#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwq n SER 3 N 0.00 0.09 -4.49 6.43 2.88 -1.26 -4.77 113.62 112.50 2nwq n SER 3 Ca 0.00 -2.73 -0.30 0.00 -1.33 0.00 0.00 58.87 54.50 2nwq n SER 3 Cb 0.00 -0.54 -0.12 0.00 -0.75 0.00 0.00 64.21 62.80 2nwq n SER 3 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2nwq s THR 4 N -1.18 2.92 -0.02 2.46 -4.23 -1.26 -1.25 115.64 113.08 2nwq s THR 4 Ca 0.35 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2nwq s THR 4 Cb 0.18 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2nwq s THR 4 CO -0.11 0.23 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.97 2nwq s LEU 5 N -1.78 1.34 -0.21 4.79 2.96 0.13 -1.48 118.68 124.43 2nwq s LEU 5 Ca 0.17 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 2nwq s LEU 5 Cb -0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 2nwq s LEU 5 CO 0.08 -0.07 0.01 0.12 -1.32 0.00 0.00 176.35 175.16 2nwq s PHE 6 N 0.80 3.04 -0.13 5.38 5.36 -0.92 0.21 117.98 131.72 2nwq s PHE 6 Ca -0.08 -0.49 0.02 0.00 -0.96 0.00 0.00 56.93 55.42 2nwq s PHE 6 Cb -0.11 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 2nwq s PHE 6 CO -0.01 -0.28 -0.19 0.42 -1.46 0.00 0.00 175.22 173.70 2nwq s ILE 7 N 1.14 1.79 0.14 3.12 1.01 -0.42 -1.52 121.20 126.46 2nwq s ILE 7 Ca 0.03 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2nwq s ILE 7 Cb -0.14 -1.61 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 2nwq s ILE 7 CO 0.02 0.50 0.50 0.42 0.00 0.00 0.00 174.94 176.38 2nwq s THR 8 N 0.94 4.94 -0.93 2.92 -4.23 -1.01 -1.21 115.64 117.07 2nwq s THR 8 Ca -0.06 0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2nwq s THR 8 Cb -0.15 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 2nwq s THR 8 CO -0.03 0.20 0.79 0.61 -0.54 0.00 0.00 174.62 175.65 2nwq n GLY 9 N 0.66 -0.48 0.03 3.99 0.00 -0.86 -2.81 105.19 105.72 2nwq n GLY 9 Ca -0.05 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.27 3.35 0.17 4.61 0.00 0.46 -4.29 120.51 121.55 2nwq n ALA 10 Ca -0.15 -0.33 0.06 0.00 0.00 0.00 0.00 53.44 53.02 2nwq n ALA 10 Cb 0.62 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.99 2nwq n ALA 10 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2nwq h THR 11 N 0.15 0.57 0.00 0.00 1.35 -1.88 -1.48 112.91 111.62 2nwq h THR 11 Ca 0.00 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 2nwq h THR 11 Cb 0.50 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2nwq h THR 11 CO 0.00 0.32 0.00 -1.54 -0.25 0.00 0.00 175.52 174.05 2nwq n SER 12 N -3.19 0.00 -0.43 5.36 3.41 -1.26 -4.70 113.62 112.81 2nwq n SER 12 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2nwq n SER 12 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2nwq n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nwq n GLY 13 N 0.00 1.67 0.48 5.00 0.00 -1.26 -4.60 105.19 106.48 2nwq n GLY 13 Ca 0.00 -1.75 0.29 0.00 0.00 0.00 0.00 46.02 44.56 2nwq n GLY 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2nwq h PHE 14 N 0.00 0.00 0.56 1.61 0.04 -1.91 -2.84 116.94 114.40 2nwq h PHE 14 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2nwq h PHE 14 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2nwq h PHE 14 CO 0.00 0.00 -0.27 0.78 -0.60 0.00 0.00 178.31 178.22 2nwq h GLY 15 N 0.00 -0.78 0.94 -1.45 0.00 -1.85 0.17 103.07 100.11 2nwq h GLY 15 Ca 0.42 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 2nwq h GLY 15 CO -0.00 -0.28 0.16 -2.09 0.00 0.00 0.00 176.54 174.32 2nwq h GLU 16 N -0.76 0.47 -0.66 4.80 4.81 -1.13 -1.65 114.58 120.46 2nwq h GLU 16 Ca -0.08 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2nwq h GLU 16 Cb 0.58 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 2nwq h GLU 16 CO 0.13 0.43 0.29 0.00 -0.73 0.00 0.00 179.01 179.13 2nwq h ALA 17 N 1.01 0.88 -0.31 2.92 0.00 -1.42 -0.09 119.26 122.25 2nwq h ALA 17 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2nwq h ALA 17 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2nwq h ALA 17 CO -0.01 -0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.22 2nwq h ALA 19 N 0.95 0.92 -0.15 0.00 0.00 -0.84 -0.74 119.26 119.40 2nwq h ALA 19 Ca 0.10 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2nwq h ALA 19 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2nwq h ALA 19 CO -0.01 -0.06 -0.44 0.00 0.00 0.00 0.00 179.25 178.75 2nwq h ARG 20 N 0.58 0.56 -0.37 0.00 3.08 -0.75 -1.63 114.38 115.85 2nwq h ARG 20 Ca 0.33 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.99 2nwq h ARG 20 Cb 0.33 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2nwq h ARG 20 CO -0.25 1.02 0.21 -0.09 -1.07 0.00 0.00 179.97 179.79 2nwq h ARG 21 N 0.19 0.42 0.00 0.04 9.65 -0.70 -2.65 114.38 121.33 2nwq h ARG 21 Ca -0.01 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 2nwq h ARG 21 Cb 1.06 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.54 2nwq h ARG 21 CO 0.09 0.28 -0.21 0.74 2.80 0.00 0.00 179.97 183.67 2nwq h PHE 22 N 0.43 0.00 -0.39 2.20 -1.00 -1.13 -2.99 116.94 114.06 2nwq h PHE 22 Ca 0.15 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.81 2nwq h PHE 22 Cb 0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2nwq h PHE 22 CO -0.08 0.21 -0.23 0.00 -1.61 0.00 0.00 178.31 176.61 2nwq h ALA 23 N 1.79 0.86 -0.66 2.45 0.00 -1.02 -1.48 119.26 121.20 2nwq h ALA 23 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2nwq h ALA 23 Cb 0.92 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2nwq h ALA 23 CO 0.03 0.63 0.44 0.93 0.00 0.00 0.00 179.25 181.28 2nwq h GLU 24 N 0.68 0.70 -0.00 0.00 4.39 -1.32 -0.19 114.58 118.83 2nwq h GLU 24 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2nwq h GLU 24 Cb 0.74 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2nwq h GLU 24 CO 0.06 0.46 -0.17 0.00 -1.16 0.00 0.00 179.01 178.20 2nwq n ALA 25 N -2.46 2.87 -1.27 3.43 0.00 -0.96 -4.94 120.51 117.18 2nwq n ALA 25 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 2nwq n ALA 25 Cb 0.19 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 1.34 0.63 3.77 0.00 0.00 -0.08 -5.03 105.19 105.81 2nwq n GLY 26 Ca 0.12 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.17 2.87 -0.12 1.61 0.52 -0.78 -4.87 118.94 116.02 2nwq s TRP 27 Ca 0.00 1.49 -0.30 0.00 0.02 0.00 0.00 56.10 57.31 2nwq s TRP 27 Cb 0.00 -3.51 -0.01 0.00 -1.15 0.00 0.00 33.47 28.80 2nwq s TRP 27 CO 0.00 -1.74 1.07 0.45 0.02 0.00 0.00 176.95 176.75 2nwq s SER 28 N -1.05 7.16 -0.18 2.95 0.15 -0.38 -4.63 113.70 117.72 2nwq s SER 28 Ca 0.60 1.58 -0.06 0.00 0.70 0.00 0.00 55.95 58.77 2nwq s SER 28 Cb -0.33 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.39 2nwq s SER 28 CO 0.42 -0.53 0.01 -0.76 1.20 0.00 0.00 173.24 173.58 2nwq s LEU 29 N 2.33 3.49 -0.24 3.45 1.02 0.19 0.19 118.68 129.12 2nwq s LEU 29 Ca 0.50 -0.06 -0.07 0.00 0.02 0.00 0.00 54.13 54.52 2nwq s LEU 29 Cb -0.19 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 2nwq s LEU 29 CO 0.17 0.15 0.06 -0.69 0.02 0.00 0.00 176.35 176.06 2nwq s VAL 30 N 0.51 4.32 -0.17 -1.59 1.01 0.13 0.30 120.40 124.91 2nwq s VAL 30 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2nwq s VAL 30 Cb -0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2nwq s VAL 30 CO 0.02 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.61 2nwq s LEU 31 N 1.47 2.72 -0.11 3.92 1.43 0.60 -1.30 118.68 127.41 2nwq s LEU 31 Ca 0.06 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2nwq s LEU 31 Cb -0.15 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2nwq