#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwq s SER 3 N 0.00 6.61 -0.05 4.04 0.01 -1.26 -4.45 113.70 118.60 2nwq s SER 3 Ca 0.00 -2.09 0.04 0.00 1.31 0.00 0.00 55.95 55.21 2nwq s SER 3 Cb 0.00 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2nwq s SER 3 CO 0.00 -0.98 -0.16 0.42 0.41 0.00 0.00 173.24 172.93 2nwq s THR 4 N 2.22 2.91 -0.02 1.44 -4.23 -1.26 -0.62 115.64 116.08 2nwq s THR 4 Ca 0.28 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 60.02 2nwq s THR 4 Cb -0.08 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.65 2nwq s THR 4 CO -0.07 0.59 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.35 2nwq s LEU 5 N -0.69 1.51 -0.23 4.79 2.96 0.92 -0.78 118.68 127.16 2nwq s LEU 5 Ca 0.11 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2nwq s LEU 5 Cb -0.11 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 2nwq s LEU 5 CO 0.00 -0.03 0.02 0.12 -1.32 0.00 0.00 176.35 175.14 2nwq s PHE 6 N 0.59 3.02 -0.20 5.38 5.36 -0.75 -0.09 117.98 131.29 2nwq s PHE 6 Ca -0.07 -0.66 0.01 0.00 -0.96 0.00 0.00 56.93 55.26 2nwq s PHE 6 Cb -0.10 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.44 2nwq s PHE 6 CO -0.01 -0.44 -0.17 0.42 -1.46 0.00 0.00 175.22 173.56 2nwq s ILE 7 N 1.53 2.05 0.28 3.12 1.01 0.13 -1.53 121.20 127.78 2nwq s ILE 7 Ca 0.06 -1.08 -0.25 0.00 0.00 0.00 0.00 60.65 59.38 2nwq s ILE 7 Cb -0.15 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 2nwq s ILE 7 CO 0.00 0.40 0.89 0.42 0.00 0.00 0.00 174.94 176.65 2nwq s THR 8 N 1.26 4.27 -1.12 2.92 -4.23 -0.99 -0.97 115.64 116.79 2nwq s THR 8 Ca 0.02 1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 62.23 2nwq s THR 8 Cb -0.15 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 2nwq s THR 8 CO -0.11 0.23 0.92 0.61 -0.54 0.00 0.00 174.62 175.73 2nwq n GLY 9 N 0.79 -0.84 0.00 3.99 0.00 -0.77 -2.82 105.19 105.54 2nwq n GLY 9 Ca 0.00 0.40 0.15 0.00 0.00 0.00 0.00 46.02 46.57 2nwq n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq n ALA 10 N -3.65 2.56 0.32 4.61 0.00 0.62 -1.19 120.51 123.79 2nwq n ALA 10 Ca -0.16 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.15 2nwq n ALA 10 Cb 0.64 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.60 2nwq n ALA 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2nwq n THR 11 N -1.14 0.00 -3.59 0.00 -2.24 -1.26 -1.72 114.28 104.32 2nwq n THR 11 Ca 0.19 -0.45 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 2nwq n THR 11 Cb 0.17 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 2nwq n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2nwq s SER 12 N -0.96 6.69 0.68 3.42 0.01 -0.33 -4.80 113.70 118.40 2nwq s SER 12 Ca 0.07 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2nwq s SER 12 Cb 0.06 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2nwq s SER 12 CO 0.16 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2nwq n GLY 13 N 1.59 1.99 1.05 3.44 0.00 -1.26 -1.19 105.19 110.81 2nwq n GLY 13 Ca -0.13 0.47 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2nwq n GLY 13 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nwq n PHE 14 N 3.65 0.28 -0.14 1.61 3.72 -1.26 -4.51 117.46 120.81 2nwq n PHE 14 Ca 0.00 -0.14 -0.09 0.00 -0.05 0.00 0.00 57.45 57.17 2nwq n PHE 14 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2nwq n PHE 14 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2nwq h GLY 15 N 4.63 0.67 0.88 1.37 0.00 -1.31 -1.00 103.07 108.31 2nwq h GLY 15 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2nwq h GLY 15 CO 0.00 0.36 0.00 -2.09 0.00 0.00 0.00 176.54 174.81 2nwq h GLU 16 N 0.51 0.01 -0.82 4.80 4.81 -1.53 -0.04 114.58 122.32 2nwq h GLU 16 Ca 0.13 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2nwq h GLU 16 Cb 0.23 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2nwq h GLU 16 CO -0.01 0.13 0.50 0.00 -0.73 0.00 0.00 179.01 178.90 2nwq h ALA 17 N 0.88 1.11 -0.28 2.92 0.00 -1.83 0.14 119.26 122.19 2nwq h ALA 17 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nwq h ALA 17 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2nwq h ALA 17 CO -0.00 0.23 0.17 0.00 0.00 0.00 0.00 179.25 179.65 2nwq h ALA 19 N 1.06 0.83 -0.18 0.00 0.00 0.06 -1.51 119.26 119.52 2nwq h ALA 19 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2nwq h ALA 19 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2nwq h ALA 19 CO -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 179.25 179.22 2nwq h ARG 20 N 0.58 0.30 -0.25 0.00 3.08 -0.50 -1.83 114.38 115.77 2nwq h ARG 20 Ca 0.29 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.27 2nwq h ARG 20 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2nwq h ARG 20 CO -0.21 0.47 0.12 -0.09 -1.07 0.00 0.00 179.97 179.19 2nwq h ARG 21 N 0.09 0.25 0.00 0.04 9.65 -0.80 -1.27 114.38 122.34 2nwq h ARG 21 Ca 0.05 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 2nwq h ARG 21 Cb 0.32 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2nwq h ARG 21 CO 0.00 0.16 -0.22 0.74 2.80 0.00 0.00 179.97 183.46 2nwq h PHE 22 N 0.26 0.00 -0.29 2.20 -1.00 -1.30 -2.81 116.94 113.99 2nwq h PHE 22 Ca 0.10 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 2nwq h PHE 22 Cb 0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2nwq h PHE 22 CO -0.10 0.22 -0.17 0.00 -1.61 0.00 0.00 178.31 176.65 2nwq h ALA 23 N 1.78 0.41 -0.99 2.45 0.00 -1.03 -1.36 119.26 120.52 2nwq h ALA 23 Ca -0.00 -0.34 0.19 0.00 0.00 0.00 0.00 54.91 54.75 2nwq h ALA 23 Cb 0.93 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 2nwq h ALA 23 CO 0.03 0.33 0.61 1.49 0.00 0.00 0.00 179.25 181.71 2nwq h GLU 24 N 0.38 0.69 -0.02 0.00 4.81 -0.99 -0.59 114.58 118.85 2nwq h GLU 24 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2nwq h GLU 24 Cb 0.71 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2nwq h GLU 24 CO 0.05 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2nwq n ALA 25 N -2.37 2.62 -1.37 2.92 0.00 -1.06 -4.94 120.51 116.31 2nwq n ALA 25 Ca 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 2nwq n ALA 25 Cb 0.58 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2nwq n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 26 N 1.07 0.79 3.77 0.00 0.00 -0.23 -5.02 105.19 105.56 2nwq n GLY 26 Ca 0.21 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2nwq n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2nwq s TRP 27 N -2.28 3.25 0.17 1.61 0.52 -0.57 -4.90 118.94 116.73 2nwq s TRP 27 Ca 0.00 1.57 -0.30 0.00 0.02 0.00 0.00 56.10 57.39 2nwq s TRP 27 Cb 0.00 -3.42 -0.08 0.00 -1.15 0.00 0.00 33.47 28.82 2nwq s TRP 27 CO 0.00 -1.15 1.30 -1.12 0.02 0.00 0.00 176.95 176.00 2nwq s SER 28 N -0.89 6.92 -0.06 2.95 0.01 0.21 -4.55 113.70 118.29 2nwq s SER 28 Ca 0.50 2.33 0.05 0.00 1.31 0.00 0.00 55.95 60.14 2nwq s SER 28 Cb -0.33 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.28 2nwq s SER 28 CO 0.43 -0.53 -0.21 -0.76 0.41 0.00 0.00 173.24 172.58 2nwq s LEU 29 N 0.25 2.33 -0.22 2.44 1.43 -0.03 -0.06 118.68 124.82 2nwq s LEU 29 Ca 0.58 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2nwq s LEU 29 Cb -0.35 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.44 2nwq s LEU 29 CO 0.35 0.27 -0.12 -0.69 0.23 0.00 0.00 176.35 176.40 2nwq s VAL 30 N -0.30 2.50 -0.18 -1.59 1.01 0.87 0.28 120.40 122.99 2nwq s VAL 30 Ca 0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2nwq s VAL 30 Cb -0.13 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 2nwq s VAL 30 CO 0.03 0.29 -0.12 -0.76 0.00 0.00 0.00 175.10 174.53 2nwq s LEU 31 N 1.28 2.56 -0.14 3.92 1.43 -0.78 0.20 118.68 127.15 2nwq s LEU 31 Ca 0.01 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2nwq s LEU 31 Cb -0.16 