#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw1 s ARG 6 N 0.00 3.94 0.19 0.03 1.70 -1.26 -4.92 118.95 118.62 3kw1 s ARG 6 Ca 0.00 0.15 -0.32 0.00 -0.47 0.00 0.00 55.73 55.09 3kw1 s ARG 6 Cb 0.00 -3.70 -0.16 0.00 -0.57 0.00 0.00 34.95 30.53 3kw1 s ARG 6 CO 0.00 -0.42 1.12 0.28 -1.08 0.00 0.00 175.30 175.19 3kw1 n VAL 7 N 5.23 1.06 0.00 4.99 0.31 -1.26 -1.81 118.33 126.85 3kw1 n VAL 7 Ca -0.05 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3kw1 n VAL 7 Cb 0.50 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3kw1 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kw1 n GLY 8 N 1.90 1.35 3.77 2.92 0.00 0.49 -5.02 105.19 110.60 3kw1 n GLY 8 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kw1 n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kw1 s GLU 9 N -0.69 3.69 -0.02 1.61 1.03 -0.75 -4.83 118.70 118.74 3kw1 s GLU 9 Ca 0.00 2.40 0.04 0.00 0.03 0.00 0.00 54.97 57.45 3kw1 s GLU 9 Cb 0.00 -2.65 -0.01 0.00 -0.80 0.00 0.00 34.13 30.67 3kw1 s GLU 9 CO 0.00 -0.81 -0.14 1.03 -1.33 0.00 0.00 175.26 174.01 3kw1 s ARG 10 N -2.45 1.24 -0.06 -4.83 0.52 -1.26 -0.94 118.95 111.16 3kw1 s ARG 10 Ca 0.61 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.35 3kw1 s ARG 10 Cb -0.43 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 33.88 3kw1 s ARG 10 CO 0.56 0.27 -0.16 0.12 0.02 0.00 0.00 175.30 176.10 3kw1 s PHE 11 N -0.20 1.76 -0.04 -0.53 5.36 0.27 -4.98 117.98 119.62 3kw1 s PHE 11 Ca 0.03 -0.62 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 3kw1 s PHE 11 Cb -0.07 -1.22 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 3kw1 s PHE 11 CO 0.00 -0.26 -0.03 0.95 -1.46 0.00 0.00 175.22 174.42 3kw1 s THR 12 N 0.37 3.97 -0.18 0.12 -4.23 -1.26 -1.06 115.64 113.37 3kw1 s THR 12 Ca -0.11 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3kw1 s THR 12 Cb -0.15 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.05 3kw1 s THR 12 CO 0.04 0.51 -0.07 -2.28 -0.54 0.00 0.00 174.62 172.28 3kw1 s HIS 13 N -0.93 1.93 -0.15 3.99 2.46 0.39 -4.97 115.29 118.01 3kw1 s HIS 13 Ca 0.15 -1.25 -0.07 0.00 0.47 0.00 0.00 55.06 54.36 3kw1 s HIS 13 Cb -0.11 -1.42 -0.04 0.00 -0.13 0.00 0.00 32.58 30.88 3kw1 s HIS 13 CO 0.05 -0.66 0.10 -0.51 -2.47 0.00 0.00 174.74 171.25 3kw1 s ASP 14 N 1.56 6.02 -0.12 9.88 1.01 -1.26 -0.26 116.67 133.50 3kw1 s ASP 14 Ca -0.00 0.29 -0.04 0.00 0.71 0.00 0.00 52.55 53.51 3kw1 s ASP 14 Cb -0.16 -1.96 0.06 0.00 1.01 0.00 0.00 42.92 41.87 3kw1 s ASP 14 CO -0.08 0.30 0.19 0.12 0.21 0.00 0.00 175.17 175.92 3kw1 s PHE 15 N -0.41 -0.23 -0.04 4.23 5.36 -0.07 -4.99 117.98 121.82 3kw1 s PHE 15 Ca 0.11 0.59 -0.30 0.00 -0.96 0.00 0.00 56.93 56.37 3kw1 s PHE 15 Cb -0.12 -0.25 -0.02 0.00 -0.34 0.00 0.00 43.02 42.29 3kw1 s PHE 15 CO 0.02 -0.35 0.98 0.08 -1.46 0.00 0.00 175.22 174.48 3kw1 s VAL 16 N 2.32 4.85 -0.22 3.12 1.01 -1.26 -0.35 120.40 129.86 3kw1 s VAL 16 Ca 0.03 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.75 3kw1 s VAL 16 Cb -0.13 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 3kw1 s VAL 16 CO -0.07 0.11 1.42 -0.69 0.00 0.00 0.00 175.10 175.87 3kw1 s VAL 17 N 1.36 3.98 0.62 2.92 1.01 -0.56 -4.91 120.40 124.83 3kw1 s VAL 17 Ca 0.50 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 63.53 3kw1 s VAL 17 Cb -0.20 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 3kw1 s VAL 17 CO 0.24 -0.31 0.98 -2.16 0.00 0.00 0.00 