s LEU 31 CO 0.03 0.09 -0.03 -0.89 0.23 0.00 0.00 176.35 175.78 2nwq s THR 32 N 0.82 4.02 -0.22 5.49 2.01 -0.35 0.56 115.64 127.96 2nwq s THR 32 Ca -0.04 -0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 2nwq s THR 32 Cb -0.15 -2.71 0.14 0.00 0.01 0.00 0.00 72.50 69.79 2nwq s THR 32 CO 0.01 0.56 1.09 -0.83 -0.69 0.00 0.00 174.62 174.76 2nwq s GLY 33 N -0.36 -0.13 0.15 4.40 0.00 -0.76 -0.40 107.32 110.21 2nwq s GLY 33 Ca 0.06 2.43 0.01 0.00 0.00 0.00 0.00 44.72 47.22 2nwq s GLY 33 CO 0.02 1.32 1.33 3.21 0.00 0.00 0.00 173.10 178.98 2nwq h ARG 34 N 2.94 0.21 -5.15 2.90 3.08 -1.86 0.96 114.38 117.47 2nwq h ARG 34 Ca -0.20 -0.26 -0.69 0.00 0.07 0.00 0.00 59.98 58.90 2nwq h ARG 34 Cb 1.17 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 31.14 2nwq h ARG 34 CO 0.24 1.01 1.18 1.03 -1.07 0.00 0.00 179.97 182.35 2nwq s ARG 35 N -3.11 3.77 0.22 0.04 0.52 -1.26 -4.81 118.95 114.33 2nwq s ARG 35 Ca -0.03 -1.94 -0.08 0.00 -0.52 0.00 0.00 55.73 53.16 2nwq s ARG 35 Cb 0.10 -5.06 0.33 0.00 0.52 0.00 0.00 34.95 30.83 2nwq s ARG 35 CO 0.84 -1.86 1.73 1.49 0.02 0.00 0.00 175.30 177.52 2nwq h GLU 36 N 8.36 0.38 -0.08 3.54 4.81 -1.98 -0.03 114.58 129.57 2nwq h GLU 36 Ca 0.23 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2nwq h GLU 36 Cb 0.97 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2nwq h GLU 36 CO 1.22 0.25 -0.37 1.49 -0.73 0.00 0.00 179.01 180.87 2nwq h GLU 37 N 0.39 0.39 -0.90 1.92 4.81 -1.98 0.15 114.58 119.37 2nwq h GLU 37 Ca 0.34 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2nwq h GLU 37 Cb 0.46 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2nwq h GLU 37 CO -0.35 0.95 0.54 -0.09 -0.73 0.00 0.00 179.01 179.33 2nwq h ARG 38 N -0.07 1.23 -0.18 1.92 9.65 -1.96 -1.30 114.38 123.67 2nwq h ARG 38 Ca -0.02 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 2nwq h ARG 38 Cb 1.02 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 2nwq h ARG 38 CO 0.08 0.86 0.06 1.25 2.80 0.00 0.00 179.97 185.02 2nwq h LEU 39 N 1.25 0.25 -0.64 3.80 5.85 -0.85 -2.84 115.31 122.12 2nwq h LEU 39 Ca 0.32 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2nwq h LEU 39 Cb -0.05 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2nwq h LEU 39 CO -0.06 0.37 -0.02 1.56 -0.34 0.00 0.00 178.44 179.95 2nwq h GLN 40 N 0.12 1.04 -0.86 1.25 4.20 -0.54 -1.99 115.11 118.33 2nwq h GLN 40 Ca 0.06 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.46 2nwq h GLN 40 Cb 0.20 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2nwq h GLN 40 CO -0.00 1.03 0.57 0.00 -0.67 0.00 0.00 178.83 179.75 2nwq h ALA 41 N 1.02 1.44 -0.21 3.87 0.00 -1.27 -0.44 119.26 123.66 2nwq h ALA 41 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2nwq h ALA 41 Cb 0.57 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2nwq h ALA 41 CO 0.03 0.49 -0.28 1.25 0.00 0.00 0.00 179.25 180.75 2nwq h LEU 42 N 1.10 0.61 -0.67 0.00 5.85 -1.24 -1.91 115.31 119.06 2nwq h LEU 42 Ca 0.33 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2nwq h LEU 42 Cb -0.03 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2nwq h LEU 42 CO -0.09 0.99 0.30 0.00 -0.34 0.00 0.00 178.44 179.31 2nwq h ALA 43 N 0.64 0.86 -0.78 1.25 0.00 -1.19 -1.62 119.26 118.42 2nwq h ALA 43 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2nwq h ALA 43 Cb 0.85 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2nwq h ALA 43 CO 0.07 0.44 0.48 0.78 0.00 0.00 0.00 179.25 181.02 2nwq h GLY 44 N 0.93 1.12 0.94 0.00 0.00 -1.03 0.85 103.07 105.88 2nwq h GLY 44 Ca 0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2nwq h GLY 44 CO -0.03 0.44 0.15 -2.09 0.00 0.00 0.00 176.54 175.01 2nwq h GLU 45 N 1.06 0.55 0.00 4.80 4.81 -1.16 -3.23 114.58 121.41 2nwq h GLU 45 Ca 0.28 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2nwq h GLU 45 Cb -0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2nwq h GLU 45 CO -0.06 0.53 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.65 2nwq h LEU 46 N 0.46 0.00 -1.83 1.64 3.38 -1.06 -3.09 115.31 114.80 2nwq h LEU 46 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2nwq h LEU 46 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2nwq h LEU 46 CO -0.01 0.00 0.02 0.28 0.09 0.00 0.00 178.44 178.82 2nwq h SER 47 N 0.00 0.00 0.68 -0.43 0.02 -0.85 0.11 113.55 113.08 2nwq h SER 47 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2nwq h SER 47 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2nwq h SER 47 CO 0.00 0.00 -0.43 0.00 -1.14 0.00 0.00 176.83 175.26 2nwq h ALA 48 N 1.96 1.06 0.00 3.77 0.00 -1.71 -3.36 119.26 120.99 2nwq h ALA 48 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 2nwq h ALA 48 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2nwq h ALA 48 CO 0.00 0.54 -2.09 1.63 0.00 0.00 0.00 179.25 179.32 2nwq n LYS 49 N -3.70 1.19 -3.92 0.00 5.02 0.21 -5.08 118.16 111.89 2nwq n LYS 49 Ca -0.01 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2nwq n LYS 49 Cb 0.51 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 2nwq n LYS 49 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2nwq s THR 50 N -2.39 0.00 -0.03 -0.18 2.01 -0.22 -4.76 115.64 110.08 2nwq s THR 50 Ca -0.13 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 2nwq s THR 50 Cb 0.05 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2nwq s THR 50 CO 0.60 0.00 1.47 -0.13 -0.69 0.00 0.00 174.62 175.87 2nwq s ARG 51 N -3.51 4.24 0.00 4.92 0.52 -1.26 -3.94 118.95 119.92 2nwq s ARG 51 Ca 0.18 2.02 0.06 0.00 -0.52 0.00 0.00 55.73 57.46 2nwq s ARG 51 Cb -0.04 -3.70 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 2nwq s ARG 51 CO 0.10 -0.67 -0.19 0.08 0.02 0.00 0.00 175.30 174.64 2nwq s VAL 52 N 2.96 1.50 -0.30 3.52 1.01 -1.26 -0.64 120.40 127.20 2nwq s VAL 52 Ca 0.66 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2nwq s VAL 52 Cb -0.31 -1.27 0.09 0.00 0.00 0.00 0.00 36.38 34.89 2nwq s VAL 52 CO 0.26 0.35 0.04 -0.22 0.00 0.00 0.00 175.10 175.53 2nwq s LEU 53 N -0.65 3.02 -0.03 3.92 2.96 0.15 -4.96 118.68 123.09 2nwq s LEU 53 Ca 0.07 -1.65 -0.28 0.00 -0.22 0.00 0.00 54.13 52.05 2nwq s LEU 53 Cb -0.08 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 2nwq s LEU 53 CO -0.00 -0.36 0.92 -2.16 -1.32 0.00 0.00 176.35 173.43 2nwq s PRO 54 N 1.36 4.51 -0.16 0.98 0.04 -1.26 -0.29 135.00 140.19 2nwq s PRO 54 Ca 0.06 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.41 2nwq s PRO 54 Cb -0.18 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 30.90 2nwq s PRO 54 CO -0.15 -0.06 -0.21 -0.51 0.04 0.00 0.00 177.00 176.11 2nwq s LEU 55 N 1.11 2.11 -0.41 -3.56 1.02 0.19 -4.92 118.68 114.22 2nwq s LEU 55 Ca 0.48 -0.62 -0.27 0.00 0.02 0.00 0.00 54.13 53.74 2nwq s LEU 55 Cb -0.20 -1.46 0.02 0.00 0.02 0.00 0.00 46.19 44.58 2nwq s LEU 55 CO 0.24 0.04 0.97 -0.89 0.02 0.00 0.00 176.35 176.74 2nwq s THR 56 N 1.04 4.49 -0.10 5.49 2.01 -1.26 -1.82 115.64 125.49 2nwq s THR 56 Ca -0.01 1.