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2nwq s LEU 31 CO -0.07 0.04 0.09 -0.89 0.23 0.00 0.00 176.35 175.75 2nwq s THR 32 N 1.09 5.10 -0.26 5.49 2.01 -0.14 -0.09 115.64 128.84 2nwq s THR 32 Ca 0.00 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 2nwq s THR 32 Cb -0.14 -3.25 0.11 0.00 0.01 0.00 0.00 72.50 69.23 2nwq s THR 32 CO -0.04 0.55 0.94 -0.83 -0.69 0.00 0.00 174.62 174.56 2nwq s GLY 33 N -0.41 -0.26 0.23 4.40 0.00 -0.65 -0.27 107.32 110.36 2nwq s GLY 33 Ca 0.10 2.44 0.00 0.00 0.00 0.00 0.00 44.72 47.27 2nwq s GLY 33 CO 0.02 1.74 1.60 3.21 0.00 0.00 0.00 173.10 179.67 2nwq h ARG 34 N 4.26 0.48 -5.23 2.90 3.08 -1.83 0.07 114.38 118.11 2nwq h ARG 34 Ca -0.28 -0.25 -0.67 0.00 0.07 0.00 0.00 59.98 58.86 2nwq h ARG 34 Cb 1.17 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 31.07 2nwq h ARG 34 CO 0.11 0.82 0.79 1.03 -1.07 0.00 0.00 179.97 181.65 2nwq s ARG 35 N -4.18 3.44 0.32 0.04 0.52 -1.26 -4.70 118.95 113.13 2nwq s ARG 35 Ca -0.07 -1.43 0.05 0.00 -0.52 0.00 0.00 55.73 53.77 2nwq s ARG 35 Cb 0.12 -4.74 0.69 0.00 0.52 0.00 0.00 34.95 31.55 2nwq s ARG 35 CO 0.81 -1.82 1.85 1.49 0.02 0.00 0.00 175.30 177.66 2nwq h GLU 36 N 9.14 0.81 0.01 3.54 4.81 -1.99 -0.89 114.58 130.01 2nwq h GLU 36 Ca 0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2nwq h GLU 36 Cb 1.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2nwq h GLU 36 CO 1.16 0.54 -0.15 1.49 -0.73 0.00 0.00 179.01 181.31 2nwq h GLU 37 N 0.84 0.09 -0.86 1.92 4.57 -1.97 -0.87 114.58 118.30 2nwq h GLU 37 Ca 0.48 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.56 2nwq h GLU 37 Cb 0.61 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 2nwq h GLU 37 CO -0.24 0.90 0.56 0.00 -1.18 0.00 0.00 179.01 179.05 2nwq h ARG 38 N -0.67 1.13 -0.09 1.92 3.08 -1.98 -1.97 114.38 115.80 2nwq h ARG 38 Ca -0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2nwq h ARG 38 Cb 0.96 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 2nwq h ARG 38 CO 0.03 0.75 0.04 1.25 -1.07 0.00 0.00 179.97 180.97 2nwq h LEU 39 N 1.16 0.12 -1.07 3.04 5.85 -1.18 -2.64 115.31 120.59 2nwq h LEU 39 Ca 0.31 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 2nwq h LEU 39 Cb -0.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2nwq h LEU 39 CO -0.07 0.23 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.50 2nwq h GLN 40 N 0.01 0.48 -0.27 1.25 4.15 -1.03 -0.51 115.11 119.17 2nwq h GLN 40 Ca 0.03 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 2nwq h GLN 40 Cb 0.14 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2nwq h GLN 40 CO -0.00 0.62 -0.03 0.00 -1.93 0.00 0.00 178.83 177.48 2nwq h ALA 41 N 1.40 0.37 -0.40 3.38 0.00 -1.37 -0.89 119.26 121.76 2nwq h ALA 41 Ca 0.08 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2nwq h ALA 41 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2nwq h ALA 41 CO 0.03 0.15 0.21 1.25 0.00 0.00 0.00 179.25 180.89 2nwq h LEU 42 N 0.27 0.32 -0.66 0.00 5.85 -1.07 -0.23 115.31 119.79 2nwq h LEU 42 Ca 0.07 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2nwq h LEU 42 Cb 0.48 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2nwq h LEU 42 CO 0.02 0.23 0.41 0.00 -0.34 0.00 0.00 178.44 178.77 2nwq h ALA 43 N 1.20 0.86 -0.59 1.25 0.00 -1.06 -0.11 119.26 120.81 2nwq h ALA 43 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nwq h ALA 43 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2nwq h ALA 43 CO -0.10 0.18 0.24 0.78 0.00 0.00 0.00 179.25 180.35 2nwq h GLY 44 N 0.82 0.95 0.91 0.00 0.00 -0.73 0.21 103.07 105.21 2nwq h GLY 44 Ca 0.26 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2nwq h GLY 44 CO -0.10 0.48 -0.02 -2.09 0.00 0.00 0.00 176.54 174.81 2nwq h GLU 45 N 0.82 -0.07 0.00 4.80 4.81 -0.75 -3.04 114.58 121.16 2nwq h GLU 45 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2nwq h GLU 45 Cb 0.20 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2nwq h GLU 45 CO -0.02 0.05 0.00 -0.07 -0.73 0.00 0.00 179.01 178.24 2nwq h LEU 46 N -0.16 0.00 -2.38 1.64 3.38 -0.87 -3.07 115.31 113.85 2nwq h LEU 46 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2nwq h LEU 46 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2nwq h LEU 46 CO 0.01 0.00 -0.02 -1.28 0.09 0.00 0.00 178.44 177.24 2nwq h SER 47 N 0.00 0.00 1.36 -0.43 0.87 -0.46 -1.72 113.55 113.17 2nwq h SER 47 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2nwq h SER 47 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2nwq h SER 47 CO 0.00 0.02 -0.14 0.00 -0.53 0.00 0.00 176.83 176.17 2nwq h ALA 48 N 1.98 0.95 0.00 6.23 0.00 -1.65 -3.34 119.26 123.44 2nwq h ALA 48 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2nwq h ALA 48 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2nwq h ALA 48 CO 0.00 0.18 -0.85 0.36 0.00 0.00 0.00 179.25 178.95 2nwq n LYS 49 N -3.20 2.39 -3.78 0.00 2.85 -0.86 -5.08 118.16 110.48 2nwq n LYS 49 Ca 0.02 -0.03 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 2nwq n LYS 49 Cb 0.48 -1.01 -0.03 0.00 -0.65 0.00 0.00 35.03 33.81 2nwq n LYS 49 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2nwq s THR 50 N -2.10 0.01 0.00 0.58 -1.32 -0.70 -4.71 115.64 107.40 2nwq s THR 50 Ca -0.00 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 59.32 2nwq s THR 50 Cb 0.05 -1.72 -0.05 0.00 -1.51 0.00 0.00 72.50 69.27 2nwq s THR 50 CO 0.30 -0.06 1.34 -0.13 -2.21 0.00 0.00 174.62 173.86 2nwq s ARG 51 N -3.89 4.31 -0.04 7.08 0.52 -1.26 -3.96 118.95 121.70 2nwq s ARG 51 Ca 0.11 1.90 0.03 0.00 -0.52 0.00 0.00 55.73 57.24 2nwq s ARG 51 Cb -0.02 -3.52 0.01 0.00 0.52 0.00 0.00 34.95 31.93 2nwq s ARG 51 CO 0.00 -0.51 -0.12 0.08 0.02 0.00 0.00 175.30 174.78 2nwq s VAL 52 N 2.12 1.06 -0.34 3.52 1.01 -1.26 -0.85 120.40 125.66 2nwq s VAL 52 Ca 0.62 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2nwq s VAL 52 Cb -0.30 -0.95 0.09 0.00 0.00 0.00 0.00 36.38 35.22 2nwq s VAL 52 CO 0.26 0.33 0.06 -0.22 0.00 0.00 0.00 175.10 175.53 2nwq s LEU 53 N 0.35 4.56 0.09 3.92 2.96 0.14 -4.97 118.68 125.74 2nwq s LEU 53 Ca -0.08 -1.84 -0.25 0.00 -0.22 0.00 0.00 54.13 51.74 2nwq s LEU 53 Cb -0.12 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 2nwq s LEU 53 CO 0.02 -0.38 0.76 -2.16 -1.32 0.00 0.00 176.35 173.28 2nwq s PRO 54 N 1.07 4.51 -0.20 0.98 0.04 -1.26 -1.86 135.00 138.28 2nwq s PRO 54 Ca 0.04 1.09 -0.00 0.00 0.04 0.00 0.00 61.00 62.18 2nwq s PRO 54 Cb -0.20 -3.32 0.05 0.00 0.04 0.00 0.00 34.50 31.06 2nwq s PRO 54 CO -0.05 0.40 -0.06 -0.51 0.04 0.00 0.00 177.00 176.83 2nwq s LEU 55 N -0.51 2.01 -0.21 -3.56 1.43 0.87 -4.93 118.68 113.79 2nwq s LEU 55 Ca 0.37 -0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 2nwq s LEU 55 Cb -0.21 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 2nwq s LEU 55 CO 0.24 -0.20 0.94 0.28 0.23 0.00 0.00 176.35 177.84 2nwq s THR 56 N 1.53 4.77 -0.29 5.49 -1.32 -1.26 -1.64 115.64 122.93 2nwq s THR 56 Ca -0.02 1.83 -0.22 0.00 -1.21 0.00 0.00 61.69 62.07 2nwq s THR 56 Cb -0.17 -4.22 0.15 0.00 -1.51 0.00 0.00 72.50 66.75 2nwq s THR 56 CO -0.07 -0.09 1.12 -0.22 -2.21 0.00 0.00 174.62 173.15 2nwq s LEU 57 N 2.77 -0.35 -0.26 9.08 0.20 0.01 -4.92 118.68 125.21 2nwq s LEU 57 Ca 0.41 0.64 -0.09 0.00 0.69 0.00 0.00 54.13 55.78 2nwq s LEU 57 Cb -0.16 1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 47.19 2nwq s LEU 57 CO 0.09 -0.11 0.13 -0.62 -0.29 0.00 0.00 176.35 175.55 2nwq s ASP 58 N 0.51 5.65 0.54 3.68 3.68 -1.26 -2.76 116.67 126.70 2nwq s ASP 58 Ca 0.00 -0.07 0.21 0.00 2.13 0.00 0.00 52.55 54.82 2nwq s ASP 58 Cb -0.04 -2.03 1.39 0.00 -1.45 0.00 0.00 42.92 40.79 2nwq s ASP 58 CO -0.11 -0.02 2.11 -0.37 0.13 0.00 0.00 175.17 176.92 2nwq h VAL 59 N 5.38 0.83 -0.02 1.11 -1.51 -1.96 -0.22 116.25 119.86 