#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk4 s ARG 2 N 0.00 0.59 0.10 5.55 1.70 0.03 -4.94 118.95 121.98 1wk4 s ARG 2 Ca 0.00 -0.89 0.05 0.00 -0.47 0.00 0.00 55.73 54.43 1wk4 s ARG 2 Cb 0.00 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1wk4 s ARG 2 CO 0.00 -0.14 -0.03 0.42 -1.08 0.00 0.00 175.30 174.48 1wk4 s ILE 3 N -2.96 3.84 -0.22 4.99 1.09 -1.26 0.31 121.20 126.99 1wk4 s ILE 3 Ca -0.02 -1.08 -0.36 0.00 -1.10 0.00 0.00 60.65 58.09 1wk4 s ILE 3 Cb 0.01 -2.83 0.14 0.00 -1.06 0.00 0.00 42.46 38.73 1wk4 s ILE 3 CO -0.06 0.11 1.25 0.00 -0.10 0.00 0.00 174.94 176.14 1wk4 s ARG 4 N -2.31 0.24 0.84 2.79 1.70 -0.92 -4.96 118.95 116.33 1wk4 s ARG 4 Ca 0.25 -0.08 -0.12 0.00 -0.47 0.00 0.00 55.73 55.31 1wk4 s ARG 4 Cb -0.11 0.11 0.10 0.00 -0.57 0.00 0.00 34.95 34.47 1wk4 s ARG 4 CO 0.17 -0.10 1.16 1.03 -1.08 0.00 0.00 175.30 176.48 1wk4 s ARG 5 N -2.29 1.53 0.06 3.89 1.81 -1.26 -1.58 118.95 121.11 1wk4 s ARG 5 Ca 0.10 1.58 0.05 0.00 -1.72 0.00 0.00 55.73 55.74 1wk4 s ARG 5 Cb -0.01 -1.78 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1wk4 s ARG 5 CO -0.04 -2.26 -0.15 0.00 -0.68 0.00 0.00 175.30 172.18 1wk4 s ALA 6 N -2.46 1.23 0.15 2.13 0.00 -0.94 -4.75 121.76 117.12 1wk4 s ALA 6 Ca 0.69 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1wk4 s ALA 6 Cb -0.24 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1wk4 s ALA 6 CO 0.54 0.22 0.09 0.41 0.00 0.00 0.00 175.76 177.01 1wk4 n GLY 7 N 1.61 3.19 0.27 0.00 0.00 -1.26 -4.89 105.19 104.12 1wk4 n GLY 7 Ca -0.19 -2.22 0.07 0.00 0.00 0.00 0.00 46.02 43.68 1wk4 n GLY 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wk4 h LEU 8 N 0.00 0.13 -1.04 0.99 5.85 -1.96 -0.66 115.31 118.60 1wk4 h LEU 8 Ca -0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wk4 h LEU 8 Cb 0.36 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1wk4 h LEU 8 CO 0.17 0.10 0.00 1.21 -0.34 0.00 0.00 178.44 179.57 1wk4 n GLU 9 N -4.51 0.10 -0.08 1.25 2.13 -1.26 -1.75 120.64 116.51 1wk4 n GLU 9 Ca -0.01 0.60 -0.08 0.00 0.66 0.00 0.00 57.16 58.33 1wk4 n GLU 9 Cb 0.09 -1.83 -0.14 0.00 0.27 0.00 0.00 31.44 29.83 1wk4 n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wk4 n ASP 10 N -2.05 0.74 -0.46 4.31 10.43 -0.27 -4.60 116.55 124.65 1wk4 n ASP 10 Ca -0.01 0.00 0.39 0.00 2.57 0.00 0.00 54.79 57.74 1wk4 n ASP 10 Cb 0.03 0.98 0.71 0.00 1.84 0.00 0.00 41.12 44.67 1wk4 n ASP 10 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1wk4 h LEU 11 N 0.00 0.13 -0.84 0.64 3.38 -1.19 0.76 115.31 118.20 1wk4 h LEU 11 Ca -0.44 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1wk4 h LEU 11 Cb 2.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 1wk4 h LEU 11 CO 0.02 -0.04 0.06 -0.65 0.09 0.00 0.00 178.44 177.93 1wk4 h PRO 12 N 0.08 0.93 -0.01 1.13 0.11 -1.81 -0.78 132.00 131.64 1wk4 h PRO 12 Ca 0.74 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 66.60 1wk4 h PRO 12 Cb 2.64 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 33.63 1wk4 h PRO 12 CO -0.17 0.88 -0.00 0.78 -0.21 0.00 0.00 178.00 179.28 1wk4 h GLY 13 N 1.01 0.02 0.28 -0.55 0.00 0.19 -3.00 103.07 101.02 1wk4 h GLY 13 Ca 0.17 -0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.64 1wk4 h GLY 13 CO 0.01 0.02 0.61 -2.08 0.00 0.00 0.00 176.54 175.10 1wk4 h VAL 14 N -0.36 0.80 -0.21 4.60 2.07 -1.18 -2.18 116.25 119.79 1wk4 h VAL 14 Ca 0.00 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1wk4 h VAL 14 Cb 0.40 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1wk4 h VAL 14 CO 0.00 0.16 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 1wk4 h ALA 15 N 1.60 0.17 0.61 1.67 0.00 -1.00 -0.91 119.26 121.40 1wk4 h ALA 15 Ca 0.54 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 1wk4 h ALA 15 Cb 0.71 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1wk4 h ALA 15 CO -0.33 -0.44 -0.29 0.07 0.00 0.00 0.00 179.25 178.26 1wk4 h ARG 16 N 0.05 -0.79 -0.94 0.00 0.11 -1.31 -1.51 114.38 109.99 1wk4 h ARG 16 Ca 0.10 0.05 0.25 0.00 0.10 0.00 0.00 59.98 60.48 1wk4 h ARG 16 Cb 0.13 0.18 -0.17 0.00 1.11 0.00 0.00 29.97 31.22 1wk4 h ARG 16 CO -0.18 -0.47 0.04 0.28 0.10 0.00 0.00 179.97 179.74 1wk4 h VAL 17 N -1.04 0.10 0.53 0.08 2.07 -1.42 1.66 116.25 118.24 1wk4 h VAL 17 Ca -0.08 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1wk4 h VAL 17 Cb 0.68 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1wk4 h VAL 17 CO 0.14 0.01 -0.25 0.25 0.02 0.00 0.00 177.57 177.73 1wk4 h LEU 18 N 0.05 -0.60 0.16 2.57 5.85 -0.98 -1.99 115.31 120.37 1wk4 h LEU 18 Ca 0.56 0.02 -0.25 0.00 0.84 0.00 0.00 57.88 59.05 1wk4 h LEU 18 Cb 1.13 0.16 0.02 0.00 0.37 0.00 0.00 40.66 42.33 1wk4 h LEU 18 CO -0.85 -0.42 -1.14 0.58 -0.34 0.00 0.00 178.44 176.26 1wk4 h VAL 19 N -0.72 1.32 -0.49 1.05 2.07 0.12 -0.82 116.25 118.78 1wk4 h VAL 19 Ca -0.07 -2.54 0.07 0.00 0.82 0.00 0.00 66.70 64.98 1wk4 h VAL 19 Cb 0.55 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 33.30 1wk4 h VAL 19 CO 0.12 0.74 0.15 0.44 0.02 0.00 0.00 177.57 179.04 1wk4 h ASP 20 N -0.22 0.12 0.37 0.57 3.32 0.22 -0.81 116.42 119.98 1wk4 h ASP 20 Ca -0.22 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1wk4 h ASP 20 Cb 1.81 0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.43 1wk4 h ASP 20 CO 0.16 0.09 -0.18 0.74 -1.72 0.00 0.00 179.24 178.33 1wk4 h THR 21 N 0.31 0.56 -0.98 0.35 2.02 -1.45 -2.77 112.91 110.96 1wk4 h THR 21 Ca 0.24 -0.56 0.27 0.00 0.77 0.00 0.00 66.41 67.13 1wk4 h THR 21 Cb 0.28 0.81 -0.18 0.00 -1.74 0.00 0.00 68.15 67.32 1wk4 h THR 21 CO -0.27 0.09 0.05 -0.25 0.37 0.00 0.00 175.52 175.51 1wk4 h TRP 22 N -0.85 -0.02 0.08 3.16 7.01 -0.77 0.30 115.95 124.87 1wk4 h TRP 22 Ca -0.05 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 1wk4 h TRP 22 Cb 0.54 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.76 1wk4 h TRP 22 CO 0.02 -0.42 -0.04 0.00 -2.79 0.00 0.00 178.44 175.21 1wk4 h ARG 