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.81 2nwq s THR 56 Cb -0.14 -4.41 0.09 0.00 0.01 0.00 0.00 72.50 68.05 2nwq s THR 56 CO -0.07 -0.69 0.82 -1.48 -0.69 0.00 0.00 174.62 172.51 2nwq s LEU 57 N 3.72 -0.54 -0.24 4.42 0.05 0.33 -4.89 118.68 121.54 2nwq s LEU 57 Ca 0.40 0.58 -0.19 0.00 0.05 0.00 0.00 54.13 54.98 2nwq s LEU 57 Cb -0.11 2.25 -0.03 0.00 -2.05 0.00 0.00 46.19 46.26 2nwq s LEU 57 CO 0.22 -0.50 0.55 -0.62 -0.55 0.00 0.00 176.35 175.46 2nwq s ASP 58 N -1.16 6.53 0.48 1.48 3.68 -1.26 -3.02 116.67 123.40 2nwq s ASP 58 Ca -0.07 0.64 0.33 0.00 2.13 0.00 0.00 52.55 55.57 2nwq s ASP 58 Cb -0.00 -2.30 1.63 0.00 -1.45 0.00 0.00 42.92 40.80 2nwq s ASP 58 CO 0.06 -0.27 1.99 -0.37 0.13 0.00 0.00 175.17 176.71 2nwq h VAL 59 N 5.30 0.00 0.00 1.11 -1.51 -1.95 -1.86 116.25 117.34 2nwq h VAL 59 Ca -0.30 -0.15 -0.06 0.00 -1.23 0.00 0.00 66.70 64.96 2nwq h VAL 59 Cb 1.14 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2nwq h VAL 59 CO 0.74 0.00 -0.29 0.03 -1.23 0.00 0.00 177.57 176.82 2nwq h ARG 60 N 0.00 0.00 -5.46 5.19 3.08 -1.90 -3.36 114.38 111.94 2nwq h ARG 60 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2nwq h ARG 60 Cb 0.17 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.08 2nwq h ARG 60 CO 0.00 0.29 0.73 0.34 -1.07 0.00 0.00 179.97 180.26 2nwq s ASP 61 N -6.43 6.31 0.16 7.04 3.68 -0.70 -4.87 116.67 121.86 2nwq s ASP 61 Ca -0.01 -1.25 -0.15 0.00 2.13 0.00 0.00 52.55 53.27 2nwq s ASP 61 Cb 0.12 -2.44 0.03 0.00 -1.45 0.00 0.00 42.92 39.19 2nwq s ASP 61 CO 0.66 -1.38 1.79 -0.09 0.13 0.00 0.00 175.17 176.28 2nwq h ARG 62 N 9.44 0.62 -0.81 4.34 2.43 -1.86 -2.85 114.38 125.70 2nwq h ARG 62 Ca -0.14 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 2nwq h ARG 62 Cb 1.05 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 2nwq h ARG 62 CO 1.19 0.46 0.36 0.00 -1.51 0.00 0.00 179.97 180.47 2nwq h ALA 63 N 1.13 1.12 0.00 2.80 0.00 -1.98 -1.56 119.26 120.78 2nwq h ALA 63 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nwq h ALA 63 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2nwq h ALA 63 CO -0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2nwq n ALA 64 N -2.43 2.05 0.00 0.00 0.00 -1.07 -1.17 120.51 117.88 2nwq n ALA 64 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2nwq n ALA 64 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.59 0.00 -0.28 0.00 2.88 -0.59 -0.53 113.62 115.70 2nwq n SER 66 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2nwq n SER 66 Cb 0.26 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.98 -0.61 -1.46 0.00 -1.40 -1.01 119.26 115.76 2nwq h ALA 67 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2nwq h ALA 67 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2nwq h ALA 67 CO 0.00 0.45 0.19 0.00 0.00 0.00 0.00 179.25 179.90 2nwq h ALA 68 N 1.24 0.80 -0.01 0.00 0.00 -1.06 -2.44 119.26 117.79 2nwq h ALA 68 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2nwq h ALA 68 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2nwq h ALA 68 CO -0.05 0.47 -0.00 0.28 0.00 0.00 0.00 179.25 179.95 2nwq h VAL 69 N 0.88 1.30 0.00 0.00 2.07 -1.77 -2.86 116.25 115.86 2nwq h VAL 69 Ca 0.20 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2nwq h VAL 69 Cb 0.29 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2nwq h VAL 69 CO -0.01 0.23 -0.00 0.44 0.02 0.00 0.00 177.57 178.25 2nwq h ASP 70 N -0.35 0.00 -0.15 0.57 3.45 -1.20 -2.12 116.42 116.61 2nwq h ASP 70 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2nwq h ASP 70 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2nwq h ASP 70 CO 0.00 0.00 0.00 -3.20 -1.57 0.00 0.00 179.24 174.47 2nwq n ASN 71 N -3.10 2.46 -4.77 6.45 5.15 -0.92 -4.95 115.26 115.58 2nwq n ASN 71 Ca -0.02 -1.82 -0.40 0.00 -0.60 0.00 0.00 54.58 51.74 2nwq n ASN 71 Cb 0.11 -0.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.28 2nwq n ASN 71 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2nwq s LEU 72 N -1.76 4.15 1.00 1.20 1.43 -0.80 -4.99 118.68 118.91 2nwq s LEU 72 Ca 0.34 2.91 -0.13 0.00 -1.03 0.00 0.00 54.13 56.22 2nwq s LEU 72 Cb 0.20 -3.89 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2nwq s LEU 72 CO 0.30 -1.10 0.52 -2.65 0.23 0.00 0.00 176.35 173.66 2nwq n PRO 73 N -0.07 -0.78 0.31 1.29 -0.02 -1.26 -4.89 135.00 129.58 2nwq n PRO 73 Ca 0.04 -0.19 0.21 0.00 -2.02 0.00 0.00 63.50 61.54 2nwq n PRO 73 Cb 0.42 -1.95 1.08 0.00 -0.02 0.00 0.00 33.50 33.02 2nwq n PRO 73 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2nwq h GLU 74 N -1.83 0.00 -0.31 -0.52 4.11 -2.00 -2.48 114.58 111.55 2nwq h GLU 74 Ca -0.47 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.05 2nwq h GLU 74 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2nwq h GLU 74 CO 0.38 0.00 0.28 1.49 0.07 0.00 0.00 179.01 181.23 2nwq h GLU 75 N 0.00 0.00 -0.55 1.06 4.81 -1.96 -2.01 114.58 115.94 2nwq h GLU 75 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2nwq h GLU 75 Cb 0.06 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.27 2nwq h GLU 75 CO 0.00 0.00 0.14 1.19 -0.73 0.00 0.00 179.01 179.61 2nwq n PHE 76 N -4.00 1.69 0.03 0.92 3.01 -0.93 -4.53 117.46 113.66 2nwq n PHE 76 Ca 0.05 -1.68 0.01 0.00 1.01 0.00 0.00 57.45 56.83 2nwq n PHE 76 Cb 0.44 -0.63 0.33 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.02 1.42 -3.53 4.37 0.00 -1.53 -3.38 119.26 117.62 2nwq h ALA 77 Ca 0.35 -0.20 -0.67 0.00 0.00 0.00 0.00 54.91 54.39 2nwq h ALA 77 Cb 2.03 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 19.53 2nwq h ALA 77 CO 0.61 0.41 -0.70 0.95 0.00 0.00 0.00 179.25 180.52 2nwq s THR 78 N -4.92 3.68 -0.08 0.00 -4.23 -1.26 -4.69 115.64 104.14 2nwq s THR 78 Ca -0.07 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2nwq s THR 78 Cb 0.15 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.34 2nwq s THR 78 CO 0.75 0.27 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.74 2nwq s LEU 79 N -1.78 1.71 -0.15 4.79 2.96 0.82 -4.87 118.68 122.16 2nwq s LEU 79 Ca 0.20 -0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 53.47 2nwq s LEU 79 Cb -0.11 -0.99 -0.25 0.00 0.50 0.00 0.00 46.19 45.34 2nwq s LEU 79 CO 0.11 0.04 0.64 -0.09 -1.32 0.00 0.00 176.35 175.73 2nwq h ARG 80 N 7.11 0.03 -5.10 1.98 2.43 -1.80 -3.35 114.38 115.69 2nwq h ARG 80 Ca -0.29 -0.06 -0.37 0.00 -0.81 0.00 0.00 59.98 58.45 2nwq h ARG 80 Cb 1.19 0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 30.55 2nwq h ARG 80 CO 0.47 1.03 -0.76 0.20 -1.51 0.00 0.00 179.97 179.40 2nwq s GLY 81 N -4.42 0.78 -0.08 2.80 0.00 -0.55 -0.34 107.32 105.52 2nwq s GLY 81 Ca -0.21 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 2nwq s GLY 81 CO 0.68 -1.02 -0.03 -2.27 0.00 0.00 0.00 173.10 170.47 2nwq s LEU 82 N -1.81 0.86 -0.40 0.66 2.96 -0.11 -2.16 118.68 118.68 2nwq s LEU 82 Ca -0.03 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 2nwq s LEU 82 Cb -0.09 -0.54 0.04 0.00 0.50 0.00 0.00 46.19 46.09 2nwq s LEU 82 CO 0.02 -0.15 0.25 -0.63 -1.32 0.00 0.00 176.35 174.51 2nwq s ILE 83 N 1.72 4.69 -1.03 6.68 1.01 -0.57 -0.18 121.20 133.53 2nwq s ILE 83 Ca 0.02 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 2nwq s ILE 83 Cb -0.13 -3.67 0.10 0.00 0.01 0.00 0.00 42.46 38.77 2nwq s ILE 83 CO -0.05 -0.32 1.34 0.20 0.00 0.00 0.00 174.94 176.11 2nwq s ASN 84 N 1.73 6.65 -0.05 3.58 0.01 -0.44 -2.40 114.94 124.02 2nwq s ASN 84 Ca 0.03 -1.97 0.13 0.00 -0.71 0.00 0.00 52.86 50.33 2nwq s ASN 84 Cb -0.20 -2.48 -0.19 0.00 0.41 0.00 0.00 41.25 38.79 2nwq s ASN 84 CO 0.07 -1.20 0.21 -3.20 -1.51 0.00 0.00 177.10 171.46 2nwq n ASN 85 N 7.48 1.93 -4.70 -1.22 2.85 -1.24 -2.13 115.26 118.22 2nwq n ASN 85 Ca 0.31 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.36 2nwq n ASN 85 Cb 0.49 1.34 -0.03 0.00 1.24 0.00 0.00 39.78 42.82 2nwq n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nwq s ALA 86 N -2.72 3.82 0.00 5.20 0.00 -1.12 -4.87 121.76 122.08 2nwq s ALA 86 Ca -0.05 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2nwq s ALA 86 Cb 0.07 