2nwq h VAL 59 Ca -0.37 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.11 2nwq h VAL 59 Cb 1.18 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2nwq h VAL 59 CO 0.58 0.00 0.03 0.03 -1.23 0.00 0.00 177.57 176.98 2nwq h ARG 60 N 0.00 0.00 -5.10 5.19 3.08 -1.90 -3.38 114.38 112.27 2nwq h ARG 60 Ca 0.08 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.45 2nwq h ARG 60 Cb 0.32 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.20 2nwq h ARG 60 CO -0.00 0.00 0.77 0.34 -1.07 0.00 0.00 179.97 180.01 2nwq s ASP 61 N -6.02 6.53 0.12 7.04 3.68 -0.09 -4.90 116.67 123.02 2nwq s ASP 61 Ca -0.05 -1.83 -0.22 0.00 2.13 0.00 0.00 52.55 52.58 2nwq s ASP 61 Cb 0.15 -2.40 -0.06 0.00 -1.45 0.00 0.00 42.92 39.15 2nwq s ASP 61 CO 0.54 -1.14 1.70 -0.09 0.13 0.00 0.00 175.17 176.31 2nwq h ARG 62 N 8.99 -0.08 -0.64 4.34 2.43 -1.84 -2.97 114.38 124.61 2nwq h ARG 62 Ca 0.06 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2nwq h ARG 62 Cb 1.03 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 2nwq h ARG 62 CO 1.13 -0.05 0.40 0.00 -1.51 0.00 0.00 179.97 179.93 2nwq h ALA 63 N 1.00 0.83 0.00 2.80 0.00 -1.97 0.38 119.26 122.30 2nwq h ALA 63 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nwq h ALA 63 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2nwq h ALA 63 CO -0.15 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2nwq n ALA 64 N -2.30 1.62 0.00 0.00 0.00 -1.12 -1.32 120.51 117.39 2nwq n ALA 64 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2nwq n ALA 64 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2nwq n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nwq n SER 66 N 0.52 0.00 -0.01 0.00 2.88 0.12 -0.50 113.62 116.63 2nwq n SER 66 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2nwq n SER 66 Cb 0.11 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.51 2nwq n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nwq h ALA 67 N 0.00 0.11 -0.46 -1.46 0.00 -1.45 -1.43 119.26 114.57 2nwq h ALA 67 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2nwq h ALA 67 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2nwq h ALA 67 CO 0.00 -0.34 0.18 0.00 0.00 0.00 0.00 179.25 179.08 2nwq h ALA 68 N 0.94 0.56 -0.01 0.00 0.00 -1.06 -1.34 119.26 118.34 2nwq h ALA 68 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nwq h ALA 68 Cb 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2nwq h ALA 68 CO -0.00 -0.21 0.00 0.28 0.00 0.00 0.00 179.25 179.32 2nwq h VAL 69 N 0.36 1.16 -0.81 0.00 2.07 -1.81 -2.78 116.25 114.44 2nwq h VAL 69 Ca 0.21 -0.48 0.14 0.00 0.82 0.00 0.00 66.70 67.40 2nwq h VAL 69 Cb 0.20 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2nwq h VAL 69 CO -0.20 0.13 0.53 0.44 0.02 0.00 0.00 177.57 178.48 2nwq h ASP 70 N -0.18 0.50 -0.36 0.57 3.45 -1.08 -1.83 116.42 117.49 2nwq h ASP 70 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2nwq h ASP 70 Cb 0.20 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 2nwq h ASP 70 CO -0.00 0.26 0.00 0.59 -1.57 0.00 0.00 179.24 178.52 2nwq n ASN 71 N -4.51 2.19 -4.77 6.45 5.03 -0.52 -4.95 115.26 114.18 2nwq n ASN 71 Ca 0.15 -2.07 -0.40 0.00 0.87 0.00 0.00 54.58 53.14 2nwq n ASN 71 Cb 0.49 -0.30 -0.00 0.00 -1.02 0.00 0.00 39.78 38.95 2nwq n ASN 71 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2nwq s LEU 72 N -1.06 4.23 0.80 3.41 1.43 -0.69 -5.00 118.68 121.80 2nwq s LEU 72 Ca 0.25 2.71 -0.12 0.00 -1.03 0.00 0.00 54.13 55.94 2nwq s LEU 72 Cb 0.14 -3.87 0.08 0.00 0.03 0.00 0.00 46.19 42.56 2nwq s LEU 72 CO 0.16 -0.86 1.13 -2.84 0.23 0.00 0.00 176.35 174.17 2nwq s PRO 73 N -2.22 1.87 0.66 1.29 0.02 -1.26 -4.90 135.00 130.46 2nwq s PRO 73 Ca 0.56 1.43 0.33 0.00 0.02 0.00 0.00 61.00 63.34 2nwq s PRO 73 Cb -0.39 -1.83 1.77 0.00 0.02 0.00 0.00 34.50 34.06 2nwq s PRO 73 CO 0.51 -1.98 2.00 0.93 -0.33 0.00 0.00 177.00 178.13 2nwq h GLU 74 N -1.10 0.00 -0.37 5.54 4.39 -2.00 -0.76 114.58 120.28 2nwq h GLU 74 Ca -0.44 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.36 2nwq h GLU 74 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2nwq h GLU 74 CO 0.48 0.00 0.33 1.49 -1.16 0.00 0.00 179.01 180.15 2nwq h GLU 75 N 0.00 0.00 -0.25 2.33 4.81 -1.96 -2.22 114.58 117.29 2nwq h GLU 75 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2nwq h GLU 75 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2nwq h GLU 75 CO -0.00 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.47 2nwq n PHE 76 N -4.01 0.87 0.12 0.92 3.01 -0.29 -4.47 117.46 113.60 2nwq n PHE 76 Ca 0.06 -0.86 0.15 0.00 1.01 0.00 0.00 57.45 57.81 2nwq n PHE 76 Cb 0.50 -0.29 0.68 0.00 -0.01 0.00 0.00 39.48 40.36 2nwq n PHE 76 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nwq h ALA 77 N 1.72 2.26 -4.10 4.37 0.00 -1.52 -3.38 119.26 118.61 2nwq h ALA 77 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2nwq h ALA 77 Cb 1.38 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.89 2nwq h ALA 77 CO 0.20 -0.36 -0.86 0.95 0.00 0.00 0.00 179.25 179.18 2nwq s THR 78 N -5.02 1.70 -0.16 0.00 -4.23 -1.26 -4.63 115.64 102.03 2nwq s THR 78 Ca -0.05 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2nwq s THR 78 Cb 0.18 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.59 2nwq s THR 78 CO 0.70 0.48 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.88 2nwq s LEU 79 N -0.19 2.45 -0.10 4.79 2.96 -0.05 -4.53 118.68 124.01 2nwq s LEU 79 Ca -0.00 -0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 53.14 2nwq s LEU 79 Cb -0.11 -1.56 -0.24 0.00 0.50 0.00 0.00 46.19 44.78 2nwq s LEU 79 CO 0.02 0.07 0.91 -0.09 -1.32 0.00 0.00 176.35 175.93 2nwq h ARG 80 N 7.43 -0.00 -6.26 1.98 2.43 -1.58 -3.37 114.38 115.00 2nwq h ARG 80 Ca -0.35 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.23 2nwq h ARG 80 Cb 1.18 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.49 2nwq h ARG 80 CO 0.58 0.84 -0.84 0.20 -1.51 0.00 0.00 179.97 179.23 2nwq s GLY 81 N -3.90 1.24 -0.06 2.80 0.00 0.04 -0.97 107.32 106.46 2nwq s GLY 81 Ca -0.18 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.35 2nwq s GLY 81 CO 0.68 -1.14 -0.01 -2.27 0.00 0.00 0.00 173.10 170.36 2nwq s LEU 82 N -1.53 0.79 -0.33 0.66 2.96 -0.30 -1.82 118.68 119.11 2nwq s LEU 82 Ca 0.08 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2nwq s LEU 82 Cb -0.09 -0.44 0.01 0.00 0.50 0.00 0.00 46.19 46.17 2nwq s LEU 82 CO 0.03 -0.16 0.15 -0.63 -1.32 0.00 0.00 176.35 174.43 2nwq s ILE 83 N 1.69 4.36 -0.83 6.68 1.01 -0.58 -0.45 121.20 133.08 2nwq s ILE 83 Ca 0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 2nwq s ILE 83 Cb -0.13 -3.33 0.10 0.00 0.01 0.00 0.00 42.46 39.11 2nwq s ILE 83 CO -0.04 -0.07 1.08 0.20 0.00 0.00 0.00 174.94 176.11 2nwq s ASN 84 N 1.54 6.44 -0.12 3.58 0.01 0.08 -2.33 114.94 124.13 2nwq s ASN 84 Ca 0.02 -1.60 0.07 0.00 -0.71 0.00 0.00 52.86 50.65 2nwq s ASN 84 Cb -0.18 -2.41 -0.13 0.00 0.41 0.00 0.00 41.25 38.94 2nwq s ASN 84 CO 0.05 -1.23 -0.01 -3.20 -1.51 0.00 0.00 177.10 171.20 2nwq n ASN 85 N 7.12 2.38 -4.69 -1.22 2.85 -1.25 -0.87 115.26 119.59 2nwq n ASN 85 Ca 0.13 -0.02 -0.52 0.00 -0.11 0.00 0.00 54.58 54.06 2nwq n ASN 85 Cb 0.48 0.47 -0.06 0.00 1.24 0.00 0.00 39.78 41.91 2nwq n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nwq n ALA 86 N -2.58 0.36 0.00 5.20 0.00 -1.13 -4.90 120.51 117.46 2nwq n ALA 86 Ca -0.21 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2nwq n ALA 86 Cb 0.84 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2nwq n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 87 N 4.10 0.95 3.35 0.00 0.00 -1.26 -4.58 105.19 107.75 2nwq n GLY 87 Ca 0.23 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 2nwq n GLY 87 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2nwq