#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 3.39 -0.22 7.34 3.52 -0.91 -4.92 118.95 127.16 1wk4 s ARG 2 Ca 0.00 -0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 1wk4 s ARG 2 Cb 0.00 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.53 1wk4 s ARG 2 CO 0.00 0.03 0.17 0.42 -0.81 0.00 0.00 175.30 175.11 1wk4 s ILE 3 N 0.85 5.36 0.16 4.11 1.09 -1.26 -0.22 121.20 131.29 1wk4 s ILE 3 Ca -0.03 0.24 -0.07 0.00 -1.10 0.00 0.00 60.65 59.70 1wk4 s ILE 3 Cb -0.15 -3.51 -0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1wk4 s ILE 3 CO 0.01 0.37 0.23 0.00 -0.10 0.00 0.00 174.94 175.45 1wk4 s ARG 4 N 0.83 1.11 0.95 2.79 1.70 -0.22 -4.92 118.95 121.19 1wk4 s ARG 4 Ca 0.09 -1.25 -0.12 0.00 -0.47 0.00 0.00 55.73 53.98 1wk4 s ARG 4 Cb -0.13 0.35 0.16 0.00 -0.57 0.00 0.00 34.95 34.76 1wk4 s ARG 4 CO 0.03 -0.39 1.10 1.03 -1.08 0.00 0.00 175.30 175.99 1wk4 s ARG 5 N -3.99 0.79 0.06 3.89 0.52 -1.26 0.13 118.95 119.09 1wk4 s ARG 5 Ca 0.19 0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.98 1wk4 s ARG 5 Cb 0.04 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 1wk4 s ARG 5 CO 0.01 -2.49 -0.10 0.00 0.02 0.00 0.00 175.30 172.74 1wk4 s ALA 6 N -3.02 0.84 0.00 2.13 0.00 -0.96 -4.61 121.76 116.14 1wk4 s ALA 6 Ca 0.64 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1wk4 s ALA 6 Cb -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1wk4 s ALA 6 CO 0.57 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1wk4 n GLY 7 N 1.26 3.54 0.17 0.00 0.00 -1.26 -4.87 105.19 104.04 1wk4 n GLY 7 Ca -0.21 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 1wk4 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wk4 h LEU 8 N 0.00 0.26 -0.28 0.99 4.07 -1.98 -2.80 115.31 115.57 1wk4 h LEU 8 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1wk4 h LEU 8 Cb 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1wk4 h LEU 8 CO 0.00 0.77 0.00 -1.84 -1.08 0.00 0.00 178.44 176.29 1wk4 n GLU 9 N -3.89 0.06 -0.04 1.13 0.00 -1.26 -2.36 120.64 114.28 1wk4 n GLU 9 Ca -0.02 0.36 -0.09 0.00 0.00 0.00 0.00 57.16 57.40 1wk4 n GLU 9 Cb 0.59 -1.63 -0.14 0.00 0.00 0.00 0.00 31.44 30.26 1wk4 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1wk4 n ASP 10 N -1.74 0.72 -0.34 -1.84 9.92 -1.06 -4.58 116.55 117.63 1wk4 n ASP 10 Ca 0.02 0.33 -0.11 0.00 -0.53 0.00 0.00 54.79 54.50 1wk4 n ASP 10 Cb 0.15 0.14 -0.10 0.00 -0.64 0.00 0.00 41.12 40.68 1wk4 n ASP 10 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wk4 h LEU 11 N 0.00 -2.02 -0.90 0.64 3.38 -1.50 -0.28 115.31 114.63 1wk4 h LEU 11 Ca -0.34 0.30 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1wk4 h LEU 11 Cb 2.06 0.88 -0.15 0.00 0.09 0.00 0.00 40.66 43.54 1wk4 h LEU 11 CO 0.07 -0.27 -0.40 -0.65 0.09 0.00 0.00 178.44 177.29 1wk4 h PRO 12 N -0.10 -0.04 -0.95 1.13 0.11 -1.81 0.70 132.00 131.05 1wk4 h PRO 12 Ca 0.13 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.28 1wk4 h PRO 12 Cb 0.44 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 1wk4 h PRO 12 CO -0.82 -0.03 0.61 0.78 -0.21 0.00 0.00 178.00 178.33 1wk4 h GLY 13 N -0.04 1.39 1.02 -0.55 0.00 -1.49 -1.11 103.07 102.28 1wk4 h GLY 13 Ca 0.30 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1wk4 h GLY 13 CO -0.91 0.39 0.57 -2.08 0.00 0.00 0.00 176.54 174.51 1wk4 h VAL 14 N 1.18 1.26 -0.24 4.60 2.07 0.18 -2.67 116.25 122.63 1wk4 h VAL 14 Ca 0.38 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1wk4 h VAL 14 Cb 0.02 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 1wk4 h VAL 14 CO -0.13 0.27 0.02 0.00 0.02 0.00 0.00 177.57 177.75 1wk4 h ALA 15 N 1.31 0.22 -0.77 1.67 0.00 0.11 -1.07 119.26 120.74 1wk4 h ALA 15 Ca 0.34 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1wk4 h ALA 15 Cb -0.06 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1wk4 h ALA 15 CO -0.06 -0.41 0.49 -0.09 0.00 0.00 0.00 179.25 179.18 1wk4 h ARG 16 N 0.10 1.03 -0.55 0.00 2.43 -1.17 -1.26 114.38 114.95 1wk4 h ARG 16 Ca 0.11 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1wk4 h ARG 16 Cb 0.13 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1wk4 h ARG 16 CO -0.18 0.70 -0.08 0.28 -1.51 0.00 0.00 179.97 179.18 1wk4 h VAL 17 N 1.05 1.27 0.68 0.20 2.07 -1.11 -0.15 116.25 120.26 1wk4 h VAL 17 Ca 0.28 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1wk4 h VAL 17 Cb -0.09 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1wk4 h VAL 17 CO -0.06 0.44 -0.33 0.25 0.02 0.00 0.00 177.57 177.90 1wk4 h LEU 18 N 0.90 -0.77 0.17 2.57 6.46 -0.45 -0.87 115.31 123.32 1wk4 h LEU 18 Ca 0.14 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1wk4 h LEU 18 Cb 0.65 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1wk4 h LEU 18 CO 0.04 -0.52 -0.14 0.58 -0.62 0.00 0.00 178.44 177.79 1wk4 h VAL 19 N -0.98 0.70 -0.70 1.05 2.07 -1.32 0.34 116.25 117.41 1wk4 h VAL 19 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1wk4 h VAL 19 Cb 0.70 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1wk4 h VAL 19 CO 0.15 0.00 0.40 0.44 0.02 0.00 0.00 177.57 178.59 1wk4 h ASP 20 N -0.32 0.62 0.78 0.57 5.19 -1.10 0.11 116.42 122.28 1wk4 h ASP 20 Ca -0.00 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 1wk4 h ASP 20 Cb 0.29 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1wk4 h ASP 20 CO -0.02 0.40 -0.76 0.74 -3.12 0.00 0.00 179.24 176.49 1wk4 h THR 21 N 0.75 1.53 0.50 0.35 2.02 -0.98 -2.29 112.91 114.79 1wk4 h THR 21 Ca 0.31 -2.61 -0.02 0.00 0.77 0.00 0.00 66.41 64.85 1wk4 h THR 21 Cb 0.16 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1wk4 h THR 21 CO -0.17 0.74 -0.24 -0.50 0.37 0.00 0.00 175.52 175.72 1wk4 h TRP 22 N 0.00 -0.63 -0.43 3.16 4.06 0.46 -2.33 115.95 120.25 1wk4 h TRP 22 Ca -0.01 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.02 1wk4 h TRP 