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2nwq s ALA 86 CO 0.54 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2nwq n GLY 87 N 4.12 1.05 3.33 0.00 0.00 -1.26 -4.55 105.19 107.87 2nwq n GLY 87 Ca 0.17 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.37 0.03 0.99 2.34 -1.26 -5.03 118.68 116.12 2nwq s LEU 88 Ca 0.00 0.01 0.04 0.00 0.06 0.00 0.00 54.13 54.23 2nwq s LEU 88 Cb 0.00 1.77 -0.04 0.00 -0.56 0.00 0.00 46.19 47.36 2nwq s LEU 88 CO 0.00 -0.67 -0.05 0.00 -1.06 0.00 0.00 176.35 174.57 2nwq s ALA 89 N -2.48 3.09 -0.37 1.48 0.00 -1.26 -4.93 121.76 117.29 2nwq s ALA 89 Ca -0.05 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.92 2nwq s ALA 89 Cb -0.01 -1.14 0.44 0.00 0.00 0.00 0.00 23.12 22.41 2nwq s ALA 89 CO -0.02 0.64 1.14 1.28 0.00 0.00 0.00 175.76 178.79 2nwq n LEU 90 N 1.25 4.55 0.00 0.00 4.77 -1.26 -5.09 117.00 121.22 2nwq n LEU 90 Ca -0.14 -4.89 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 2nwq n LEU 90 Cb 0.52 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2nwq n LEU 90 CO 0.33 2.12 0.00 0.61 -1.33 0.00 0.00 177.39 179.12 2nwq n GLY 91 N -0.56 0.98 0.12 -0.72 0.00 -1.26 -4.91 105.19 98.85 2nwq n GLY 91 Ca 0.39 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 44.33 2nwq n GLY 91 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2nwq n THR 92 N 0.38 1.02 -1.77 2.61 5.66 -1.26 -4.87 114.28 116.05 2nwq n THR 92 Ca 0.00 -1.17 -0.38 0.00 -3.05 0.00 0.00 64.05 59.45 2nwq n THR 92 Cb 0.00 0.28 0.05 0.00 -1.55 0.00 0.00 70.33 69.11 2nwq n THR 92 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2nwq s ASP 93 N -1.60 5.01 0.30 1.09 -0.00 -1.26 -3.97 116.67 116.24 2nwq s ASP 93 Ca 0.12 2.72 -0.29 0.00 -0.00 0.00 0.00 52.55 55.10 2nwq s ASP 93 Cb 0.11 -2.63 -0.13 0.00 -0.00 0.00 0.00 42.92 40.27 2nwq s ASP 93 CO 0.01 -1.74 1.32 -2.65 -0.00 0.00 0.00 175.17 172.11 2nwq n PRO 94 N -1.36 2.05 -0.34 8.23 -0.02 -1.26 -4.55 135.00 137.75 2nwq n PRO 94 Ca 0.12 0.72 0.23 0.00 -2.02 0.00 0.00 63.50 62.56 2nwq n PRO 94 Cb 0.46 -2.32 0.46 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.16 1.97 0.00 3.55 0.00 -1.95 -1.47 119.26 124.53 2nwq h ALA 95 Ca -0.45 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2nwq h ALA 95 Cb 1.28 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2nwq h ALA 95 CO 0.67 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2nwq n GLN 96 N -4.97 0.06 0.00 0.00 0.00 -1.26 -2.29 117.38 108.92 2nwq n GLN 96 Ca 0.31 0.25 0.00 0.00 0.00 0.00 0.00 57.00 57.55 2nwq n GLN 96 Cb 0.94 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.68 2nwq n GLN 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2nwq n SER 97 N -1.43 1.54 -4.81 2.61 3.41 -0.56 -5.07 113.62 109.33 2nwq n SER 97 Ca 0.04 -1.60 -0.32 0.00 -0.26 0.00 0.00 58.87 56.73 2nwq n SER 97 Cb 0.13 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.34 6.49 0.58 0.00 -1.08 -1.26 -4.98 116.67 113.08 2nwq s ASP 99 Ca 0.61 0.58 0.36 0.00 -0.52 0.00 0.00 52.55 53.58 2nwq s ASP 99 Cb -0.15 -2.23 1.73 0.00 -1.46 0.00 0.00 42.92 40.81 2nwq s ASP 99 CO 0.48 0.00 2.13 -0.07 0.52 0.00 0.00 175.17 178.23 2nwq h LEU 100 N 7.08 0.00 -0.46 -1.34 3.38 -1.99 -2.07 115.31 119.92 2nwq h LEU 100 Ca -0.39 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2nwq h LEU 100 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2nwq h LEU 100 CO 0.74 0.03 0.20 0.44 0.09 0.00 0.00 178.44 179.94 2nwq h ASP 101 N 0.00 0.26 0.03 -0.43 5.19 -1.99 0.46 116.42 119.95 2nwq h ASP 101 Ca -0.00 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 2nwq h ASP 101 Cb 0.32 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2nwq h ASP 101 CO 0.00 0.19 -0.23 0.44 -3.12 0.00 0.00 179.24 176.52 2nwq h ASP 102 N 0.40 0.33 -0.06 6.45 3.32 -1.79 -0.95 116.42 124.13 2nwq h ASP 102 Ca 0.21 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 2nwq h ASP 102 Cb 0.15 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2nwq h ASP 102 CO -0.17 0.58 -0.82 -0.50 -1.72 0.00 0.00 179.24 176.61 2nwq h TRP 103 N 0.31 0.99 -0.19 4.55 4.06 -1.40 -3.00 115.95 121.26 2nwq h TRP 103 Ca 0.05 -0.45 0.02 0.00 2.06 0.00 0.00 58.89 60.57 2nwq h TRP 103 Cb 0.58 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 2nwq h TRP 103 CO 0.01 1.28 0.05 -0.44 -3.56 0.00 0.00 178.44 175.78 2nwq h ASP 104 N 0.48 0.04 0.00 -3.49 3.32 -0.71 -1.82 116.42 114.23 2nwq h ASP 104 Ca -0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2nwq h ASP 104 Cb 1.44 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2nwq h ASP 104 CO 0.16 0.05 0.00 0.41 -1.72 0.00 0.00 179.24 178.14 2nwq n THR 105 N -5.07 0.00 0.00 0.35 -1.04 -0.38 -0.21 114.28 107.94 2nwq n THR 105 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2nwq n THR 105 Cb 0.08 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.42 0.00 -0.18 12.58 0.31 -0.69 -1.34 118.33 129.43 2nwq n VAL 107 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2nwq n VAL 107 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.00 4.52 3.32 -0.83 -1.88 116.42 122.49 2nwq h ASP 108 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 2nwq h ASP 108 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2nwq h ASP 108 CO 0.00 0.96 -0.24 0.74 -1.72 0.00 0.00 179.24 178.98 2nwq h THR 109 N 0.91 0.54 0.00 0.35 2.02 -1.43 0.95 112.91 116.25 2nwq h THR 109 Ca 0.18 -1.46 -0.10 0.00 0.77 0.00 0.00 66.41 65.79 2nwq h THR 109 Cb 0.45 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2nwq h THR 109 CO 0.02 0.18 -0.49 0.78 0.37 0.00 0.00 175.52 176.38 2nwq h ASN 110 N -1.00 0.00 0.00 4.18 4.21 -1.79 -2.76 115.58 118.42 2nwq h ASN 110 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 2nwq h ASN 110 Cb 0.49 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2nwq h ASN 110 CO -0.02 0.49 -0.19 -0.38 -1.29 0.00 0.00 177.43 176.04 2nwq n ILE 111 N -3.67 0.37 -0.13 2.81 5.41 -0.88 -4.34 119.36 118.93 2nwq n ILE 111 Ca -0.01 0.32 -0.07 0.00 1.00 0.00 0.00 62.75 64.00 2nwq n ILE 111 Cb 0.56 -1.56 0.01 0.00 -0.71 0.00 0.00 39.64 37.94 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 -0.19 0.48 -0.38 0.38 1.57 -1.36 -0.25 116.57 116.83 2nwq h LYS 112 Ca 0.00 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2nwq h LYS 112 Cb 0.19 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2nwq h LYS 112 CO 0.00 0.32 0.02 0.78 -0.57 0.00 0.00 179.45 180.00 2nwq h GLY 113 N 0.50 0.39 0.96 3.86 0.00 -0.50 -0.08 103.07 108.20 2nwq h GLY 113 Ca 0.16 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.54 2nwq h GLY 113 CO -0.07 -0.08 0.59 -2.00 0.00 0.00 0.00 176.54 174.98 2nwq h LEU 114 N 0.12 1.01 -0.66 3.11 6.46 -1.41 -2.15 115.31 121.80 2nwq h LEU 114 Ca 0.18 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.79 2nwq h LEU 114 Cb 0.25 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 2nwq h LEU 114 CO -0.29 0.72 -0.38 -0.07 -0.62 0.00 0.00 178.44 177.79 2nwq h LEU 115 N 1.19 0.65 0.36 2.25 3.38 -0.04 -1.40 115.31 121.70 2nwq h LEU 115 Ca 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2nwq h LEU 115 Cb -0.