s LEU 88 N 0.00 0.06 -0.10 0.99 2.34 -1.26 -4.90 118.68 115.81 2nwq s LEU 88 Ca 0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 54.13 53.98 2nwq s LEU 88 Cb 0.00 2.10 -0.03 0.00 -0.56 0.00 0.00 46.19 47.71 2nwq s LEU 88 CO 0.00 -0.89 -0.08 0.00 -1.06 0.00 0.00 176.35 174.32 2nwq s ALA 89 N -3.79 2.90 -0.09 1.48 0.00 -1.26 -4.92 121.76 116.08 2nwq s ALA 89 Ca 0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2nwq s ALA 89 Cb 0.01 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2nwq s ALA 89 CO -0.12 0.41 -0.05 -0.51 0.00 0.00 0.00 175.76 175.49 2nwq s LEU 90 N -0.25 0.98 0.00 0.00 1.43 -1.26 -5.10 118.68 114.48 2nwq s LEU 90 Ca 0.03 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2nwq s LEU 90 Cb -0.13 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.44 2nwq s LEU 90 CO 0.03 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.08 2nwq n GLY 91 N 4.90 1.55 0.40 -3.19 0.00 -1.26 -4.88 105.19 102.70 2nwq n GLY 91 Ca -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2nwq n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nwq n THR 92 N 1.34 0.00 -0.96 2.61 -1.04 -1.26 -5.11 114.28 109.86 2nwq n THR 92 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2nwq n THR 92 Cb 0.00 -0.41 -0.01 0.00 -1.82 0.00 0.00 70.33 68.09 2nwq n THR 92 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2nwq n ASP 93 N -2.14 -1.62 -4.69 8.00 8.00 -1.26 -4.78 116.55 118.07 2nwq n ASP 93 Ca 0.00 0.67 -0.34 0.00 0.71 0.00 0.00 54.79 55.83 2nwq n ASP 93 Cb 0.22 -0.65 0.11 0.00 -0.02 0.00 0.00 41.12 40.79 2nwq n ASP 93 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2nwq n PRO 94 N 0.87 0.35 -0.32 -0.24 -0.02 -1.26 -4.77 135.00 129.61 2nwq n PRO 94 Ca 0.10 0.19 0.22 0.00 -2.02 0.00 0.00 63.50 61.99 2nwq n PRO 94 Cb 0.25 -2.42 0.44 0.00 -0.02 0.00 0.00 33.50 31.74 2nwq n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nwq h ALA 95 N -0.63 1.74 0.00 3.55 0.00 -1.93 -1.20 119.26 120.80 2nwq h ALA 95 Ca -0.47 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2nwq h ALA 95 Cb 1.31 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2nwq h ALA 95 CO 0.47 -0.66 0.00 -0.56 0.00 0.00 0.00 179.25 178.50 2nwq h GLN 96 N 0.16 0.00 -0.01 0.00 -0.00 -2.03 -2.47 115.11 110.76 2nwq h GLN 96 Ca 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.36 2nwq h GLN 96 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.12 2nwq h GLN 96 CO -0.71 0.00 0.00 -1.13 -0.00 0.00 0.00 178.83 176.99 2nwq n SER 97 N -2.38 2.36 -4.83 0.06 3.41 -0.46 -5.06 113.62 106.72 2nwq n SER 97 Ca 0.02 -2.96 -0.31 0.00 -0.26 0.00 0.00 58.87 55.35 2nwq n SER 97 Cb 0.23 -0.39 0.04 0.00 -0.26 0.00 0.00 64.21 63.83 2nwq n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nwq s ASP 99 N -3.78 6.28 0.47 0.00 3.68 -1.26 -4.98 116.67 117.08 2nwq s ASP 99 Ca 0.58 0.32 0.21 0.00 2.13 0.00 0.00 52.55 55.79 2nwq s ASP 99 Cb -0.13 -2.20 1.18 0.00 -1.45 0.00 0.00 42.92 40.31 2nwq s ASP 99 CO 0.53 -0.13 1.99 -0.07 0.13 0.00 0.00 175.17 177.62 2nwq h LEU 100 N 8.24 0.00 -0.70 -1.34 3.38 -1.98 -1.45 115.31 121.45 2nwq h LEU 100 Ca -0.33 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.73 2nwq h LEU 100 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2nwq h LEU 100 CO 0.66 0.19 0.33 0.44 0.09 0.00 0.00 178.44 180.15 2nwq h ASP 101 N 0.00 0.41 -0.47 -0.43 3.45 -1.99 0.90 116.42 118.29 2nwq h ASP 101 Ca -0.00 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 2nwq h ASP 101 Cb 0.42 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 2nwq h ASP 101 CO 0.02 0.23 0.01 0.44 -1.57 0.00 0.00 179.24 178.37 2nwq h ASP 102 N 0.56 0.86 -0.34 6.45 3.32 -1.64 -2.28 116.42 123.34 2nwq h ASP 102 Ca 0.35 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 2nwq h ASP 102 Cb 0.40 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2nwq h ASP 102 CO -0.29 0.91 -0.32 -0.50 -1.72 0.00 0.00 179.24 177.33 2nwq h TRP 103 N 0.82 0.98 -0.49 4.55 4.06 -1.21 -3.11 115.95 121.55 2nwq h TRP 103 Ca 0.16 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 60.82 2nwq h TRP 103 Cb 0.48 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 2nwq h TRP 103 CO 0.03 1.07 0.33 -0.44 -3.56 0.00 0.00 178.44 175.86 2nwq h ASP 104 N 0.60 0.57 0.00 -3.49 3.32 -0.77 -1.88 116.42 114.77 2nwq h ASP 104 Ca 0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2nwq h ASP 104 Cb 0.90 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2nwq h ASP 104 CO 0.08 0.41 0.00 0.41 -1.72 0.00 0.00 179.24 178.42 2nwq n THR 105 N -4.74 0.10 0.00 0.35 -1.04 -0.86 -0.68 114.28 107.40 2nwq n THR 105 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2nwq n THR 105 Cb 0.02 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 2nwq n THR 105 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2nwq n VAL 107 N 0.57 0.00 -0.21 12.58 0.31 -0.71 -1.44 118.33 129.42 2nwq n VAL 107 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2nwq n VAL 107 Cb 0.09 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.15 2nwq n VAL 107 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2nwq h ASP 108 N 0.00 0.94 0.02 4.52 3.32 -1.16 -1.19 116.42 122.87 2nwq h ASP 108 Ca 0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2nwq h ASP 108 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2nwq h ASP 108 CO 0.00 0.86 -0.01 0.74 -1.72 0.00 0.00 179.24 179.11 2nwq h THR 109 N 0.99 0.50 0.00 0.35 2.02 -1.48 0.21 112.91 115.51 2nwq h THR 109 Ca 0.23 -1.35 -0.14 0.00 0.77 0.00 0.00 66.41 65.92 2nwq h THR 109 Cb 0.23 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2nwq h THR 109 CO -0.01 0.17 -0.66 0.78 0.37 0.00 0.00 175.52 176.16 2nwq h ASN 110 N -1.00 0.00 0.00 4.18 2.35 -1.77 -2.95 115.58 116.39 2nwq h ASN 110 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nwq h ASN 110 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2nwq h ASN 110 CO 0.00 0.66 -0.23 -0.38 -1.65 0.00 0.00 177.43 175.84 2nwq n ILE 111 N -3.63 0.49 -0.29 2.81 5.41 -0.51 -4.45 119.36 119.20 2nwq n ILE 111 Ca -0.01 0.30 -0.02 0.00 1.00 0.00 0.00 62.75 64.03 2nwq n ILE 111 Cb 0.68 -1.60 0.11 0.00 -0.71 0.00 0.00 39.64 38.12 2nwq n ILE 111 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2nwq h LYS 112 N -0.23 0.94 -0.56 0.38 1.57 -1.30 0.03 116.57 117.40 2nwq h LYS 112 Ca 0.00 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2nwq h LYS 112 Cb 0.23 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 2nwq h LYS 112 CO 0.00 0.62 0.24 0.78 -0.57 0.00 0.00 179.45 180.53 2nwq h GLY 113 N 0.97 0.79 1.38 3.86 0.00 -0.39 0.17 103.07 109.84 2nwq h GLY 113 Ca 0.33 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 2nwq h GLY 113 CO -0.13 0.05 -0.36 -2.00 0.00 0.00 0.00 176.54 174.09 2nwq h LEU 114 N 0.46 0.73 -0.53 3.11 6.46 -1.44 -1.72 115.31 122.37 2nwq h LEU 114 Ca 0.27 -0.31 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 2nwq h LEU 114 Cb 0.26 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 2nwq h LEU 114 CO -0.23 1.02 0.12 -0.07 -0.62 0.00 0.00 178.44 178.66 2nwq h LEU 115 N 0.58 0.82 0.19 2.25 3.38 -0.48 -0.89 115.31 121.16 2nwq h LEU 115 Ca 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2nwq h LEU 115 Cb 0.89 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2nwq h LEU 115 CO 0.08 0.84 -0.09 1.88 0.09 0.00 0.00 178.44 181.24 2nwq h TYR 116 N 0.76 -0.23 -0.73 1.13 0.99 -0.60 -0.48 116.97 117.80 2nwq h TYR 116 Ca 0.17 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.84 2nwq h TYR 116 Cb 0.35 0.08 -0.03 0.00 1.00 0.00 0.00 36.73 38.12 2nwq h TYR 116 CO 0.02 0.00 0.27 0.66 -0.00 0.00 0.00 178.16 179.12 2nwq h SER 117 N -0.44 1.02 0.29 3.88 4.64 -1.32 -1.18 113.55 