22 Cb 1.35 0.21 -0.09 0.00 -1.00 0.00 0.00 29.16 29.63 1wk4 h TRP 22 CO 0.00 -0.30 -0.20 0.00 -3.56 0.00 0.00 178.44 174.38 1wk4 h ARG 23 N -1.00 -0.11 0.00 0.49 2.47 -0.85 0.59 114.38 115.96 1wk4 h ARG 23 Ca -0.07 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1wk4 h ARG 23 Cb 0.61 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1wk4 h ARG 23 CO 0.11 -0.07 0.00 0.00 0.56 0.00 0.00 179.97 180.57 1wk4 n ALA 24 N -2.89 1.70 -0.04 0.04 0.00 -0.86 -2.72 120.51 115.72 1wk4 n ALA 24 Ca 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1wk4 n ALA 24 Cb 0.29 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1wk4 n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wk4 n THR 25 N -1.36 0.48 0.97 0.00 -1.04 -0.15 -4.76 114.28 108.41 1wk4 n THR 25 Ca 0.05 -0.15 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 1wk4 n THR 25 Cb 0.12 -1.25 0.21 0.00 -1.82 0.00 0.00 70.33 67.59 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 -3.10 0.03 -1.61 -1.42 4.02 0.02 -4.87 117.16 110.23 1wk4 n TYR 26 Ca -0.16 0.01 -0.45 0.00 -0.01 0.00 0.00 57.90 57.29 1wk4 n TYR 26 Cb 0.64 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1wk4 n TYR 26 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1wk4 n ARG 27 N -1.54 1.48 -0.38 -0.72 0.63 -1.10 0.11 116.66 115.14 1wk4 n ARG 27 Ca 0.05 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1wk4 n ARG 27 Cb 0.34 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 31.27 1wk4 n ARG 27 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wk4 n GLY 28 N 1.48 1.96 0.00 5.14 0.00 -1.26 -4.67 105.19 107.84 1wk4 n GLY 28 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 0.00 -5.11 1.61 0.31 0.30 -5.00 118.33 108.44 1wk4 n VAL 29 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1wk4 n VAL 29 Cb 0.00 -0.82 -0.17 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.97 1.88 -0.08 2.52 1.01 0.54 -5.06 120.40 119.25 1wk4 s VAL 30 Ca 0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 61.98 60.65 1wk4 s VAL 30 Cb 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 36.38 34.57 1wk4 s VAL 30 CO 0.00 0.52 1.34 -2.65 0.00 0.00 0.00 175.10 174.32 1wk4 n PRO 31 N 3.40 0.60 -0.36 2.72 -0.02 -1.26 -4.61 135.00 135.47 1wk4 n PRO 31 Ca -0.19 0.22 0.30 0.00 -2.02 0.00 0.00 63.50 61.80 1wk4 n PRO 31 Cb 0.53 -1.80 0.60 0.00 -0.02 0.00 0.00 33.50 32.81 1wk4 n PRO 31 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wk4 h GLU 32 N 4.48 0.22 -0.66 -0.52 4.39 -1.97 0.59 114.58 121.10 1wk4 h GLU 32 Ca -0.48 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.26 1wk4 h GLU 32 Cb 1.37 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 1wk4 h GLU 32 CO 0.79 0.15 0.38 0.00 -1.16 0.00 0.00 179.01 179.16 1wk4 h ALA 33 N 1.55 0.88 0.57 3.43 0.00 -1.97 0.91 119.26 124.64 1wk4 h ALA 33 Ca 0.65 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 1wk4 h ALA 33 Cb 1.98 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1wk4 h ALA 33 CO -0.25 0.07 -0.40 0.35 0.00 0.00 0.00 179.25 179.02 1wk4 h PHE 34 N 0.71 -1.07 -0.09 0.00 3.57 -1.22 0.44 116.94 119.29 1wk4 h PHE 34 Ca 0.29 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1wk4 h PHE 34 Cb 0.15 0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1wk4 h PHE 34 CO -0.07 -0.57 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.02 1wk4 h LEU 35 N -0.92 -1.08 -2.52 0.59 4.07 -1.45 0.60 115.31 114.60 1wk4 h LEU 35 Ca -0.08 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1wk4 h LEU 35 Cb 0.75 0.45 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1wk4 h LEU 35 CO 0.05 -0.39 0.00 -0.33 -1.08 0.00 0.00 178.44 176.69 1wk4 h GLU 36 N -0.45 0.00 -0.01 1.13 5.08 -0.77 0.43 114.58 119.99 1wk4 h GLU 36 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1wk4 h GLU 36 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wk4 h GLU 36 CO -0.34 0.00 -0.10 0.41 -1.00 0.00 0.00 179.01 177.98 1wk4 n GLY 37 N -1.10 -0.75 3.80 -3.84 0.00 0.20 -4.87 105.19 98.63 1wk4 n GLY 37 Ca -0.02 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.35 3.88 -0.01 0.99 1.43 0.15 -5.02 118.68 117.75 1wk4 s LEU 38 Ca 0.32 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1wk4 s LEU 38 Cb 0.20 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 1wk4 s LEU 38 CO 0.45 -0.74 -0.13 -0.55 0.23 0.00 0.00 176.35 175.61 1wk4 s SER 39 N -1.93 1.54 0.01 2.29 0.15 -1.26 -5.05 113.70 109.45 1wk4 s SER 39 Ca 0.66 -0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 1wk4 s SER 39 Cb -0.17 -0.21 -0.18 0.00 -1.71 0.00 0.00 66.02 63.75 1wk4 s SER 39 CO 0.21 0.15 1.32 1.88 1.20 0.00 0.00 173.24 177.99 1wk4 h TYR 40 N 5.90 -0.19 0.41 3.44 -1.99 -1.97 -2.47 116.97 120.10 1wk4 h TYR 40 Ca -0.33 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.37 1wk4 h TYR 40 Cb 1.17 0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1wk4 h TYR 40 CO 0.41 0.15 -0.20 0.93 -0.00 0.00 0.00 178.16 179.45 1wk4 h GLU 41 N -0.55 -0.53 -0.86 4.88 5.08 -1.97 -2.06 114.58 118.56 1wk4 h GLU 41 Ca -0.02 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1wk4 h GLU 41 Cb 0.42 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1wk4 h GLU 41 CO 0.03 -0.23 0.56 0.78 -1.00 0.00 0.00 179.01 179.16 1wk4 h GLY 42 N -0.85 1.22 0.96 -3.84 0.00 -2.00 0.72 103.07 99.28 1wk4 h GLY 42 Ca -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1wk4 h GLY 42 CO 0.09 0.22 0.13 -1.61 0.00 0.00 0.00 176.54 175.38 1wk4 h GLN 43 N 0.87 0.74 -0.95 4.80 5.75 -1.43 0.43 115.11 125.32 1wk4 h GLN 43 Ca 0.39 -0.17 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 1wk4 h GLN 43 Cb 0.36 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.75 1wk4 h GLN 43 CO -0.16 0.72 0.62 0.00 -2.65 0.00 0.00 178.83 177.36 1wk4 h ALA 44 N 0.99 1.29 0.38 3.38 0.00 -0.34 -1.98 119.26 122.99 1wk4 h ALA 44 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1wk4 h ALA 44 Cb 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wk4 h ALA 44 CO -0.00 0.45 -0.20 0.93 0.00 0.00 0.00 179.25 180.42 1wk4 h GLU 45 N 1.16 -0.53 -0.93 0.00 4.39 -0.14 0.14 114.58 118.67 1wk4 h GLU 45 Ca 0.40 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.24 1wk4 h GLU 45 Cb 0.08 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 28.72 1wk4 h GLU 45 CO -0.15 -0.35 -0.50 -0.09 -1.16 0.00 0.00 179.01 176.77 1wk4 h ARG 46 N -0.55 -0.04 0.00 2.33 2.43 -0.20 1.36 114.38 119.72 1wk4 h ARG 46 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1wk4 h ARG 46 Cb 0.43 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1wk4 h ARG 46 CO 0.07 -0.02 0.00 0.91 -1.51 0.00 0.00 179.97 179.41 1wk4 n TRP 47 N -5.35 0.11 0.16 2.20 7.02 -0.99 -3.53 117.44 117.05 1wk4 n TRP 47 Ca 0.05 0.03 -0.07 0.00 -1.02 0.00 0.00 57.50 56.49 1wk4 n TRP 47 Cb 0.33 -0.56 -0.04 0.00 -2.42 0.00 0.00 31.31 28.62 1wk4 n TRP 47 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wk4 h ALA 48 N 2.76 -0.49 -0.98 6.99 0.00 0.47 -2.89 119.26 125.12 1wk4 h ALA 48 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1wk4 h ALA 48 Cb 0.43 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1wk4 h ALA 48 CO 0.00 -0.45 0.63 1.96 0.00 0.00 0.00 179.25 181.39 1wk4 h GLN 49 N -1.12 1.12 -0.35 0.00 7.50 -1.34 -2.35 115.11 118.58 1wk4 h GLN 49 Ca -0.05 -0.07 -0.06 0.00 0.50 0.00 0.00 58.65 58.97 1wk4 h GLN 49 Cb 0.37 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1wk4 h GLN 49 CO 0.08 0.74 -0.05 0.00 -1.50 0.00 0.00 178.83 178.11 1wk4 h ARG 50 N 1.16 0.57 -0.74 1.46 3.08 -1.67 -2.27 114.38 115.96 1wk4 h ARG 50 Ca 0.42 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 1wk4 h ARG 50 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1wk4 h ARG 50 CO -0.16 0.63 0.31 -0.07 -1.07 0.00 0.00 179.97 179.60 1wk4 h LEU 51 N 0.53 1.02 -6.65 3.04 -0.00 -1.20 -3.23 115.31 108.82 1wk4 h LEU 51 Ca 0.11 -0.17 -0.74 0.00 -0.00 0.00 0.00 57.88 57.08 1wk4 h LEU 51 Cb 0.42 -0.26 -0.13 0.00 -0.00 0.00 0.00 40.66 40.68 1wk4 h LEU 51 CO 0.02 0.90 2.12 0.29 -0.00 0.00 0.00 178.44 181.78 1wk4 n LYS 52 N -4.34 3.43 -3.07 1.13 5.02 -0.85 -4.72 118.16 114.76 1wk4 n LYS 52 Ca 0.06 -3.41 0.02 0.00 -2.02 0.00 0.00 58.31 52.97 1wk4 n LYS 52 Cb 0.17 -3.04 -0.00 0.00 -0.02 0.00 0.00 35.03 32.14 1wk4 n LYS 52 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wk4 s THR 53 N 1.26 -0.69 0.52 -0.18 2.01 -1.22 -4.90 115.64 112.43 1wk4 s THR 53 Ca 0.42 0.00 0.36 0.00 0.31 0.00 0.00 61.69 62.79 1wk4 s THR 53 Cb 0.08 -0.17 0.56 0.00 0.01 0.00 0.00 72.50 72.99 1wk4 s THR 53 CO -0.01 0.00 1.73 -0.65 -0.69 0.00 0.00 174.62 175.01 1wk4 h PRO 54 N 6.70 0.06 -0.02 4.92 0.11 -1.90 0.43 132.00 142.31 1wk4 h PRO 54 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wk4 h PRO 54 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wk4 h PRO 54 CO 0.04 0.04 0.00 -2.37 -0.21 0.00 0.00 178.00 175.50 1wk4 n THR 55 N -4.24 0.02 -3.25 -1.15 5.66 -1.26 -4.78 114.28 105.27 1wk4 n THR 55 Ca 0.31 -0.09 -0.42 0.00 -3.05 0.00 0.00 64.05 60.79 1wk4 n THR 55 Cb 1.38 -0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.94 1wk4 n THR 55 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1wk4 s TRP 56 N -1.98 3.15 -2.00 1.09 -0.00 0.15 -4.94 118.94 114.42 1wk4 s TRP 56 Ca 0.40 -0.15 0.19 0.00 -0.00 0.00 0.00 56.10 56.53 1wk4 s TRP 56 Cb 0.19 -3.00 1.13 0.00 -0.00 0.00 0.00 33.47 31.79 1wk4 s TRP 56 CO 0.32 -0.69 1.53 -2.30 -0.00 0.00 0.00 176.95 175.80 1wk4 n PRO 57 N 5.79 0.60 -1.68 5.86 -0.02 -1.26 -4.89 135.00 139.39 1wk4 n PRO 57 Ca -0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.02 1wk4 n PRO 57 Cb 0.48 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1wk4 n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wk4 n GLY 58 N 0.19 0.41 2.93 -1.23 0.00 -1.26 -4.72 105.19 101.51 1wk4 n GLY 58 Ca 0.14 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1wk4 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wk4 s ARG 59 N -2.16 1.65 -0.13 1.61 3.00 -0.50 -4.98 118.95 117.45 1wk4 s ARG 59 Ca 0.61 -0.74 -0.06 0.00 0.00 0.00 0.00 55.73 55.55 1wk4 s ARG 59 Cb -0.52 -2.29 -0.04 0.00 0.00 0.00 0.00 34.95 32.10 1wk4 s ARG 59 CO 0.58 -0.48 0.08 -0.51 0.00 0.00 0.00 175.30 174.97 1wk4 s LEU 60 N 1.51 4.00 0.33 2.53 1.02 -1.26 -0.28 118.68 126.53 1wk4 s LEU 60 Ca -0.02 0.27 0.09 0.00 0.02 0.00 0.00 54.13 54.50 1wk4 s LEU 60 Cb -0.17 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 44.01 1wk4 s LEU 60 CO -0.08 0.34 -0.10 -0.36 0.02 0.00 0.00 176.35 176.17 1wk4 s PHE 61 N -0.61 2.34 -0.19 0.29 0.40 0.62 -2.26 117.98 118.56 1wk4 s PHE 61 Ca 0.11 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 1wk4 s PHE 61 Cb -0.12 -1.31 0.06 0.00 0.51 0.00 0.00 43.02 42.17 1wk4 s PHE 61 CO 0.02 0.57 0.48 0.08 0.70 0.00 0.00 175.22 177.07 1wk4 s VAL 62 N -2.64 -0.02 0.04 -0.44 1.01 0.34 -2.78 120.40 115.92 1wk4 s VAL 62 Ca 0.32 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 1wk4 s VAL 62 Cb 0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1wk4 s VAL 62 CO 0.16 0.02 0.68 0.00 0.00 0.00 0.00 175.10 175.96 1wk4 s ALA 63 N 1.26 3.45 -0.11 5.51 0.00 -0.87 -1.05 121.76 129.96 1wk4 s ALA 63 Ca -0.08 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1wk4 s ALA 63 Cb -0.07 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1wk4 s ALA 63 CO -0.12 0.17 -0.13 -2.00 0.00 0.00 0.00 175.76 173.69 1wk4 s GLU 64 N -0.37 1.97 0.84 0.00 2.12 0.69 -1.64 118.70 122.31 1wk4 s GLU 64 Ca 0.34 -0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.11 1wk4 s GLU 64 Cb -0.20 -1.77 0.10 0.00 0.26 0.00 0.00 34.13 32.53 1wk4 s GLU 64 CO 0.21 -0.13 1.10 -1.54 -0.54 0.00 0.00 175.26 174.36 1wk4 s SER 65 N 1.19 3.80 0.56 -1.70 1.04 -0.07 -2.13 113.70 116.40 1wk4 s SER 65 Ca -0.03 1.84 0.26 0.00 0.48 0.00 0.00 55.95 58.50 1wk4 s SER 65 Cb -0.14 -2.46 1.54 0.00 0.10 0.00 0.00 66.02 65.06 1wk4 s SER 65 CO -0.04 -2.49 2.10 -0.33 0.98 0.00 0.00 173.24 173.47 1wk4 h GLU 66 N -1.44 0.00 0.00 4.02 4.39 -1.99 0.89 114.58 120.46 1wk4 h GLU 66 Ca -0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 1wk4 h GLU 66 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1wk4 h GLU 66 CO 0.49 0.00 -0.37 1.03 -1.16 0.00 0.00 179.01 179.00 1wk4 h SER 67 N 0.00 0.00 0.00 1.42 0.87 -2.05 -3.46 113.55 110.33 1wk4 h SER 67 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1wk4 h SER 67 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1wk4 h SER 67 CO -0.00 0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 1wk4 n GLY 68 N 0.23 1.13 3.76 5.77 0.00 0.31 -5.09 105.19 111.30 1wk4 n GLY 68 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.56 4.49 -0.42 1.61 2.12 -1.25 -4.71 118.70 119.99 1wk4 s GLU 69 Ca 0.00 1.06 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 1wk4 s GLU 69 Cb 0.00 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1wk4 s GLU 69 CO 0.00 0.39 1.37 0.08 -0.54 0.00 0.00 175.26 176.56 1wk4 s VAL 70 N -0.42 3.95 -0.02 3.70 1.01 -1.26 -0.89 120.40 126.47 1wk4 s VAL 70 Ca 0.37 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1wk4 s VAL 70 Cb -0.21 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1wk4 s VAL 70 CO 0.23 -0.78 0.06 1.33 0.00 0.00 0.00 175.10 175.95 1wk4 n VAL 71 N 7.01 0.13 -4.44 2.92 0.24 -0.65 -4.83 118.33 118.72 1wk4 n VAL 71 Ca 0.16 -0.14 -0.25 0.00 -2.04 0.00 0.00 64.34 62.07 1wk4 n VAL 71 Cb 0.48 -0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.58 1wk4 n VAL 71 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wk4 s GLY 72 N -2.99 2.09 -0.28 7.63 0.00 -1.18 -1.33 107.32 111.26 1wk4 s GLY 72 Ca -0.02 -2.00 -0.23 0.00 0.00 0.00 0.00 44.72 42.48 1wk4 s GLY 72 CO 0.19 -1.96 1.00 -0.12 0.00 0.00 0.00 173.10 172.21 1wk4 s PHE 73 N -2.55 -0.52 -0.18 1.90 5.36 -0.85 -2.04 117.98 119.09 1wk4 s PHE 73 Ca 0.33 1.21 -0.16 0.00 -0.96 0.00 0.00 56.93 57.35 1wk4 s PHE 73 Cb 0.00 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 43.10 1wk4 s PHE 73 CO 0.18 -0.25 0.47 0.00 -1.46 0.00 0.00 175.22 174.16 1wk4 s ALA 74 N 0.52 -1.18 -0.06 11.12 0.00 -1.12 -0.53 121.76 130.52 1wk4 s ALA 74 Ca 0.00 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1wk4 s ALA 74 Cb -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1wk4 s ALA 74 CO -0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 175.76 175.28 1wk4 s ALA 75 N 0.28 1.53 0.45 0.00 0.00 0.32 -0.28 121.76 124.06 1wk4 s ALA 75 Ca -0.00 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1wk4 s ALA 75 Cb -0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 1wk4 s ALA 75 CO 0.00 0.23 0.01 -0.06 0.00 0.00 0.00 175.76 175.95 1wk4 s PHE 76 N 0.25 2.29 0.00 0.00 0.40 0.62 -1.43 117.98 120.11 1wk4 s PHE 76 Ca -0.09 -0.77 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 1wk4 s PHE 76 Cb -0.14 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1wk4 s PHE 76 CO 0.03 0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.73 1wk4 n GLY 77 N -1.08 -0.61 3.71 4.36 0.00 -1.09 -1.41 105.19 109.06 1wk4 n GLY 77 Ca -0.10 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.96 2.81 -1.62 1.61 -0.02 -1.26 -0.11 135.00 135.44 1wk4 n PRO 78 Ca 0.00 1.02 -0.60 0.00 -2.02 0.00 0.00 63.50 61.89 1wk4 n PRO 78 Cb 0.00 -2.89 -0.09 0.00 -0.02 0.00 0.00 33.50 30.51 1wk4 n PRO 78 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wk4 n ASP 79 N 4.71 1.77 0.30 2.55 4.64 0.35 -4.50 116.55 126.37 1wk4 n ASP 79 Ca 0.17 0.97 -0.12 0.00 -1.38 0.00 0.00 54.79 54.43 1wk4 n ASP 79 Cb 0.36 -1.04 -0.06 0.00 -1.04 0.00 0.00 41.12 39.34 1wk4 n ASP 79 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1wk4 h ARG 80 N 7.47 -0.73 -0.00 -0.67 -0.00 -1.88 -3.43 114.38 115.13 1wk4 h ARG 80 Ca -0.38 0.05 -0.13 0.00 -0.50 0.00 0.00 59.98 59.02 1wk4 h ARG 80 Cb 1.35 0.17 -0.15 0.00 0.00 0.00 0.00 29.97 31.33 1wk4 h ARG 80 CO 0.99 -0.49 -0.36 0.00 0.00 0.00 0.00 179.97 180.12 1wk4 n ALA 81 N -2.41 3.64 -0.21 0.04 0.00 -1.26 -4.99 120.51 115.31 1wk4 n ALA 81 Ca -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 53.44 52.47 1wk4 n ALA 81 Cb 0.30 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 0.10 -0.92 0.00 0.00 0.02 -1.95 -3.46 113.55 107.34 1wk4 h SER 82 Ca -0.54 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1wk4 h SER 82 Cb 1.45 0.50 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1wk4 h SER 82 CO -0.25 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 1wk4 n GLY 83 N -1.44 0.94 3.04 -3.77 0.00 -1.26 -5.05 105.19 97.64 1wk4 n GLY 83 Ca 0.06 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 3.56 -0.06 1.61 0.40 -1.26 -5.08 117.98 115.15 1wk4 s PHE 84 Ca 0.00 -2.87 -0.38 0.00 -0.60 0.00 0.00 56.93 53.09 1wk4 s PHE 84 Cb 0.00 -3.01 -0.16 0.00 0.51 0.00 0.00 43.02 40.36 1wk4 s PHE 84 CO 0.00 -0.90 1.53 -2.30 0.70 0.00 0.00 175.22 174.25 1wk4 n PRO 85 N 4.01 1.26 0.00 0.24 -0.02 -1.26 -1.77 135.00 137.47 1wk4 n PRO 85 Ca 0.03 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1wk4 n PRO 85 Cb 0.39 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1wk4 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wk4 n GLY 86 N 3.30 1.62 3.37 -1.23 0.00 -1.26 -5.03 105.19 105.95 1wk4 n GLY 86 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.83 3.03 -0.07 1.61 1.51 -0.73 -3.07 117.35 117.80 1wk4 s TYR 87 Ca 0.00 -0.98 -0.24 0.00 -1.01 0.00 0.00 57.07 54.84 1wk4 s TYR 87 Cb 0.00 -3.97 -0.29 0.00 -0.11 0.00 0.00 41.96 