175.10 173.86 3kw1 s PRO 18 N 4.17 3.11 0.61 2.72 0.04 -1.26 0.37 135.00 144.76 3kw1 s PRO 18 Ca 0.62 0.33 0.33 0.00 0.04 0.00 0.00 61.00 62.32 3kw1 s PRO 18 Cb -0.22 -2.16 1.89 0.00 0.04 0.00 0.00 34.50 34.05 3kw1 s PRO 18 CO 0.24 -0.73 2.20 -1.35 0.04 0.00 0.00 177.00 177.39 3kw1 h PRO 19 N -0.32 0.00 -0.81 0.56 0.11 -1.96 -2.62 132.00 126.96 3kw1 h PRO 19 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3kw1 h PRO 19 Cb 1.24 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 3kw1 h PRO 19 CO 0.62 0.00 0.20 -2.39 -0.21 0.00 0.00 178.00 176.23 3kw1 n HIS 20 N -3.57 1.92 -1.43 0.65 1.44 -1.26 -3.87 115.22 109.10 3kw1 n HIS 20 Ca -0.01 -0.95 0.04 0.00 -2.01 0.00 0.00 57.72 54.78 3kw1 n HIS 20 Cb 0.19 -0.57 0.20 0.00 0.12 0.00 0.00 29.99 29.93 3kw1 n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kw1 n LYS 21 N -0.02 1.69 -2.31 -1.40 4.76 -0.99 -4.80 118.16 115.10 3kw1 n LYS 21 Ca 0.31 -3.12 -0.25 0.00 -2.87 0.00 0.00 58.31 52.39 3kw1 n LYS 21 Cb 1.16 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 32.76 3kw1 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kw1 s THR 22 N -3.15 2.27 0.32 -0.18 -4.23 -1.25 -1.95 115.64 107.47 3kw1 s THR 22 Ca 0.39 -0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 3kw1 s THR 22 Cb 0.36 -2.91 0.30 0.00 1.34 0.00 0.00 72.50 71.59 3kw1 s THR 22 CO -0.02 0.00 1.88 1.62 -0.54 0.00 0.00 174.62 177.56 3kw1 h VAL 23 N -0.61 0.94 0.00 2.29 3.04 -1.71 -2.39 116.25 117.80 3kw1 h VAL 23 Ca -0.43 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 64.94 3kw1 h VAL 23 Cb 1.29 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3kw1 h VAL 23 CO 0.53 0.16 -0.14 0.08 -1.01 0.00 0.00 177.57 177.19 3kw1 h ARG 24 N 0.87 0.00 0.00 4.17 0.11 -1.87 -2.51 114.38 115.15 3kw1 h ARG 24 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 3kw1 h ARG 24 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3kw1 h ARG 24 CO -0.19 0.14 -0.34 0.72 0.10 0.00 0.00 179.97 180.39 3kw1 n HIS 25 N -3.39 0.45 -0.16 4.08 8.25 -0.91 -3.13 115.22 120.41 3kw1 n HIS 25 Ca -0.01 0.13 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 3kw1 n HIS 25 Cb 0.32 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 30.80 3kw1 n HIS 25 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kw1 h LEU 26 N 0.00 0.90 -6.86 2.41 5.85 -1.35 -3.38 115.31 112.89 3kw1 h LEU 26 Ca 0.00 -0.37 -0.61 0.00 0.84 0.00 0.00 57.88 57.74 3kw1 h LEU 26 Cb 0.65 -0.25 -0.40 0.00 0.37 0.00 0.00 40.66 41.04 3kw1 h LEU 26 CO 0.00 1.06 -0.74 -0.31 -0.34 0.00 0.00 178.44 178.10 3kw1 s TYR 27 N -4.78 2.31 0.46 1.25 2.02 -1.25 -4.98 117.35 112.38 3kw1 s TYR 27 Ca -0.12 -2.73 0.21 0.00 -0.37 0.00 0.00 57.07 54.05 3kw1 s TYR 27 Cb 0.11 -1.92 1.28 0.00 -0.40 0.00 0.00 41.96 41.03 3kw1 s TYR 27 CO 0.84 -0.71 2.07 -1.35 -1.57 0.00 0.00 175.55 174.83 3kw1 h PRO 28 N 5.96 0.00 -0.97 -1.71 0.11 -1.73 -2.32 132.00 131.34 3kw1 h PRO 28 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 3kw1 h PRO 28 Cb 0.86 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.89 3kw1 h PRO 28 CO 0.54 0.12 0.18 -0.85 -0.21 0.00 0.00 178.00 177.78 3kw1 n GLU 29 N -4.06 1.60 -4.07 1.05 0.00 -1.26 -4.84 120.64 109.07 3kw1 n GLU 29 Ca -0.02 -1.02 -0.33 0.00 0.00 0.00 0.00 57.16 55.78 3kw1 n GLU 29 Cb 0.21 -1.47 -0.15 0.00 0.00 0.00 0.00 31.44 30.02 3kw1 n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kw1 