120.43 2nwq h SER 117 Ca -0.03 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2nwq h SER 117 Cb 0.34 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2nwq h SER 117 CO 0.04 0.92 -0.14 0.74 -0.87 0.00 0.00 176.83 177.53 2nwq h THR 118 N 1.07 0.75 -0.35 2.95 2.02 -1.13 -2.82 112.91 115.39 2nwq h THR 118 Ca 0.24 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2nwq h THR 118 Cb 0.24 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2nwq h THR 118 CO -0.02 0.09 0.17 -0.09 0.37 0.00 0.00 175.52 176.05 2nwq h ARG 119 N -0.63 0.51 -0.17 6.66 9.65 -0.97 -0.20 114.38 129.23 2nwq h ARG 119 Ca -0.04 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 2nwq h ARG 119 Cb 0.45 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2nwq h ARG 119 CO 0.06 0.46 -0.10 -0.07 2.80 0.00 0.00 179.97 183.12 2nwq h LEU 120 N 0.43 0.25 0.00 3.80 3.38 -1.32 -3.13 115.31 118.72 2nwq h LEU 120 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2nwq h LEU 120 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2nwq h LEU 120 CO -0.02 0.38 -1.15 0.18 0.09 0.00 0.00 178.44 177.93 2nwq n LEU 121 N -4.29 0.76 -0.18 1.67 4.77 -1.06 -4.51 117.00 114.16 2nwq n LEU 121 Ca -0.00 -0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2nwq n LEU 121 Cb 0.25 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 2nwq n LEU 121 CO 0.38 0.18 0.92 -0.07 -1.33 0.00 0.00 177.39 177.47 2nwq h LEU 122 N 0.00 0.03 -1.45 2.23 3.38 -0.97 -1.21 115.31 117.31 2nwq h LEU 122 Ca 0.00 0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.26 2nwq h LEU 122 Cb 0.61 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2nwq h LEU 122 CO 0.00 0.03 0.59 -0.65 0.09 0.00 0.00 178.44 178.50 2nwq h PRO 123 N 0.27 0.45 0.00 1.13 0.11 -1.79 0.47 132.00 132.64 2nwq h PRO 123 Ca 0.29 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.18 2nwq h PRO 123 Cb 0.41 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2nwq h PRO 123 CO -0.37 0.30 -0.86 0.00 -0.21 0.00 0.00 178.00 176.87 2nwq h ARG 124 N 0.47 0.17 -0.16 1.05 3.08 -1.51 -0.46 114.38 117.01 2nwq h ARG 124 Ca 0.47 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 2nwq h ARG 124 Cb 1.08 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2nwq h ARG 124 CO -0.19 0.92 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.39 2nwq h LEU 125 N 0.09 0.42 -0.32 3.04 3.38 -0.43 0.03 115.31 121.52 2nwq h LEU 125 Ca -0.04 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.51 2nwq h LEU 125 Cb 1.48 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 2nwq h LEU 125 CO 0.13 0.82 -0.10 0.40 0.09 0.00 0.00 178.44 179.78 2nwq h ILE 126 N 0.03 0.64 -0.59 1.22 1.08 -0.07 -1.95 117.51 117.86 2nwq h ILE 126 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2nwq h ILE 126 Cb 0.71 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2nwq h ILE 126 CO 0.04 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.89 2nwq h ALA 127 N 1.28 1.56 -0.18 1.87 0.00 -1.05 -0.10 119.26 122.65 2nwq h ALA 127 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2nwq h ALA 127 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nwq h ALA 127 CO -0.35 0.40 0.10 1.25 0.00 0.00 0.00 179.25 180.65 2nwq h HIS 128 N 0.81 0.23 0.00 0.00 -0.00 -1.16 -3.48 115.15 111.55 2nwq h HIS 128 Ca 0.22 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 2nwq h HIS 128 Cb -0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2nwq h HIS 128 CO 0.00 0.20 0.00 0.41 -0.00 0.00 0.00 177.93 178.55 2nwq n GLY 129 N -0.99 1.20 3.67 5.26 0.00 -0.05 -4.88 105.19 109.40 2nwq n GLY 129 Ca -0.04 -0.56 -0.56 0.00 0.00 0.00 0.00 46.02 44.87 2nwq n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq n ALA 130 N 10.13 -0.47 0.00 4.61 0.00 -1.25 -1.33 120.51 132.19 2nwq n ALA 130 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2nwq n ALA 130 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2nwq n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 131 N 3.65 0.88 3.76 0.00 0.00 -1.24 -5.03 105.19 107.20 2nwq n GLY 131 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2nwq n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq s ALA 132 N -2.25 2.85 -0.08 4.61 0.00 -0.44 -4.90 121.76 121.55 2nwq s ALA 132 Ca 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 2nwq s ALA 132 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2nwq s ALA 132 CO 0.00 -1.05 0.19 -1.12 0.00 0.00 0.00 175.76 173.78 2nwq s SER 133 N -1.20 -0.18 -0.19 0.00 0.01 -0.15 -0.48 113.70 111.52 2nwq s SER 133 Ca 0.69 0.39 -0.05 0.00 1.31 0.00 0.00 55.95 58.29 2nwq s SER 133 Cb -0.34 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 2nwq s SER 133 CO 0.40 -0.14 -0.00 -0.63 0.41 0.00 0.00 173.24 173.28 2nwq s ILE 134 N 1.04 4.04 -0.20 1.44 1.01 -0.00 -1.15 121.20 127.36 2nwq s ILE 134 Ca -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2nwq s ILE 134 Cb -0.10 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2nwq s ILE 134 CO -0.06 0.45 -0.13 -0.69 0.00 0.00 0.00 174.94 174.50 2nwq s VAL 135 N 0.77 2.53 -0.15 2.92 1.01 0.40 -1.08 120.40 126.81 2nwq s VAL 135 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 2nwq s VAL 135 Cb -0.14 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2nwq s VAL 135 CO 0.02 0.43 0.19 0.20 0.00 0.00 0.00 175.10 175.94 2nwq s ASN 136 N 1.34 6.37 -0.69 3.32 0.01 0.22 -0.74 114.94 124.76 2nwq s ASN 136 Ca 0.04 0.44 -0.25 0.00 -0.71 0.00 0.00 52.86 52.37 2nwq s ASN 136 Cb -0.14 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.45 2nwq s ASN 136 CO -0.09 0.26 1.15 -0.76 -1.51 0.00 0.00 177.10 176.15 2nwq s LEU 137 N -0.24 3.64 0.00 0.60 2.01 -0.05 -1.73 118.68 122.91 2nwq s LEU 137 Ca 0.14 -0.59 0.00 0.00 0.01 0.00 0.00 54.13 53.69 2nwq s LEU 137 Cb -0.12 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.51 2nwq s LEU 137 CO 0.03 -1.65 0.00 0.61 1.01 0.00 0.00 176.35 176.35 2nwq n GLY 138 N 5.33 1.57 3.57 -3.19 0.00 0.49 -4.97 105.19 107.99 2nwq n GLY 138 Ca 0.01 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 2nwq n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nwq s SER 139 N -1.00 -0.29 0.53 1.61 0.15 -1.26 -4.31 113.70 109.14 2nwq s SER 139 Ca 0.00 0.17 0.24 0.00 0.70 0.00 0.00 55.95 57.06 2nwq s SER 139 Cb 0.00 0.27 1.38 0.00 -1.71 0.00 0.00 66.02 65.96 2nwq s SER 139 CO 0.00 -0.37 2.02 -0.37 1.20 0.00 0.00 173.24 175.73 2nwq h VAL 140 N 2.23 0.77 0.00 4.45 -1.51 -1.64 -1.21 116.25 119.34 2nwq h VAL 140 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2nwq h VAL 140 Cb 1.19 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2nwq h VAL 140 CO 0.28 0.00 0.06 0.00 -1.23 0.00 0.00 177.57 176.68 2nwq h ALA 141 N 1.78 1.05 0.00 5.19 0.00 -1.84 -1.48 119.26 123.96 2nwq h ALA 141 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2nwq h ALA 141 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2nwq h ALA 141 CO -0.00 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2nwq n GLY 142 N -1.12 -1.24 0.00 0.00 0.00 -0.46 -4.12 105.19 98.25 2nwq n GLY 142 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2nwq n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nwq n LYS 143 N -1.47 0.94 -4.16 1.61 5.02 -0.63 -4.16 118.16 115.31 2nwq n LYS 143 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 2nwq n LYS 143 Cb 0.25 -0.97 -0.15 0.00 -0.02 0.00 0.00 35.03 34.14 2nwq n LYS 143 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2nwq s TRP 144 N -1.94 2.86 0.41 2.13 0.52 -0.79 -5.10 118.94 117.02 2nwq s TRP 144 Ca 0.00 -1.14 -0.19 0.00 0.02 0.00 0.00 56.10 54.79 2nwq s TRP 144 Cb 0.00 -1.99 -0.10 0.00 -1.15 0.00 0.00 33.47 30.23 2nwq s TRP 144 CO 0.00 -0.58 0.89 -1.25 0.02 0.00 0.00 176.95 176.03 