37.59 1wk4 s TYR 87 CO 0.00 -1.25 0.88 1.79 -1.11 0.00 0.00 175.55 175.86 1wk4 h THR 88 N 5.92 1.59 -3.93 -0.71 1.35 -1.68 -3.45 112.91 112.01 1wk4 h THR 88 Ca -0.29 -2.42 -0.62 0.00 -0.55 0.00 0.00 66.41 62.52 1wk4 h THR 88 Cb 1.09 3.20 -0.22 0.00 -1.73 0.00 0.00 68.15 70.49 1wk4 h THR 88 CO 1.09 0.67 -0.85 0.00 -0.25 0.00 0.00 175.52 176.18 1wk4 s ALA 89 N -2.45 2.07 0.12 6.62 0.00 -1.11 0.13 121.76 127.13 1wk4 s ALA 89 Ca -0.15 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1wk4 s ALA 89 Cb -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1wk4 s ALA 89 CO 0.79 0.45 -0.18 -1.83 0.00 0.00 0.00 175.76 174.98 1wk4 s GLU 90 N -1.95 1.10 -0.55 0.00 -1.05 0.84 -2.53 118.70 114.56 1wk4 s GLU 90 Ca 0.10 -1.21 -0.27 0.00 -0.15 0.00 0.00 54.97 53.44 1wk4 s GLU 90 Cb -0.10 -1.20 0.03 0.00 -0.44 0.00 0.00 34.13 32.42 1wk4 s GLU 90 CO 0.05 0.26 1.09 -1.17 0.95 0.00 0.00 175.26 176.44 1wk4 s LEU 91 N -2.19 3.71 0.05 1.83 0.20 -0.95 -2.68 118.68 118.65 1wk4 s LEU 91 Ca 0.08 0.00 -0.20 0.00 0.69 0.00 0.00 54.13 54.71 1wk4 s LEU 91 Cb -0.08 -3.10 -0.13 0.00 -0.43 0.00 0.00 46.19 42.44 1wk4 s LEU 91 CO 0.04 -1.35 1.36 -0.50 -0.29 0.00 0.00 176.35 175.61 1wk4 h TRP 92 N 9.41 0.48 -2.63 5.38 6.55 -1.57 -3.41 115.95 130.17 1wk4 h TRP 92 Ca -0.25 -0.14 -0.08 0.00 0.95 0.00 0.00 58.89 59.36 1wk4 h TRP 92 Cb 1.06 -0.10 -0.19 0.00 -0.86 0.00 0.00 29.16 29.07 1wk4 h TRP 92 CO 0.98 0.78 -0.04 0.00 -1.05 0.00 0.00 178.44 179.10 1wk4 s ALA 93 N -4.32 -1.24 -0.30 1.49 0.00 -1.17 -4.98 121.76 111.24 1wk4 s ALA 93 Ca -0.14 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 1wk4 s ALA 93 Cb 0.06 0.12 0.13 0.00 0.00 0.00 0.00 23.12 23.43 1wk4 s ALA 93 CO 0.76 -0.36 0.67 -1.50 0.00 0.00 0.00 175.76 175.34 1wk4 s ILE 94 N -1.58 -0.93 -0.07 0.00 2.07 -1.26 -0.52 121.20 118.92 1wk4 s ILE 94 Ca -0.10 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.10 1wk4 s ILE 94 Cb -0.02 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.60 1wk4 s ILE 94 CO 0.05 0.00 0.16 -0.31 -1.91 0.00 0.00 174.94 172.93 1wk4 s TYR 95 N 2.82 -0.19 -0.08 3.50 1.51 0.32 -4.99 117.35 120.23 1wk4 s TYR 95 Ca -0.06 0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.52 1wk4 s TYR 95 Cb -0.11 -0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.67 1wk4 s TYR 95 CO -0.19 -0.16 -0.08 0.08 -1.11 0.00 0.00 175.55 174.09 1wk4 s VAL 96 N 0.99 3.57 0.17 0.71 1.01 -1.26 -2.02 120.40 123.56 1wk4 s VAL 96 Ca -0.07 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.05 1wk4 s VAL 96 Cb -0.09 -2.47 -0.13 0.00 0.00 0.00 0.00 36.38 33.68 1wk4 s VAL 96 CO -0.05 0.57 1.61 0.18 0.00 0.00 0.00 175.10 177.41 1wk4 n LEU 97 N 2.57 3.30 -0.33 3.92 4.77 -0.44 -4.77 117.00 126.02 1wk4 n LEU 97 Ca -0.18 1.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.97 1wk4 n LEU 97 Cb 0.53 -1.46 0.19 0.00 -2.33 0.00 0.00 43.42 40.35 1wk4 n LEU 97 CO 0.28 -0.18 0.67 -2.65 -1.33 0.00 0.00 177.39 174.18 1wk4 n PRO 98 N 3.55 -0.08 0.00 3.23 -0.02 -1.26 0.17 135.00 140.59 1wk4 n PRO 98 Ca 0.17 1.43 0.07 0.00 -2.02 0.00 0.00 63.50 63.14 1wk4 n PRO 98 Cb 0.30 -2.19 0.37 0.00 -0.02 0.00 0.00 33.50 31.96 1wk4 n PRO 98 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1wk4 n THR 99 N -5.46 0.36 0.02 3.45 -2.24 -1.26 -2.34 114.28 106.81 1wk4 n THR 99 Ca 0.18 0.09 0.02 0.00 -2.27 0.00 0.00 64.05 62.07 1wk4 n THR 99 Cb 0.57 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1wk4 n THR 99 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1wk4 n TRP 100 N -1.16 0.08 -1.19 4.78 7.02 0.45 -5.05 117.44 122.37 1wk4 n TRP 100 Ca 0.08 -0.31 -0.29 0.00 -1.02 0.00 0.00 57.50 55.96 1wk4 n TRP 100 Cb 0.08 -0.03 0.21 0.00 -2.42 0.00 0.00 31.31 29.16 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 -0.72 -0.49 -1.15 -0.99 -0.21 -0.99 -3.87 119.66 111.23 1wk4 s GLN 101 Ca 0.06 0.09 -0.05 0.00 0.02 0.00 0.00 55.36 55.48 1wk4 s GLN 101 Cb 0.03 -1.67 0.04 0.00 1.00 0.00 0.00 33.01 32.41 1wk4 s GLN 101 CO 0.04 -3.26 0.28 0.54 -2.12 0.00 0.00 175.29 170.78 1wk4 n ARG 102 N -4.47 -3.00 0.00 2.91 1.74 -1.26 -4.81 116.66 107.77 1wk4 n ARG 102 Ca 0.10 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1wk4 n ARG 102 Cb 0.59 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.84 1wk4 n ARG 102 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1wk4 n LYS 103 N -3.33 1.72 0.00 5.56 4.81 -1.25 -5.02 118.16 120.65 1wk4 n LYS 103 Ca -0.07 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 1wk4 n LYS 103 Cb 0.57 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.89 1wk4 n LYS 103 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wk4 n GLY 104 N 0.32 2.84 0.40 3.14 0.00 -1.26 -4.94 105.19 105.69 1wk4 n GLY 104 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 0.11 0.99 4.07 -1.96 0.74 115.31 119.26 1wk4 h LEU 105 Ca 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.69 1wk4 h LEU 105 Cb 0.00 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.77 1wk4 h LEU 105 CO 0.00 0.00 -1.13 1.23 -1.08 0.00 0.00 178.44 177.46 1wk4 h GLY 106 N 0.00 0.65 1.83 0.83 0.00 -1.93 -1.82 103.07 102.63 1wk4 h GLY 106 Ca 0.17 -1.