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2nwq h LEU 115 CO -0.09 0.96 -0.17 1.88 0.09 0.00 0.00 178.44 181.11 2nwq h TYR 116 N 0.51 -0.45 -0.88 1.13 0.99 -0.82 -0.96 116.97 116.49 2nwq h TYR 116 Ca 0.05 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.78 2nwq h TYR 116 Cb 0.89 0.15 -0.05 0.00 1.00 0.00 0.00 36.73 38.72 2nwq h TYR 116 CO 0.04 -0.14 0.58 0.66 -0.00 0.00 0.00 178.16 179.30 2nwq h SER 117 N -0.77 0.98 -0.14 3.88 4.64 -1.35 -0.63 113.55 120.17 2nwq h SER 117 Ca -0.05 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 2nwq h SER 117 Cb 0.51 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2nwq h SER 117 CO 0.08 0.70 -0.51 0.00 -0.87 0.00 0.00 176.83 176.23 2nwq h THR 118 N 1.15 1.30 -0.43 2.95 1.03 -1.27 -2.63 112.91 115.01 2nwq h THR 118 Ca 0.33 -1.71 -0.13 0.00 -0.01 0.00 0.00 66.41 64.89 2nwq h THR 118 Cb -0.08 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 2nwq h THR 118 CO -0.09 0.55 -0.25 -0.09 -0.01 0.00 0.00 175.52 175.63 2nwq h ARG 119 N 0.56 0.92 -0.05 0.00 9.65 -0.96 -1.77 114.38 122.73 2nwq h ARG 119 Ca 0.02 -0.42 -0.15 0.00 -1.10 0.00 0.00 59.98 58.33 2nwq h ARG 119 Cb 1.07 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.62 2nwq h ARG 119 CO 0.10 1.08 -0.64 -0.07 2.80 0.00 0.00 179.97 183.25 2nwq h LEU 120 N 0.75 0.22 0.00 3.80 3.38 -1.14 -3.22 115.31 119.11 2nwq h LEU 120 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2nwq h LEU 120 Cb 0.83 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2nwq h LEU 120 CO 0.07 0.80 -1.34 0.18 0.09 0.00 0.00 178.44 178.24 2nwq n LEU 121 N -3.84 0.51 -0.32 1.67 4.77 -0.99 -4.45 117.00 114.35 2nwq n LEU 121 Ca -0.02 -0.11 0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2nwq n LEU 121 Cb 0.64 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.94 2nwq n LEU 121 CO 0.44 0.06 1.15 0.25 -1.33 0.00 0.00 177.39 177.97 2nwq h LEU 122 N 0.00 0.67 -1.87 2.23 5.85 -1.32 0.84 115.31 121.71 2nwq h LEU 122 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2nwq h LEU 122 Cb 0.78 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2nwq h LEU 122 CO 0.00 0.28 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.61 2nwq h PRO 123 N 0.73 0.00 0.02 5.25 0.11 -1.78 -1.62 132.00 134.70 2nwq h PRO 123 Ca 0.50 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.41 2nwq h PRO 123 Cb 0.69 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 2nwq h PRO 123 CO -0.35 0.12 -0.94 0.00 -0.21 0.00 0.00 178.00 176.62 2nwq h ARG 124 N 0.00 0.08 -0.24 1.05 3.08 -1.14 -2.02 114.38 115.19 2nwq h ARG 124 Ca -0.00 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 2nwq h ARG 124 Cb 0.36 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2nwq h ARG 124 CO 0.02 0.96 -0.55 -0.07 -1.07 0.00 0.00 179.97 179.26 2nwq h LEU 125 N 0.04 0.82 -0.50 3.04 3.38 -0.81 0.24 115.31 121.52 2nwq h LEU 125 Ca -0.03 -0.44 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 2nwq h LEU 125 Cb 1.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2nwq h LEU 125 CO 0.13 1.20 -0.49 0.40 0.09 0.00 0.00 178.44 179.77 2nwq h ILE 126 N 0.57 1.30 -0.84 1.22 2.04 -1.37 -1.51 117.51 118.91 2nwq h ILE 126 Ca 0.01 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 64.21 2nwq h ILE 126 Cb 1.13 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 2nwq h ILE 126 CO 0.11 0.54 0.53 0.00 0.00 0.00 0.00 178.15 179.33 2nwq h ALA 127 N 0.93 1.13 0.33 1.87 0.00 -1.30 -2.77 119.26 119.45 2nwq h ALA 127 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nwq h ALA 127 Cb 1.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2nwq h ALA 127 CO 0.10 0.32 -0.16 1.25 0.00 0.00 0.00 179.25 180.77 2nwq h HIS 128 N 1.00 -0.41 0.00 0.00 -0.00 -1.28 -3.48 115.15 110.99 2nwq h HIS 128 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 2nwq h HIS 128 Cb 0.08 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2nwq h HIS 128 CO -0.03 -0.15 0.00 0.41 -0.00 0.00 0.00 177.93 178.16 2nwq n GLY 129 N -0.81 1.47 3.67 5.26 0.00 -0.58 -4.90 105.19 109.30 2nwq n GLY 129 Ca -0.10 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 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 5.43 1.43 -0.02 4.61 0.00 -1.25 -1.89 120.51 128.83 2nwq n ALA 130 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2nwq n ALA 130 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 4.41 0.27 3.77 0.00 0.00 -1.24 -5.03 105.19 107.36 2nwq n GLY 131 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.07 3.08 -0.01 4.61 0.00 -0.79 -4.93 121.76 121.65 2nwq s ALA 132 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.85 2nwq s ALA 132 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2nwq s ALA 132 CO 0.00 -0.48 -0.02 -1.12 0.00 0.00 0.00 175.76 174.14 2nwq s SER 133 N -1.32 0.30 -0.16 0.00 0.01 0.54 -0.49 113.70 112.57 2nwq s SER 133 Ca 0.59 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 2nwq s SER 133 Cb -0.28 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 2nwq s SER 133 CO 0.34 0.00 -0.11 -0.63 0.41 0.00 0.00 173.24 173.26 2nwq s ILE 134 N 0.14 3.08 -0.28 1.44 1.01 0.11 -0.93 121.20 125.77 2nwq s ILE 134 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2nwq s ILE 134 Cb -0.03 -2.33 0.06 0.00 0.01 0.00 0.00 42.46 40.17 2nwq s ILE 134 CO -0.00 0.50 -0.06 -0.69 0.00 0.00 0.00 174.94 174.69 2nwq s VAL 135 N 0.74 2.57 0.12 2.92 1.01 0.75 -1.14 120.40 127.37 2nwq s VAL 135 Ca -0.05 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.19 2nwq s VAL 135 Cb -0.15 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 2nwq s VAL 135 CO 0.02 -0.07 0.67 0.20 0.00 0.00 0.00 175.10 175.91 2nwq s ASN 136 N 1.18 7.21 -0.60 3.32 0.01 -0.46 -1.33 114.94 124.26 2nwq s ASN 136 Ca -0.07 1.44 -0.19 0.00 -0.71 0.00 0.00 52.86 53.32 2nwq s ASN 136 Cb -0.20 -2.42 0.10 0.00 0.41 0.00 0.00 41.25 39.14 2nwq s ASN 136 CO -0.03 0.23 0.75 -0.76 -1.51 0.00 0.00 177.10 175.78 2nwq s LEU 137 N -1.18 5.22 0.00 0.60 1.02 -0.91 -1.88 118.68 121.56 2nwq s LEU 137 Ca 0.33 -1.36 0.00 0.00 0.02 0.00 0.00 54.13 53.12 2nwq s LEU 137 Cb -0.21 -2.32 0.00 0.00 0.02 0.00 0.00 46.19 43.68 2nwq s LEU 137 CO 0.22 -1.17 0.00 0.61 0.02 0.00 0.00 176.35 176.03 2nwq n GLY 138 N 5.29 1.56 3.52 -3.19 0.00 0.72 -4.98 105.19 108.11 2nwq n GLY 138 Ca -0.09 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.35 0.56 1.61 0.15 -1.25 -4.30 113.70 109.12 2nwq s SER 139 Ca 0.00 0.04 0.25 0.00 0.70 0.00 0.00 55.95 56.95 2nwq s SER 139 Cb 0.00 0.36 1.48 0.00 -1.71 0.00 0.00 66.02 66.15 2nwq s SER 139 CO 0.00 -0.56 2.05 -0.37 1.20 0.00 0.00 173.24 175.56 2nwq h VAL 140 N 2.06 0.65 0.00 4.45 -1.51 -1.62 -1.54 116.25 118.74 2nwq h VAL 140 Ca -0.21 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2nwq h VAL 140 Cb 1.23 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2nwq h VAL 140 CO 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.62 2nwq h ALA 141 N 1.77 1.06 0.00 5.19 0.00 -1.84 -1.12 119.26 124.32 2nwq h ALA 141 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2nwq h ALA 141 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2nwq h ALA 141 CO -0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2nwq n GLY 142 N -0.64 -1.30 0.00 0.00 0.00 -0.58 -4.01 105.19 98.66 2nwq n GLY 142 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2nwq n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nwq n LYS 143 N -1.82 2.27 -3.98 1.61 4.81 -0.87 -4.03 118.16 116.15 2nwq n LYS 143 Ca 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.14 2nwq n LYS 143 Cb 0.26 -0.92 -0.15 0.00 0.02 0.00 0.00 35.03 34.25 2nwq n LYS 143 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2nwq s TRP 144 N -1.84 2.90 0.59 5.64 0.52 -0.48 -5.11 118.94 121.17 2nwq s TRP 144 Ca 0.00 -1.16 -0.15 0.00 0.02 0.00 0.00 56.10 54.80 2nwq s TRP 144 Cb 0.00 