.00 60.65 57.53 3req h LYS 533 Cb 1.34 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 3req h LYS 533 CO 0.13 0.54 -0.80 -0.07 -2.81 0.00 0.00 179.45 176.44 3req h LEU 534 N 0.85 0.26 -1.58 5.20 3.38 -1.33 -3.33 115.31 118.75 3req h LEU 534 Ca 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3req h LEU 534 Cb 0.20 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3req h LEU 534 CO -0.18 0.95 -0.06 0.00 0.09 0.00 0.00 178.44 179.24 3req h ILE 536 N 0.00 1.17 0.06 0.00 2.04 -1.59 0.13 117.51 119.32 3req h ILE 536 Ca -0.00 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.36 3req h ILE 536 Cb 0.49 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3req h ILE 536 CO 0.01 0.18 -0.44 0.44 0.00 0.00 0.00 178.15 178.34 3req h ASP 537 N 0.36 -1.32 -0.74 1.72 5.19 -1.64 0.31 116.42 120.30 3req h ASP 537 Ca 0.11 0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.62 3req h ASP 537 Cb 0.16 0.50 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 3req h ASP 537 CO -0.01 -0.49 0.28 0.00 -3.12 0.00 0.00 179.24 175.90 3req h ALA 538 N -0.17 0.96 -0.03 3.45 0.00 -1.63 0.29 119.26 122.13 3req h ALA 538 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3req h ALA 538 Cb 0.68 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3req h ALA 538 CO -0.29 0.60 -0.18 0.78 0.00 0.00 0.00 179.25 180.16 3req h GLY 539 N 1.07 -1.39 -0.10 0.00 0.00 -0.10 0.18 103.07 102.73 3req h GLY 539 Ca 0.24 0.67 0.18 0.00 0.00 0.00 0.00 47.33 48.42 3req h GLY 539 CO -0.02 -0.46 0.25 -0.09 0.00 0.00 0.00 176.54 176.22 3req h ARG 540 N -0.20 0.31 0.00 4.80 2.43 -0.20 -2.55 114.38 118.98 3req h ARG 540 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3req h ARG 540 Cb 0.23 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3req h ARG 540 CO -0.14 0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.53 3req n ALA 541 N -2.61 2.25 -0.84 2.80 0.00 0.10 -4.87 120.51 117.33 3req n ALA 541 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3req n ALA 541 Cb 0.51 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3req n ALA 541 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3req n MET 542 N -0.99 0.00 -2.57 0.00 2.81 -0.96 -4.34 117.12 111.08 3req n MET 542 Ca 0.15 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.64 3req n MET 542 Cb 0.07 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.01 3req n MET 542 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3req s ALA 543 N -2.00 3.34 0.92 3.04 0.00 0.58 -4.95 121.76 122.70 3req s ALA 543 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 3req s ALA 543 Cb 0.00 -3.33 0.15 0.00 0.00 0.00 0.00 23.12 19.94 3req s ALA 543 CO 0.00 -0.15 1.18 0.95 0.00 0.00 0.00 175.76 177.74 3req s THR 544 N -0.24 1.96 0.00 0.00 -4.23 -1.26 -4.58 115.64 107.30 3req s THR 544 Ca 0.48 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.75 3req s THR 544 Cb -0.28 -2.82 -0.18 0.00 1.34 0.00 0.00 72.50 70.55 3req s THR 544 CO 0.34 0.00 1.34 0.58 -0.54 0.00 0.00 174.62 176.34 3req h VAL 545 N -1.52 1.33 -0.27 2.29 2.07 -0.48 0.01 116.25 119.68 3req h VAL 545 Ca -0.48 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.06 3req h VAL 545 Cb 1.31 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 3req h VAL 545 CO 0.56 0.27 0.02 1.23 0.02 0.00 0.00 177.57 179.67 3req h GLY 546 N -0.34 0.27 1.70 2.17 0.00 -1.75 0.18 103.07 105.30 3req h GLY 546 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3req h GLY 546 CO 0.00 -0.04 0.12 0.83 0.00 0.00 0.00 176.54 177.45 3req h GLU 547 N 0.10 0.40 -0.02 4.80 5.08 -1.86 0.19 114.58 123.27 3req h GLU 547 Ca 0.13 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 3req h GLU 547 Cb 0.16 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.35 3req h GLU 547 CO -0.20 0.33 -0.97 0.52 -1.00 0.00 0.00 179.01 177.68 3req h MET 548 N 0.40 0.69 0.08 2.33 2.86 -0.35 -3.06 114.93 117.87 3req h MET 548 Ca 0.10 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 3req h MET 548 Cb 0.07 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3req h MET 548 CO -0.01 1.30 -0.06 1.03 1.06 0.00 0.00 176.91 180.23 3req h SER 549 N 0.37 -0.15 -0.89 1.22 0.87 -0.27 -2.61 113.55 112.08 3req h SER 549 Ca -0.12 0.01 0.24 0.00 -1.23 0.00 0.00 61.79 60.70 3req h SER 549 Cb 1.63 0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 63.50 3req h SER 549 CO 0.19 -0.10 0.25 0.44 -0.53 0.00 0.00 176.83 177.08 3req h ASP 550 N -0.14 0.01 -0.65 6.23 5.19 -0.74 -2.32 116.42 123.99 3req h ASP 550 Ca -0.00 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 3req h ASP 550 Cb 0.13 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 3req h ASP 550 CO -0.01 -0.17 0.30 0.00 -3.12 0.00 0.00 179.24 176.24 3req h ALA 551 N 1.80 0.84 0.00 3.45 0.00 -1.35 -3.24 119.26 120.75 3req h ALA 551 Ca 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3req h ALA 551 Cb 1.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3req h ALA 551 CO -0.67 0.42 -0.11 -0.07 0.00 0.00 0.00 179.25 178.82 3req h LEU 552 N 0.90 0.00 -0.11 0.00 3.38 -1.44 -3.35 115.31 114.70 3req h LEU 552 Ca 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3req h LEU 552 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3req h LEU 552 CO -0.02 0.11 -0.45 -0.08 0.09 0.00 0.00 178.44 178.09 3req h GLU 553 N 0.00 0.00 -0.45 1.13 4.81 -1.45 -3.08 114.58 115.54 3req h GLU 553 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3req h GLU 553 Cb 0.88 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3req h GLU 553 CO 0.01 0.45 -0.23 0.87 -0.73 0.00 0.00 179.01 179.39 3req h LYS 554 N 0.00 0.93 0.17 1.92 1.57 -1.69 0.99 116.57 120.46 3req h LYS 554 Ca -0.00 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3req h LYS 554 Cb 1.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3req h LYS 554 CO 0.06 1.06 -0.08 0.28 -0.57 0.00 0.00 179.45 180.19 3req h VAL 555 N 0.80 0.47 0.29 0.50 2.07 -1.80 -3.41 116.25 115.19 3req h VAL 555 Ca 0.10 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3req h VAL 555 Cb 0.79 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3req h VAL 555 CO 0.07 0.14 -0.14 -0.26 0.02 0.00 0.00 177.57 177.39 3req h PHE 556 N -0.99 -0.36 0.00 1.57 0.04 -1.58 -3.50 116.94 112.11 3req h PHE 556 Ca -0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3req h PHE 556 Cb 0.40 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3req h PHE 556 CO 0.06 -0.13 0.00 0.41 -0.60 0.00 0.00 178.31 178.05 3req n GLY 557 N 0.62 3.08 3.69 -1.45 0.00 0.34 -4.86 105.19 106.61 3req n GLY 557 Ca -0.06 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3req n GLY 557 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3req s ARG 558 N -3.61 4.37 0.31 1.61 0.52 -1.26 -4.06 118.95 116.83 3req s ARG 558 Ca 0.00 1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 55.96 3req s ARG 558 Cb 0.00 -3.53 -0.10 0.00 0.52 0.00 0.00 