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.00 1wk4 h GLY 106 CO -0.00 1.18 -0.84 0.07 0.00 0.00 0.00 176.54 176.95 1wk4 h ARG 107 N 0.17 0.00 0.52 4.80 -0.00 -1.34 -1.39 114.38 117.14 1wk4 h ARG 107 Ca -0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.78 1wk4 h ARG 107 Cb 1.82 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.79 1wk4 h ARG 107 CO 0.22 0.65 -0.25 0.00 -0.00 0.00 0.00 179.97 180.59 1wk4 h ALA 108 N 1.29 -1.14 -0.89 0.08 0.00 -1.27 0.86 119.26 118.19 1wk4 h ALA 108 Ca -0.04 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 54.95 1wk4 h ALA 108 Cb 1.57 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 19.50 1wk4 h ALA 108 CO 0.09 -1.08 0.36 -0.07 0.00 0.00 0.00 179.25 178.54 1wk4 h LEU 109 N -0.72 0.25 0.06 0.00 3.38 -1.38 -1.88 115.31 115.02 1wk4 h LEU 109 Ca -0.07 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wk4 h LEU 109 Cb 0.53 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wk4 h LEU 109 CO 0.12 -0.05 -0.03 0.15 0.09 0.00 0.00 178.44 178.71 1wk4 h PHE 110 N 0.34 -0.08 0.05 1.13 3.57 -0.88 -2.69 116.94 118.38 1wk4 h PHE 110 Ca 0.57 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.06 1wk4 h PHE 110 Cb 1.11 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1wk4 h PHE 110 CO -0.16 -0.02 -0.02 0.45 -2.23 0.00 0.00 178.31 176.33 1wk4 h HIS 111 N -0.12 -0.06 -0.55 0.41 3.86 -0.05 -1.94 115.15 116.70 1wk4 h HIS 111 Ca -0.01 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1wk4 h HIS 111 Cb 0.10 0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.49 1wk4 h HIS 111 CO -0.06 0.02 -0.08 1.49 0.86 0.00 0.00 177.93 180.16 1wk4 h GLU 112 N -0.12 0.05 0.00 2.45 4.57 -1.41 0.48 114.58 120.60 1wk4 h GLU 112 Ca -0.01 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1wk4 h GLU 112 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1wk4 h GLU 112 CO 0.01 0.03 -0.20 0.78 -1.18 0.00 0.00 179.01 178.46 1wk4 h GLY 113 N 0.05 0.00 0.08 1.92 0.00 -1.32 -2.01 103.07 101.78 1wk4 h GLY 113 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1wk4 h GLY 113 CO -0.53 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.01 1wk4 h ALA 114 N 1.80 -0.02 -0.43 3.60 0.00 -0.28 -2.70 119.26 121.24 1wk4 h ALA 114 Ca -0.00 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1wk4 h ALA 114 Cb 0.56 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1wk4 h ALA 114 CO 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.18 1wk4 h ARG 115 N -0.94 0.05 -0.12 0.00 3.08 -0.94 1.59 114.38 117.11 1wk4 h ARG 115 Ca -0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1wk4 h ARG 115 Cb 0.78 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1wk4 h ARG 115 CO 0.00 0.04 -0.20 1.25 -1.07 0.00 0.00 179.97 179.99 1wk4 h LEU 116 N 0.06 -0.63 -1.55 3.04 5.85 -1.45 1.27 115.31 121.89 1wk4 h LEU 116 Ca 0.21 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1wk4 h LEU 116 Cb 0.32 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1wk4 h LEU 116 CO -0.40 -0.26 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.36 1wk4 h LEU 117 N -0.26 0.25 -0.03 2.25 3.38 -0.78 0.12 115.31 120.24 1wk4 h LEU 117 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wk4 h LEU 117 Cb 0.40 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wk4 h LEU 117 CO -0.27 0.31 -0.01 -0.61 0.09 0.00 0.00 178.44 177.95 1wk4 h GLN 118 N 0.27 0.07 0.07 1.13 4.15 0.45 -2.07 115.11 119.18 1wk4 h GLN 118 Ca 0.06 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.48 1wk4 h GLN 118 Cb 0.21 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1wk4 h GLN 118 CO 0.01 0.41 -0.21 0.00 -1.93 0.00 0.00 178.83 177.11 1wk4 h ALA 119 N 0.65 -0.32 0.00 3.38 0.00 0.21 0.27 119.26 123.45 1wk4 h ALA 119 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wk4 h ALA 119 Cb 0.39 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wk4 h ALA 119 CO 0.00 -0.72 0.00 0.39 0.00 0.00 0.00 179.25 178.92 1wk4 n GLU 120 N -5.33 0.03 -3.17 0.00 1.02 -0.02 -4.78 120.64 108.38 1wk4 n GLU 120 Ca -0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.04 1wk4 n GLU 120 Cb 0.25 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.50 -1.24 3.68 0.62 0.00 0.95 -5.03 105.19 103.68 1wk4 n GLY 121 Ca 0.00 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.97 3.04 0.01 1.61 2.02 -0.79 -5.02 117.35 115.26 1wk4 s TYR 122 Ca 0.01 0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 56.65 1wk4 s TYR 122 Cb -0.00 -1.63 -0.06 0.00 -0.40 0.00 0.00 41.96 39.87 1wk4 s TYR 122 CO 0.77 0.46 1.06 0.78 -1.57 0.00 0.00 175.55 177.05 1wk4 h GLY 123 N 4.09 -0.39 0.00 0.71 0.00 -1.90 -3.32 103.07 102.26 1wk4 h GLY 123 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1wk4 h GLY 123 CO 0.58 -0.14 0.00 0.54 0.00 0.00 0.00 176.54 177.52 1wk4 n ARG 124 N -3.09 0.00 0.00 4.80 1.74 -1.17 -0.48 116.66 118.46 1wk4 n ARG 124 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1wk4 n ARG 124 Cb 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 1wk4 n ARG 124 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1wk4 n LEU 126 N 0.00 0.00 -4.09 0.55 -0.00 -1.05 -1.89 117.00 110.52 1wk4 n LEU 126 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 1wk4 n LEU 126 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1wk4 n LEU 126 CO 0.00 0.00 -0.48 0.54 -0.00 0.00 0.00 177.39 177.45 1wk4 s VAL 127 N -1.88 1.22 -0.27 1.47 0.11 -0.92 -2.23 120.40 117.91 1wk4 s VAL 127 Ca 0.00 -0.59 -0.19 0.00 -2.93 0.00 0.00 61.98 58.26 1wk4 s VAL 127 Cb 0.00 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1wk4 s VAL 127 CO 0.00 0.36 0.58 0.26 -3.33 0.00 0.00 175.10 172.97 1wk4 s TRP 128 N 0.13 3.26 0.21 1.54 0.52 -1.26 -2.04 118.94 121.29 1wk4 s TRP 128 Ca -0.04 0.69 0.11 0.00 0.02 0.00 0.00 56.10 56.88 1wk4 s TRP 128 Cb -0.11 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.34 1wk4 s TRP 128 CO 0.02 -0.34 -0.18 0.08 0.02 0.00 0.00 176.95 176.55 1wk4 s VAL 129 N 2.45 2.68 0.28 4.03 1.01 0.13 -4.89 120.40 126.08 1wk4 s VAL 129 Ca 0.24 -1.