2nwq s PRO 145 N 1.20 4.13 0.16 4.98 0.05 -1.26 -4.58 135.00 139.67 2nwq s PRO 145 Ca 0.02 0.97 -0.23 0.00 0.05 0.00 0.00 61.00 61.81 2nwq s PRO 145 Cb -0.14 -2.25 0.07 0.00 0.05 0.00 0.00 34.50 32.23 2nwq s PRO 145 CO -0.05 -0.00 0.62 1.52 0.05 0.00 0.00 177.00 179.14 2nwq s TYR 146 N -2.18 -0.51 0.32 0.56 1.13 -1.26 -5.10 117.35 110.31 2nwq s TYR 146 Ca 0.59 0.29 -0.29 0.00 -1.41 0.00 0.00 57.07 56.26 2nwq s TYR 146 Cb -0.09 0.57 -0.13 0.00 -1.10 0.00 0.00 41.96 41.21 2nwq s TYR 146 CO 0.16 -0.86 1.31 -2.30 -2.51 0.00 0.00 175.55 171.36 2nwq n PRO 147 N -0.38 2.09 -0.63 -3.49 -0.02 -1.26 -2.37 135.00 128.95 2nwq n PRO 147 Ca -0.16 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2nwq n PRO 147 Cb 0.65 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2nwq n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nwq n GLY 148 N 1.13 1.56 0.15 -1.23 0.00 -1.26 -4.87 105.19 100.67 2nwq n GLY 148 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2nwq n GLY 148 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2nwq h SER 149 N 0.00 0.13 0.00 1.61 0.87 -1.84 -3.44 113.55 110.88 2nwq h SER 149 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2nwq h SER 149 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2nwq h SER 149 CO 0.00 0.74 0.00 0.00 -0.53 0.00 0.00 176.83 177.04 2nwq n HIS 150 N -3.81 0.00 0.11 2.24 1.44 -1.26 -1.48 115.22 112.46 2nwq n HIS 150 Ca -0.02 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.48 2nwq n HIS 150 Cb 0.64 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.62 2nwq n HIS 150 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2nwq h VAL 151 N 0.00 1.32 0.12 0.61 2.07 -1.99 -2.44 116.25 115.93 2nwq h VAL 151 Ca 0.00 -2.62 0.02 0.00 0.82 0.00 0.00 66.70 64.91 2nwq h VAL 151 Cb 0.00 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2nwq h VAL 151 CO 0.00 0.79 -0.22 0.22 0.02 0.00 0.00 177.57 178.38 2nwq h TYR 152 N 0.21 -0.59 -0.67 1.57 3.20 -1.59 0.24 116.97 119.33 2nwq h TYR 152 Ca -0.20 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.75 2nwq h TYR 152 Cb 1.98 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 40.44 2nwq h TYR 152 CO 0.11 -0.32 0.36 0.78 -1.64 0.00 0.00 178.16 177.45 2nwq h GLY 153 N -0.42 0.99 0.71 1.82 0.00 -1.34 -1.54 103.07 103.29 2nwq h GLY 153 Ca 0.03 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.15 2nwq h GLY 153 CO -0.12 0.13 0.11 -1.33 0.00 0.00 0.00 176.54 175.33 2nwq h GLY 154 N 0.66 0.42 0.13 4.60 0.00 -0.95 0.61 103.07 108.54 2nwq h GLY 154 Ca 0.31 -0.06 0.16 0.00 0.00 0.00 0.00 47.33 47.73 2nwq h GLY 154 CO -0.20 0.03 0.40 -0.84 0.00 0.00 0.00 176.54 175.93 2nwq h THR 155 N 0.25 0.67 0.00 4.70 2.02 -0.17 0.42 112.91 120.80 2nwq h THR 155 Ca 0.15 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 2nwq h THR 155 Cb 0.13 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2nwq h THR 155 CO -0.16 0.10 -0.67 0.11 0.37 0.00 0.00 175.52 175.27 2nwq h LYS 156 N 0.54 0.00 -0.34 6.66 1.79 -0.42 -2.54 116.57 122.27 2nwq h LYS 156 Ca 0.47 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.80 2nwq h LYS 156 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2nwq h LYS 156 CO -0.40 0.67 -0.37 0.00 -1.08 0.00 0.00 179.45 178.27 2nwq h ALA 157 N 1.33 0.71 -0.18 3.86 0.00 -0.20 -1.86 119.26 122.92 2nwq h ALA 157 Ca -0.01 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2nwq h ALA 157 Cb 1.47 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2nwq h ALA 157 CO 0.09 0.66 -0.14 0.35 0.00 0.00 0.00 179.25 180.21 2nwq h PHE 158 N 0.66 -0.35 -0.35 0.00 3.57 -0.80 -2.54 116.94 117.13 2nwq h PHE 158 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2nwq h PHE 158 Cb 0.92 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2nwq h PHE 158 CO 0.05 -0.21 0.23 0.28 -2.23 0.00 0.00 178.31 176.43 2nwq h VAL 159 N -0.15 1.08 -0.02 1.41 2.07 -1.27 -0.16 116.25 119.21 2nwq h VAL 159 Ca 0.11 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2nwq h VAL 159 Cb 0.31 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2nwq h VAL 159 CO -0.27 0.08 -0.27 -0.08 0.02 0.00 0.00 177.57 177.06 2nwq h GLU 160 N 0.46 -0.39 -0.47 1.57 4.81 -1.29 -1.16 114.58 118.12 2nwq h GLU 160 Ca 0.13 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2nwq h GLU 160 Cb -0.04 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2nwq h GLU 160 CO -0.04 -0.26 -0.15 0.37 -0.73 0.00 0.00 179.01 178.21 2nwq h GLN 161 N -0.40 0.89 -0.58 1.92 5.75 -1.26 -2.94 115.11 118.47 2nwq h GLN 161 Ca 0.07 -0.33 0.04 0.00 -0.15 0.00 0.00 58.65 58.27 2nwq h GLN 161 Cb 0.50 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2nwq h GLN 161 CO -0.25 0.97 0.34 0.35 -2.65 0.00 0.00 178.83 177.59 2nwq h PHE 162 N 0.78 0.63 0.14 3.99 3.57 -0.85 0.50 116.94 125.70 2nwq h PHE 162 Ca 0.12 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2nwq h PHE 162 Cb 0.68 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2nwq h PHE 162 CO 0.04 0.34 -0.18 0.77 -2.23 0.00 0.00 178.31 177.05 2nwq h SER 163 N 0.66 -0.48 -0.24 0.41 0.02 -1.04 0.21 113.55 113.08 2nwq h SER 163 Ca 0.24 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2nwq h SER 163 Cb 0.07 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2nwq h SER 163 CO -0.13 -0.26 0.05 -0.07 -1.14 0.00 0.00 176.83 175.28 2nwq h LEU 164 N -0.37 0.02 -0.92 5.07 3.38 -1.38 -2.60 115.31 118.51 2nwq h LEU 164 Ca 0.01 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2nwq h LEU 164 Cb 0.36 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2nwq h LEU 164 CO -0.07 0.04 0.60 0.78 0.09 0.00 0.00 178.44 179.88 2nwq h ASN 165 N 0.14 0.99 -0.89 -0.43 2.35 -0.63 -2.82 115.58 114.30 2nwq h ASN 165 Ca 0.11 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2nwq h ASN 165 Cb 0.10 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 2nwq h ASN 165 CO -0.14 0.68 0.58 0.25 -1.65 0.00 0.00 177.43 177.15 2nwq h LEU 166 N 1.15 1.00 -1.96 1.61 5.85 -0.22 -1.67 115.31 121.07 2nwq h LEU 166 Ca 0.37 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.22 2nwq h LEU 166 Cb 0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2nwq h LEU 166 CO -0.13 0.71 0.39 0.03 -0.34 0.00 0.00 178.44 179.10 2nwq h ARG 167 N 1.17 0.04 0.00 1.25 3.08 -1.21 -0.98 114.38 117.72 2nwq h ARG 167 Ca 0.34 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2nwq h ARG 167 Cb -0.09 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2nwq h ARG 167 CO -0.09 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 2nwq n ASP 169 N -2.51 0.82 -1.74 0.00 8.00 -0.40 -4.59 116.55 116.14 2nwq n ASP 169 Ca 0.03 -0.81 0.04 0.00 0.71 0.00 0.00 54.79 54.75 2nwq n ASP 169 Cb 0.31 1.17 0.34 0.00 -0.02 0.00 0.00 41.12 42.92 2nwq n ASP 169 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2nwq n LEU 170 N -1.62 5.22 -4.63 0.64 4.77 -1.06 -5.00 117.00 115.32 2nwq n LEU 170 Ca 0.03 -2.66 -0.48 0.00 -0.03 0.00 0.00 56.01 52.87 2nwq n LEU 170 Cb 0.36 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2nwq n LEU 170 CO 0.43 0.61 0.95 0.00 -1.33 0.00 0.00 177.39 178.05 2nwq n GLN 171 N 0.42 1.65 -0.95 3.23 1.13 -1.26 -2.37 117.38 119.23 2nwq n GLN 171 Ca 0.26 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2nwq n GLN 171 Cb 1.11 -2.23 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2nwq n GLN 171 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nwq n GLY 172 N 2.47 0.74 0.11 1.08 0.00 -1.26 -4.84 105.19 103.49 2nwq n GLY 172 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 2nwq n GLY 172 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nwq n THR 173 N -2.23 1.70 0.00 2.61 -1.04 -1.00 -4.98 114.28 109.34 2nwq n THR 173 Ca 0.00 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 