34.95 31.85 3req s ARG 558 CO 0.00 -0.19 1.17 -0.47 0.02 0.00 0.00 175.30 175.83 3req s TYR 559 N 1.64 3.37 -0.42 -0.53 5.04 0.14 -4.88 117.35 121.71 3req s TYR 559 Ca 0.40 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.65 3req s TYR 559 Cb -0.17 -3.41 0.14 0.00 0.35 0.00 0.00 41.96 38.86 3req s TYR 559 CO 0.16 -1.01 0.25 0.95 -1.34 0.00 0.00 175.55 174.55 3req s THR 560 N -1.18 1.05 0.26 4.34 -4.23 -1.26 -4.97 115.64 109.65 3req s THR 560 Ca 0.47 -2.39 -0.26 0.00 -1.18 0.00 0.00 61.69 58.32 3req s THR 560 Cb -0.34 -1.74 -0.16 0.00 1.34 0.00 0.00 72.50 71.60 3req s THR 560 CO 0.44 -0.95 0.44 0.00 -0.54 0.00 0.00 174.62 174.02 3req n ALA 561 N 3.58 -2.70 -2.64 3.99 0.00 -1.26 -4.91 120.51 116.57 3req n ALA 561 Ca 0.11 0.34 -0.40 0.00 0.00 0.00 0.00 53.44 53.49 3req n ALA 561 Cb 0.36 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 3req n ALA 561 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3req s GLN 562 N -1.06 4.14 -0.03 0.00 2.00 -1.26 -4.85 119.66 118.60 3req s GLN 562 Ca 0.62 0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 54.22 3req s GLN 562 Cb -0.83 -3.63 -0.05 0.00 0.80 0.00 0.00 33.01 29.30 3req s GLN 562 CO 0.58 -0.35 1.54 0.42 -0.50 0.00 0.00 175.29 176.98 3req s ILE 563 N 2.28 3.62 -0.34 -2.34 -1.09 -1.26 -4.86 121.20 117.21 3req s ILE 563 Ca 0.26 0.88 0.16 0.00 -2.23 0.00 0.00 60.65 59.72 3req s ILE 563 Cb -0.16 -3.57 0.42 0.00 -1.58 0.00 0.00 42.46 37.57 3req s ILE 563 CO 0.09 -0.04 0.86 0.54 -1.23 0.00 0.00 174.94 175.16 3req n ARG 564 N 6.33 1.08 -1.69 2.79 1.74 -1.26 -5.11 116.66 120.54 3req n ARG 564 Ca 0.15 -3.31 -0.44 0.00 -0.77 0.00 0.00 57.85 53.48 3req n ARG 564 Cb 0.43 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 3req n ARG 564 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3req n THR 565 N 0.07 0.14 -1.97 0.55 -1.04 -1.26 -4.94 114.28 105.83 3req n THR 565 Ca 0.15 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 3req n THR 565 Cb 0.76 -1.70 0.15 0.00 -1.82 0.00 0.00 70.33 67.71 3req n THR 565 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3req s ILE 566 N 0.86 2.02 -0.17 12.58 -5.25 -1.26 -5.11 121.20 124.86 3req s ILE 566 Ca 0.76 -0.04 -0.28 0.00 -0.99 0.00 0.00 60.65 60.09 3req s ILE 566 Cb -0.61 -2.98 0.10 0.00 2.95 0.00 0.00 42.46 41.92 3req s ILE 566 CO 0.38 0.00 0.87 -0.55 -1.79 0.00 0.00 174.94 173.84 3req s SER 567 N -4.78 -0.54 0.00 4.36 0.15 -1.26 -4.81 113.70 106.82 3req s SER 567 Ca 0.70 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.12 3req s SER 567 Cb -0.06 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3req s SER 567 CO 0.51 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.20 3req n GLY 568 N 1.43 3.19 0.23 9.45 0.00 -1.26 -4.91 105.19 113.33 3req n GLY 568 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 3req n GLY 568 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3req h VAL 569 N 0.00 0.50 -0.06 1.61 2.07 -1.97 -1.44 116.25 116.97 3req h VAL 569 Ca 0.00 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.94 3req h VAL 569 Cb 0.00 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3req h VAL 569 CO 0.00 0.09 -0.09 0.22 0.02 0.00 0.00 177.57 177.81 3req h TYR 570 N -0.91 -0.23 -0.07 1.57 3.20 -1.91 0.49 116.97 119.11 3req h TYR 570 Ca -0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3req h TYR 570 Cb 0.54 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3req h TYR 570 CO 0.02 -0.14 0.05 1.03 -1.64 0.00 0.00 178.16 177.48 3req h SER 571 N -0.13 0.09 0.09 -2.11 0.87 -1.93 0.35 113.55 110.77 3req h SER 571 Ca 0.05 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3req h SER 571 Cb 0.21 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3req h SER 571 CO -0.14 0.08 -0.35 0.50 -0.53 0.00 0.00 176.83 176.39 3req h LYS 572 N 0.09 -0.55 -0.85 2.24 3.64 -1.13 -1.27 116.57 118.74 3req h LYS 572 Ca 0.03 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3req h LYS 572 Cb 0.00 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3req h LYS 572 CO -0.01 -0.36 0.53 1.49 -2.27 0.00 0.00 179.45 178.83 3req h GLU 573 N -0.57 1.14 -0.04 1.90 4.57 -0.80 -3.26 114.58 117.51 3req h GLU 573 Ca 0.04 -0.09 -0.22 0.00 -1.18 0.00 0.00 59.36 57.90 3req h GLU 573 Cb 0.61 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3req h GLU 573 CO -0.23 0.78 -0.89 -0.24 -1.18 0.00 0.00 179.01 177.26 3req h VAL 574 N 1.16 1.35 0.00 0.32 3.04 0.09 -3.44 116.25 118.77 3req h VAL 574 Ca 0.31 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.74 3req h VAL 574 Cb -0.08 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 3req h VAL 574 CO -0.06 0.69 0.00 0.29 -1.01 0.00 0.00 177.57 177.47 3req n LYS 575 N -3.82 0.00 -3.20 4.17 5.02 -0.51 -4.69 118.16 115.13 3req n LYS 575 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3req n LYS 575 Cb 0.80 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.80 3req n LYS 575 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3req s ASN 576 N -4.00 -1.11 0.57 4.39 3.84 -1.26 -4.98 114.94 112.38 3req s ASN 576 Ca 0.00 -0.09 0.03 0.00 0.21 0.00 0.00 52.86 53.01 3req s ASN 576 Cb 0.00 1.79 0.06 0.00 -0.55 0.00 0.00 41.25 42.55 3req s ASN 576 CO 0.00 -0.30 0.79 0.42 -2.79 0.00 0.00 177.10 175.22 3req s THR 577 N 2.62 2.53 0.15 -5.21 -4.23 -1.26 -4.92 115.64 105.32 3req s THR 577 Ca 0.11 -0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 3req s THR 577 Cb -0.10 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 3req s THR 577 CO -0.24 0.00 1.56 -0.65 -0.54 0.00 0.00 174.62 174.75 3req h PRO 578 N 0.06 -0.32 -0.86 3.99 0.11 -2.00 -1.79 132.00 131.18 3req h PRO 578 Ca -0.38 0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.83 3req h PRO 578 Cb 1.29 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.40 3req h PRO 578 CO 0.46 -0.21 0.52 0.93 -0.21 0.00 0.00 178.00 179.49 3req h GLU 579 N -0.33 0.87 -0.52 1.05 3.07 -1.97 0.22 114.58 116.97 3req h GLU 579 Ca 0.12 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 3req h GLU 579 Cb 0.59 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3req h GLU 579 CO -0.60 0.58 -0.02 0.28 -1.40 0.00 0.00 179.01 177.84 3req h VAL 580 N 0.90 1.27 0.39 3.13 2.07 -1.79 0.35 116.25 122.56 3req h VAL 580 Ca 0.40 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3req h VAL 580 Cb 0.30 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3req h VAL 580 CO -0.22 0.40 -0.19 -0.33 0.02 0.00 0.00 177.57 177.25 3req h GLU 581 N 0.80 -0.50 -0.00 1.57 3.07 -0.00 -2.03 114.58 117.49 3req h GLU 581 Ca 0.15 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3req h GLU 581 Cb 0.55 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 3req h GLU 581 CO 0.03 -0.27 -0.03 1.49 -1.40 0.00 0.00 179.01 178.82 3req h GLU 582 N -0.63 -0.06 -0.65 2.33 4.81 -0.69 -0.02 114.58 119.67 3req h GLU 582 Ca -0.05 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3req