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.07 1wk4 s VAL 129 Cb -0.15 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 1wk4 s VAL 129 CO 0.09 -0.17 0.75 -0.76 0.00 0.00 0.00 175.10 175.01 1wk4 s LEU 130 N -2.90 4.20 0.06 3.92 1.43 -1.26 0.13 118.68 124.27 1wk4 s LEU 130 Ca 0.24 1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 54.60 1wk4 s LEU 130 Cb -0.08 -3.86 -0.28 0.00 0.03 0.00 0.00 46.19 42.00 1wk4 s LEU 130 CO 0.13 -0.09 1.11 0.11 0.23 0.00 0.00 176.35 177.84 1wk4 h LYS 131 N 2.83 0.57 -1.55 1.70 1.57 -1.76 -3.13 116.57 116.80 1wk4 h LYS 131 Ca -0.48 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 57.52 1wk4 h LYS 131 Cb 1.18 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1wk4 h LYS 131 CO 0.65 1.35 0.00 0.39 -0.57 0.00 0.00 179.45 181.27 1wk4 n GLU 132 N -3.75 0.68 -3.17 3.15 1.02 -1.26 -3.30 120.64 114.02 1wk4 n GLU 132 Ca -0.13 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.82 1wk4 n GLU 132 Cb 0.99 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 31.22 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 1.00 1.16 0.31 1.62 2.85 -1.18 -4.94 115.26 116.08 1wk4 n ASN 133 Ca 0.00 -3.06 0.19 0.00 -0.11 0.00 0.00 54.58 51.60 1wk4 n ASN 133 Cb 0.34 -0.62 1.01 0.00 1.24 0.00 0.00 39.78 41.75 1wk4 n ASN 133 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wk4 h PRO 134 N 3.05 0.00 0.45 1.20 0.11 -1.81 -2.17 132.00 132.84 1wk4 h PRO 134 Ca 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1wk4 h PRO 134 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1wk4 h PRO 134 CO 0.53 0.00 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.88 1wk4 h LYS 135 N 0.00 -0.59 -0.12 1.05 3.64 -1.92 -1.65 116.57 116.99 1wk4 h LYS 135 Ca 0.00 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1wk4 h LYS 135 Cb 0.17 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1wk4 h LYS 135 CO 0.00 -0.35 -0.13 0.78 -2.27 0.00 0.00 179.45 177.48 1wk4 h GLY 136 N -1.13 -0.06 0.36 5.01 0.00 -1.82 -0.88 103.07 104.55 1wk4 h GLY 136 Ca -0.06 0.16 0.17 0.00 0.00 0.00 0.00 47.33 47.60 1wk4 h GLY 136 CO 0.10 -0.14 0.60 3.21 0.00 0.00 0.00 176.54 180.31 1wk4 h ARG 137 N -0.17 0.67 -0.83 4.80 3.08 -1.50 0.14 114.38 120.57 1wk4 h ARG 137 Ca 0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1wk4 h ARG 137 Cb 0.29 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1wk4 h ARG 137 CO -0.22 0.44 0.50 0.78 -1.07 0.00 0.00 179.97 180.40 1wk4 h GLY 138 N 0.69 1.20 0.26 0.04 0.00 -0.16 -3.01 103.07 102.09 1wk4 h GLY 138 Ca 0.49 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1wk4 h GLY 138 CO -0.25 0.49 -0.24 -2.75 0.00 0.00 0.00 176.54 173.78 1wk4 h PHE 139 N 1.14 -0.67 0.00 5.60 3.57 -0.11 -2.47 116.94 123.99 1wk4 h PHE 139 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1wk4 h PHE 139 Cb -0.04 0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1wk4 h PHE 139 CO -0.00 -0.33 0.14 0.66 -2.23 0.00 0.00 178.31 176.55 1wk4 n TYR 140 N -3.82 0.31 0.05 0.41 4.01 -1.06 0.52 117.16 117.57 1wk4 n TYR 140 Ca -0.06 0.16 0.03 0.00 -0.16 0.00 0.00 57.90 57.87 1wk4 n TYR 140 Cb 0.23 -0.64 -0.06 0.00 -0.31 0.00 0.00 39.34 38.55 1wk4 n TYR 140 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1wk4 n GLU 141 N -1.79 0.62 0.15 -0.72 1.02 -0.97 -1.75 120.64 117.19 1wk4 n GLU 141 Ca -0.01 0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1wk4 n GLU 141 Cb 0.16 -1.81 0.49 0.00 -0.02 0.00 0.00 31.44 30.26 1wk4 n GLU 141 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wk4 h HIS 142 N 0.00 0.00 -0.00 -0.32 2.76 0.47 -2.48 115.15 115.58 1wk4 h HIS 142 Ca -0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1wk4 h HIS 142 Cb 1.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1wk4 h HIS 142 CO 0.00 0.00 -0.76 1.28 -1.30 0.00 0.00 177.93 177.15 1wk4 n LEU 143 N -2.37 1.14 0.00 0.26 4.77 -1.07 -5.00 117.00 114.73 1wk4 n LEU 143 Ca 0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1wk4 n LEU 143 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1wk4 n LEU 143 CO 0.23 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1wk4 n GLY 144 N 1.41 3.37 3.50 -0.72 0.00 -0.93 -5.00 105.19 106.81 1wk4 n GLY 144 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1wk4 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk4 n GLY 145 N -2.00 -0.36 3.78 -0.02 0.00 -0.72 -4.87 105.19 101.00 1wk4 n GLY 145 Ca 0.00 1.07 -0.34 0.00 0.00 0.00 0.00 46.02 46.75 1wk4 n GLY 145 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wk4 s VAL 146 N 9.48 3.28 0.21 1.61 -7.23 -0.71 -4.44 120.40 122.61 1wk4 s VAL 146 Ca 1.29 0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 61.86 1wk4 s VAL 146 Cb -1.07 -3.23 -0.09 0.00 0.56 0.00 0.00 36.38 32.55 1wk4 s VAL 146 CO 0.45 -0.27 1.19 -0.22 -0.31 0.00 0.00 175.10 175.95 1wk4 s LEU 147 N -4.25 4.46 -0.02 1.32 2.96 -1.26 0.51 118.68 122.41 1wk4 s LEU 147 Ca 0.69 2.28 -0.02 0.00 -0.22 0.00 0.00 54.13 56.86 1wk4 s LEU 147 Cb -0.21 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.85 1wk4 s LEU 147 CO 0.33 -0.35 -0.04 0.18 -1.32 0.00 0.00 176.35 175.15 1wk4 n LEU 148 N 2.15 0.32 0.00 -0.68 4.77 -0.43 -4.86 117.00 118.28 1wk4 n LEU 148 Ca 0.03 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1wk4 n LEU 148 Cb 0.44 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1wk4 n LEU 148 CO 0.56 -0.49 0.51 0.61 -1.33 0.00 0.00 177.39 177.25 1wk4 n GLY 149 N 2.22 0.83 1.81 -0.72 0.00 -1.26 -5.00 105.19 103.07 1wk4 n GLY 149 Ca -0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1wk4 n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wk4 n GLU 150 N -0.45 1.14 -3.62 1.61 0.28 -1.26 -0.63 120.64 117.71 1wk4 n GLU 150 Ca -0.01 -1.65 -0.09 0.00 -0.16 0.00 0.00 57.16 55.25 1wk4 n GLU 150 Cb 0.35 0.21 -0.06 0.00 1.43 0.00 0.00 31.44 33.36 1wk4 n GLU 150 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1wk4 s ARG 151 N -3.05 0.46 -0.16 3.44 3.52 0.33 -4.90 118.95 118.58 1wk4 s ARG 151 Ca 0.13 0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.95 1wk4 s ARG 151 Cb -0.01 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.56 1wk4 s ARG 151 CO 0.08 -0.09 0.38 -2.00 -0.81 0.00 0.00 175.30 