s SER 30 N 0.13 3.76 0.39 -1.84 0.15 -0.87 -4.98 113.70 110.44 3kw1 s SER 30 Ca 0.19 -0.88 0.19 0.00 0.70 0.00 0.00 55.95 56.15 3kw1 s SER 30 Cb 0.16 -1.55 0.78 0.00 -1.71 0.00 0.00 66.02 63.70 3kw1 s SER 30 CO 0.04 -0.08 1.79 -0.65 1.20 0.00 0.00 173.24 175.54 3kw1 h PRO 31 N 7.92 0.00 0.00 5.44 0.11 -1.89 -2.92 132.00 140.66 3kw1 h PRO 31 Ca -0.36 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3kw1 h PRO 31 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kw1 h PRO 31 CO 0.58 0.35 -0.21 0.93 -0.21 0.00 0.00 178.00 179.44 3kw1 h GLU 32 N 0.00 0.00 -0.00 1.05 3.07 -1.96 -3.06 114.58 113.68 3kw1 h GLU 32 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kw1 h GLU 32 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3kw1 h GLU 32 CO 0.05 0.21 -0.87 1.19 -1.40 0.00 0.00 179.01 178.18 3kw1 n PHE 33 N -3.76 0.00 0.28 4.33 0.99 -1.12 -4.56 117.46 113.63 3kw1 n PHE 33 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.60 3kw1 n PHE 33 Cb 0.31 0.00 0.92 0.00 -1.00 0.00 0.00 39.48 39.71 3kw1 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kw1 h ALA 34 N 2.80 1.55 -0.20 4.37 0.00 -1.41 -2.52 119.26 123.86 3kw1 h ALA 34 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kw1 h ALA 34 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kw1 h ALA 34 CO 0.00 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.56 3kw1 n GLU 35 N -3.76 1.90 -1.12 0.00 -0.58 -1.26 -4.95 120.64 110.88 3kw1 n GLU 35 Ca -0.02 -1.65 -0.33 0.00 -0.42 0.00 0.00 57.16 54.74 3kw1 n GLU 35 Cb 0.15 -1.23 0.12 0.00 -0.57 0.00 0.00 31.44 29.91 3kw1 n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kw1 s PHE 36 N -0.94 1.89 0.51 -0.32 2.99 -0.95 -4.98 117.98 116.18 3kw1 s PHE 36 Ca 0.18 1.67 -0.21 0.00 0.00 0.00 0.00 56.93 58.57 3kw1 s PHE 36 Cb 0.10 -3.41 -0.08 0.00 0.00 0.00 0.00 43.02 39.63 3kw1 s PHE 36 CO 0.14 -2.68 0.86 -2.30 -0.00 0.00 0.00 175.22 171.24 3kw1 n PRO 37 N -3.37 0.97 -1.94 0.24 -0.02 -1.26 -4.87 135.00 124.74 3kw1 n PRO 37 Ca 0.13 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3kw1 n PRO 37 Cb 0.51 -1.97 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3kw1 n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kw1 n GLU 38 N -0.24 3.68 -4.29 -0.52 -0.58 -1.26 -4.45 120.64 112.99 3kw1 n GLU 38 Ca 0.11 -3.07 -0.20 0.00 -0.42 0.00 0.00 57.16 53.59 3kw1 n GLU 38 Cb 0.44 -2.92 -0.11 0.00 -0.57 0.00 0.00 31.44 28.27 3kw1 n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kw1 s VAL 39 N 0.99 1.58 0.01 2.62 -7.23 -1.26 -4.35 120.40 112.75 3kw1 s VAL 39 Ca 0.50 -1.86 -0.36 0.00 -1.81 0.00 0.00 61.98 58.44 3kw1 s VAL 39 Cb 0.14 -1.73 -0.15 0.00 0.56 0.00 0.00 36.38 35.20 3kw1 s VAL 39 CO -0.05 -0.40 1.56 0.33 -0.31 0.00 0.00 175.10 176.23 3kw1 n PHE 40 N 0.32 1.92 -2.66 2.82 -0.00 -0.30 -2.54 117.46 117.03 3kw1 n PHE 40 Ca -0.14 0.44 -0.37 0.00 -0.00 0.00 0.00 57.45 57.38 3kw1 n PHE 40 Cb 0.57 -2.46 -0.05 0.00 -0.00 0.00 0.00 39.48 37.55 3kw1 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kw1 s ALA 41 N 1.71 3.16 0.22 3.13 0.00 -0.82 -4.80 121.76 124.35 3kw1 s ALA 41 Ca 0.87 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 53.37 3kw1 s ALA 41 Cb -0.87 -3.23 0.30 0.00 0.00 0.00 0.00 23.12 19.32 3kw1 s ALA 41 CO 0.49 -0.02 1.79 1.15 0.00 0.00 0.00 175.76 179.17 3kw1 h THR 42 N 2.42 0.90 -0.97 0.00 2.02 -1.93 -0.31 112.91 115.05 3kw1 h THR 42 Ca -0.48 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 66.52 3kw1 h THR 42 Cb 1.20 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 3kw1 h THR 42 CO 0.64 0.12 0.63 1.23 0.37 0.00 0.00 175.52 178.51 3kw1 h GLY 43 N 0.65 1.41 1.14 2.16 0.00 -1.98 0.17 103.07 106.62 3kw1 h GLY 43 Ca 0.33 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 3kw1 h GLY 43 CO -0.23 0.40 -0.53 0.74 0.00 0.00 0.00 176.54 176.92 3kw1 h PHE 44 N 1.21 1.10 -0.69 5.60 0.04 -1.69 -2.04 116.94 120.47 3kw1 h PHE 44 Ca 0.39 -0.39 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3kw1 h PHE 44 Cb 0.04 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 37.91 3kw1 h PHE 44 CO -0.00 1.22 0.36 1.98 -0.60 0.00 0.00 178.31 181.27 3kw1 h MET 45 N 0.67 0.61 -0.71 1.51 4.05 -0.68 -0.66 114.93 119.72 3kw1 h MET 45 Ca 0.02 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3kw1 h MET 45 Cb 1.14 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.77 3kw1 h MET 45 CO 0.12 0.40 0.36 0.28 0.23 0.00 0.00 176.91 178.30 3kw1 h VAL 46 N 0.62 1.23 -0.22 -5.77 2.07 -0.64 -0.14 116.25 113.40 3kw1 h VAL 46 Ca 0.33 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3kw1 h VAL 46 Cb 0.30 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3kw1 h VAL 46 CO -0.24 0.26 -0.22 1.23 0.02 0.00 0.00 177.57 178.62 3kw1 h GLY 47 N 0.98 0.43 1.35 2.17 0.00 -0.88 -1.25 103.07 105.87 3kw1 h GLY 47 Ca 0.25 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 3kw1 h GLY 47 CO -0.03 0.30 -0.69 -2.00 0.00 0.00 0.00 176.54 174.12 3kw1 h LEU 48 N 0.36 0.76 -0.40 3.11 5.85 -0.74 -0.57 115.31 123.69 3kw1 h LEU 48 Ca 0.06 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3kw1 h LEU 48 Cb 0.59 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3kw1 h LEU 48 CO 0.04 1.23 0.14 0.24 -0.34 0.00 0.00 178.44 179.76 3kw1 h MET 49 N 0.47 0.30 -0.16 1.25 2.86 -0.84 -1.45 114.93 117.35 3kw1 h MET 49 Ca -0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kw1 h MET 49 Cb 1.28 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 3kw1 h MET 49 CO 0.13 0.20 0.02 0.93 1.06 0.00 0.00 176.91 179.25 3kw1 h GLU 50 N 0.30 0.08 -1.01 1.72 5.08 -1.12 -2.34 114.58 117.30 3kw1 h GLU 50 Ca 0.18 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3kw1 h GLU 50 Cb 0.16 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3kw1 h GLU 50 CO -0.18 0.05 0.67 2.35 -1.00 0.00 0.00 179.01 180.89 3kw1 h TRP 51 N 0.08 1.26 -0.64 4.33 7.01 -0.95 0.21 115.95 127.24 3kw1 h TRP 51 Ca 0.07 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3kw1 h TRP 51 Cb 0.08 -0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 3kw1 h TRP 51 CO -0.14 0.77 0.40 0.00 -2.79 0.00 0.00 178.44 176.68 3kw1 h ALA 52 N 1.38 0.81 -0.12 2.65 0.00 -0.89 -1.85 119.26 121.25 3kw1 h ALA 52 Ca 0.38 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3kw1 h ALA 52 Cb -0.11 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.43 3kw1 h ALA 52 CO -0.09 0.27 -0.79 0.00 0.00 0.00 0.00 179.25 178.64 3kw1 h VAL 54 N 0.45 0.87 0.22 0.00 2.07 -0.48 -1.44 116.25 117.95 3kw1 h VAL 54 Ca -0.07 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3kw1 h VAL 54 Cb 1.43 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kw1 h VAL 54 CO 0.16 0.13 -0.11 0.03 0.02 0.00 0.00 177.57 177.81 3kw1 h ARG 55 N 0.71 -0.28 -0.87 1.57 3.08 -1.23 -2.78 114.38 114.57 3kw1 h ARG 55 Ca 0.38 