23 N 0.02 -0.10 -0.09 2.65 3.08 -1.16 -2.33 114.38 116.45 1wk4 h ARG 23 Ca 0.60 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.68 1wk4 h ARG 23 Cb 1.23 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wk4 h ARG 23 CO -0.90 0.22 0.24 0.00 -1.07 0.00 0.00 179.97 178.46 1wk4 h ALA 24 N 0.46 1.48 0.02 0.04 0.00 -0.70 -3.04 119.26 117.53 1wk4 h ALA 24 Ca -0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1wk4 h ALA 24 Cb 0.37 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1wk4 h ALA 24 CO 0.02 -0.29 -1.84 2.41 0.00 0.00 0.00 179.25 179.55 1wk4 n THR 25 N -3.26 1.57 -0.89 0.00 -1.04 -0.48 -4.64 114.28 105.55 1wk4 n THR 25 Ca -0.00 -0.28 0.08 0.00 -2.04 0.00 0.00 64.05 61.80 1wk4 n THR 25 Cb 0.33 -1.89 0.36 0.00 -1.82 0.00 0.00 70.33 67.30 1wk4 n THR 25 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1wk4 n TYR 26 N -4.12 1.67 -2.18 -1.42 4.02 -0.90 -4.89 117.16 109.35 1wk4 n TYR 26 Ca -0.39 -0.76 -0.42 0.00 -0.01 0.00 0.00 57.90 56.32 1wk4 n TYR 26 Cb 0.83 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 1wk4 n TYR 26 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1wk4 s ARG 27 N -2.67 3.24 0.00 -0.72 3.52 -1.15 -0.13 118.95 121.03 1wk4 s ARG 27 Ca 0.50 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1wk4 s ARG 27 Cb 0.38 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1wk4 s ARG 27 CO 0.15 -1.99 0.00 0.41 -0.81 0.00 0.00 175.30 173.06 1wk4 n GLY 28 N 5.36 0.78 0.13 8.12 0.00 -1.26 -4.87 105.19 113.46 1wk4 n GLY 28 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1wk4 n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wk4 n VAL 29 N 0.00 1.59 -4.05 1.61 0.31 -0.55 -4.91 118.33 112.33 1wk4 n VAL 29 Ca 0.00 -0.38 -0.35 0.00 -0.01 0.00 0.00 64.34 63.59 1wk4 n VAL 29 Cb 0.00 -1.80 -0.08 0.00 -0.91 0.00 0.00 33.84 31.04 1wk4 n VAL 29 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wk4 s VAL 30 N -2.48 4.92 -0.09 2.52 1.01 0.81 -5.05 120.40 122.04 1wk4 s VAL 30 Ca -0.31 -0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.34 1wk4 s VAL 30 Cb 0.09 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1wk4 s VAL 30 CO 0.61 0.54 1.97 -2.65 0.00 0.00 0.00 175.10 175.57 1wk4 n PRO 31 N 2.72 2.25 -0.37 2.72 -0.02 -1.26 -4.67 135.00 136.37 1wk4 n PRO 31 Ca -0.18 0.80 0.32 0.00 -2.02 0.00 0.00 63.50 62.42 1wk4 n PRO 31 Cb 0.53 -2.79 0.56 0.00 -0.02 0.00 0.00 33.50 31.79 1wk4 n PRO 31 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1wk4 n GLU 32 N 7.22 -0.04 -0.01 -0.52 4.07 -1.26 -1.88 120.64 128.23 1wk4 n GLU 32 Ca 0.24 1.10 -0.01 0.00 -0.06 0.00 0.00 57.16 58.43 1wk4 n GLU 32 Cb 0.33 -2.11 -0.01 0.00 -0.06 0.00 0.00 31.44 29.59 1wk4 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wk4 h ALA 33 N 1.46 -0.42 -0.80 4.31 0.00 -1.92 0.31 119.26 122.20 1wk4 h ALA 33 Ca 0.75 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.84 1wk4 h ALA 33 Cb 2.29 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 20.61 1wk4 h ALA 33 CO -0.47 -0.44 0.12 0.35 0.00 0.00 0.00 179.25 178.81 1wk4 h PHE 34 N -0.05 0.16 -0.01 0.00 3.57 -1.62 1.04 116.94 120.04 1wk4 h PHE 34 Ca 0.00 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1wk4 h PHE 34 Cb 0.06 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1wk4 h PHE 34 CO -0.51 -0.20 -0.12 1.25 -2.23 0.00 0.00 178.31 176.50 1wk4 h LEU 35 N 0.17 -0.36 -0.42 0.59 5.85 -1.31 0.18 115.31 120.01 1wk4 h LEU 35 Ca 0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.24 1wk4 h LEU 35 Cb 0.86 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1wk4 h LEU 35 CO -0.63 -0.17 0.00 -0.33 -0.34 0.00 0.00 178.44 176.96 1wk4 h GLU 36 N -0.20 0.00 -1.32 1.25 5.08 0.98 -3.11 114.58 117.26 1wk4 h GLU 36 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wk4 h GLU 36 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wk4 h GLU 36 CO -0.13 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.29 1wk4 n GLY 37 N 0.65 1.03 3.44 -3.84 0.00 0.35 -4.68 105.19 102.13 1wk4 n GLY 37 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1wk4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wk4 s LEU 38 N 0.00 2.39 -0.29 0.99 1.43 -1.18 -4.97 118.68 117.05 1wk4 s LEU 38 Ca 0.00 -1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 51.70 1wk4 s LEU 38 Cb 0.00 -0.54 0.11 0.00 0.03 0.00 0.00 46.19 45.79 1wk4 s LEU 38 CO 0.00 -0.44 0.74 -0.94 0.23 0.00 0.00 176.35 175.93 1wk4 s SER 39 N -3.46 -0.93 0.24 2.29 1.04 -1.26 -5.06 113.70 106.56 1wk4 s SER 39 Ca 0.32 1.39 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 1wk4 s SER 39 Cb 0.06 1.72 0.42 0.00 0.10 0.00 0.00 66.02 68.32 1wk4 s SER 39 CO 0.13 -0.21 1.34 -1.22 0.98 0.00 0.00 173.24 174.27 1wk4 n TYR 40 N 4.71 0.33 0.06 5.02 4.02 -1.26 -1.28 117.16 128.77 1wk4 n TYR 40 Ca -0.16 1.05 -0.10 0.00 -0.01 0.00 0.00 57.90 58.68 1wk4 n TYR 40 Cb 0.55 -1.01 0.01 0.00 -0.02 0.00 0.00 39.34 38.86 1wk4 n TYR 40 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1wk4 h GLU 41 N 0.00 0.35 0.00 -0.72 4.39 -1.95 -0.02 114.58 116.63 1wk4 h GLU 41 Ca 0.42 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1wk4 h GLU 41 Cb 0.67 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1wk4 h GLU 41 CO -0.88 0.99 -0.02 0.78 -1.16 0.00 0.00 179.01 178.72 1wk4 h GLY 42 N 1.41 0.00 0.50 -3.84 0.00 -1.60 0.23 103.07 99.77 1wk4 h GLY 42 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.92 1wk4 h GLY 42 CO 0.14 0.00 -2.08 -0.18 0.00 0.00 0.00 176.54 174.41 1wk4 n GLN 43 N -3.15 0.71 0.10 4.80 -0.06 -0.99 -3.14 117.38 115.65 1wk4 n GLN 43 Ca -0.01 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.22 1wk4 n GLN 43 Cb 0.22 -1.67 0.31 0.00 -4.06 0.00 0.00 30.24 25.05 1wk4 n GLN 43 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1wk4 h ALA 44 N 0.25 1.33 0.12 1.69 0.00 -0.58 -1.90 119.26 120.16 1wk4 h ALA 44 Ca -0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1wk4 