h GLU 582 Cb 0.46 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 3req h GLU 582 CO 0.09 -0.04 0.23 0.00 -0.73 0.00 0.00 179.01 178.56 3req h ALA 583 N 0.94 0.85 0.00 2.92 0.00 -0.33 -0.39 119.26 123.24 3req h ALA 583 Ca 0.02 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3req h ALA 583 Cb 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3req h ALA 583 CO -0.04 -0.22 -0.40 0.00 0.00 0.00 0.00 179.25 178.59 3req h ARG 584 N 0.39 0.00 -0.24 0.00 3.08 -0.85 -2.88 114.38 113.87 3req h ARG 584 Ca 0.34 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.35 3req h ARG 584 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3req h ARG 584 CO -0.36 0.40 -0.01 0.93 -1.07 0.00 0.00 179.97 179.86 3req h GLU 585 N 0.00 0.44 0.00 0.04 5.08 0.40 -2.01 114.58 118.52 3req h GLU 585 Ca -0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3req h GLU 585 Cb 0.93 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3req h GLU 585 CO 0.05 0.62 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.24 3req h LEU 586 N 0.20 0.00 0.00 1.33 3.38 -0.99 -2.02 115.31 117.21 3req h LEU 586 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3req h LEU 586 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3req h LEU 586 CO 0.01 0.38 -0.26 0.58 0.09 0.00 0.00 178.44 179.24 3req h VAL 587 N 0.00 0.00 0.05 1.22 2.07 -1.52 0.40 116.25 118.47 3req h VAL 587 Ca -0.00 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3req h VAL 587 Cb 0.67 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3req h VAL 587 CO 0.05 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.28 3req h GLU 588 N 0.00 -0.07 -0.47 1.57 3.07 -1.08 -2.03 114.58 115.56 3req h GLU 588 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3req h GLU 588 Cb 1.00 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.87 3req h GLU 588 CO 0.00 -0.05 -0.28 0.39 -1.40 0.00 0.00 179.01 177.67 3req n GLU 589 N -2.27 -0.21 -0.13 2.33 1.02 -0.78 -1.07 120.64 119.52 3req n GLU 589 Ca -0.01 1.15 -0.08 0.00 -0.02 0.00 0.00 57.16 58.20 3req n GLU 589 Cb 0.03 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 3req n GLU 589 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3req h PHE 590 N 0.00 -1.10 -0.07 -0.32 3.04 -0.35 -1.39 116.94 116.75 3req h PHE 590 Ca 0.08 0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.09 3req h PHE 590 Cb 0.19 0.53 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3req h PHE 590 CO -0.89 -0.29 -0.04 1.49 -2.02 0.00 0.00 178.31 176.56 3req h GLU 591 N -0.18 -0.00 -0.21 1.11 4.81 -0.32 0.50 114.58 120.27 3req h GLU 591 Ca 0.06 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3req h GLU 591 Cb 0.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3req h GLU 591 CO -0.43 -0.00 -0.13 1.04 -0.73 0.00 0.00 179.01 178.76 3req n GLN 592 N -3.13 -0.09 0.16 1.92 3.00 -0.64 0.70 117.38 119.29 3req n GLN 592 Ca 0.00 0.80 0.12 0.00 -0.01 0.00 0.00 57.00 57.91 3req n GLN 592 Cb 0.02 -1.20 0.57 0.00 0.00 0.00 0.00 30.24 29.63 3req n GLN 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3req n ALA 593 N -2.93 1.25 -0.00 -1.58 0.00 -0.55 -2.86 120.51 113.84 3req n ALA 593 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3req n ALA 593 Cb 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3req n ALA 593 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3req n GLU 594 N -2.28 2.79 -3.61 0.00 4.07 0.12 -5.05 120.64 116.68 3req n GLU 594 Ca -0.00 -0.26 -0.20 0.00 -0.06 0.00 0.00 57.16 56.64 3req n GLU 594 Cb 0.10 -0.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 3req n GLU 594 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3req n GLY 595 N 0.47 -1.23 0.00 8.31 0.00 0.22 -4.96 105.19 108.01 3req n GLY 595 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3req n GLY 595 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3req n ARG 596 N -2.28 0.00 -2.50 1.61 1.85 -1.23 -5.06 116.66 109.04 3req n ARG 596 Ca -0.23 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.20 3req n ARG 596 Cb 0.65 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.03 3req n ARG 596 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3req s ARG 597 N -2.50 4.52 0.06 2.89 0.52 -1.26 -3.99 118.95 119.18 3req s ARG 597 Ca 0.00 1.70 -0.35 0.00 -0.52 0.00 0.00 55.73 56.55 3req s ARG 597 Cb 0.00 -3.34 -0.14 0.00 0.52 0.00 0.00 34.95 31.99 3req s ARG 597 CO 0.00 -0.09 1.58 -0.35 0.02 0.00 0.00 175.30 176.46 3req n PRO 598 N 3.29 1.79 -4.15 3.54 -0.04 -1.26 -4.57 135.00 133.60 3req n PRO 598 Ca 0.06 0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 63.82 3req n PRO 598 Cb 0.47 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 3req n PRO 598 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3req s ARG 599 N 1.56 3.70 -0.04 0.54 3.52 -1.26 -0.53 118.95 126.44 3req s ARG 599 Ca 0.84 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.10 3req s ARG 599 Cb -0.79 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 3req s ARG 599 CO 0.45 0.38 -0.12 -1.50 -0.81 0.00 0.00 175.30 173.70 3req s ILE 600 N 0.04 1.06 -0.25 4.11 2.07 -0.48 -1.45 121.20 126.31 3req s ILE 600 Ca 0.04 -0.50 -0.08 0.00 -1.41 0.00 0.00 60.65 58.70 3req s ILE 600 Cb -0.12 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 3req s ILE 600 CO 0.01 0.32 0.08 -0.22 -1.91 0.00 0.00 174.94 173.23 3req s LEU 601 N 0.23 3.52 -0.19 8.50 2.96 -1.14 0.20 118.68 132.76 3req s LEU 601 Ca -0.05 -0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 3req s LEU 601 Cb -0.11 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3req s LEU 601 CO 0.02 -0.02 0.70 -0.76 -1.32 0.00 0.00 176.35 174.96 3req s LEU 602 N 1.56 4.16 -0.00 -0.68 1.43 0.16 -0.16 118.68 125.14 3req s LEU 602 Ca 0.06 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 3req s LEU 602 Cb -0.15 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 3req s LEU 602 CO 0.04 -0.32 -0.15 0.00 0.23 0.00 0.00 176.35 176.16 3req s ALA 603 N 1.99 2.69 -0.35 4.21 0.00 0.11 -0.65 121.76 129.77 3req s ALA 603 Ca 0.32 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3req s ALA 603 Cb -0.16 -0.90 0.11 0.00 0.00 0.00 0.00 23.12 22.17 3req s ALA 603 CO 0.11 0.57 0.13 0.15 0.00 0.00 0.00 175.76 176.72 3req s LYS 604 N -1.15 1.00 0.18 0.00 -0.14 -1.26 -1.64 119.74 116.73 3req s LYS 604 Ca 0.14 -1.46 0.07 0.00 -1.36 0.00 0.00 55.97 53.36 3req s LYS 604 Cb -0.11 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 3req s LYS 604 CO 0.04 -1.03 0.03 -1.64 -0.76 0.00 0.00 175.35 172.00 3req s MET 605 N 1.16 2.52 1.16 1.68 -1.94 -1.26 -2.14 119.30 120.47 3req s MET 605 Ca 0.12 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 3req s MET 605 Cb -0.20 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.23 3req s MET 605 CO -0.16 0.45 0.00 0.41 -0.01 0.00 0.00 175.02 175.72 3req n GLY 606 N -0.25 -1.68 1.08 -0.03 0.00 -0.74 -4.41 105.19 