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.60 3kw1 h ARG 55 Cb 0.39 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 3kw1 h ARG 55 CO -0.26 -0.09 0.56 0.00 -1.07 0.00 0.00 179.97 179.11 3kw1 h ALA 56 N 0.33 1.92 -0.02 0.04 0.00 -1.06 -2.97 119.26 117.51 3kw1 h ALA 56 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kw1 h ALA 56 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kw1 h ALA 56 CO 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 179.25 179.00 3kw1 n MET 57 N -4.54 1.51 -0.14 0.00 0.00 -0.57 -4.38 117.12 109.00 3kw1 n MET 57 Ca 0.17 -1.05 0.05 0.00 0.00 0.00 0.00 57.70 56.88 3kw1 n MET 57 Cb 0.50 -1.48 0.36 0.00 0.00 0.00 0.00 33.22 32.61 3kw1 n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kw1 h ALA 58 N 4.18 1.69 0.00 3.17 0.00 -1.32 0.25 119.26 127.22 3kw1 h ALA 58 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kw1 h ALA 58 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kw1 h ALA 58 CO 0.00 0.23 0.00 -2.30 0.00 0.00 0.00 179.25 177.18 3kw1 n PRO 59 N -4.47 0.14 0.11 0.00 -0.02 -1.26 -2.83 135.00 126.66 3kw1 n PRO 59 Ca 0.08 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 3kw1 n PRO 59 Cb 0.17 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3kw1 n PRO 59 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3kw1 h TYR 60 N 0.00 0.00 -3.92 6.00 3.20 -1.26 -3.48 116.97 117.51 3kw1 h TYR 60 Ca 0.00 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.35 3kw1 h TYR 60 Cb 0.07 0.00 0.07 0.00 1.54 0.00 0.00 36.73 38.41 3kw1 h TYR 60 CO 0.00 0.11 0.58 -0.51 -1.64 0.00 0.00 178.16 176.71 3kw1 s LEU 61 N -5.56 4.30 0.15 2.82 1.43 -1.13 -5.05 118.68 115.64 3kw1 s LEU 61 Ca 0.00 2.56 0.03 0.00 -1.03 0.00 0.00 54.13 55.69 3kw1 s LEU 61 Cb 0.09 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3kw1 s LEU 61 CO 0.78 -0.66 0.28 -1.61 0.23 0.00 0.00 176.35 175.37 3kw1 s GLU 62 N -2.06 3.42 0.35 1.70 0.41 -1.26 -5.00 118.70 116.26 3kw1 s GLU 62 Ca 0.54 -0.61 -0.27 0.00 -0.41 0.00 0.00 54.97 54.21 3kw1 s GLU 62 Cb -0.36 -2.95 -0.12 0.00 -1.78 0.00 0.00 34.13 28.91 3kw1 s GLU 62 CO 0.47 0.52 1.23 -2.30 -0.49 0.00 0.00 175.26 174.69 3kw1 n PRO 63 N -0.55 1.96 -0.98 0.39 -0.02 -1.26 -1.20 135.00 133.33 3kw1 n PRO 63 Ca -0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3kw1 n PRO 63 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kw1 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kw1 n GLY 64 N 0.86 0.84 3.86 -1.23 0.00 -1.26 -5.03 105.19 103.22 3kw1 n GLY 64 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3kw1 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kw1 s GLU 65 N -0.02 3.32 0.00 1.61 2.02 -0.34 -4.45 118.70 120.84 3kw1 s GLU 65 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.63 3kw1 s GLU 65 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3kw1 s GLU 65 CO 0.00 0.68 0.00 0.41 0.02 0.00 0.00 175.26 176.37 3kw1 n GLY 66 N 1.11 5.96 3.01 -1.39 0.00 0.73 -4.79 105.19 109.82 3kw1 n GLY 66 Ca -0.12 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 3kw1 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kw1 s SER 67 N 1.00 0.30 0.14 1.61 1.04 -1.26 -0.40 113.70 116.14 3kw1 s SER 67 Ca 0.00 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 55.89 3kw1 s SER 67 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3kw1 s SER 67 CO 0.00 -0.37 -0.16 -0.76 0.98 0.00 0.00 173.24 