h ALA 44 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1wk4 h ALA 44 CO 0.05 0.46 -0.06 0.93 0.00 0.00 0.00 179.25 180.62 1wk4 h GLU 45 N 0.24 -0.16 -0.37 0.00 5.08 -0.68 -1.58 114.58 117.11 1wk4 h GLU 45 Ca 0.04 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1wk4 h GLU 45 Cb 0.55 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 1wk4 h GLU 45 CO 0.04 0.12 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.00 1wk4 h ARG 46 N -0.44 0.01 0.00 2.33 2.43 -1.43 -1.20 114.38 116.08 1wk4 h ARG 46 Ca -0.02 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1wk4 h ARG 46 Cb 0.36 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1wk4 h ARG 46 CO 0.03 0.00 -0.24 -1.49 -1.51 0.00 0.00 179.97 176.76 1wk4 h TRP 47 N 0.01 0.00 0.78 2.20 4.06 -1.33 -3.19 115.95 118.48 1wk4 h TRP 47 Ca 0.18 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 1wk4 h TRP 47 Cb 0.27 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1wk4 h TRP 47 CO -0.33 0.24 -0.37 0.00 -3.56 0.00 0.00 178.44 174.41 1wk4 h ALA 48 N 1.76 -1.05 -1.02 1.49 0.00 -0.17 -2.61 119.26 117.67 1wk4 h ALA 48 Ca -0.00 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 54.94 1wk4 h ALA 48 Cb 0.57 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 1wk4 h ALA 48 CO 0.03 -1.08 0.61 1.96 0.00 0.00 0.00 179.25 180.77 1wk4 h GLN 49 N -1.05 0.50 0.23 0.00 4.20 -1.50 -2.41 115.11 115.08 1wk4 h GLN 49 Ca -0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1wk4 h GLN 49 Cb 0.80 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1wk4 h GLN 49 CO 0.18 0.33 -0.31 0.00 -0.67 0.00 0.00 178.83 178.36 1wk4 h ARG 50 N 0.52 -0.54 -0.02 1.46 3.08 -1.49 -0.91 114.38 116.49 1wk4 h ARG 50 Ca 0.65 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.74 1wk4 h ARG 50 Cb 1.34 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 1wk4 h ARG 50 CO -0.45 -0.36 0.05 -0.07 -1.07 0.00 0.00 179.97 178.07 1wk4 h LEU 51 N -0.56 0.00 -0.06 3.04 3.38 -1.26 -2.22 115.31 117.64 1wk4 h LEU 51 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1wk4 h LEU 51 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1wk4 h LEU 51 CO -0.08 0.00 -0.49 0.11 0.09 0.00 0.00 178.44 178.07 1wk4 h LYS 52 N 0.00 0.43 -6.37 1.13 1.57 -0.99 -3.42 116.57 108.92 1wk4 h LYS 52 Ca 0.01 -0.39 -0.57 0.00 -1.87 0.00 0.00 60.65 57.83 1wk4 h LYS 52 Cb 0.11 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1wk4 h LYS 52 CO -0.00 1.04 1.17 0.99 -0.57 0.00 0.00 179.45 182.08 1wk4 s THR 53 N -3.49 3.68 0.32 -0.16 2.01 -0.40 -4.88 115.64 112.72 1wk4 s THR 53 Ca -0.13 0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1wk4 s THR 53 Cb 0.04 -3.87 0.28 0.00 0.01 0.00 0.00 72.50 68.97 1wk4 s THR 53 CO 0.81 -0.52 1.93 -0.65 -0.69 0.00 0.00 174.62 175.50 1wk4 h PRO 54 N 11.66 0.91 -1.99 4.92 0.11 -1.83 -3.00 132.00 142.79 1wk4 h PRO 54 Ca -0.31 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 1wk4 h PRO 54 Cb 1.14 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 1wk4 h PRO 54 CO 1.05 0.60 -0.24 0.25 -0.21 0.00 0.00 178.00 179.45 1wk4 n THR 55 N -4.48 2.73 -4.00 -1.15 -2.24 -1.26 -4.83 114.28 99.04 1wk4 n THR 55 Ca 0.13 -1.27 -0.34 0.00 -2.27 0.00 0.00 64.05 60.29 1wk4 n THR 55 Cb 0.20 -1.84 -0.15 0.00 -2.10 0.00 0.00 70.33 66.45 1wk4 n THR 55 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1wk4 s TRP 56 N 0.59 2.95 0.55 4.78 -0.00 -1.14 -4.99 118.94 121.68 1wk4 s TRP 56 Ca 0.48 -1.44 0.32 0.00 -0.00 0.00 0.00 56.10 55.46 1wk4 s TRP 56 Cb 0.23 -2.02 1.84 0.00 -0.00 0.00 0.00 33.47 33.52 1wk4 s TRP 56 CO -0.01 -0.71 2.23 -1.35 -0.00 0.00 0.00 176.95 177.11 1wk4 h PRO 57 N 8.01 0.00 -7.03 5.86 0.11 -1.92 -3.45 132.00 133.57 1wk4 h PRO 57 Ca -0.39 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.18 1wk4 h PRO 57 Cb 1.13 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.35 1wk4 h PRO 57 CO 0.60 0.03 0.56 0.20 -0.21 0.00 0.00 178.00 179.18 1wk4 s GLY 58 N -4.14 2.85 -0.17 -0.55 0.00 -1.26 -4.60 107.32 99.45 1wk4 s GLY 58 Ca -0.04 1.19 -0.00 0.00 0.00 0.00 0.00 44.72 45.87 1wk4 s GLY 58 CO 0.53 1.69 -0.06 0.50 0.00 0.00 0.00 173.10 175.76 1wk4 s ARG 59 N -2.85 1.53 -0.18 2.90 3.00 -1.07 -4.99 118.95 117.28 1wk4 s ARG 59 Ca 0.69 -0.55 -0.05 0.00 0.00 0.00 0.00 55.73 55.82 1wk4 s ARG 59 Cb -0.36 -2.05 -0.03 0.00 0.00 0.00 0.00 34.95 32.51 1wk4 s ARG 59 CO 0.43 -0.42 0.01 -1.17 0.00 0.00 0.00 175.30 174.14 1wk4 s LEU 60 N 1.60 3.43 0.52 2.53 0.20 -1.26 -1.48 118.68 124.22 1wk4 s LEU 60 Ca 0.01 -0.09 0.05 0.00 0.69 0.00 0.00 54.13 54.79 1wk4 s LEU 60 Cb -0.15 -1.85 0.02 0.00 -0.43 0.00 0.00 46.19 43.77 1wk4 s LEU 60 CO -0.08 0.13 0.30 -0.36 -0.29 0.00 0.00 176.35 176.06 1wk4 s PHE 61 N 0.60 1.83 -0.15 5.38 0.40 0.72 -2.22 117.98 124.55 1wk4 s PHE 61 Ca -0.00 -0.82 -0.29 0.00 -0.60 0.00 0.00 56.93 55.22 1wk4 s PHE 61 Cb -0.14 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.60 1wk4 s PHE 61 CO 0.02 -0.25 0.78 0.54 0.70 0.00 0.00 175.22 177.00 1wk4 s VAL 62 N -2.76 0.00 -0.45 -0.44 0.11 -0.62 -2.79 120.40 113.45 1wk4 s VAL 62 Ca 0.30 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.20 1wk4 s VAL 62 Cb -0.01 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1wk4 s VAL 62 CO 0.18 0.00 0.37 0.00 -3.33 0.00 0.00 175.10 172.32 1wk4 s ALA 63 N -0.63 3.52 -0.29 1.54 0.00 0.27 -2.16 121.76 124.01 1wk4 s ALA 63 Ca -0.05 -1.95 -0.13 0.00 0.00 0.00 0.00 51.96 49.83 1wk4 s ALA 63 Cb -0.02 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1wk4 s ALA 63 CO 0.05 -1.64 0.26 -2.00 0.00 0.00 0.00 175.76 172.42 1wk4 s GLU 64 N 1.70 3.88 1.22 0.00 2.12 0.15 -1.22 118.70 126.55 1wk4 s GLU 64 Ca 0.05 -0.27 -0.16 0.00 0.36 0.00 0.00 54.97 54.95 1wk4 s GLU 64 Cb -0.22 -3.69 0.30 0.00 0.26 0.00 0.00 34.13 30.78 1wk4 s GLU 64 CO 0.08 -0.27 1.02 -1.54 -0.54 0.00 0.00 175.26 174.01 1wk4 s SER 65 N 1.72 0.59 0.27 -1.70 1.04 0.22 -0.79 