99.15 3req n GLY 606 Ca -0.09 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.42 3req n GLY 606 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3req n GLN 607 N 0.00 2.57 -1.15 1.61 1.13 -1.26 -4.19 117.38 116.09 3req n GLN 607 Ca 0.00 -2.33 -0.38 0.00 -1.94 0.00 0.00 57.00 52.35 3req n GLN 607 Cb 0.00 -1.46 -0.02 0.00 0.11 0.00 0.00 30.24 28.87 3req n GLN 607 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3req n ASP 608 N 1.28 -1.68 -0.00 1.08 -0.08 -1.26 -4.93 116.55 110.96 3req n ASP 608 Ca 0.19 0.84 0.03 0.00 -1.51 0.00 0.00 54.79 54.34 3req n ASP 608 Cb 0.55 -0.78 -0.05 0.00 2.34 0.00 0.00 41.12 43.19 3req n ASP 608 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3req n GLY 609 N 1.83 -0.02 3.56 0.27 0.00 -1.26 -4.79 105.19 104.77 3req n GLY 609 Ca 0.13 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3req n GLY 609 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3req s HIS 610 N -2.11 1.31 0.00 1.61 3.76 -1.26 -4.76 115.29 113.84 3req s HIS 610 Ca -0.00 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 3req s HIS 610 Cb 0.05 -3.80 0.00 0.00 1.11 0.00 0.00 32.58 29.93 3req s HIS 610 CO 0.27 -2.56 0.88 -0.40 -0.85 0.00 0.00 174.74 172.08 3req n ASP 611 N 14.34 1.56 0.43 1.40 5.68 -1.26 -4.76 116.55 133.94 3req n ASP 611 Ca 0.30 -1.76 -0.17 0.00 -0.50 0.00 0.00 54.79 52.66 3req n ASP 611 Cb 0.53 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.43 3req n ASP 611 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3req h ARG 612 N 0.00 -1.06 0.15 0.11 2.43 -1.90 -2.06 114.38 112.05 3req h ARG 612 Ca 0.00 0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3req h ARG 612 Cb 0.58 0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 3req h ARG 612 CO 0.00 -0.70 -0.50 0.78 -1.51 0.00 0.00 179.97 178.03 3req h GLY 613 N -1.18 -1.08 -0.99 2.80 0.00 -1.96 -0.64 103.07 100.02 3req h GLY 613 Ca -0.11 0.61 0.15 0.00 0.00 0.00 0.00 47.33 47.97 3req h GLY 613 CO 0.18 -0.28 -0.42 -1.61 0.00 0.00 0.00 176.54 174.42 3req h GLN 614 N -0.75 -0.00 0.00 4.80 4.15 -1.85 0.37 115.11 121.82 3req h GLN 614 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3req h GLN 614 Cb 0.75 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 3req h GLN 614 CO -0.26 -0.00 -0.20 0.87 -1.93 0.00 0.00 178.83 177.30 3req h LYS 615 N -0.00 0.00 0.00 1.69 1.79 -1.22 -0.62 116.57 118.20 3req h LYS 615 Ca 0.32 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.72 3req h LYS 615 Cb 0.57 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3req h LYS 615 CO -0.98 0.20 -0.54 -0.39 -1.08 0.00 0.00 179.45 176.67 3req h VAL 616 N 0.00 0.43 0.18 0.50 -1.51 0.13 -2.90 116.25 113.09 3req h VAL 616 Ca -0.00 -1.65 -0.24 0.00 -1.23 0.00 0.00 66.70 63.57 3req h VAL 616 Cb 0.54 2.12 0.03 0.00 -2.13 0.00 0.00 31.29 31.84 3req h VAL 616 CO 0.03 0.25 -1.07 0.40 -1.23 0.00 0.00 177.57 175.94 3req h ILE 617 N 0.00 1.41 -0.78 7.19 1.08 -1.21 -3.23 117.51 121.98 3req h ILE 617 Ca -0.02 -2.59 -0.00 0.00 -0.39 0.00 0.00 64.86 61.86 3req h ILE 617 Cb 1.24 3.13 -0.04 0.00 -3.07 0.00 0.00 36.82 38.09 3req h ILE 617 CO 0.03 0.75 0.48 0.00 -0.69 0.00 0.00 178.15 178.73 3req h ALA 618 N 0.10 1.39 0.05 1.87 0.00 -1.14 0.76 119.26 122.29 3req h ALA 618 Ca -0.19 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 3req h ALA 618 Cb 1.84 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3req h ALA 618 CO 0.19 0.54 -1.44 0.00 0.00 0.00 0.00 179.25 178.54 3req h THR 619 N 1.06 1.21 -0.06 0.00 1.03 -1.69 -3.24 112.91 111.22 3req h THR 619 Ca 0.28 -2.95 -0.24 0.00 -0.01 0.00 0.00 66.41 63.50 3req h THR 619 Cb -0.07 2.67 0.01 0.00 -1.07 0.00 0.00 68.15 69.70 3req h THR 619 CO -0.06 0.76 -0.91 0.00 -0.01 0.00 0.00 175.52 175.31 3req h ALA 620 N 0.79 0.28 0.05 0.00 0.00 -1.45 -1.38 119.26 117.54 3req h ALA 620 Ca -0.19 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 3req h ALA 620 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3req h ALA 620 CO 0.12 0.71 -0.02 1.88 0.00 0.00 0.00 179.25 181.94 3req h TYR 621 N 0.41 -0.06 -0.82 0.00 -1.99 -1.04 0.25 116.97 113.72 3req h TYR 621 Ca -0.09 -0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.83 3req h TYR 621 Cb 1.54 0.02 -0.12 0.00 2.00 0.00 0.00 36.73 40.17 3req h TYR 621 CO 0.08 0.19 0.29 0.00 -0.00 0.00 0.00 178.16 178.72 3req h ALA 622 N 0.62 1.20 -0.15 3.88 0.00 -1.55 -1.24 119.26 122.01 3req h ALA 622 Ca -0.01 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3req h ALA 622 Cb 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3req h ALA 622 CO 0.01 -0.33 -0.57 -0.44 0.00 0.00 0.00 179.25 177.92 3req h ASP 623 N 0.34 0.53 -0.00 0.00 5.19 -1.12 -3.27 116.42 118.10 3req h ASP 623 Ca 0.49 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3req h ASP 623 Cb 0.88 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3req h ASP 623 CO -0.52 0.99 0.00 0.18 -3.12 0.00 0.00 179.24 176.77 3req n LEU 624 N -3.94 0.20 0.00 1.55 4.77 0.88 -4.93 117.00 115.54 3req n LEU 624 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3req n LEU 624 Cb 0.61 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3req n LEU 624 CO 0.46 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3req n GLY 625 N 1.02 3.42 3.52 -0.72 0.00 -1.01 -4.27 105.19 107.15 3req n GLY 625 Ca 0.23 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3req n GLY 625 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3req n PHE 626 N 0.00 -0.12 -3.01 1.61 3.01 -1.17 -4.85 117.46 112.94 3req n PHE 626 Ca 0.00 0.45 -0.41 0.00 1.01 0.00 0.00 57.45 58.50 3req n PHE 626 Cb 0.00 -2.02 -0.05 0.00 -0.01 0.00 0.00 39.48 37.39 3req n PHE 626 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3req s ASP 627 N -1.17 6.73 -0.17 4.37 1.11 0.31 -3.77 116.67 124.09 3req s ASP 627 Ca 0.71 0.90 -0.04 0.00 0.18 0.00 0.00 52.55 54.30 3req s ASP 627 Cb -0.45 -2.39 -0.03 0.00 1.07 0.00 0.00 42.92 41.13 3req s ASP 627 CO 0.52 -0.40 -0.03 -0.69 1.18 0.00 0.00 175.17 175.74 3req s VAL 628 N 2.45 3.86 -0.28 -1.27 1.01 -1.26 -1.38 120.40 123.54 3req s VAL 628 Ca 0.31 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3req s VAL 628 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3req s VAL 628 CO 0.09 0.48 0.02 -1.81 0.00 0.00 0.00 175.10 173.88 3req s ASP 629 N 0.52 4.81 -0.55 3.32 1.01 0.13 -5.00 116.67 120.91 3req s ASP 629 Ca -0.03 -0.79 -0.19 0.00 0.71 0.00 0.00 52.55 52.25 3req s ASP 629 Cb -0.14 -1.79 0.08 0.00 1.01 0.00 0.00 42.92 42.07 3req s ASP 629 CO 0.03 -0.17 0.67 -0.69 0.21 0.00 0.00 175.17 175.22 3req s VAL 630 N 1.43 4.83 0.33 -1.27 1.01 -1.26 0.36 120.40 125.83 3req s VAL 630 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3req s VAL 630 Cb -0.17 -4.40 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 3req s VAL 630 CO -0.00 -0.97 1.42 -0.83 0.00 0.00 0.00 175.10 174.72 3req s GLY 631 N 3.13 2.76 0.96 4.51 0.00 0.18 -4.95 107.32 113.91 3req s GLY 631 Ca 0.14 1.41 -0.11 0.00 0.00 0.00 0.00 44.72 46.16 3req s GLY 631 CO 0.09 2.16 1.10 2.56 0.00 0.00 0.00 173.10 179.02 3req s PRO 632 N -1.49 0.71 0.47 2.90 0.04 -1.26 -4.76 135.00 131.61 3req s PRO 632 Ca 0.54 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 3req s PRO 632 Cb -0.43 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3req s PRO 632 CO 0.54 -2.73 0.91 -0.51 0.04 0.00 0.00 177.00 175.25 3req s LEU 633 N -6.62 3.71 -0.21 -3.56 1.43 -1.26 -4.40 118.68 107.78 3req s LEU 633 Ca 0.66 1.44 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 3req s LEU 633 Cb -0.22 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.65 3req s LEU 633 CO 0.59 -0.51 0.05 0.49 0.23 0.00 0.00 176.35 177.20 3req n PHE 634 N -1.42 -0.21 -1.88 0.29 3.72 -1.26 -4.99 117.46 111.71 3req n PHE 634 Ca 0.05 0.05 -0.31 0.00 -0.05 0.00 0.00 57.45 57.19 3req n PHE 634 Cb 0.54 -1.43 0.01 0.00 -0.94 0.00 0.00 39.48 37.67 3req n PHE 634 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3req s GLN 635 N -4.50 3.46 0.30 -1.08 -0.21 -0.91 -4.74 119.66 111.98 3req s GLN 635 Ca 0.03 0.87 0.08 0.00 0.02 0.00 0.00 55.36 56.36 3req s GLN 635 Cb -0.01 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 3req s GLN 635 CO 0.03 -0.68 0.14 0.95 -2.12 0.00 0.00 175.29 173.61 3req s THR 636 N -3.00 3.57 -2.00 -0.19 -4.23 -1.26 -1.80 115.64 106.72 3req s THR 636 Ca 0.57 -1.64 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 3req s THR 636 Cb -0.12 -3.07 0.20 0.00 1.34 0.00 0.00 72.50 70.85 3req s THR 636 CO 0.49 -0.28 0.85 -0.81 -0.54 0.00 0.00 174.62 174.33 3req n PRO 637 N -1.12 0.43 -0.00 3.99 -0.05 -1.26 -0.98 135.00 136.00 3req n PRO 637 Ca -0.05 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.44 3req n PRO 637 Cb 0.60 -1.26 -0.06 0.00 -0.05 0.00 0.00 33.50 32.73 3req n PRO 637 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3req n GLU 638 N -0.76 2.44 0.02 0.54 2.13 -1.26 -4.28 120.64 119.47 3req n GLU 638 Ca 0.05 -0.04 0.05 0.00 0.66 0.00 0.00 57.16 57.88 3req n GLU 638 Cb 0.02 -1.03 -0.09 0.00 0.27 0.00 0.00 31.44 30.61 3req n GLU 638 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3req n GLU 639 N -1.47 0.64 -0.03 5.31 2.13 -0.16 -3.60 120.64 123.45 3req n GLU 639 Ca 0.00 0.06 -0.20 0.00 0.66 0.00 0.00 57.16 57.68 3req n GLU 639 Cb 0.17 -1.70 -0.13 0.00 0.27 0.00 0.00 31.44 30.05 3req n GLU 639 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3req h THR 640 N 0.00 1.20 -0.25 6.31 2.02 -1.56 -2.86 112.91 117.77 3req h THR 640 Ca -0.13 -2.35 -0.09 0.00 0.77 0.00 0.00 66.41 64.62 3req h THR 640 Cb 1.36 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.53 3req h THR 640 CO 0.02 0.59 -0.23 0.00 0.37 0.00 0.00 175.52 176.27 3req h ALA 641 N -0.14 1.14 0.00 6.16 0.00 -1.75 -1.22 119.26 123.45 3req h ALA 641 Ca -0.24 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.37 3req h ALA 641 Cb 1.48 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3req h ALA 641 CO -0.01 0.54 -0.33 -0.09 0.00 0.00 0.00 179.25 179.36 3req h ARG 642 N 0.42 -0.47 -0.18 0.00 2.43 -1.68 -0.21 114.38 114.70 3req h ARG 642 Ca 0.07 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3req h ARG 642 Cb 0.63 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 3req h ARG 642 CO 0.05 -0.31 -0.08 0.37 -1.51 0.00 0.00 179.97 178.48 3req h GLN 643 N -0.48 -0.06 -0.49 0.20 4.15 -1.14 0.17 115.11 117.45 3req h GLN 643 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3req h GLN 643 Cb 0.57 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 3req h GLN 643 CO -0.27 -0.04 0.19 0.00 -1.93 0.00 0.00 178.83 176.78 3req h ALA 644 N 1.11 1.41 0.03 3.38 0.00 -1.20 -3.05 119.26 120.94 3req h ALA 644 Ca 0.10 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3req h ALA 644 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3req h ALA 644 CO -0.22 0.45 -1.12 0.28 0.00 0.00 0.00 179.25 178.64 3req h VAL 645 N 0.70 1.60 0.00 0.00 2.07 -0.80 -2.38 116.25 117.44 3req h VAL 645 Ca 0.17 -3.28 0.00 0.00 0.82 0.00 0.00 66.70 64.41 3req h VAL 645 Cb 0.15 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3req h VAL 645 CO -0.01 0.93 0.00 -0.33 0.02 0.00 0.00 177.57 178.17 3req h GLU 646 N 0.02 0.00 0.00 1.57 5.08 -0.59 -3.19 114.58 117.47 3req h GLU 646 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3req h GLU 646 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 3req h GLU 646 CO 0.15 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 177.95 3req n ALA 647 N -1.84 2.01 -3.39 3.43 0.00 -1.16 -5.05 120.51 114.51 3req n ALA 647 Ca 0.02 -1.60 -0.21 0.00 0.00 0.00 0.00 53.44 51.65 3req n ALA 647 Cb 0.27 -0.36 0.01 0.00 0.00 0.00 0.00 19.45 19.36 3req n ALA 647 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3req n ASP 648 N -0.62 -3.70 -4.94 0.00 2.03 -1.17 -4.94 116.55 103.22 3req n ASP 648 Ca 0.06 -0.64 -0.24 0.00 0.52 0.00 0.00 54.79 54.49 3req n ASP 648 Cb 0.62 -1.20 0.01 0.00 -0.72 0.00 0.00 41.12 39.83 3req n ASP 648 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3req s VAL 649 N -2.47 4.17 -0.15 5.18 -7.23 -0.90 -4.95 120.40 114.05 3req s VAL 649 Ca 0.05 -0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.71 3req s VAL 649 Cb -0.01 -3.57 -0.18 0.00 0.56 0.00 0.00 36.38 33.19 3req s VAL 649 CO 0.68 -0.45 0.42 0.45 -0.31 0.00 0.00 175.10 175.88 3req h HIS 650 N 0.30 0.00 -3.83 2.82 3.86 -1.60 -3.48 115.15 113.23 3req h HIS 650 Ca -0.46 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.28 3req h HIS 650 Cb 1.24 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.51 3req h HIS 650 CO 0.48 0.90 -0.79 0.54 0.86 0.00 0.00 177.93 179.92 3req s VAL 651 N -2.16 1.38 -0.25 2.45 0.11 -1.14 -3.31 120.40 117.47 3req s VAL 651 Ca -0.18 -1.50 -0.07 0.00 -2.93 0.00 0.00 61.98 57.30 3req s VAL 651 Cb 0.00 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 3req s VAL 651 CO 0.52 -0.22 0.05 -0.69 -3.33 0.00 0.00 175.10 171.42 3req s VAL 652 N -1.47 4.11 -0.57 2.04 1.01 -0.94 -2.88 120.40 121.71 3req s VAL 652 Ca 0.04 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3req s VAL 652 Cb -0.09 -2.93 0.11 0.00 0.00 0.00 0.00 36.38 33.48 3req s VAL 652 CO 0.03 0.34 0.63 -0.83 0.00 0.00 0.00 175.10 175.27 3req s GLY 653 N 1.58 1.88 -0.29 4.51 0.00 0.77 -2.55 107.32 113.22 3req s GLY 653 Ca 0.06 -2.29 -0.23 0.00 0.00 0.00 0.00 44.72 42.26 3req s GLY 653 CO 0.02 1.44 0.78 0.14 0.00 0.00 0.00 173.10 175.49 3req s VAL 654 N 2.32 4.81 -0.58 1.40 1.01 -0.83 0.06 120.40 128.60 3req s VAL 654 Ca 0.09 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.24 3req s VAL 654 Cb -0.26 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.15 3req s VAL 654 CO 0.06 -0.20 0.44 -0.55 0.00 0.00 0.00 175.10 174.85 3req s SER 655 N 1.56 5.72 -0.24 3.32 0.15 -0.65 0.84 113.70 124.40 3req s SER 655 Ca 0.32 -2.34 -0.16 0.00 0.70 0.00 0.00 55.95 