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2nwq s TRP 144 CO 0.00 -0.63 1.05 -2.14 0.02 0.00 0.00 176.95 175.25 2nwq s PRO 145 N 1.41 3.38 -0.13 4.98 0.02 -1.26 -4.54 135.00 138.86 2nwq s PRO 145 Ca 0.05 1.14 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 2nwq s PRO 145 Cb -0.14 -2.04 0.13 0.00 0.02 0.00 0.00 34.50 32.47 2nwq s PRO 145 CO -0.06 -0.75 1.06 1.52 -0.33 0.00 0.00 177.00 178.44 2nwq s TYR 146 N -2.54 -0.26 0.18 6.54 1.13 -1.26 -5.09 117.35 116.05 2nwq s TYR 146 Ca 0.62 0.28 -0.33 0.00 -1.41 0.00 0.00 57.07 56.23 2nwq s TYR 146 Cb -0.15 0.50 -0.14 0.00 -1.10 0.00 0.00 41.96 41.07 2nwq s TYR 146 CO 0.38 -0.33 1.49 -2.30 -2.51 0.00 0.00 175.55 172.28 2nwq n PRO 147 N 0.17 2.01 -0.95 -3.49 -0.02 -1.26 -1.89 135.00 129.58 2nwq n PRO 147 Ca -0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2nwq n PRO 147 Cb 0.59 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.89 0.66 0.24 -1.23 0.00 -1.25 -4.88 105.19 101.61 2nwq n GLY 148 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 0.76 0.00 1.61 0.87 -1.69 -3.41 113.55 111.70 2nwq h SER 149 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2nwq h SER 149 Cb 0.07 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2nwq h SER 149 CO 0.00 1.10 0.00 0.00 -0.53 0.00 0.00 176.83 177.40 2nwq n HIS 150 N -4.02 0.00 -0.07 2.24 1.44 -1.26 -1.53 115.22 112.02 2nwq n HIS 150 Ca -0.02 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.53 2nwq n HIS 150 Cb 0.56 0.00 -0.05 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 1.28 -0.26 0.61 2.07 -1.98 -2.57 116.25 115.40 2nwq h VAL 151 Ca 0.00 -1.74 0.05 0.00 0.82 0.00 0.00 66.70 65.83 2nwq h VAL 151 Cb 0.00 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2nwq h VAL 151 CO 0.00 0.56 -0.07 0.22 0.02 0.00 0.00 177.57 178.31 2nwq h TYR 152 N 0.61 -0.14 -0.58 1.57 3.20 -1.61 0.12 116.97 120.15 2nwq h TYR 152 Ca 0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2nwq h TYR 152 Cb 1.16 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 2nwq h TYR 152 CO 0.08 -0.11 0.19 0.78 -1.64 0.00 0.00 178.16 177.46 2nwq h GLY 153 N -0.00 0.95 0.62 1.82 0.00 -1.40 -1.44 103.07 103.63 2nwq h GLY 153 Ca 0.13 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2nwq h GLY 153 CO -0.27 0.52 -0.11 -1.33 0.00 0.00 0.00 176.54 175.35 2nwq h GLY 154 N 0.81 -0.06 -0.01 4.60 0.00 -1.11 0.13 103.07 107.43 2nwq h GLY 154 Ca 0.19 0.13 0.17 0.00 0.00 0.00 0.00 47.33 47.82 2nwq h GLY 154 CO -0.01 -0.12 0.28 -0.84 0.00 0.00 0.00 176.54 175.86 2nwq h THR 155 N -0.15 0.57 0.00 4.70 2.02 -0.52 0.16 112.91 119.68 2nwq h THR 155 Ca 0.07 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 2nwq h THR 155 Cb 0.25 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2nwq h THR 155 CO -0.17 0.07 -0.41 0.11 0.37 0.00 0.00 175.52 175.49 2nwq h LYS 156 N 0.38 0.00 -0.29 6.66 1.79 -0.43 -1.90 116.57 122.78 2nwq h LYS 156 Ca 0.45 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.76 2nwq h LYS 156 Cb 0.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2nwq h LYS 156 CO -0.47 0.41 -0.45 0.00 -1.08 0.00 0.00 179.45 177.86 2nwq h ALA 157 N 1.59 0.65 -0.19 3.86 0.00 0.00 -2.44 119.26 122.74 2nwq h ALA 157 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.48 2nwq h ALA 157 Cb 1.18 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2nwq h ALA 157 CO 0.05 0.67 -0.14 0.35 0.00 0.00 0.00 179.25 180.18 2nwq h PHE 158 N 0.61 -0.36 -0.81 0.00 3.57 -0.40 -2.62 116.94 116.93 2nwq h PHE 158 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2nwq h PHE 158 Cb 1.02 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 2nwq h PHE 158 CO 0.05 -0.21 0.53 0.28 -2.23 0.00 0.00 178.31 176.73 2nwq h VAL 159 N -0.15 1.16 -0.22 1.41 2.07 -1.23 -0.50 116.25 118.79 2nwq h VAL 159 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2nwq h VAL 159 Cb 0.32 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2nwq h VAL 159 CO -0.28 0.19 0.10 -0.08 0.02 0.00 0.00 177.57 177.53 2nwq h GLU 160 N 1.05 0.32 -0.33 1.57 4.81 -1.33 -0.98 114.58 119.69 2nwq h GLU 160 Ca 0.31 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.33 2nwq h GLU 160 Cb -0.05 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2nwq h GLU 160 CO -0.09 0.34 -0.44 0.37 -0.73 0.00 0.00 179.01 178.46 2nwq h GLN 161 N 0.23 0.89 -0.57 1.92 5.75 -1.24 -2.54 115.11 119.54 2nwq h GLN 161 Ca 0.08 -0.51 0.03 0.00 -0.15 0.00 0.00 58.65 58.10 2nwq h GLN 161 Cb 0.13 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2nwq h GLN 161 CO -0.01 1.15 0.34 0.35 -2.65 0.00 0.00 178.83 178.01 2nwq h PHE 162 N 0.68 0.63 -0.23 3.99 3.57 -1.01 -0.41 116.94 124.16 2nwq h PHE 162 Ca 0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2nwq h PHE 162 Cb 1.04 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 2nwq h PHE 162 CO 0.07 0.35 -0.30 0.77 -2.23 0.00 0.00 178.31 176.97 2nwq h SER 163 N 0.66 -0.95 -0.54 0.41 0.02 -1.04 0.12 113.55 112.23 2nwq h SER 163 Ca 0.23 0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.26 2nwq h SER 163 Cb 0.04 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2nwq h SER 163 CO -0.11 -0.32 0.04 -0.07 -1.14 0.00 0.00 176.83 175.22 2nwq h LEU 164 N -0.32 0.91 -0.92 5.07 3.38 -1.17 -3.01 115.31 119.25 2nwq h LEU 164 Ca 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2nwq h LEU 164 Cb 0.52 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2nwq h LEU 164 CO -0.41 0.97 0.56 0.78 0.09 0.00 0.00 178.44 180.44 2nwq h ASN 165 N 0.81 1.10 -0.80 -0.43 2.35 -0.85 -2.85 115.58 114.92 2nwq h ASN 165 Ca 0.16 -0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 2nwq h ASN 165 Cb 0.48 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 2nwq h ASN 165 CO 0.02 0.84 0.48 0.25 -1.65 0.00 0.00 177.43 177.37 2nwq h LEU 166 N 1.27 0.74 -1.72 1.61 5.85 -0.64 -1.96 115.31 120.46 2nwq h LEU 166 Ca 0.33 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.19 2nwq h LEU 166 Cb -0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2nwq h LEU 166 CO -0.06 0.47 0.41 0.03 -0.34 0.00 0.00 178.44 178.94 2nwq h ARG 167 N 0.87 0.29 0.00 1.25 3.08 -1.42 -0.71 114.38 117.75 2nwq h ARG 167 Ca 0.36 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.35 2nwq h ARG 167 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2nwq h ARG 167 CO -0.18 0.19 -0.19 0.00 -1.07 0.00 0.00 179.97 178.71 2nwq n ASP 169 N -3.31 0.65 -1.21 0.00 8.00 -0.31 -4.37 116.55 115.98 2nwq n ASP 169 Ca 0.01 -0.06 0.08 0.00 0.71 0.00 0.00 54.79 55.53 2nwq n ASP 169 Cb 0.44 0.55 0.29 0.00 -0.02 0.00 0.00 41.12 42.38 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 -2.05 4.12 -4.69 0.64 4.77 -0.95 -4.99 117.00 113.86 2nwq n LEU 170 Ca 0.02 -2.43 -0.44 0.00 -0.03 0.00 0.00 56.01 53.13 2nwq n LEU 170 Cb 0.44 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2nwq n LEU 170 CO 0.39 0.78 1.19 0.00 -1.33 0.00 0.00 177.39 178.41 2nwq n GLN 171 N 0.68 2.31 -0.09 3.23 10.64 -1.24 -2.24 117.38 130.68 2nwq n GLN 171 Ca 0.21 0.83 0.00 0.00 -1.83 0.00 0.00 57.00 56.21 2nwq n GLN 171 Cb 0.77 -2.59 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 2nwq n GLN 171 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2nwq n GLY 172 N 3.01 1.57 0.09 2.61 0.00 -1.26 -4.88 105.19 106.33 2nwq n GLY 172 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2nwq n GLY 172 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nwq h THR 173 N 0.00 0.72 0.00 2.61 1.35 -1.84 -3.48 112.91 112.26 2nwq h THR 