113.70 115.05 1wk4 s SER 65 Ca 0.09 1.19 0.12 0.00 0.48 0.00 0.00 55.95 57.83 1wk4 s SER 65 Cb -0.16 -1.82 0.30 0.00 0.10 0.00 0.00 66.02 64.44 1wk4 s SER 65 CO 0.11 -4.39 1.56 -0.08 0.98 0.00 0.00 173.24 171.42 1wk4 h GLU 66 N -2.76 0.00 0.00 4.02 4.81 -1.92 -2.25 114.58 116.48 1wk4 h GLU 66 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1wk4 h GLU 66 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1wk4 h GLU 66 CO 0.45 0.63 0.00 0.66 -0.73 0.00 0.00 179.01 180.02 1wk4 h SER 67 N 0.00 0.00 0.00 1.04 4.64 -2.04 -3.46 113.55 113.73 1wk4 h SER 67 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1wk4 h SER 67 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wk4 h SER 67 CO 0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1wk4 n GLY 68 N -0.12 0.97 3.82 -0.77 0.00 -0.85 -5.09 105.19 103.16 1wk4 n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1wk4 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wk4 s GLU 69 N -0.92 4.19 -0.71 1.61 2.12 -1.26 -4.76 118.70 118.98 1wk4 s GLU 69 Ca 0.00 0.78 -0.23 0.00 0.36 0.00 0.00 54.97 55.88 1wk4 s GLU 69 Cb 0.00 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.55 1wk4 s GLU 69 CO 0.00 0.43 1.05 0.08 -0.54 0.00 0.00 175.26 176.27 1wk4 s VAL 70 N -1.49 4.25 -2.64 3.70 1.01 -1.26 0.71 120.40 124.67 1wk4 s VAL 70 Ca 0.41 -0.36 0.25 0.00 0.00 0.00 0.00 61.98 62.28 1wk4 s VAL 70 Cb -0.16 -4.75 0.40 0.00 0.00 0.00 0.00 36.38 31.87 1wk4 s VAL 70 CO 0.21 -1.55 1.51 1.33 0.00 0.00 0.00 175.10 176.60 1wk4 n VAL 71 N 6.00 0.08 0.00 2.92 0.24 -0.36 -4.80 118.33 122.41 1wk4 n VAL 71 Ca 0.01 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1wk4 n VAL 71 Cb 0.46 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 1wk4 n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wk4 n GLY 72 N 1.26 1.16 3.42 7.63 0.00 -1.21 -0.74 105.19 116.71 1wk4 n GLY 72 Ca 0.17 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1wk4 n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wk4 s PHE 73 N -2.00 -0.18 0.01 1.61 -0.12 0.36 0.94 117.98 118.59 1wk4 s PHE 73 Ca 0.00 -0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 1wk4 s PHE 73 Cb 0.00 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1wk4 s PHE 73 CO 0.00 -0.81 0.04 0.00 -0.05 0.00 0.00 175.22 174.40 1wk4 s ALA 74 N -3.83 -0.08 -0.08 1.99 0.00 -1.12 -0.19 121.76 118.45 1wk4 s ALA 74 Ca 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1wk4 s ALA 74 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1wk4 s ALA 74 CO -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 175.76 175.49 1wk4 s ALA 75 N -1.18 0.91 0.26 0.00 0.00 0.16 -0.20 121.76 121.72 1wk4 s ALA 75 Ca -0.13 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1wk4 s ALA 75 Cb -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1wk4 s ALA 75 CO 0.00 -0.30 0.15 1.19 0.00 0.00 0.00 175.76 176.81 1wk4 n PHE 76 N 4.72 -0.71 0.00 0.00 3.01 -0.55 0.15 117.46 124.09 1wk4 n PHE 76 Ca -0.14 -1.14 0.00 0.00 1.01 0.00 0.00 57.45 57.17 1wk4 n PHE 76 Cb 0.50 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1wk4 n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wk4 n GLY 77 N 1.86 1.62 3.46 1.37 0.00 -0.97 -2.61 105.19 109.92 1wk4 n GLY 77 Ca -0.03 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1wk4 n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wk4 n PRO 78 N -1.96 0.62 -1.91 1.61 -0.02 -1.26 0.11 135.00 132.18 1wk4 n PRO 78 Ca 0.00 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1wk4 n PRO 78 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1wk4 n PRO 78 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1wk4 s ASP 79 N -0.94 6.59 -1.43 2.55 2.15 0.18 -4.21 116.67 121.55 1wk4 s ASP 79 Ca 0.63 2.51 -0.12 0.00 0.43 0.00 0.00 52.55 56.00 1wk4 s ASP 79 Cb -0.60 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 39.52 1wk4 s ASP 79 CO 0.58 -0.90 2.21 0.54 -0.17 0.00 0.00 175.17 177.43 1wk4 n ARG 80 N 5.57 3.13 -3.96 4.34 1.74 -1.26 -4.64 116.66 121.57 1wk4 n ARG 80 Ca 0.16 -2.80 -0.39 0.00 -0.77 0.00 0.00 57.85 54.05 1wk4 n ARG 80 Cb 0.40 -3.16 0.02 0.00 -1.02 0.00 0.00 32.46 28.70 1wk4 n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wk4 n ALA 81 N 5.30 -2.67 0.31 7.54 0.00 -1.26 -4.87 120.51 124.86 1wk4 n ALA 81 Ca 0.52 -0.47 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1wk4 n ALA 81 Cb 0.37 -2.09 0.14 0.00 0.00 0.00 0.00 19.45 17.87 1wk4 n ALA 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wk4 h SER 82 N -1.85 0.00 -0.43 0.00 0.02 -1.93 -3.48 113.55 105.87 1wk4 h SER 82 Ca -0.68 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1wk4 h SER 82 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1wk4 h SER 82 CO 0.47 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 1wk4 n GLY 83 N 1.21 0.94 2.87 -3.77 0.00 -1.26 -5.08 105.19 100.09 1wk4 n GLY 83 Ca 0.03 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1wk4 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wk4 s PHE 84 N -2.43 1.60 0.30 1.61 0.40 -1.26 -5.12 117.98 113.08 1wk4 s PHE 84 Ca 0.00 -1.04 -0.30 0.00 -0.60 0.00 0.00 56.93 54.99 1wk4 s PHE 84 Cb 0.00 -1.27 -0.11 0.00 0.51 0.00 0.00 43.02 42.15 1wk4 s PHE 84 CO 0.00 -0.61 1.53 -2.14 0.70 0.00 0.00 175.22 174.70 1wk4 s PRO 85 N 1.67 4.16 0.00 0.24 0.02 -1.26 -2.41 135.00 137.41 1wk4 s PRO 85 Ca 0.00 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1wk4 s PRO 85 Cb -0.15 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1wk4 s PRO 85 CO -0.07 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 1wk4 n GLY 86 N 1.78 2.93 3.51 0.52 0.00 -1.26 -5.01 105.19 107.66 1wk4 n GLY 86 Ca 0.06 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1wk4 n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk4 s TYR 87 N -2.06 3.21 -0.12 1.61 1.51 -1.01 -4.23 117.35 116.26 1wk4 s TYR 87 Ca 0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1wk4 