2nwq n THR 173 Cb 0.02 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 2nwq n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2nwq n GLY 174 N 1.81 2.06 3.69 3.41 0.00 -1.26 -3.95 105.19 110.95 2nwq n GLY 174 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2nwq n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwq s VAL 175 N -2.37 4.20 0.32 1.61 1.01 -1.26 -3.71 120.40 120.20 2nwq s VAL 175 Ca 0.00 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.41 2nwq s VAL 175 Cb 0.00 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 2nwq s VAL 175 CO 0.00 0.01 0.67 -0.13 0.00 0.00 0.00 175.10 175.65 2nwq s ARG 176 N 2.13 3.81 -0.03 2.72 3.00 0.37 -4.98 118.95 125.97 2nwq s ARG 176 Ca 0.57 0.38 0.01 0.00 0.00 0.00 0.00 55.73 56.69 2nwq s ARG 176 Cb -0.25 -2.51 0.02 0.00 0.00 0.00 0.00 34.95 32.21 2nwq s ARG 176 CO 0.23 0.14 -0.04 0.08 0.00 0.00 0.00 175.30 175.71 2nwq s VAL 177 N -2.10 0.43 -0.04 3.52 1.01 -1.26 -0.82 120.40 121.13 2nwq s VAL 177 Ca 0.50 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.40 2nwq s VAL 177 Cb -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.83 2nwq s VAL 177 CO 0.26 0.19 -0.07 -0.89 0.00 0.00 0.00 175.10 174.59 2nwq s THR 178 N 0.74 0.66 -0.43 3.92 2.01 -0.24 -4.38 115.64 117.92 2nwq s THR 178 Ca -0.09 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 2nwq s THR 178 Cb -0.12 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.77 2nwq s THR 178 CO -0.00 0.24 0.44 0.21 -0.69 0.00 0.00 174.62 174.82 2nwq s ASN 179 N 0.66 6.19 -0.22 3.53 2.47 -0.77 -0.61 114.94 126.18 2nwq s ASN 179 Ca -0.10 -0.76 -0.22 0.00 0.42 0.00 0.00 52.86 52.20 2nwq s ASN 179 Cb -0.13 -2.22 -0.02 0.00 -1.45 0.00 0.00 41.25 37.43 2nwq s ASN 179 CO 0.01 -0.60 0.67 -0.22 -3.72 0.00 0.00 177.10 173.24 2nwq s LEU 180 N 2.10 4.12 -0.67 3.21 2.96 -0.71 -1.88 118.68 127.81 2nwq s LEU 180 Ca 0.11 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2nwq s LEU 180 Cb -0.18 -2.95 0.17 0.00 0.50 0.00 0.00 46.19 43.73 2nwq s LEU 180 CO 0.13 -0.34 0.48 -1.61 -1.32 0.00 0.00 176.35 173.69 2nwq s GLU 181 N 2.21 2.60 0.42 1.98 2.02 0.59 -0.38 118.70 128.14 2nwq s GLU 181 Ca 0.30 -2.79 -0.22 0.00 0.02 0.00 0.00 54.97 52.28 2nwq s GLU 181 Cb -0.16 -3.67 -0.10 0.00 0.10 0.00 0.00 34.13 30.30 2nwq s GLU 181 CO 0.10 -1.19 0.97 -2.14 0.02 0.00 0.00 175.26 173.01 2nwq s PRO 182 N -0.52 4.20 0.00 0.39 0.02 -1.26 -1.59 135.00 136.25 2nwq s PRO 182 Ca 0.20 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.43 2nwq s PRO 182 Cb -0.17 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.08 2nwq s PRO 182 CO -0.06 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 2nwq n GLY 183 N -0.35 0.61 3.68 0.52 0.00 0.82 -2.41 105.19 108.05 2nwq n GLY 183 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2nwq n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nwq s LEU 184 N 0.00 4.27 0.22 0.99 2.96 -1.26 -4.94 118.68 120.92 2nwq s LEU 184 Ca 0.00 1.92 0.09 0.00 -0.22 0.00 0.00 54.13 55.92 2nwq s LEU 184 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2nwq s LEU 184 CO 0.00 -0.71 -0.01 0.00 -1.32 0.00 0.00 176.35 174.31 2nwq h GLU 186 N 2.33 0.74 -0.07 0.00 4.57 -1.49 -3.45 114.58 117.21 2nwq h GLU 186 Ca -0.46 -0.70 0.00 0.00 -1.18 0.00 0.00 59.36 57.02 2nwq h GLU 186 Cb 1.22 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 2nwq h GLU 186 CO 0.58 1.29 0.00 -1.13 -1.18 0.00 0.00 179.01 178.57 2nwq n SER 187 N -3.89 0.07 -1.79 1.04 3.41 -1.26 -5.09 113.62 106.11 2nwq n SER 187 Ca -0.09 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2nwq n SER 187 Cb 0.82 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 2nwq n SER 187 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nwq n GLY 207 N 0.39 0.51 0.06 5.00 0.00 -1.26 -4.73 105.19 105.17 2nwq n GLY 207 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2nwq n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq n ALA 208 N 1.78 2.78 -3.81 4.61 0.00 -1.26 -4.99 120.51 119.62 2nwq n ALA 208 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 2nwq n ALA 208 Cb 0.03 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.22 2nwq n ALA 208 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2nwq n HIS 209 N -1.98 -1.80 -0.94 0.00 -0.00 -1.26 -4.51 115.22 104.74 2nwq n HIS 209 Ca 0.05 0.41 -0.29 0.00 -0.00 0.00 0.00 57.72 57.89 2nwq n HIS 209 Cb 0.41 -3.13 0.20 0.00 -0.00 0.00 0.00 29.99 27.47 2nwq n HIS 209 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2nwq s PRO 210 N -6.18 0.07 0.29 -0.41 0.02 -1.26 -4.80 135.00 122.73 2nwq s PRO 210 Ca 0.38 0.70 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 2nwq s PRO 210 Cb -0.17 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.54 2nwq s PRO 210 CO 0.90 -3.02 1.43 -0.89 -0.33 0.00 0.00 177.00 175.09 2nwq n ILE 211 N -4.41 1.36 -4.04 2.83 5.41 -0.41 -4.68 119.36 115.43 2nwq n ILE 211 Ca 0.05 -0.34 -0.28 0.00 1.00 0.00 0.00 62.75 63.18 2nwq n ILE 211 Cb 0.56 -1.68 -0.05 0.00 -0.71 0.00 0.00 39.64 37.76 2nwq n ILE 211 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2nwq s GLN 212 N -1.00 3.03 0.43 0.38 -1.52 -1.26 -1.36 119.66 118.36 2nwq s GLN 212 Ca 0.62 -0.74 0.17 0.00 -1.95 0.00 0.00 55.36 53.46 2nwq s GLN 212 Cb -0.57 -2.76 1.08 0.00 -0.22 0.00 0.00 33.01 30.55 2nwq s GLN 212 CO 0.54 0.52 1.91 -1.35 -0.25 0.00 0.00 175.29 176.67 2nwq h PRO 213 N 2.68 0.37 0.00 2.91 0.11 -1.95 0.52 132.00 136.64 2nwq h PRO 213 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2nwq h PRO 213 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2nwq h PRO 213 CO 0.66 0.25 -0.34 1.05 -0.21 0.00 0.00 178.00 179.41 2nwq h GLU 214 N 0.39 0.00 -0.33 1.05 9.09 -1.94 -0.88 114.58 121.96 2nwq h GLU 214 Ca 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.77 2nwq h GLU 214 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 2nwq h GLU 214 CO -0.12 0.34 0.10 -0.44 0.05 0.00 0.00 179.01 178.94 2nwq h ASP 215 N 0.00 0.48 -0.37 3.06 3.45 -1.29 -0.50 116.42 121.25 2nwq h ASP 215 Ca -0.00 -0.21 -0.00 0.00 0.43 0.00 0.00 57.03 57.24 2nwq h ASP 215 Cb 0.65 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 2nwq h ASP 215 CO 0.04 0.56 0.21 0.40 -1.57 0.00 0.00 179.24 178.89 2nwq h ILE 216 N 0.37 1.13 -0.17 0.35 1.08 -1.28 -1.31 117.51 117.68 2nwq h ILE 216 Ca 0.10 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 2nwq h ILE 216 Cb 0.26 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2nwq h ILE 216 CO -0.00 0.13 -0.04 0.00 -0.69 0.00 0.00 178.15 177.55 2nwq h ALA 217 N 1.08 0.12 -0.94 1.87 0.00 -1.08 0.02 119.26 120.32 2nwq h ALA 217 Ca 0.13 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2nwq h ALA 217 Cb 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2nwq h ALA 217 CO -0.02 -0.47 0.60 0.93 0.00 0.00 0.00 179.25 180.29 2nwq h GLU 218 N 0.01 1.09 -0.25 0.00 4.39 -1.02 -0.82 114.58 117.99 2nwq h GLU 218 Ca 0.08 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2nwq h GLU 218 Cb 0.12 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2nwq h GLU 218 CO -0.17 0.72 -0.13 1.15 -1.16 0.00 0.00 179.01 179.42 2nwq h THR 219 N 1.13 1.30 -0.63 1.13 2.02 -0.78 -1.09 112.91 115.99 2nwq h THR 219 Ca 0.40 -1.