172.93 3kw1 s LEU 68 N -1.79 2.42 -0.04 2.42 1.43 0.11 -4.89 118.68 118.33 3kw1 s LEU 68 Ca -0.11 -0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 51.89 3kw1 s LEU 68 Cb -0.06 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3kw1 s LEU 68 CO -0.03 -0.08 0.88 -0.83 0.23 0.00 0.00 176.35 176.52 3kw1 s GLY 69 N -2.54 2.75 -0.00 -3.19 0.00 -1.26 -0.57 107.32 102.50 3kw1 s GLY 69 Ca 0.12 0.37 0.10 0.00 0.00 0.00 0.00 44.72 45.31 3kw1 s GLY 69 CO 0.05 1.53 0.36 -1.30 0.00 0.00 0.00 173.10 173.73 3kw1 n THR 70 N 3.93 0.00 -3.58 0.90 -2.24 -0.26 -4.94 114.28 108.10 3kw1 n THR 70 Ca 0.04 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 3kw1 n THR 70 Cb 0.51 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 3kw1 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kw1 s ALA 71 N -2.10 -1.91 -0.09 6.98 0.00 -1.21 -4.97 121.76 118.45 3kw1 s ALA 71 Ca 0.02 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 3kw1 s ALA 71 Cb 0.07 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.53 3kw1 s ALA 71 CO 0.39 -0.31 0.22 -1.50 0.00 0.00 0.00 175.76 174.57 3kw1 s ILE 72 N -0.99 -0.02 -0.29 0.00 1.10 -1.26 -1.72 121.20 118.01 3kw1 s ILE 72 Ca -0.03 0.07 -0.03 0.00 -0.51 0.00 0.00 60.65 60.16 3kw1 s ILE 72 Cb -0.01 -0.33 0.11 0.00 0.15 0.00 0.00 42.46 42.38 3kw1 s ILE 72 CO 0.02 0.03 0.17 0.00 -2.11 0.00 0.00 174.94 173.05 3kw1 s VAL 74 N 2.16 0.47 0.38 0.00 -7.23 -1.26 0.36 120.40 115.29 3kw1 s VAL 74 Ca 0.09 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 3kw1 s VAL 74 Cb -0.16 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 3kw1 s VAL 74 CO -0.36 -0.29 0.65 0.42 -0.31 0.00 0.00 175.10 175.22 3kw1 s THR 75 N -1.12 4.98 -0.31 5.32 -4.23 -0.57 -4.94 115.64 114.77 3kw1 s THR 75 Ca -0.08 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.45 3kw1 s THR 75 Cb -0.08 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.04 3kw1 s THR 75 CO 0.00 -0.58 0.09 -2.28 -0.54 0.00 0.00 174.62 171.31 3kw1 s HIS 76 N -2.40 1.99 -0.19 3.99 2.46 -1.26 -3.21 115.29 116.68 3kw1 s HIS 76 Ca 0.45 -1.90 0.10 0.00 0.47 0.00 0.00 55.06 54.17 3kw1 s HIS 76 Cb -0.10 -1.88 -0.14 0.00 -0.13 0.00 0.00 32.58 30.34 3kw1 s HIS 76 CO 0.37 -0.89 0.30 0.25 -2.47 0.00 0.00 174.74 172.30 3kw1 n THR 77 N 4.77 0.00 -3.97 0.89 -2.24 0.11 -4.96 114.28 108.87 3kw1 n THR 77 Ca -0.01 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3kw1 n THR 77 Cb 0.42 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.10 3kw1 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kw1 s ALA 78 N -2.39 0.08 0.05 6.98 0.00 -1.22 -4.98 121.76 120.27 3kw1 s ALA 78 Ca -0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3kw1 s ALA 78 Cb 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3kw1 s ALA 78 CO 0.41 -0.21 0.36 0.00 0.00 0.00 0.00 175.76 176.32 3kw1 s ALA 79 N -1.90 3.76 -0.22 0.00 0.00 -1.26 -4.73 121.76 117.42 3kw1 s ALA 79 Ca -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3kw1 s ALA 79 Cb -0.06 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.88 3kw1 s ALA 79 CO -0.02 0.58 -0.11 0.99 0.00 0.00 0.00 175.76 177.20 3kw1 s THR 80 N -1.33 1.80 0.72 0.00 2.01 -1.26 -5.01 115.64 112.56 3kw1 s THR 80 Ca 0.30 -1.