s TYR 87 Cb 0.00 -2.67 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 1wk4 s TYR 87 CO 0.00 -0.52 0.13 0.25 -1.11 0.00 0.00 175.55 174.30 1wk4 n THR 88 N 5.24 0.00 -4.29 -0.71 -2.24 -1.17 -4.73 114.28 106.39 1wk4 n THR 88 Ca -0.10 -0.45 -0.26 0.00 -2.27 0.00 0.00 64.05 60.97 1wk4 n THR 88 Cb 0.48 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.63 1wk4 n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wk4 s ALA 89 N -1.12 3.00 0.03 6.98 0.00 -1.12 0.48 121.76 130.00 1wk4 s ALA 89 Ca 0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 1wk4 s ALA 89 Cb 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1wk4 s ALA 89 CO 0.08 0.43 0.06 -2.00 0.00 0.00 0.00 175.76 174.34 1wk4 s GLU 90 N -2.98 0.52 -0.47 0.00 2.12 0.12 -1.59 118.70 116.41 1wk4 s GLU 90 Ca 0.26 -0.73 -0.13 0.00 0.36 0.00 0.00 54.97 54.74 1wk4 s GLU 90 Cb -0.08 0.20 0.09 0.00 0.26 0.00 0.00 34.13 34.60 1wk4 s GLU 90 CO 0.16 -0.12 0.37 -1.17 -0.54 0.00 0.00 175.26 173.96 1wk4 s LEU 91 N -1.97 5.62 0.15 2.70 0.20 -0.70 -2.28 118.68 122.40 1wk4 s LEU 91 Ca -0.07 -1.57 -0.12 0.00 0.69 0.00 0.00 54.13 53.06 1wk4 s LEU 91 Cb -0.03 -2.10 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1wk4 s LEU 91 CO -0.04 -0.67 1.60 -0.50 -0.29 0.00 0.00 176.35 176.46 1wk4 h TRP 92 N 8.63 0.99 -1.35 5.38 4.06 -0.59 -3.41 115.95 129.66 1wk4 h TRP 92 Ca -0.26 -0.17 0.14 0.00 2.06 0.00 0.00 58.89 60.66 1wk4 h TRP 92 Cb 1.09 -0.26 -0.26 0.00 -1.00 0.00 0.00 29.16 28.74 1wk4 h TRP 92 CO 0.65 0.92 0.70 0.00 -3.56 0.00 0.00 178.44 177.15 1wk4 s ALA 93 N -5.00 -2.02 -0.17 1.49 0.00 -1.04 -4.97 121.76 110.05 1wk4 s ALA 93 Ca -0.12 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.51 1wk4 s ALA 93 Cb 0.12 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 22.18 1wk4 s ALA 93 CO 0.83 -0.26 0.34 -1.50 0.00 0.00 0.00 175.76 175.17 1wk4 s ILE 94 N -0.87 -0.54 0.06 0.00 2.07 -1.26 0.38 121.20 121.04 1wk4 s ILE 94 Ca 0.03 0.21 0.04 0.00 -1.41 0.00 0.00 60.65 59.52 1wk4 s ILE 94 Cb -0.01 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1wk4 s ILE 94 CO -0.04 0.08 -0.12 -0.31 -1.91 0.00 0.00 174.94 172.65 1wk4 s TYR 95 N 2.52 0.99 -0.01 3.50 1.51 0.74 -4.99 117.35 121.62 1wk4 s TYR 95 Ca 0.00 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1wk4 s TYR 95 Cb -0.12 -0.57 0.01 0.00 -0.11 0.00 0.00 41.96 41.16 1wk4 s TYR 95 CO -0.11 -0.00 -0.03 0.08 -1.11 0.00 0.00 175.55 174.38 1wk4 s VAL 96 N -1.32 0.25 0.07 0.71 1.01 -1.26 -0.49 120.40 119.37 1wk4 s VAL 96 Ca -0.05 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1wk4 s VAL 96 Cb -0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 1wk4 s VAL 96 CO 0.02 0.09 1.51 -0.76 0.00 0.00 0.00 175.10 175.96 1wk4 s LEU 97 N 0.20 4.35 0.11 3.92 1.43 0.08 -4.85 118.68 123.93 1wk4 s LEU 97 Ca -0.02 2.35 -0.19 0.00 -1.03 0.00 0.00 54.13 55.24 1wk4 s LEU 97 Cb -0.05 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1wk4 s LEU 97 CO -0.00 -0.78 1.00 -2.65 0.23 0.00 0.00 176.35 174.15 1wk4 n PRO 98 N 5.01 -0.26 -0.11 1.29 -0.02 -1.26 0.28 135.00 139.93 1wk4 n PRO 98 Ca 0.14 0.98 0.27 0.00 -2.02 0.00 0.00 63.50 62.87 1wk4 n PRO 98 Cb 0.42 -1.44 0.70 0.00 -0.02 0.00 0.00 33.50 33.15 1wk4 n PRO 98 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1wk4 h THR 99 N 0.00 0.36 -0.54 3.45 2.02 -1.98 -0.75 112.91 115.47 1wk4 h THR 99 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1wk4 h THR 99 Cb 0.29 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1wk4 h THR 99 CO -0.61 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.07 1wk4 n TRP 100 N -3.87 1.04 -2.14 3.16 7.02 0.80 -5.01 117.44 118.44 1wk4 n TRP 100 Ca 0.16 -0.59 -0.27 0.00 -1.02 0.00 0.00 57.50 55.78 1wk4 n TRP 100 Cb 0.97 -0.14 0.06 0.00 -2.42 0.00 0.00 31.31 29.78 1wk4 n TRP 100 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1wk4 s GLN 101 N -1.55 2.43 -1.22 -0.99 -0.21 -0.29 -4.20 119.66 113.62 1wk4 s GLN 101 Ca 0.42 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.79 1wk4 s GLN 101 Cb 0.26 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 32.14 1wk4 s GLN 101 CO 0.22 -1.14 0.00 0.54 -2.12 0.00 0.00 175.29 172.79 1wk4 n ARG 102 N -2.93 -1.12 -0.17 2.91 1.74 -1.26 -4.87 116.66 110.97 1wk4 n ARG 102 Ca 0.07 0.70 0.05 0.00 -0.77 0.00 0.00 57.85 57.90 1wk4 n ARG 102 Cb 0.59 -4.98 0.07 0.00 -1.02 0.00 0.00 32.46 27.13 1wk4 n ARG 102 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wk4 n LYS 103 N -2.37 1.11 -2.39 5.56 5.02 -1.26 -5.00 118.16 118.83 1wk4 n LYS 103 Ca -0.17 -1.87 -0.20 0.00 -2.02 0.00 0.00 58.31 54.05 1wk4 n LYS 103 Cb 0.62 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.52 1wk4 n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wk4 n GLY 104 N -0.83 -0.48 0.11 0.72 0.00 -1.26 -4.88 105.19 98.56 1wk4 n GLY 104 Ca 0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1wk4 n GLY 104 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wk4 h LEU 105 N -0.01 0.43 0.33 0.99 4.07 -1.95 -2.94 115.31 116.24 1wk4 h LEU 105 Ca -0.49 -0.48 -0.00 0.00 0.08 0.00 0.00 57.88 56.99 1wk4 h LEU 105 Cb 1.36 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 1wk4 h LEU 105 CO 0.57 1.38 -0.46 1.23 -1.08 0.00 0.00 178.44 180.08 1wk4 h GLY 106 N 1.57 -1.20 0.60 0.83 0.00 -1.94 0.51 103.07 103.44 1wk4 h GLY 106 Ca -0.15 0.59 0.16 0.00 0.00 0.00 0.00 47.33 47.93 1wk4 h GLY 106 CO 0.20 -0.34 0.52 0.07 0.00 0.00 0.00 176.54 177.00 1wk4 h ARG 107 N -0.83 0.40 -0.35 4.80 0.11 -1.97 0.13 114.38 116.67 1wk4 h ARG 107 Ca -0.04 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 59.86 1wk4 h ARG 107 Cb 0.75 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.74 1wk4 h ARG 107 CO -0.13 0.26 -0.39 0.00 0.10 0.00 0.00 179.97 179.82 1wk4 h ALA 108 N 1.64 0.52 -0.62 0.08 0.00 -1.19 0.49 119.26 120.18 1wk4 h ALA 108 Ca 0.39 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1wk4 