54.47 3req s SER 655 Cb -0.14 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 3req s SER 655 CO 0.11 -0.57 0.42 -0.55 1.20 0.00 0.00 173.24 173.85 3req s SER 656 N 1.93 6.36 0.00 5.45 0.15 0.21 -4.67 113.70 123.13 3req s SER 656 Ca 0.11 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.19 3req s SER 656 Cb -0.21 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 3req s SER 656 CO -0.03 -0.17 0.00 0.18 1.20 0.00 0.00 173.24 174.41 3req n LEU 657 N 5.10 0.00 -0.18 3.45 4.32 -1.26 -2.63 117.00 125.80 3req n LEU 657 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 3req n LEU 657 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 3req n LEU 657 CO 0.39 0.00 0.14 0.00 -1.22 0.00 0.00 177.39 176.70 3req n ALA 658 N -1.38 1.72 -0.87 -1.18 0.00 -1.26 -4.69 120.51 112.85 3req n ALA 658 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3req n ALA 658 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3req n ALA 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3req n GLY 659 N 0.01 0.73 2.66 0.00 0.00 -1.26 -4.93 105.19 102.40 3req n GLY 659 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3req n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3req n GLY 660 N -2.00 5.77 0.13 -0.02 0.00 -1.26 -4.72 105.19 103.10 3req n GLY 660 Ca 0.00 -2.57 -0.00 0.00 0.00 0.00 0.00 46.02 43.45 3req n GLY 660 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3req h HIS 661 N 2.71 0.00 0.00 1.61 2.07 -1.94 -3.12 115.15 116.48 3req h HIS 661 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 3req h HIS 661 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 3req h HIS 661 CO 1.06 0.63 0.00 1.28 -3.07 0.00 0.00 177.93 177.83 3req n LEU 662 N -3.50 0.05 -0.04 6.12 4.77 -1.26 -2.79 117.00 120.35 3req n LEU 662 Ca 0.00 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.45 3req n LEU 662 Cb 0.69 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3req n LEU 662 CO 0.42 -0.23 -0.76 0.35 -1.33 0.00 0.00 177.39 175.83 3req n THR 663 N -1.56 0.51 0.36 -5.08 -2.24 -1.25 -4.64 114.28 100.39 3req n THR 663 Ca 0.04 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3req n THR 663 Cb 0.20 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.55 3req n THR 663 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3req h LEU 664 N 0.00 -0.78 0.00 3.22 3.38 -1.48 -1.64 115.31 118.01 3req h LEU 664 Ca -0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3req h LEU 664 Cb 1.40 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.35 3req h LEU 664 CO -0.01 -0.54 0.00 0.52 0.09 0.00 0.00 178.44 178.50 3req n VAL 665 N -4.55 0.00 -0.20 1.22 0.31 -1.12 -1.43 118.33 112.56 3req n VAL 665 Ca -0.11 1.49 -0.05 0.00 -0.01 0.00 0.00 64.34 65.65 3req n VAL 665 Cb 0.36 -2.13 -0.05 0.00 -0.91 0.00 0.00 33.84 31.11 3req n VAL 665 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3req n PRO 666 N -2.68 -0.21 -0.14 5.55 -0.02 -1.24 -0.31 135.00 135.94 3req n PRO 666 Ca 0.00 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.33 3req n PRO 666 Cb 0.00 -1.36 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 3req n PRO 666 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3req h ALA 667 N 0.05 -0.15 -0.47 3.55 0.00 -0.99 0.42 119.26 121.68 3req h ALA 667 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3req h ALA 667 Cb 0.20 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3req h ALA 667 CO -0.45 -0.71 0.25 1.25 0.00 0.00 0.00 179.25 179.59 3req h LEU 668 N -0.23 0.59 0.16 0.00 5.85 0.17 0.26 115.31 122.11 3req h LEU 668 Ca 0.19 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3req h LEU 668 Cb 0.54 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3req h LEU 668 CO -0.58 0.52 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.61 3req h ARG 669 N 0.62 -0.52 -0.63 1.25 9.65 0.16 0.25 114.38 125.15 3req h ARG 669 Ca 0.16 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.14 3req h ARG 669 Cb 0.06 0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 28.67 3req h ARG 669 CO -0.03 -0.35 -0.56 0.87 2.80 0.00 0.00 179.97 182.71 3req h LYS 670 N -0.54 -0.22 -0.25 0.20 1.57 -0.14 -1.13 116.57 116.06 3req h LYS 670 Ca -0.02 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3req h LYS 670 Cb 0.52 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.80 3req h LYS 670 CO -0.14 -0.15 -0.52 0.93 -0.57 0.00 0.00 179.45 179.00 3req h GLU 671 N -0.23 -0.47 -0.73 3.15 4.39 -0.02 -2.64 114.58 118.03 3req h GLU 671 Ca 0.11 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.90 3req h GLU 671 Cb 0.51 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.17 3req h GLU 671 CO -0.72 -0.31 -0.44 -0.07 -1.16 0.00 0.00 179.01 176.30 3req h LEU 672 N -0.49 -1.63 -0.64 1.33 3.38 0.71 -1.17 115.31 116.80 3req h LEU 672 Ca 0.06 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.35 3req h LEU 672 Cb 0.64 0.72 -0.10 0.00 0.09 0.00 0.00 40.66 42.01 3req h LEU 672 CO -0.50 -0.18 -0.54 0.44 0.09 0.00 0.00 178.44 177.75 3req h ASP 673 N -0.02 -1.87 -1.16 -0.43 3.32 -1.24 -2.61 116.42 112.40 3req h ASP 673 Ca 0.12 0.27 0.38 0.00 0.02 0.00 0.00 57.03 57.82 3req h ASP 673 Cb 0.32 0.81 -0.13 0.00 0.22 0.00 0.00 39.33 40.54 3req h ASP 673 CO -0.70 -0.33 0.72 0.11 -1.72 0.00 0.00 179.24 177.32 3req h LYS 674 N -0.23 0.17 -0.40 3.56 1.57 -0.84 -1.54 116.57 118.86 3req h LYS 674 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3req h LYS 674 Cb 0.53 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3req h LYS 674 CO -0.73 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 179.54 3req n LEU 675 N -4.84 3.28 0.00 2.94 4.32 -1.01 -4.95 117.00 116.74 3req n LEU 675 Ca 0.34 -1.44 0.00 0.00 -0.02 0.00 0.00 56.01 54.90 3req n LEU 675 Cb 1.23 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.77 3req n LEU 675 CO 0.16 0.72 0.00 0.61 -1.22 0.00 0.00 177.39 177.66 3req n GLY 676 N 1.47 0.54 2.63 -0.72 0.00 -0.58 -5.11 105.19 103.42 3req n GLY 676 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3req n GLY 676 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3req s ARG 677 N 0.00 1.60 0.31 1.61 1.81 -1.04 -4.92 118.95 118.31 3req s ARG 677 Ca 0.00 -2.64 0.08 0.00 -1.72 0.00 0.00 55.73 51.45 3req s ARG 677 Cb 0.00 -2.33 0.49 0.00 -0.45 0.00 0.00 34.95 32.67 3req s ARG 677 CO 0.00 -1.33 1.71 -1.00 -0.68 0.00 0.00 175.30 174.00 3req h PRO 678 N 5.58 0.16 -0.38 3.54 0.13 -1.83 -3.20 132.00 136.00 3req h PRO 678 Ca 0.20 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3req h PRO 678 Cb 0.84 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 3req h PRO 678 CO 0.53 0.57 0.24 0.38 -0.23 0.00 0.00 178.00 179.48 3req h ASP 679 N 0.13 0.40 -0.87 1.44 2.03 -1.97 -3.44 116.42 114.14 3req h ASP 679 Ca 0.01 -0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.64 3req h ASP 679 Cb 0.83 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.21 