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.00 3kw1 s THR 80 Cb -0.14 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.51 3kw1 s THR 80 CO 0.17 0.11 1.07 -2.16 -0.69 0.00 0.00 174.62 173.12 3kw1 s PRO 81 N 1.31 2.71 0.50 4.92 0.04 -1.26 -1.15 135.00 142.07 3kw1 s PRO 81 Ca -0.03 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 3kw1 s PRO 81 Cb -0.17 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3kw1 s PRO 81 CO -0.08 -1.27 0.68 -2.30 0.04 0.00 0.00 177.00 174.07 3kw1 n PRO 82 N -3.25 0.74 0.00 0.56 -0.02 -1.26 -3.51 135.00 128.26 3kw1 n PRO 82 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3kw1 n PRO 82 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3kw1 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kw1 n GLY 83 N 1.60 2.93 3.84 -1.23 0.00 0.16 -4.98 105.19 107.51 3kw1 n GLY 83 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3kw1 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kw1 s LEU 84 N 0.00 3.65 -0.27 0.99 1.02 -1.23 -4.69 118.68 118.15 3kw1 s LEU 84 Ca 0.00 1.56 -0.20 0.00 0.02 0.00 0.00 54.13 55.51 3kw1 s LEU 84 Cb 0.00 -4.49 -0.02 0.00 0.02 0.00 0.00 46.19 41.70 3kw1 s LEU 84 CO 0.00 -0.56 0.60 -0.89 0.02 0.00 0.00 176.35 175.51 3kw1 s THR 85 N -2.59 5.00 -0.12 5.49 2.01 -1.26 -1.49 115.64 122.68 3kw1 s THR 85 Ca 0.59 0.98 -0.18 0.00 0.31 0.00 0.00 61.69 63.39 3kw1 s THR 85 Cb -0.10 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3kw1 s THR 85 CO 0.30 -0.00 0.48 -0.69 -0.69 0.00 0.00 174.62 174.02 3kw1 s VAL 86 N 2.48 5.18 -0.23 3.82 1.01 0.52 -3.85 120.40 129.34 3kw1 s VAL 86 Ca 0.24 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 3kw1 s VAL 86 Cb -0.15 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3kw1 s VAL 86 CO 0.09 0.32 -0.00 -0.89 0.00 0.00 0.00 175.10 174.62 3kw1 s THR 87 N 0.69 3.75 -0.08 3.92 2.01 0.48 -0.90 115.64 125.52 3kw1 s THR 87 Ca 0.26 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 3kw1 s THR 87 Cb -0.15 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 3kw1 s THR 87 CO 0.10 0.40 0.33 -0.69 -0.69 0.00 0.00 174.62 174.07 3kw1 s VAL 88 N 1.46 5.21 -0.21 3.82 1.01 0.65 -1.90 120.40 130.45 3kw1 s VAL 88 Ca 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 3kw1 s VAL 88 Cb -0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3kw1 s VAL 88 CO -0.00 0.52 -0.02 -0.89 0.00 0.00 0.00 175.10 174.70 3kw1 s THR 89 N -0.52 3.66 -0.21 3.92 2.01 0.71 -0.46 115.64 124.76 3kw1 s THR 89 Ca 0.20 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3kw1 s THR 89 Cb -0.15 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 3kw1 s THR 89 CO 0.09 0.43 -0.07 0.00 -0.69 0.00 0.00 174.62 174.37 3kw1 s ALA 90 N 1.20 2.73 -0.25 7.40 0.00 -0.22 -1.81 121.76 130.82 3kw1 s ALA 90 Ca 0.03 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.87 3kw1 s ALA 90 Cb -0.14 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.44 3kw1 s ALA 90 CO 0.00 -0.35 -0.12 -2.00 0.00 0.00 0.00 175.76 173.29 3kw1 s GLU 91 N 1.33 2.37 -0.07 0.00 -6.30 0.12 -0.57 118.70 115.59 3kw1 s GLU 91 Ca 0.04 -1.26 -0.30 0.00 -2.50 0.00 0.00 54.97 50.95 3kw1 s GLU 91 Cb -0.14 -2.84 -0.06 0.00 0.00 0.00 0.00 34.13 31.09 3kw1 s GLU 91 CO -0.04 -0.51 1.72 -1.17 0.02 0.00 0.00 175.26 175.28 3kw1 s LEU 92 N 1.14 4.25 -0.19 2.70 2.96 -0.12 -0.17 118.68 129.25 3kw1 s LEU 92 Ca -0.07 2.21 -0.15 0.00 -0.22 0.00 0.00 54.13 55.91 3kw1 s LEU 92 Cb -0.19 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.76 3kw1 s LEU 92 CO -0.06 -1.03 0.18 0.54 -1.32 0.00 0.00 176.35 174.66 3kw1 n ARG 93 N 7.32 