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 2nwq h THR 219 Cb 0.11 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2nwq h THR 219 CO -0.15 0.38 0.24 0.40 0.37 0.00 0.00 175.52 176.76 2nwq h ILE 220 N 0.26 1.24 -0.26 3.11 2.04 -0.94 0.02 117.51 122.97 2nwq h ILE 220 Ca 0.05 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2nwq h ILE 220 Cb 0.65 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2nwq h ILE 220 CO 0.04 0.29 -0.09 0.15 0.00 0.00 0.00 178.15 178.54 2nwq h PHE 221 N 0.88 -0.21 -0.42 1.37 3.57 -0.99 -2.43 116.94 118.71 2nwq h PHE 221 Ca 0.21 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2nwq h PHE 221 Cb 0.22 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2nwq h PHE 221 CO 0.01 -0.15 0.13 2.35 -2.23 0.00 0.00 178.31 178.43 2nwq h TRP 222 N -0.04 0.24 0.00 0.41 7.01 -0.97 -1.77 115.95 120.82 2nwq h TRP 222 Ca 0.13 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2nwq h TRP 222 Cb 0.24 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2nwq h TRP 222 CO -0.28 0.08 0.00 -0.89 -2.79 0.00 0.00 178.44 174.56 2nwq n ILE 223 N -5.03 0.00 0.00 2.65 5.41 -0.03 -2.72 119.36 119.64 2nwq n ILE 223 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2nwq n ILE 223 Cb 0.17 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 2nwq n ILE 223 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2nwq n ASN 225 N 0.52 0.00 -4.72 4.38 3.02 -0.67 -4.93 115.26 112.86 2nwq n ASN 225 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2nwq n ASN 225 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2nwq n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nwq n GLN 226 N 0.00 2.32 -1.51 3.52 1.13 -1.10 -4.91 117.38 116.83 2nwq n GLN 226 Ca 0.00 0.81 -0.50 0.00 -1.94 0.00 0.00 57.00 55.38 2nwq n GLN 226 Cb 0.00 -2.45 -0.04 0.00 0.11 0.00 0.00 30.24 27.86 2nwq n GLN 226 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2nwq n PRO 227 N 0.56 0.60 -0.36 -1.09 -0.02 -1.26 -4.80 135.00 128.63 2nwq n PRO 227 Ca 0.04 0.21 0.37 0.00 -2.02 0.00 0.00 63.50 62.10 2nwq n PRO 227 Cb 0.37 -1.52 0.75 0.00 -0.02 0.00 0.00 33.50 33.08 2nwq n PRO 227 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nwq h ALA 228 N 2.29 3.20 -0.00 3.55 0.00 -1.94 -0.67 119.26 125.68 2nwq h ALA 228 Ca -0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2nwq h ALA 228 Cb 1.39 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2nwq h ALA 228 CO 0.63 -1.60 -0.18 -2.39 0.00 0.00 0.00 179.25 175.72 2nwq n HIS 229 N -4.08 0.00 -4.23 0.00 1.44 -1.26 -4.53 115.22 102.56 2nwq n HIS 229 Ca 0.28 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.64 2nwq n HIS 229 Cb 1.36 -0.37 -0.10 0.00 0.12 0.00 0.00 29.99 30.99 2nwq n HIS 229 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2nwq s LEU 230 N -2.93 3.65 -0.23 2.39 1.43 -0.26 -5.10 118.68 117.63 2nwq s LEU 230 Ca 0.15 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2nwq s LEU 230 Cb 0.19 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.58 2nwq s LEU 230 CO 0.58 0.28 -0.11 0.21 0.23 0.00 0.00 176.35 177.54 2nwq s ASN 231 N -0.29 3.89 -0.34 2.29 2.47 -1.26 -4.82 114.94 116.89 2nwq s ASN 231 Ca 0.07 -1.13 -0.29 0.00 0.42 0.00 0.00 52.86 51.93 2nwq s ASN 231 Cb -0.12 -1.38 -0.00 0.00 -1.45 0.00 0.00 41.25 38.30 2nwq s ASN 231 CO 0.02 -0.17 1.43 -0.63 -3.72 0.00 0.00 177.10 174.03 2nwq s ILE 232 N 1.26 3.93 0.08 -5.21 -1.09 -1.26 -4.89 121.20 114.03 2nwq s ILE 232 Ca -0.05 1.00 -0.18 0.00 -2.23 0.00 0.00 60.65 59.20 2nwq s ILE 232 Cb -0.18 -4.08 -0.09 0.00 -1.58 0.00 0.00 42.46 36.53 2nwq s ILE 232 CO -0.07 -0.57 1.46 0.78 -1.23 0.00 0.00 174.94 175.31 2nwq h ASN 233 N 10.34 0.53 -5.00 3.58 2.35 -1.95 -3.35 115.58 122.07 2nwq h ASN 233 Ca -0.28 -0.39 -0.05 0.00 -0.55 0.00 0.00 56.30 55.03 2nwq h ASN 233 Cb 1.11 -0.15 -0.16 0.00 0.05 0.00 0.00 38.32 39.17 2nwq h ASN 233 CO 1.05 0.80 0.19 -0.94 -1.65 0.00 0.00 177.43 176.88 2nwq s SER 234 N -6.17 -0.61 -0.22 5.81 1.04 -1.26 -1.85 113.70 110.44 2nwq s SER 234 Ca -0.13 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.67 2nwq s SER 234 Cb 0.07 0.56 0.11 0.00 0.10 0.00 0.00 66.02 66.86 2nwq s SER 234 CO 0.77 -0.75 0.41 -0.22 0.98 0.00 0.00 173.24 174.43 2nwq s LEU 235 N -1.80 -0.66 -0.25 2.42 0.20 -0.79 -4.96 118.68 112.84 2nwq s LEU 235 Ca -0.06 0.68 -0.07 0.00 0.69 0.00 0.00 54.13 55.37 2nwq s LEU 235 Cb -0.00 1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 47.00 2nwq s LEU 235 CO 0.01 -0.26 0.08 -0.70 -0.29 0.00 0.00 176.35 175.19 2nwq s GLU 236 N 2.59 3.64 0.34 1.98 2.12 -1.26 -0.30 118.70 127.81 2nwq s GLU 236 Ca 0.05 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.95 2nwq s GLU 236 Cb -0.13 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 2nwq s GLU 236 CO -0.14 -0.20 -0.00 -1.50 -0.54 0.00 0.00 175.26 172.87 2nwq s ILE 237 N 1.62 1.65 0.35 -3.70 2.07 -0.62 -4.99 121.20 117.57 2nwq s ILE 237 Ca 0.06 -2.05 -0.17 0.00 -1.41 0.00 0.00 60.65 57.08 2nwq s ILE 237 Cb -0.15 -2.75 -0.09 0.00 0.13 0.00 0.00 42.46 39.59 2nwq s ILE 237 CO 0.04 -0.10 0.79 -2.16 -1.91 0.00 0.00 174.94 171.60 2nwq s PRO 239 N -3.77 4.08 0.53 3.50 0.04 -1.26 -0.13 135.00 137.99 2nwq s PRO 239 Ca 0.34 0.80 0.21 0.00 0.04 0.00 0.00 61.00 62.39 2nwq s PRO 239 Cb 0.07 -2.39 1.43 0.00 0.04 0.00 0.00 34.50 33.66 2nwq s PRO 239 CO 0.15 0.12 2.16 -0.24 0.04 0.00 0.00 177.00 179.23 2nwq h VAL 240 N 1.99 0.82 -0.06 -0.36 3.04 -1.89 -0.52 116.25 119.28 2nwq h VAL 240 Ca -0.48 -0.13 0.02 0.00 -1.01 0.00 0.00 66.70 65.09 2nwq h VAL 240 Cb 1.18 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2nwq h VAL 240 CO 0.64 0.04 0.09 0.77 -1.01 0.00 0.00 177.57 178.10 2nwq h SER 241 N 0.00 0.00 -3.45 3.17 4.64 -1.90 -3.42 113.55 112.58 2nwq h SER 241 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 2nwq h SER 241 Cb 0.07 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.01 2nwq h SER 241 CO 0.00 0.00 -0.53 -1.58 -0.87 0.00 0.00 176.83 173.86 2nwq s GLN 242 N -4.46 4.03 0.00 4.77 0.74 -0.20 -5.07 119.66 119.46 2nwq s GLN 242 Ca -0.05 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.06 2nwq s GLN 242 Cb 0.14 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2nwq s GLN 242 CO 0.49 0.14 0.00 -1.13 -0.55 0.00 0.00 175.29 174.24 2nwq n SER 243 N 3.99 0.05 -4.49 6.67 3.41 -1.26 -4.77 113.62 117.22 2nwq n SER 243 Ca -0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.13 2nwq n SER 243 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 2nwq n SER 243 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2nwq s TRP 244 N 0.78 2.70 -0.49 7.33 0.51 -1.26 -5.03 118.94 123.48 2nwq s TRP 244 Ca 0.00 -0.16 0.23 0.00 -2.12 0.00 0.00 56.10 54.05 2nwq s TRP 244 Cb 0.00 -1.60 0.01 0.00 -0.81 0.00 0.00 33.47 31.07 2nwq s TRP 244 CO 0.00 0.22 0.98 0.00 -0.51 0.00 0.00 176.95 177.64 2nwq n ALA 245 N 2.09 3.18 0.00 0.98 0.00 -1.26 -5.07 120.51 120.43 2nwq n ALA 245 Ca -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2nwq n ALA 245 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2nwq n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 246 N 1.32 0.54 3.56 0.00 0.00 -1.26 -4.96 105.19 104.40 2nwq n GLY 246 Ca 0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 2nwq n GLY 246 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nwq s PHE 247 N 0.00 2.65 -0.05 1.61 0.40 -1.26 -5.13 117.98 116.20 2nwq s PHE 247 Ca 0.00 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2nwq s PHE 247 Cb 0.00 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 2nwq s PHE 247 CO 0.00 0.46 -0.05 0.00 0.70 0.00 0.00 175.22 176.34 2nwq s ALA 248 N -1.45 3.08 -0.16 5.36 0.00 -1.26 -5.11 121.76 122.23 2nwq s ALA 248 Ca 0.22 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2nwq s ALA 248 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2nwq s ALA 248 CO 0.14 0.59 -0.16 0.42 0.00 0.00 0.00 175.76 176.75 2nwq s ILE 249 N -0.90 2.54 -2.15 0.00 1.09 -1.26 -5.28 121.20 115.24 2nwq s ILE 249 Ca 0.14 -0.81 0.31 0.00 -1.10 0.00 0.00 60.65 59.19 2nwq s ILE 249 Cb -0.11 -2.06 0.80 0.00 -1.06 0.00 0.00 42.46 40.03 2nwq s ILE 249 CO 0.04 0.52 2.08 1.57 -0.10 0.00 0.00 174.94 179.05