173 Ca 0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 2nwq h THR 173 Cb 0.00 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2nwq h THR 173 CO 0.00 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 2nwq n GLY 174 N 1.44 1.74 3.73 5.82 0.00 -1.26 -3.77 105.19 112.89 2nwq n GLY 174 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.51 3.48 0.02 1.61 1.01 -1.24 -3.64 120.40 119.12 2nwq s VAL 175 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.16 2nwq s VAL 175 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2nwq s VAL 175 CO 0.00 0.16 0.07 -0.13 0.00 0.00 0.00 175.10 175.19 2nwq s ARG 176 N 0.18 2.98 -0.05 2.72 0.52 0.35 -4.97 118.95 120.68 2nwq s ARG 176 Ca 0.57 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2nwq s ARG 176 Cb -0.34 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2nwq s ARG 176 CO 0.35 0.62 -0.08 0.08 0.02 0.00 0.00 175.30 176.29 2nwq s VAL 177 N -1.23 0.81 -0.05 3.52 1.01 -1.26 0.04 120.40 123.24 2nwq s VAL 177 Ca 0.24 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2nwq s VAL 177 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2nwq s VAL 177 CO 0.15 0.28 -0.13 -0.89 0.00 0.00 0.00 175.10 174.52 2nwq s THR 178 N 0.73 1.14 -0.27 3.92 2.01 -0.29 -4.42 115.64 118.46 2nwq s THR 178 Ca -0.12 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 2nwq s THR 178 Cb -0.15 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2nwq s THR 178 CO 0.02 0.35 0.35 0.21 -0.69 0.00 0.00 174.62 174.86 2nwq s ASN 179 N 0.42 6.22 -0.15 3.53 2.47 0.12 -1.35 114.94 126.20 2nwq s ASN 179 Ca -0.10 0.23 -0.05 0.00 0.42 0.00 0.00 52.86 53.36 2nwq s ASN 179 Cb -0.13 -2.20 -0.03 0.00 -1.45 0.00 0.00 41.25 37.43 2nwq s ASN 179 CO 0.03 -0.18 0.02 -0.22 -3.72 0.00 0.00 177.10 173.03 2nwq s LEU 180 N 2.03 3.60 -0.51 3.21 2.96 -0.79 -1.81 118.68 127.38 2nwq s LEU 180 Ca 0.14 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2nwq s LEU 180 Cb -0.16 -1.87 0.15 0.00 0.50 0.00 0.00 46.19 44.81 2nwq s LEU 180 CO 0.10 0.23 0.32 -1.61 -1.32 0.00 0.00 176.35 174.07 2nwq s GLU 181 N 0.01 1.59 0.47 1.98 2.02 -0.22 -0.20 118.70 124.34 2nwq s GLU 181 Ca 0.04 -2.42 -0.18 0.00 0.02 0.00 0.00 54.97 52.43 2nwq s GLU 181 Cb -0.13 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.45 2nwq s GLU 181 CO 0.02 -1.22 0.96 -2.14 0.02 0.00 0.00 175.26 172.89 2nwq s PRO 182 N -0.21 4.07 0.00 0.39 0.02 -1.26 -1.85 135.00 136.16 2nwq s PRO 182 Ca 0.22 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.24 2nwq s PRO 182 Cb -0.15 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.20 2nwq s PRO 182 CO -0.07 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2nwq n GLY 183 N -1.12 2.03 3.65 0.52 0.00 -0.43 -2.28 105.19 107.55 2nwq n GLY 183 Ca 0.07 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.20 2nwq n GLY 183 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2nwq n LEU 184 N 0.00 3.70 -4.65 0.99 7.94 -1.26 -4.91 117.00 118.81 2nwq n LEU 184 Ca 0.00 0.77 -0.23 0.00 -1.11 0.00 0.00 56.01 55.44 2nwq n LEU 184 Cb 0.00 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.40 2nwq n LEU 184 CO 0.00 -0.08 -0.30 0.00 -1.11 0.00 0.00 177.39 175.90 2nwq h GLU 186 N 1.82 0.73 -1.97 0.00 4.57 -1.56 -3.46 114.58 114.72 2nwq h GLU 186 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2nwq h GLU 186 Cb 1.25 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2nwq h GLU 186 CO 0.62 0.49 0.00 0.43 -1.18 0.00 0.00 179.01 179.37 2nwq n SER 187 N -4.52 0.00 -2.34 1.04 7.64 -1.26 -5.13 113.62 109.04 2nwq n SER 187 Ca 0.15 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2nwq n SER 187 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2nwq n SER 187 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nwq n GLY 207 N 1.47 0.52 0.09 0.23 0.00 -1.26 -5.26 105.19 100.98 2nwq n GLY 207 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 2.10 4.26 -3.88 4.61 0.00 -1.26 -5.00 120.51 121.34 2nwq n ALA 208 Ca 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.53 2nwq n ALA 208 Cb 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.23 -1.72 -1.49 0.00 -0.00 -1.26 -4.50 115.22 105.02 2nwq n HIS 209 Ca 0.06 0.38 -0.30 0.00 -0.00 0.00 0.00 57.72 57.86 2nwq n HIS 209 Cb 0.35 -2.97 0.11 0.00 -0.00 0.00 0.00 29.99 27.49 2nwq n HIS 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2nwq s PRO 210 N -6.34 1.66 -0.08 -0.41 0.04 -1.26 -4.76 135.00 123.84 2nwq s PRO 210 Ca 0.35 0.56 -0.37 0.00 0.04 0.00 0.00 61.00 61.58 2nwq s PRO 210 Cb -0.17 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 2nwq s PRO 210 CO 0.92 -1.90 1.62 -0.89 0.04 0.00 0.00 177.00 176.80 2nwq n ILE 211 N -3.61 0.22 -3.14 0.56 5.41 -0.38 -4.71 119.36 113.71 2nwq n ILE 211 Ca 0.07 -0.04 -0.31 0.00 1.00 0.00 0.00 62.75 63.47 2nwq n ILE 211 Cb 0.57 -1.24 -0.04 0.00 -0.71 0.00 0.00 39.64 38.22 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 2.36 3.78 0.43 0.38 -1.52 -1.26 -1.54 119.66 122.30 2nwq s GLN 212 Ca 0.91 0.34 0.09 0.00 -1.95 0.00 0.00 55.36 54.76 2nwq s GLN 212 Cb -0.93 -2.52 0.94 0.00 -0.22 0.00 0.00 33.01 30.28 2nwq s GLN 212 CO 0.54 0.13 2.05 -1.35 -0.25 0.00 0.00 175.29 176.42 2nwq h PRO 213 N 1.80 0.36 0.00 2.91 0.11 -1.94 -0.89 132.00 134.35 2nwq h PRO 213 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2nwq h PRO 213 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2nwq h PRO 213 CO 0.66 0.28 -0.09 1.05 -0.21 0.00 0.00 178.00 179.69 2nwq h GLU 214 N 0.37 0.00 -0.30 1.05 9.09 -1.93 -0.78 114.58 122.09 2nwq h GLU 214 Ca 0.10 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.44 2nwq h GLU 214 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 2nwq h GLU 214 CO -0.01 0.09 -0.09 -0.44 0.05 0.00 0.00 179.01 178.61 2nwq h ASP 215 N 0.00 0.59 -0.07 3.06 3.45 -1.55 0.15 116.42 122.04 2nwq h ASP 215 Ca -0.00 -0.38 0.01 0.00 0.43 0.00 0.00 57.03 57.09 2nwq h ASP 215 Cb 0.17 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 2nwq h ASP 215 CO 0.01 0.83 0.01 0.40 -1.57 0.00 0.00 179.24 178.92 2nwq h ILE 216 N 0.34 0.97 -0.52 0.35 1.08 -1.31 -1.11 117.51 117.31 2nwq h ILE 216 Ca 0.07 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.61 2nwq h ILE 216 Cb 0.58 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 2nwq h ILE 216 CO 0.03 0.01 0.16 0.00 -0.69 0.00 0.00 178.15 177.66 2nwq h ALA 217 N 1.05 0.63 -0.81 1.87 0.00 -1.13 -0.91 119.26 119.96 2nwq h ALA 217 Ca 0.03 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2nwq h ALA 217 Cb 0.03 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2nwq h ALA 217 CO -0.05 -0.25 0.50 1.49 0.00 0.00 0.00 179.25 180.95 2nwq h GLU 218 N 0.32 0.90 -0.00 0.00 4.57 -0.78 -1.71 114.58 117.89 2nwq h GLU 218 Ca 0.26 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.21 2nwq h GLU 218 Cb 0.31 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2nwq h GLU 218 CO -0.29 0.60 -0.80 0.00 -1.18 0.00 0.00 179.01 177.34 2nwq h THR 219 N 0.93 1.55 -0.27 0.32 1.03 -0.59 -2.58 112.91 113.30 2nwq h THR 219 Ca 0.35 -2.67 -0.16 0.00 -0.01 0.00 0.00 66.41 63.91 2nwq h THR 219 Cb 0.13 2.45 -0.00 0.00 -1.07 0.00 0.00 68.15 69.65 2nwq h THR 219 CO -0.16 0.77 -0.49 0.40 -0.01 0.00 0.00 175.52 176.03 2nwq h ILE 220 N 0.02 1.29 -0.66 0.00 2.04 -1.09 -1.19 117.51 117.93 2nwq h ILE 220 Ca -0.01 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2nwq h ILE 220 Cb 1.40 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 2nwq h ILE 220 CO 