h ALA 108 Cb 0.92 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1wk4 h ALA 108 CO -0.13 0.63 0.17 -0.07 0.00 0.00 0.00 179.25 179.85 1wk4 h LEU 109 N 0.69 0.93 0.65 0.00 3.38 0.76 -2.13 115.31 119.59 1wk4 h LEU 109 Ca 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1wk4 h LEU 109 Cb 0.98 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1wk4 h LEU 109 CO 0.09 0.90 -0.31 0.15 0.09 0.00 0.00 178.44 179.36 1wk4 h PHE 110 N 0.90 -0.81 -0.65 1.13 3.57 -0.61 -2.80 116.94 117.66 1wk4 h PHE 110 Ca 0.20 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.87 1wk4 h PHE 110 Cb 0.33 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1wk4 h PHE 110 CO 0.02 -0.51 0.77 1.25 -2.23 0.00 0.00 178.31 177.61 1wk4 h HIS 111 N -0.99 0.00 0.14 0.41 2.76 0.01 -1.33 115.15 116.16 1wk4 h HIS 111 Ca -0.09 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.74 1wk4 h HIS 111 Cb 0.67 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1wk4 h HIS 111 CO 0.05 0.00 -1.78 0.93 -1.30 0.00 0.00 177.93 175.83 1wk4 h GLU 112 N 0.00 0.30 0.00 5.26 4.39 -1.25 -2.88 114.58 120.40 1wk4 h GLU 112 Ca 0.31 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1wk4 h GLU 112 Cb 1.84 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1wk4 h GLU 112 CO -0.00 1.19 0.00 0.78 -1.16 0.00 0.00 179.01 179.82 1wk4 h GLY 113 N 1.19 0.00 0.04 -3.84 0.00 -1.02 -2.23 103.07 97.21 1wk4 h GLY 113 Ca -0.35 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1wk4 h GLY 113 CO 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.67 1wk4 h ALA 114 N 2.32 -0.02 -0.08 3.60 0.00 -1.42 -1.43 119.26 122.23 1wk4 h ALA 114 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1wk4 h ALA 114 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wk4 h ALA 114 CO 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.37 1wk4 h ARG 115 N -0.99 0.00 0.02 0.00 3.08 -1.45 0.38 114.38 115.43 1wk4 h ARG 115 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1wk4 h ARG 115 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1wk4 h ARG 115 CO 0.00 0.00 -0.91 1.25 -1.07 0.00 0.00 179.97 179.25 1wk4 h LEU 116 N 0.00 0.07 -0.44 3.04 5.85 -1.43 -2.82 115.31 119.58 1wk4 h LEU 116 Ca 0.04 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 58.03 1wk4 h LEU 116 Cb 0.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1wk4 h LEU 116 CO -0.00 1.37 0.26 -0.07 -0.34 0.00 0.00 178.44 179.66 1wk4 h LEU 117 N -0.87 0.54 -1.72 2.25 3.38 -0.80 0.33 115.31 118.43 1wk4 h LEU 117 Ca -0.24 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1wk4 h LEU 117 Cb 1.30 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1wk4 h LEU 117 CO -0.10 0.45 0.25 0.06 0.09 0.00 0.00 178.44 179.20 1wk4 h GLN 118 N 0.59 0.34 0.13 1.13 -0.00 -0.40 -1.39 115.11 115.50 1wk4 h GLN 118 Ca 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1wk4 h GLN 118 Cb 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.42 1wk4 h GLN 118 CO -0.03 0.23 -0.06 0.00 -0.00 0.00 0.00 178.83 178.97 1wk4 h ALA 119 N 1.79 -0.17 0.00 0.06 0.00 -0.90 -3.01 119.26 117.03 1wk4 h ALA 119 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wk4 h ALA 119 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wk4 h ALA 119 CO -0.04 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.30 1wk4 n GLU 120 N -4.91 0.00 -0.76 0.00 1.02 0.10 -4.68 120.64 111.41 1wk4 n GLU 120 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1wk4 n GLU 120 Cb 0.27 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1wk4 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wk4 n GLY 121 N -0.79 0.69 3.84 0.62 0.00 -1.02 -5.06 105.19 103.46 1wk4 n GLY 121 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1wk4 n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk4 s TYR 122 N -2.00 3.47 -0.11 1.61 2.02 -0.62 -5.00 117.35 116.71 1wk4 s TYR 122 Ca 0.00 1.28 -0.16 0.00 -0.37 0.00 0.00 57.07 57.82 1wk4 s TYR 122 Cb 0.00 -2.57 -0.26 0.00 -0.40 0.00 0.00 41.96 38.73 1wk4 s TYR 122 CO 0.00 0.18 0.53 0.78 -1.57 0.00 0.00 175.55 175.46 1wk4 h GLY 123 N 2.66 0.25 0.00 0.71 0.00 -1.88 -3.41 103.07 101.39 1wk4 h GLY 123 Ca -0.48 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1wk4 h GLY 123 CO 0.65 0.55 0.00 -0.96 0.00 0.00 0.00 176.54 176.78 1wk4 n ARG 124 N -3.97 0.00 -3.69 4.80 1.85 -1.26 -2.00 116.66 112.40 1wk4 n ARG 124 Ca -0.25 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.50 1wk4 n ARG 124 Cb 0.87 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.24 1wk4 n ARG 124 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1wk4 s LEU 126 N 0.00 0.29 -0.08 2.89 2.34 -0.62 -2.80 118.68 120.70 1wk4 s LEU 126 Ca 0.00 -0.41 -0.04 0.00 0.06 0.00 0.00 54.13 53.74 1wk4 s LEU 126 Cb 0.00 1.93 0.03 0.00 -0.56 0.00 0.00 46.19 47.59 1wk4 s LEU 126 CO 0.00 -0.93 0.18 0.54 -1.06 0.00 0.00 176.35 175.08 1wk4 s VAL 127 N -3.84 -0.03 -0.10 1.48 0.11 -0.87 -1.73 120.40 115.43 1wk4 s VAL 127 Ca 0.06 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.11 1wk4 s VAL 127 Cb 0.01 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1wk4 s VAL 127 CO -0.08 0.05 0.29 0.26 -3.33 0.00 0.00 175.10 172.29 1wk4 s TRP 128 N 0.90 3.58 0.11 1.54 0.52 -1.26 -1.21 118.94 123.13 1wk4 s TRP 128 Ca -0.07 0.71 0.03 0.00 0.02 0.00 0.00 56.10 56.80 1wk4 s TRP 128 Cb -0.08 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 1wk4 s TRP 128 CO -0.05 0.50 -0.09 0.08 0.02 0.00 0.00 176.95 177.40 1wk4 s VAL 129 N -0.41 0.95 -0.03 4.03 1.01 0.62 -4.93 120.40 121.63 1wk4 s VAL 129 Ca 0.18 -1.