3req h ASP 679 CO 0.06 0.29 1.43 -0.38 -1.03 0.00 0.00 179.24 179.61 3req n ILE 680 N -4.85 0.13 -1.78 4.15 5.41 -1.21 -4.91 119.36 116.30 3req n ILE 680 Ca 0.01 -0.22 -0.30 0.00 1.00 0.00 0.00 62.75 63.23 3req n ILE 680 Cb 0.04 -1.44 0.06 0.00 -0.71 0.00 0.00 39.64 37.60 3req n ILE 680 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3req s LEU 681 N 7.39 2.77 -0.08 1.39 1.43 -1.21 -4.83 118.68 125.55 3req s LEU 681 Ca 1.12 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 3req s LEU 681 Cb -0.96 -3.87 -0.00 0.00 0.03 0.00 0.00 46.19 41.39 3req s LEU 681 CO 0.51 -1.58 -0.23 -0.63 0.23 0.00 0.00 176.35 174.64 3req s ILE 682 N -3.32 1.96 0.10 -0.59 1.01 -1.22 -2.21 121.20 116.94 3req s ILE 682 Ca 0.59 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 60.34 3req s ILE 682 Cb -0.12 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3req s ILE 682 CO 0.52 0.54 -0.16 0.42 0.00 0.00 0.00 174.94 176.26 3req s THR 683 N 0.14 2.96 -0.13 2.92 -4.23 -1.06 -0.09 115.64 116.15 3req s THR 683 Ca -0.12 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3req s THR 683 Cb -0.16 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3req s THR 683 CO 0.06 0.15 -0.12 0.54 -0.54 0.00 0.00 174.62 174.71 3req s VAL 684 N -1.12 1.37 0.04 2.29 0.11 -0.24 -1.97 120.40 120.88 3req s VAL 684 Ca 0.18 -0.52 0.08 0.00 -2.93 0.00 0.00 61.98 58.79 3req s VAL 684 Cb -0.11 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 3req s VAL 684 CO 0.10 0.42 -0.23 -0.83 -3.33 0.00 0.00 175.10 171.23 3req s GLY 685 N 1.47 1.25 0.00 6.54 0.00 0.25 -0.84 107.32 115.98 3req s GLY 685 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3req s GLY 685 CO -0.08 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3req n GLY 686 N 1.84 0.61 3.56 0.20 0.00 -0.79 0.63 105.19 111.24 3req n GLY 686 Ca -0.17 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 3req n GLY 686 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3req s VAL 687 N -2.24 3.53 -0.05 1.61 1.01 -1.08 -4.00 120.40 119.17 3req s VAL 687 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3req s VAL 687 Cb 0.00 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.17 3req s VAL 687 CO 0.00 -1.18 0.03 -0.63 0.00 0.00 0.00 175.10 173.33 3req s ILE 688 N 8.65 0.09 0.66 2.22 1.09 -1.26 -4.79 121.20 127.86 3req s ILE 688 Ca 0.63 0.30 -0.15 0.00 -1.10 0.00 0.00 60.65 60.32 3req s ILE 688 Cb -0.07 -0.31 0.00 0.00 -1.06 0.00 0.00 42.46 41.03 3req s ILE 688 CO 0.03 0.21 1.11 -2.16 -0.10 0.00 0.00 174.94 174.04 3req s PRO 689 N 2.06 2.78 0.58 2.79 0.04 -1.26 -4.95 135.00 137.04 3req s PRO 689 Ca 0.05 1.40 0.37 0.00 0.04 0.00 0.00 61.00 62.85 3req s PRO 689 Cb -0.12 -1.95 1.72 0.00 0.04 0.00 0.00 34.50 34.19 3req s PRO 689 CO -0.04 -1.27 2.11 1.49 0.04 0.00 0.00 177.00 179.33 3req h GLU 690 N 0.01 0.00 -0.09 4.56 4.81 -2.00 -2.09 114.58 119.78 3req h GLU 690 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3req h GLU 690 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3req h GLU 690 CO 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 3req n GLN 691 N -3.04 1.72 -0.41 1.92 10.64 -1.26 -4.01 117.38 122.93 3req n GLN 691 Ca -0.01 -1.07 0.08 0.00 -1.83 0.00 0.00 57.00 54.17 3req n GLN 691 Cb 0.22 -1.44 0.25 0.00 -0.86 0.00 0.00 30.24 28.41 3req n GLN 691 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3req n ASP 692 N 0.29 3.82 0.10 2.61 9.92 -0.78 -4.67 116.55 127.83 3req n ASP 692 Ca 0.18 -2.62 -0.19 0.00 -0.53 0.00 0.00 54.79 51.63 3req n ASP 692 Cb 0.35 -0.46 -0.15 0.00 -0.64 0.00 0.00 41.12 40.22 3req n ASP 692 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 3req h PHE 693 N 2.32 0.63 -0.63 1.24 -1.00 -1.70 -3.07 116.94 114.74 3req h PHE 693 Ca 0.00 -0.46 0.05 0.00 2.81 0.00 0.00 57.97 60.37 3req h PHE 693 Cb 1.26 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.74 3req h PHE 693 CO 0.49 1.43 0.34 -0.44 -1.61 0.00 0.00 178.31 178.52 3req h ASP 694 N 0.09 0.51 0.56 2.17 5.19 -1.89 -1.92 116.42 121.14 3req h ASP 694 Ca -0.22 0.03 -0.24 0.00 -0.62 0.00 0.00 57.03 55.98 3req h ASP 694 Cb 2.05 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 41.49 3req h ASP 694 CO 0.21 0.33 -1.06 -0.08 -3.12 0.00 0.00 179.24 175.52 3req h GLU 695 N 0.64 0.27 -0.36 3.56 4.81 -1.89 -2.91 114.58 118.70 3req h GLU 695 Ca 0.28 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 3req h GLU 695 Cb 0.16 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3req h GLU 695 CO -0.17 1.11 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.99 3req h LEU 696 N 0.12 0.66 -0.54 1.64 3.38 -1.38 -1.39 115.31 117.80 3req h LEU 696 Ca -0.09 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3req h LEU 696 Cb 1.74 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 3req h LEU 696 CO 0.17 0.83 -0.06 0.03 0.09 0.00 0.00 178.44 179.50 3req h ARG 697 N 0.60 1.00 -0.15 1.13 3.08 -1.36 -0.43 114.38 118.25 3req h ARG 697 Ca 0.10 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.84 3req h ARG 697 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3req h ARG 697 CO 0.04 1.03 0.12 0.87 -1.07 0.00 0.00 179.97 180.96 3req h LYS 698 N 0.87 0.00 -0.40 0.04 1.57 -1.31 -2.49 116.57 114.85 3req h LYS 698 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3req h LYS 698 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3req h LYS 698 CO 0.04 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 3req n ASP 699 N -4.32 4.73 0.00 0.86 9.92 -0.54 -4.95 116.55 122.25 3req n ASP 699 Ca 0.01 -2.99 0.00 0.00 -0.53 0.00 0.00 54.79 51.28 3req n ASP 699 Cb 0.24 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 3req n ASP 699 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3req n GLY 700 N -0.01 1.34 3.56 0.44 0.00 -0.94 -3.70 105.19 105.88 3req n GLY 700 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3req n GLY 700 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3req s ALA 701 N -1.00 3.10 0.00 4.61 0.00 -0.18 -3.37 121.76 124.92 3req s ALA 701 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3req s ALA 701 Cb 0.00 -3.