0.11 0.54 0.43 0.15 0.00 0.00 0.00 178.15 179.38 2nwq h PHE 221 N 0.59 0.83 -0.50 1.37 3.57 -1.26 -2.75 116.94 118.80 2nwq h PHE 221 Ca 0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2nwq h PHE 221 Cb 1.05 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2nwq h PHE 221 CO 0.06 0.53 0.21 2.35 -2.23 0.00 0.00 178.31 179.23 2nwq h TRP 222 N 0.89 0.75 0.00 0.41 7.01 -1.35 -1.63 115.95 122.03 2nwq h TRP 222 Ca 0.24 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.19 2nwq h TRP 222 Cb -0.09 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.74 2nwq h TRP 222 CO -0.03 0.62 0.00 -0.89 -2.79 0.00 0.00 178.44 175.35 2nwq n ILE 223 N -4.57 0.00 0.00 2.65 5.41 -0.46 -2.48 119.36 119.91 2nwq n ILE 223 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2nwq n ILE 223 Cb 0.14 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 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 0.16 0.00 -4.71 4.38 3.02 -0.61 -4.93 115.26 112.56 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 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 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 2.26 -1.35 3.52 1.13 -1.04 -4.93 117.38 116.97 2nwq n GLN 226 Ca 0.00 0.79 -0.44 0.00 -1.94 0.00 0.00 57.00 55.41 2nwq n GLN 226 Cb 0.00 -2.42 -0.01 0.00 0.11 0.00 0.00 30.24 27.92 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 0.65 0.04 0.26 -1.09 -0.02 -1.26 -4.81 135.00 128.78 2nwq n PRO 227 Ca 0.04 0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 2nwq n PRO 227 Cb 0.36 -1.03 0.68 0.00 -0.02 0.00 0.00 33.50 33.49 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 0.64 1.87 0.00 3.55 0.00 -1.94 -2.76 119.26 120.61 2nwq h ALA 228 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2nwq h ALA 228 Cb 1.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2nwq h ALA 228 CO 0.51 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.40 2nwq n HIS 229 N -4.38 0.00 -5.12 0.00 1.44 -1.26 -4.58 115.22 101.33 2nwq n HIS 229 Ca -0.03 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.36 2nwq n HIS 229 Cb 0.11 -0.15 -0.15 0.00 0.12 0.00 0.00 29.99 29.91 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 -2.31 2.33 -0.17 2.39 1.43 -1.04 -5.11 118.68 116.19 2nwq s LEU 230 Ca 0.36 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2nwq s LEU 230 Cb 0.20 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 45.00 2nwq s LEU 230 CO 0.40 0.29 -0.18 0.21 0.23 0.00 0.00 176.35 177.31 2nwq s ASN 231 N -0.44 3.02 -0.57 2.29 2.47 -1.26 -4.86 114.94 115.59 2nwq s ASN 231 Ca 0.05 -0.62 -0.28 0.00 0.42 0.00 0.00 52.86 52.42 2nwq s ASN 231 Cb -0.12 -1.37 0.03 0.00 -1.45 0.00 0.00 41.25 38.34 2nwq s ASN 231 CO 0.01 -0.03 1.22 -0.63 -3.72 0.00 0.00 177.10 173.95 2nwq s ILE 232 N 1.35 4.00 0.05 -5.21 1.01 -1.26 -4.90 121.20 116.24 2nwq s ILE 232 Ca 0.04 0.90 -0.23 0.00 0.00 0.00 0.00 60.65 61.37 2nwq s ILE 232 Cb -0.13 -4.68 -0.16 0.00 0.01 0.00 0.00 42.46 37.50 2nwq s ILE 232 CO -0.12 -1.29 1.53 0.78 0.00 0.00 0.00 174.94 175.84 2nwq h ASN 233 N 9.70 0.07 -5.02 3.58 2.35 -1.93 -3.33 115.58 121.00 2nwq h ASN 233 Ca -0.25 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 2nwq h ASN 233 Cb 1.06 -0.02 -0.14 0.00 0.05 0.00 0.00 38.32 39.27 2nwq h ASN 233 CO 1.18 0.28 0.12 -0.94 -1.65 0.00 0.00 177.43 176.43 2nwq s SER 234 N -5.49 -0.50 -0.22 5.81 1.04 -1.26 -0.70 113.70 112.38 2nwq s SER 234 Ca -0.14 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.33 2nwq s SER 234 Cb 0.05 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.83 2nwq s SER 234 CO 0.68 -0.85 0.37 -0.22 0.98 0.00 0.00 173.24 174.20 2nwq s LEU 235 N -2.39 -0.58 -0.18 2.42 0.20 -0.75 -4.96 118.68 112.45 2nwq s LEU 235 Ca -0.02 0.38 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 2nwq s LEU 235 Cb -0.00 1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 46.80 2nwq s LEU 235 CO -0.07 -0.28 0.08 -0.70 -0.29 0.00 0.00 176.35 175.08 2nwq s GLU 236 N 2.54 3.94 0.25 1.98 2.12 -1.26 -1.06 118.70 127.20 2nwq s GLU 236 Ca 0.09 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2nwq s GLU 236 Cb -0.15 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2nwq s GLU 236 CO -0.14 0.34 0.11 -1.50 -0.54 0.00 0.00 175.26 173.52 2nwq s ILE 237 N 0.20 0.40 0.13 -3.70 2.07 -0.77 -4.97 121.20 114.55 2nwq s ILE 237 Ca 0.05 -2.00 -0.23 0.00 -1.41 0.00 0.00 60.65 57.06 2nwq s ILE 237 Cb -0.12 -2.59 -0.07 0.00 0.13 0.00 0.00 42.46 39.80 2nwq s ILE 237 CO -0.00 0.00 0.70 -2.16 -1.91 0.00 0.00 174.94 171.57 2nwq s PRO 239 N -4.05 4.43 0.59 3.50 0.04 -1.26 -1.32 135.00 136.93 2nwq s PRO 239 Ca 0.38 1.00 0.29 0.00 0.04 0.00 0.00 61.00 62.70 2nwq s PRO 239 Cb 0.07 -3.26 1.60 0.00 0.04 0.00 0.00 34.50 32.96 2nwq s PRO 239 CO 0.13 0.59 2.04 -0.24 0.04 0.00 0.00 177.00 179.56 2nwq h VAL 240 N 3.43 0.44 0.00 -0.36 3.04 -1.89 0.30 116.25 121.22 2nwq h VAL 240 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2nwq h VAL 240 Cb 1.21 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2nwq h VAL 240 CO 0.65 0.00 0.00 0.77 -1.01 0.00 0.00 177.57 177.98 2nwq h SER 241 N 0.00 0.00 -3.28 3.17 4.64 -1.89 -3.42 113.55 112.77 2nwq h SER 241 Ca 0.12 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.83 2nwq h SER 241 Cb 0.69 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.62 2nwq h SER 241 CO -0.00 0.00 -0.57 -1.58 -0.87 0.00 0.00 176.83 173.81 2nwq s GLN 242 N -3.44 3.93 0.00 4.77 0.74 0.11 -5.08 119.66 120.68 2nwq s GLN 242 Ca 0.01 -0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.07 2nwq s GLN 242 Cb 0.08 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2nwq s GLN 242 CO 0.34 0.29 0.00 -1.13 -0.55 0.00 0.00 175.29 174.24 2nwq n SER 243 N 3.47 0.00 -4.57 6.67 3.41 -1.26 -4.79 113.62 116.54 2nwq n SER 243 Ca -0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.10 2nwq n SER 243 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.13 3.07 -0.37 7.33 0.51 -1.26 -5.01 118.94 122.08 2nwq s TRP 244 Ca 0.00 -0.08 0.23 0.00 -2.12 0.00 0.00 56.10 54.13 2nwq s TRP 244 Cb 0.00 -1.88 0.19 0.00 -0.81 0.00 0.00 33.47 30.97 2nwq s TRP 244 CO 0.00 0.18 1.31 0.00 -0.51 0.00 0.00 176.95 177.93 2nwq h ALA 245 N 6.04 0.71 0.00 0.98 0.00 -2.02 -3.50 119.26 121.47 2nwq h ALA 245 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2nwq h ALA 245 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nwq h ALA 245 CO 0.60 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2nwq n GLY 246 N 1.17 0.66 3.69 0.00 0.00 -1.26 -4.98 105.19 104.48 2nwq n GLY 246 Ca 0.02 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 2.93 -0.07 1.61 0.40 -1.26 -5.12 117.98 116.47 2nwq s PHE 247 Ca 0.00 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2nwq s PHE 247 Cb 0.00 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 2nwq s PHE 247 CO 0.00 0.50 -0.07 0.00 0.70 0.00 0.00 175.22 176.36 2nwq s ALA 248 N -1.60 3.00 -0.18 5.36 0.00 -1.26 -5.11 121.76 121.96 2nwq s ALA 248 Ca 0.27 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2nwq s ALA 248 Cb -0.10 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.78 2nwq s ALA 248 CO 0.19 0.57 -0.15 0.42 0.00 0.00 0.00 175.76 176.79 2nwq s ILE 249 N -0.79 2.58 -2.00 0.00 -1.09 -1.26 -5.28 121.20 113.36 2nwq s ILE 249 Ca 0.12 -0.78 0.23 0.00 -2.23 0.00 0.00 60.65 58.00 2nwq s ILE 249 Cb -0.11 -2.11 0.67 0.00 -1.58 0.00 0.00 42.46 39.33 2nwq s ILE 249 CO 0.01 0.50 1.77 1.57 -1.23 0.00 0.00 174.94 177.56