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.06 1wk4 s VAL 129 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1wk4 s VAL 129 CO 0.07 -0.70 0.78 -0.76 0.00 0.00 0.00 175.10 174.49 1wk4 s LEU 130 N -2.83 4.35 0.48 3.92 1.43 -1.26 0.66 118.68 125.43 1wk4 s LEU 130 Ca 0.11 1.35 0.36 0.00 -1.03 0.00 0.00 54.13 54.91 1wk4 s LEU 130 Cb 0.01 -3.23 1.51 0.00 0.03 0.00 0.00 46.19 44.51 1wk4 s LEU 130 CO -0.01 -0.13 1.64 0.11 0.23 0.00 0.00 176.35 178.19 1wk4 h LYS 131 N 6.56 0.07 -0.96 1.70 1.79 -1.51 0.51 116.57 124.73 1wk4 h LYS 131 Ca -0.42 -0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.47 1wk4 h LYS 131 Cb 1.20 -0.01 -0.30 0.00 -1.58 0.00 0.00 32.23 31.54 1wk4 h LYS 131 CO 0.74 0.04 0.69 0.39 -1.08 0.00 0.00 179.45 180.24 1wk4 n GLU 132 N -4.43 2.48 -3.17 3.15 1.02 -1.26 -4.59 120.64 113.83 1wk4 n GLU 132 Ca 0.37 -3.18 -0.28 0.00 -0.02 0.00 0.00 57.16 54.05 1wk4 n GLU 132 Cb 1.53 -2.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 1wk4 n GLU 132 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wk4 n ASN 133 N -1.03 4.35 -0.36 1.62 2.85 0.17 -4.95 115.26 117.91 1wk4 n ASN 133 Ca 0.60 -3.56 0.03 0.00 -0.11 0.00 0.00 54.58 51.54 1wk4 n ASN 133 Cb 1.16 -0.67 0.10 0.00 1.24 0.00 0.00 39.78 41.60 1wk4 n ASN 133 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1wk4 n PRO 134 N 0.37 -0.15 -0.10 1.20 -0.02 -1.26 0.13 135.00 135.18 1wk4 n PRO 134 Ca 0.31 1.52 0.06 0.00 -2.02 0.00 0.00 63.50 63.37 1wk4 n PRO 134 Cb 0.39 -2.26 0.40 0.00 -0.02 0.00 0.00 33.50 32.01 1wk4 n PRO 134 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1wk4 h LYS 135 N 0.00 0.62 0.78 -0.52 1.57 -1.98 -0.13 116.57 116.92 1wk4 h LYS 135 Ca 0.42 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1wk4 h LYS 135 Cb 0.66 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1wk4 h LYS 135 CO -0.99 0.41 -0.38 0.78 -0.57 0.00 0.00 179.45 178.71 1wk4 h GLY 136 N 0.64 -1.09 1.97 3.86 0.00 0.71 0.59 103.07 109.75 1wk4 h GLY 136 Ca 0.24 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 1wk4 h GLY 136 CO -0.07 -0.40 -0.12 3.21 0.00 0.00 0.00 176.54 179.16 1wk4 h ARG 137 N -1.06 0.04 -0.53 4.80 3.08 -1.26 -1.14 114.38 118.31 1wk4 h ARG 137 Ca -0.11 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1wk4 h ARG 137 Cb 0.80 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1wk4 h ARG 137 CO 0.18 0.17 0.16 0.78 -1.07 0.00 0.00 179.97 180.19 1wk4 h GLY 138 N 0.45 0.90 1.00 0.04 0.00 -0.87 0.11 103.07 104.69 1wk4 h GLY 138 Ca 0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1wk4 h GLY 138 CO 0.02 0.50 0.33 -2.75 0.00 0.00 0.00 176.54 174.64 1wk4 h PHE 139 N 0.74 0.70 0.03 5.60 3.57 0.32 0.66 116.94 128.55 1wk4 h PHE 139 Ca 0.17 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.41 1wk4 h PHE 139 Cb 0.29 -0.23 0.02 0.00 2.79 0.00 0.00 35.95 38.81 1wk4 h PHE 139 CO 0.02 0.47 -1.07 1.88 -2.23 0.00 0.00 178.31 177.38 1wk4 h TYR 140 N 0.72 0.90 0.14 0.41 0.05 -1.20 -3.13 116.97 114.87 1wk4 h TYR 140 Ca 0.19 -0.51 0.01 0.00 0.05 0.00 0.00 58.73 58.47 1wk4 h TYR 140 Cb -0.03 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 1wk4 h TYR 140 CO -0.03 1.35 -0.17 0.93 -1.05 0.00 0.00 178.16 179.19 1wk4 h GLU 141 N 0.32 -0.35 0.00 4.88 5.08 -0.63 0.22 114.58 124.10 1wk4 h GLU 141 Ca -0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1wk4 h GLU 141 Cb 1.72 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1wk4 h GLU 141 CO 0.20 -0.23 0.15 0.72 -1.00 0.00 0.00 179.01 178.85 1wk4 n HIS 142 N -5.30 0.00 0.66 4.33 8.25 0.21 0.20 115.22 123.57 1wk4 n HIS 142 Ca -0.07 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.47 1wk4 n HIS 142 Cb 0.21 -0.30 0.07 0.00 1.12 0.00 0.00 29.99 31.09 1wk4 n HIS 142 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wk4 n LEU 143 N -1.29 2.37 -1.94 2.41 4.77 0.73 -4.98 117.00 119.07 1wk4 n LEU 143 Ca 0.00 -1.02 -0.11 0.00 -0.03 0.00 0.00 56.01 54.85 1wk4 n LEU 143 Cb 0.15 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1wk4 n LEU 143 CO 0.00 0.43 0.11 0.61 -1.33 0.00 0.00 177.39 177.21 1wk4 n GLY 144 N 0.92 0.26 3.84 -0.72 0.00 0.53 -5.02 105.19 104.99 1wk4 n GLY 144 Ca 0.10 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1wk4 n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wk4 s GLY 145 N -3.16 2.48 -0.01 -0.02 0.00 -0.95 -4.87 107.32 100.79 1wk4 s GLY 145 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1wk4 s GLY 145 CO 0.34 0.15 0.04 -1.34 0.00 0.00 0.00 173.10 172.29 1wk4 s VAL 146 N -1.36 4.43 0.12 1.40 -7.23 -0.11 -4.67 120.40 112.99 1wk4 s VAL 146 Ca 0.34 -0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 59.70 1wk4 s VAL 146 Cb -0.16 -3.00 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 1wk4 s VAL 146 CO 0.18 0.37 1.52 -0.22 -0.31 0.00 0.00 175.10 176.64 1wk4 s LEU 147 N -1.62 4.37 -0.04 1.32 2.96 -1.26 0.30 118.68 124.71 1wk4 s LEU 147 Ca 0.21 2.47 0.05 0.00 -0.22 0.00 0.00 54.13 56.64 1wk4 s LEU 147 Cb -0.12 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1wk4 s LEU 147 CO 0.12 -0.78 0.03 0.18 -1.32 0.00 0.00 176.35 174.58 1wk4 n LEU 148 N 4.36 0.00 0.00 -0.68 4.77 -0.64 -4.90 117.00 119.91 1wk4 n LEU 148 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1wk4 n LEU 148 Cb 0.40 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1wk4 n LEU 148 CO 0.61 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1wk4 n GLY 149 N 2.60 2.27 3.63 -0.72 0.00 -1.26 -4.98 105.19 106.73 1wk4 n GLY 149 Ca -0.07 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 1wk4 n GLY 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wk4 s GLU 150 N -2.00 2.21 -0.05 1.61 -1.05 -1.26 -0.91 118.70 117.26 1wk4 s GLU 150 Ca 0.00 -1.49 -0.03 0.00 -0.15 0.00 0.00 54.97 53.30 1wk4 s GLU 150 Cb 0.00 -2.10 0.02 0.00 -0.44 0.00 0.00 34.13 31.61 1wk4 s GLU 150 CO 0.00 0.33 0.12 0.50 0.95 0.00 0.00 175.26 177.16 1wk4 s ARG 151 N -3.67 0.11 -0.05 -4.83 3.52 0.31 -4.94 118.95 109.41 1wk4 s ARG 151 Ca 0.32 0.24 -0.24 0.00 -0.13 0.00 0.00 55.73 55.91 1wk4 s ARG 151 Cb -0.06 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.26 1wk4 s ARG 151 CO 0.19 -0.08 0.72 -2.00 -0.81 0.00 0.00 175.30 173.33 1wk4 s GLU 152 N 0.51 