172.87 1wk4 s GLU 152 N -0.26 4.25 0.25 5.12 2.12 -1.26 0.65 118.70 129.57 1wk4 s GLU 152 Ca 0.02 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.60 1wk4 s GLU 152 Cb -0.03 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 1wk4 s GLU 152 CO -0.05 0.11 0.06 0.44 -0.54 0.00 0.00 175.26 175.28 1wk4 n ILE 153 N 3.89 0.00 -3.64 -3.70 -5.35 0.26 -4.96 119.36 105.87 1wk4 n ILE 153 Ca -0.09 -1.36 -0.13 0.00 -0.27 0.00 0.00 62.75 60.90 1wk4 n ILE 153 Cb 0.51 0.42 -0.12 0.00 -1.74 0.00 0.00 39.64 38.71 1wk4 n ILE 153 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1wk4 s GLU 154 N -2.93 0.18 -0.06 6.28 2.12 -1.25 -1.44 118.70 121.60 1wk4 s GLU 154 Ca 0.08 0.75 0.06 0.00 0.36 0.00 0.00 54.97 56.22 1wk4 s GLU 154 Cb 0.00 -0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 1wk4 s GLU 154 CO 0.06 -0.32 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.72 1wk4 s LEU 155 N 2.45 2.03 -0.85 2.70 1.43 0.38 -4.64 118.68 122.19 1wk4 s LEU 155 Ca 0.02 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1wk4 s LEU 155 Cb -0.12 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1wk4 s LEU 155 CO -0.10 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1wk4 n GLY 156 N 3.04 -0.36 2.17 -3.19 0.00 -1.26 0.17 105.19 105.77 1wk4 n GLY 156 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.68 1.81 3.81 -0.02 0.00 -1.26 -4.79 105.19 104.06 1wk4 n GLY 157 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.92 3.39 -0.56 4.61 0.00 0.45 -5.03 121.76 121.69 1wk4 s ALA 158 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1wk4 s ALA 158 Cb 0.00 -2.86 0.09 0.00 0.00 0.00 0.00 23.12 20.35 1wk4 s ALA 158 CO 0.00 0.31 0.65 0.21 0.00 0.00 0.00 175.76 176.93 1wk4 s LYS 159 N -2.00 3.05 0.16 0.00 2.20 -1.26 -0.47 119.74 121.42 1wk4 s LYS 159 Ca 0.44 -1.27 0.07 0.00 -0.36 0.00 0.00 55.97 54.85 1wk4 s LYS 159 Cb -0.17 -4.23 -0.04 0.00 -1.51 0.00 0.00 37.83 31.89 1wk4 s LYS 159 CO 0.21 -1.42 0.01 -0.51 -0.36 0.00 0.00 175.35 173.28 1wk4 s LEU 160 N 2.50 3.38 -0.18 5.43 2.01 -0.52 -4.91 118.68 126.39 1wk4 s LEU 160 Ca 0.11 -0.34 -0.05 0.00 0.01 0.00 0.00 54.13 53.86 1wk4 s LEU 160 Cb -0.24 -2.04 -0.03 0.00 0.01 0.00 0.00 46.19 43.89 1wk4 s LEU 160 CO 0.07 0.10 -0.00 0.26 1.01 0.00 0.00 176.35 177.79 1wk4 s TRP 161 N -1.67 3.07 0.30 0.29 0.52 -1.26 0.92 118.94 121.11 1wk4 s TRP 161 Ca 0.27 -0.29 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1wk4 s TRP 161 Cb -0.10 -2.04 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 1wk4 s TRP 161 CO 0.19 -0.09 0.43 -1.21 0.02 0.00 0.00 176.95 176.30 1wk4 s GLU 162 N 0.65 3.27 -0.00 4.98 2.02 0.21 -2.10 118.70 127.72 1wk4 s GLU 162 Ca -0.00 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.13 1wk4 s GLU 162 Cb -0.14 -2.84 -0.00 0.00 0.10 0.00 0.00 34.13 31.25 1wk4 s GLU 162 CO 0.02 0.21 -0.03 0.08 0.02 0.00 0.00 175.26 175.56 1wk4 s VAL 163 N -2.11 0.20 -0.09 2.63 1.01 0.35 -0.52 120.40 121.87 1wk4 s VAL 163 Ca 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1wk4 s VAL 163 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1wk4 s VAL 163 CO 0.31 0.05 0.01 0.00 0.00 0.00 0.00 175.10 175.47 1wk4 s ALA 164 N -0.06 3.31 -0.20 5.51 0.00 0.20 0.18 121.76 130.70 1wk4 s ALA 164 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1wk4 s ALA 164 Cb -0.01 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.63 1wk4 s ALA 164 CO -0.00 0.59 -0.18 0.71 0.00 0.00 0.00 175.76 176.88 1wk4 s TYR 165 N -0.88 2.87 0.22 0.00 1.51 -0.87 -1.31 117.35 118.89 1wk4 s TYR 165 Ca 0.13 -1.74 -0.20 0.00 -1.01 0.00 0.00 57.07 54.25 1wk4 s TYR 165 Cb -0.11 -1.93 -0.08 0.00 -0.11 0.00 0.00 41.96 39.72 1wk4 s TYR 165 CO 0.02 -0.81 0.74 0.20 -1.11 0.00 0.00 175.55 174.59 1wk4 s GLY 166 N 1.27 2.65 -0.15 0.71 0.00 0.18 -2.16 107.32 109.83 1wk4 s GLY 166 Ca 0.03 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.93 1wk4 s GLY 166 CO -0.11 0.57 -0.03 -1.36 0.00 0.00 0.00 173.10 172.17 1wk4 s PHE 167 N -1.48 1.36 -0.39 1.90 0.40 -1.26 -1.74 117.98 116.77 1wk4 s PHE 167 Ca 0.42 -0.83 -0.27 0.00 -0.60 0.00 0.00 56.93 55.65 1wk4 s PHE 167 Cb -0.17 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1wk4 s PHE 167 CO 0.21 -0.55 2.06 -0.51 0.70 0.00 0.00 175.22 177.14 1wk4 s ASP 168 N 1.75 5.33 0.16 1.36 1.01 -1.26 -4.48 116.67 120.53 1wk4 s ASP 168 Ca 0.02 1.23 0.24 0.00 0.71 0.00 0.00 52.55 54.75 1wk4 s ASP 168 Cb -0.15 -2.52 0.26 0.00 1.01 0.00 0.00 42.92 41.53 1wk4 s ASP 168 CO -0.07 -2.16 1.27 0.25 0.21 0.00 0.00 175.17 174.66 1wk4 h LEU 169 N 15.90 0.00 0.00 1.23 5.85 -1.75 -3.37 115.31 133.16 1wk4 h LEU 169 Ca -0.32 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1wk4 h LEU 169 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1wk4 h LEU 169 CO 1.08 0.07 0.00 0.61 -0.34 0.00 0.00 178.44 179.86 1wk4 n GLY 170 N 1.29 -1.89 0.55 3.75 0.00 0.37 -4.51 105.19 104.74 1wk4 n GLY 170 Ca 0.03 -0.34 0.33 0.00 0.00 0.00 0.00 46.02 46.03 1wk4 n GLY 170 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wk4 h GLY 171 N 0.00 0.00 -3.82 -0.02 0.00 -1.88 -3.42 103.07 93.93 1wk4 h GLY 171 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1wk4 h GLY 171 CO 0.00 0.00 0.02 1.57 0.00 0.00 0.00 176.54 178.13 1wk4 n HIS 172 N -3.47 0.76 -3.57 5.60 -0.00 -1.26 -4.93 115.22 108.35 1wk4 n HIS 172 Ca 0.26 0.58 -0.41 0.00 -0.00 0.00 0.00 57.72 58.15 1wk4 n HIS 172 Cb 1.53 -2.17 -0.11 0.00 -0.00 0.00 0.00 29.99 29.24 1wk4 n HIS 172 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1wk4 s LYS 173 N -1.90 2.97 0.00 1.57 2.47 -1.26 -4.94 119.74 118.65 1wk4 s LYS 173 Ca 0.63 -0.99 0.17 0.00 -1.56 0.00 0.00 55.97 54.22 1wk4 s LYS 173 Cb -0.58 -3.77 0.14 0.00 -1.46 0.00 0.00 37.83 32.16 1wk4 s LYS 173 CO 0.57 -0.66 1.04 0.91 0.16 0.00 0.00 175.35 177.37