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 3req s ALA 701 CO 0.00 -2.44 0.69 -0.39 0.00 0.00 0.00 175.76 173.61 3req h VAL 702 N 6.12 0.00 -2.71 0.00 -1.51 -0.79 -3.28 116.25 114.08 3req h VAL 702 Ca -0.25 -0.02 -0.66 0.00 -1.23 0.00 0.00 66.70 64.54 3req h VAL 702 Cb 1.06 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 30.16 3req h VAL 702 CO 1.13 0.00 -0.45 -1.61 -1.23 0.00 0.00 177.57 175.41 3req s GLU 703 N -2.47 3.49 -0.37 5.19 0.41 -1.26 -4.88 118.70 118.82 3req s GLU 703 Ca -0.01 -0.10 -0.06 0.00 -0.41 0.00 0.00 54.97 54.39 3req s GLU 703 Cb 0.00 -3.18 0.06 0.00 -1.78 0.00 0.00 34.13 29.24 3req s GLU 703 CO 0.03 0.75 0.16 0.42 -0.49 0.00 0.00 175.26 176.13 3req s ILE 704 N -1.08 3.77 -0.25 -1.63 1.01 -1.26 -1.08 121.20 120.67 3req s ILE 704 Ca 0.18 -1.38 -0.10 0.00 0.00 0.00 0.00 60.65 59.34 3req s ILE 704 Cb -0.13 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 3req s ILE 704 CO 0.07 -0.35 0.16 -0.31 0.00 0.00 0.00 174.94 174.51 3req s TYR 705 N 1.36 3.26 0.33 3.97 2.02 -0.02 -5.01 117.35 123.25 3req s TYR 705 Ca 0.01 0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 3req s TYR 705 Cb -0.21 -2.30 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 3req s TYR 705 CO 0.01 -0.05 0.30 0.95 -1.57 0.00 0.00 175.55 175.19 3req s THR 706 N 1.34 3.70 -0.12 -0.71 -4.23 -1.26 -1.88 115.64 112.47 3req s THR 706 Ca 0.07 -1.33 -0.41 0.00 -1.18 0.00 0.00 61.69 58.84 3req s THR 706 Cb -0.15 -3.24 -0.19 0.00 1.34 0.00 0.00 72.50 70.27 3req s THR 706 CO 0.07 -0.19 1.31 -2.65 -0.54 0.00 0.00 174.62 172.61 3req n PRO 707 N -1.38 0.34 0.00 3.99 -0.02 -1.26 -2.88 135.00 133.79 3req n PRO 707 Ca -0.02 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3req n PRO 707 Cb 0.59 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3req n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3req n GLY 708 N 2.52 1.55 3.42 -1.23 0.00 -1.26 -5.08 105.19 105.11 3req n GLY 708 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3req n GLY 708 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3req s THR 709 N -2.00 4.59 0.07 2.61 2.01 -1.14 -5.02 115.64 116.76 3req s THR 709 Ca 0.00 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 3req s THR 709 Cb 0.00 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 3req s THR 709 CO 0.00 -0.04 1.92 0.52 -0.69 0.00 0.00 174.62 176.33 3req n VAL 710 N 4.99 0.61 0.08 3.82 0.31 -1.26 -4.93 118.33 121.95 3req n VAL 710 Ca -0.13 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 63.93 3req n VAL 710 Cb 0.48 -2.23 -0.10 0.00 -0.91 0.00 0.00 33.84 31.09 3req n VAL 710 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3req h ILE 711 N 5.25 0.00 -0.88 2.52 2.04 -1.95 -2.91 117.51 121.59 3req h ILE 711 Ca -0.49 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.53 3req h ILE 711 Cb 1.23 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.16 3req h ILE 711 CO 0.94 0.00 -0.28 -2.65 0.00 0.00 0.00 178.15 176.16 3req n PRO 712 N -5.33 -0.14 -0.29 2.37 -0.02 -1.26 -0.74 135.00 129.59 3req n PRO 712 Ca -0.08 1.37 -0.01 0.00 -2.02 0.00 0.00 63.50 62.76 3req n PRO 712 Cb 0.39 -2.04 0.11 0.00 -0.02 0.00 0.00 33.50 31.94 3req n PRO 712 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3req h GLU 713 N 0.00 0.91 -0.86 -0.52 5.08 -1.81 -1.92 114.58 115.46 3req h GLU 713 Ca 0.37 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 3req h GLU 713 Cb 0.59 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 3req h GLU 713 CO -0.89 0.60 0.52 0.66 -1.00 0.00 0.00 179.01 178.90 3req h SER 714 N 0.94 0.78 0.75 1.42 4.64 -0.84 -0.98 113.55 120.26 3req h SER 714 Ca 0.34 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.66 3req h SER 714 Cb 0.10 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3req h SER 714 CO -0.15 0.47 -0.46 0.00 -0.87 0.00 0.00 176.83 175.82 3req h ALA 715 N 1.44 -1.19 -0.34 5.18 0.00 -1.13 0.15 119.26 123.37 3req h ALA 715 Ca 0.40 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3req h ALA 715 Cb 0.28 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3req h ALA 715 CO -0.21 -1.18 -0.31 0.82 0.00 0.00 0.00 179.25 178.37 3req h ILE 716 N -1.14 0.00 -0.23 0.00 2.04 -1.18 0.14 117.51 117.14 3req h ILE 716 Ca -0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3req h ILE 716 Cb 0.92 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3req h ILE 716 CO 0.10 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.02 3req h SER 717 N -0.13 -0.09 -0.35 1.72 4.64 -1.11 0.90 113.55 119.12 3req h SER 717 Ca 0.06 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3req h SER 717 Cb 0.28 0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.39 3req h SER 717 CO -0.39 -0.01 -0.43 0.25 -0.87 0.00 0.00 176.83 175.38 3req h LEU 718 N 0.07 -1.45 -0.80 5.97 5.85 -0.24 -1.99 115.31 122.73 3req h LEU 718 Ca 0.11 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3req h LEU 718 Cb 0.13 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3req h LEU 718 CO -0.18 -0.30 0.36 0.58 -0.34 0.00 0.00 178.44 178.56 3req h VAL 719 N -0.28 1.26 0.76 1.05 2.07 -0.32 0.41 116.25 121.20 3req h VAL 719 Ca 0.06 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3req h VAL 719 Cb 0.44 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3req h VAL 719 CO -0.48 0.32 -0.41 0.11 0.02 0.00 0.00 177.57 177.13 3req h LYS 720 N 1.14 -1.04 -0.98 1.57 1.57 -0.71 -1.01 116.57 117.11 3req h LYS 720 Ca 0.27 0.07 0.22 0.00 -1.87 0.00 0.00 60.65 59.34 3req h LYS 720 Cb 0.16 0.24 -0.12 0.00 0.08 0.00 0.00 32.23 32.59 3req h LYS 720 CO -0.03 -0.69 0.57 -0.22 -0.57 0.00 0.00 179.45 178.51 3req h LYS 721 N -1.07 0.59 -0.13 3.15 3.64 -1.25 -1.59 116.57 119.90 3req h LYS 721 Ca -0.10 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 3req h LYS 721 Cb 0.84 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3req h LYS 721 CO 0.14 0.39 -0.52 1.25 -2.27 0.00 0.00 179.45 178.44 3req h LEU 722 N 0.61 0.41 0.00 5.20 5.85 0.11 -3.23 115.31 124.26 3req h LEU 722 Ca 0.61 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.12 3req h LEU 722 Cb 1.10 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3req h LEU 722 CO -0.45 0.86 -0.40 -0.09 -0.34 0.00 0.00 178.44 178.02 3req h ARG 723 N 0.29 0.00 0.01 1.25 2.43 -0.17 -3.22 114.38 114.97 3req h ARG 723 Ca 0.01 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.97 3req h ARG 723 Cb 1.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 3req h ARG 723 CO 0.09 0.00 -0.97 0.00 -1.51 0.00 0.00 179.97 177.58 3req h ALA 724 N 2.31 0.41 0.04 2.80 0.00 -1.60 -3.14 119.26 120.09 3req h ALA 724 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 3req h ALA 724 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3req h ALA 724 CO 0.00 1.14 -0.02 0.66 0.00 0.00 0.00 179.25 181.03 3req h SER 725 N 0.02 -0.05 0.24 0.00 4.64 -1.60 -3.06 113.55 113.75 3req h SER 725 Ca -0.03 -0.33 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 3req h SER 725 Cb 1.69 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3req h SER 725 CO 0.13 0.31 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.89 3req h LEU 726 N -0.41 0.27 0.06 5.97 3.38 -1.63 -3.23 115.31 119.72 3req h LEU 726 Ca -0.01 -0.12 -0.36 0.00 0.09 0.00 0.00 57.88 57.49 3req h LEU 726 Cb 0.38 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3req h LEU 726 CO 0.01 0.68 -2.08 0.47 0.09 0.00 0.00 178.44 177.61 3req n ASP 727 N -4.00 1.60 -0.49 -0.43 8.00 -1.18 -5.13 116.55 114.92 3req n ASP 727 Ca -0.02 0.15 0.14 0.00 0.71 0.00 0.00 54.79 55.78 3req n ASP 727 Cb 0.50 -0.39 0.52 0.00 -0.02 0.00 0.00 41.12 41.73 3req n ASP 727 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81