4.45 -0.13 5.12 2.12 -1.26 0.34 118.70 129.84 1wk4 s GLU 152 Ca -0.04 0.93 -0.04 0.00 0.36 0.00 0.00 54.97 56.18 1wk4 s GLU 152 Cb -0.05 -3.43 0.06 0.00 0.26 0.00 0.00 34.13 30.96 1wk4 s GLU 152 CO -0.02 0.10 0.16 0.96 -0.54 0.00 0.00 175.26 175.92 1wk4 s ILE 153 N 0.67 -0.25 -0.25 -3.70 -4.36 0.78 -4.97 121.20 109.13 1wk4 s ILE 153 Ca 0.38 0.15 -0.29 0.00 -0.26 0.00 0.00 60.65 60.63 1wk4 s ILE 153 Cb -0.18 -0.44 -0.02 0.00 1.25 0.00 0.00 42.46 43.06 1wk4 s ILE 153 CO 0.19 -0.01 1.69 -0.70 0.24 0.00 0.00 174.94 176.35 1wk4 s GLU 154 N 2.28 3.64 -0.11 0.37 2.12 -1.26 -2.17 118.70 123.57 1wk4 s GLU 154 Ca 0.04 1.60 0.03 0.00 0.36 0.00 0.00 54.97 57.00 1wk4 s GLU 154 Cb -0.14 -4.10 0.01 0.00 0.26 0.00 0.00 34.13 30.16 1wk4 s GLU 154 CO -0.08 -1.49 -0.21 -1.17 -0.54 0.00 0.00 175.26 171.78 1wk4 s LEU 155 N 5.78 1.98 -1.05 2.70 2.96 0.11 -4.69 118.68 126.49 1wk4 s LEU 155 Ca 0.75 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1wk4 s LEU 155 Cb -0.24 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1wk4 s LEU 155 CO 0.31 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 176.05 1wk4 n GLY 156 N 3.83 -0.47 0.26 7.98 0.00 -1.26 -0.09 105.19 115.44 1wk4 n GLY 156 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1wk4 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk4 n GLY 157 N -0.79 2.97 3.76 -0.02 0.00 -1.26 -4.56 105.19 105.30 1wk4 n GLY 157 Ca -0.14 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1wk4 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wk4 s ALA 158 N -2.47 2.09 -0.75 4.61 0.00 0.86 -5.00 121.76 121.10 1wk4 s ALA 158 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1wk4 s ALA 158 Cb 0.00 -3.22 0.18 0.00 0.00 0.00 0.00 23.12 20.08 1wk4 s ALA 158 CO 0.00 -1.88 0.56 0.21 0.00 0.00 0.00 175.76 174.65 1wk4 s LYS 159 N -4.95 2.67 0.75 0.00 2.47 -1.26 0.08 119.74 119.50 1wk4 s LYS 159 Ca 0.61 -3.28 -0.02 0.00 -1.56 0.00 0.00 55.97 51.72 1wk4 s LYS 159 Cb -0.17 -3.58 0.15 0.00 -1.46 0.00 0.00 37.83 32.78 1wk4 s LYS 159 CO 0.56 -1.27 1.03 1.28 0.16 0.00 0.00 175.35 177.11 1wk4 n LEU 160 N 2.15 0.00 -4.04 5.43 4.77 -0.92 -4.86 117.00 119.53 1wk4 n LEU 160 Ca 0.19 -2.01 -0.16 0.00 -0.03 0.00 0.00 56.01 54.00 1wk4 n LEU 160 Cb 0.35 -0.69 -0.13 0.00 -2.33 0.00 0.00 43.42 40.63 1wk4 n LEU 160 CO 0.30 -1.04 -0.42 0.26 -1.33 0.00 0.00 177.39 175.16 1wk4 s TRP 161 N -3.16 0.75 0.15 -1.77 0.52 -1.26 -0.15 118.94 114.02 1wk4 s TRP 161 Ca 0.67 -0.28 0.09 0.00 0.02 0.00 0.00 56.10 56.60 1wk4 s TRP 161 Cb -0.03 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.79 1wk4 s TRP 161 CO 0.45 -0.02 -0.20 -1.21 0.02 0.00 0.00 176.95 175.98 1wk4 s GLU 162 N -0.79 1.29 0.11 4.98 2.02 0.15 -1.26 118.70 125.21 1wk4 s GLU 162 Ca -0.01 -1.37 0.09 0.00 0.02 0.00 0.00 54.97 53.69 1wk4 s GLU 162 Cb -0.06 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1wk4 s GLU 162 CO 0.00 0.32 -0.22 0.14 0.02 0.00 0.00 175.26 175.52 1wk4 s VAL 163 N -1.73 1.79 -0.03 2.63 -7.23 0.21 0.12 120.40 116.15 1wk4 s VAL 163 Ca 0.15 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1wk4 s VAL 163 Cb -0.07 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1wk4 s VAL 163 CO 0.07 -0.05 -0.06 0.00 -0.31 0.00 0.00 175.10 174.74 1wk4 s ALA 164 N -1.19 3.04 0.01 1.32 0.00 -0.09 -0.28 121.76 124.57 1wk4 s ALA 164 Ca 0.08 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.17 1wk4 s ALA 164 Cb -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1wk4 s ALA 164 CO 0.05 0.60 -0.23 0.71 0.00 0.00 0.00 175.76 176.89 1wk4 s TYR 165 N -0.92 2.43 0.08 0.00 1.51 -0.35 -1.62 117.35 118.49 1wk4 s TYR 165 Ca 0.15 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1wk4 s TYR 165 Cb -0.11 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1wk4 s TYR 165 CO 0.05 0.11 0.11 0.20 -1.11 0.00 0.00 175.55 174.90 1wk4 s GLY 166 N -0.99 2.03 -0.07 0.71 0.00 0.15 -2.04 107.32 107.10 1wk4 s GLY 166 Ca 0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1wk4 s GLY 166 CO 0.01 -0.98 0.14 -1.36 0.00 0.00 0.00 173.10 170.92 1wk4 s PHE 167 N -1.43 -0.14 -0.54 1.90 0.40 -1.26 -0.93 117.98 115.97 1wk4 s PHE 167 Ca 0.30 0.54 -0.27 0.00 -0.60 0.00 0.00 56.93 56.90 1wk4 s PHE 167 Cb -0.12 -0.26 0.03 0.00 0.51 0.00 0.00 43.02 43.18 1wk4 s PHE 167 CO 0.23 -0.24 1.08 0.34 0.70 0.00 0.00 175.22 177.33 1wk4 s ASP 168 N 2.08 6.45 -0.48 1.36 3.68 -1.26 -4.34 116.67 124.16 1wk4 s ASP 168 Ca 0.01 0.02 0.03 0.00 2.13 0.00 0.00 52.55 54.74 1wk4 s ASP 168 Cb -0.12 -2.51 0.44 0.00 -1.45 0.00 0.00 42.92 39.29 1wk4 s ASP 168 CO -0.05 -1.32 1.51 0.00 0.13 0.00 0.00 175.17 175.43 1wk4 n LEU 169 N 7.92 5.98 -4.05 -1.34 -0.00 -0.84 -4.99 117.00 119.67 1wk4 n LEU 169 Ca 0.07 -4.69 -0.14 0.00 -0.00 0.00 0.00 56.01 51.25 1wk4 n LEU 169 Cb 0.48 -0.62 -0.04 0.00 -0.00 0.00 0.00 43.42 43.25 1wk4 n LEU 169 CO 0.68 1.90 0.18 -0.83 -0.00 0.00 0.00 177.39 179.32 1wk4 s GLY 170 N -2.83 1.29 -0.08 1.47 0.00 -1.16 -4.38 107.32 101.64 1wk4 s GLY 170 Ca 0.55 -1.39 0.09 0.00 0.00 0.00 0.00 44.72 43.97 1wk4 s GLY 170 CO -0.05 -0.90 1.14 0.61 0.00 0.00 0.00 173.10 173.90 1wk4 n GLY 171 N -0.54 0.97 2.64 0.20 0.00 -1.26 -4.99 105.19 102.21 1wk4 n GLY 171 Ca -0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1wk4 n GLY 171 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wk4 n HIS 172 N -0.23 2.84 -3.76 1.61 8.25 -1.26 -4.90 115.22 117.76 1wk4 n HIS 172 Ca -0.17 -2.87 -0.37 0.00 -0.26 0.00 0.00 57.72 54.04 1wk4 n HIS 172 Cb 0.83 -2.09 -0.13 0.00 1.12 0.00 0.00 29.99 29.72 1wk4 n HIS 172 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wk4 s LYS 173 N 0.61 3.21 0.00 -0.41 -0.14 -1.26 -5.17 119.74 116.58 1wk4 s LYS 173 Ca 0.50 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 54.42 1wk4 s LYS 173 Cb 0.14 -3.36 0.07 0.00 -1.68 0.00 0.00 37.83 33.00 1wk4 s LYS 173 CO -0.05 -0.39 0.76 0.91 -0.76 0.00 0.00 175.35 175.83