0.64 -3.65 1.98 1.74 0.10 -0.38 116.66 124.41 3kw1 n ARG 93 Ca 0.18 0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 57.54 3kw1 n ARG 93 Cb 0.43 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 3kw1 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kw1 s SER 94 N -6.97 -0.37 -0.09 0.55 1.04 -1.07 -4.81 113.70 101.98 3kw1 s SER 94 Ca -0.28 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 3kw1 s SER 94 Cb 0.07 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3kw1 s SER 94 CO 0.64 -0.56 -0.05 -0.69 0.98 0.00 0.00 173.24 173.55 3kw1 s VAL 95 N -1.63 0.80 -0.34 5.02 1.01 -1.26 -1.67 120.40 122.32 3kw1 s VAL 95 Ca -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3kw1 s VAL 95 Cb -0.02 -0.85 0.12 0.00 0.00 0.00 0.00 36.38 35.63 3kw1 s VAL 95 CO 0.04 0.32 0.18 -1.61 0.00 0.00 0.00 175.10 174.03 3kw1 s GLU 96 N 1.67 0.60 7.81 2.72 2.02 0.09 -5.01 118.70 128.59 3kw1 s GLU 96 Ca 0.03 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.81 3kw1 s GLU 96 Cb -0.13 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.59 3kw1 s GLU 96 CO -0.06 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.50 3kw1 n GLY 97 N 4.36 3.05 0.22 -1.39 0.00 -1.26 -2.09 105.19 108.09 3kw1 n GLY 97 Ca 0.05 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.05 3kw1 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kw1 n ARG 98 N 11.68 1.13 -4.35 1.61 1.74 -1.26 -4.87 116.66 122.34 3kw1 n ARG 98 Ca 0.00 -0.45 -0.33 0.00 -0.77 0.00 0.00 57.85 56.29 3kw1 n ARG 98 Cb 0.00 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 29.80 3kw1 n ARG 98 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3kw1 s ARG 99 N -2.19 3.19 -0.01 5.56 3.52 -0.89 -0.56 118.95 127.58 3kw1 s ARG 99 Ca 0.37 -0.75 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 3kw1 s ARG 99 Cb 0.21 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 3kw1 s ARG 99 CO 0.40 -0.07 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.14 3kw1 s LEU 100 N 1.02 2.05 0.02 -0.88 1.02 -0.69 -0.73 118.68 120.50 3kw1 s LEU 100 Ca -0.01 -0.34 0.04 0.00 0.02 0.00 0.00 54.13 53.84 3kw1 s LEU 100 Cb -0.15 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.14 3kw1 s LEU 100 CO -0.03 0.21 -0.13 -0.44 0.02 0.00 0.00 176.35 175.97 3kw1 s SER 101 N -0.51 1.56 0.09 2.29 0.01 -0.67 -0.75 113.70 115.72 3kw1 s SER 101 Ca 0.07 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.02 3kw1 s SER 101 Cb -0.07 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 3kw1 s SER 101 CO -0.00 0.07 -0.19 0.26 0.41 0.00 0.00 173.24 173.79 3kw1 s TRP 102 N -0.68 1.59 -0.12 2.43 0.52 0.61 -0.72 118.94 122.58 3kw1 s TRP 102 Ca 0.02 -0.43 -0.13 0.00 0.02 0.00 0.00 56.10 55.58 3kw1 s TRP 102 Cb -0.07 -0.88 -0.05 0.00 -1.15 0.00 0.00 33.47 31.32 3kw1 s TRP 102 CO 0.01 0.15 0.30 0.50 0.02 0.00 0.00 176.95 177.92 3kw1 s ARG 103 N -1.83 4.04 0.06 4.98 3.52 0.75 -2.36 118.95 128.12 3kw1 s ARG 103 Ca 0.04 0.14 0.07 0.00 -0.13 0.00 0.00 55.73 55.84 3kw1 s ARG 103 Cb -0.10 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3kw1 s ARG 103 CO 0.03 0.44 -0.15 0.14 -0.81 0.00 0.00 175.30 174.95 3kw1 s VAL 104 N -0.15 3.00 -0.17 7.11 -7.23 -0.68 -0.70 120.40 121.57 3kw1 s VAL 104 Ca 0.18 -1.23 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 3kw1 s VAL 104 Cb -0.14 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.53 3kw1 s VAL 104 CO 0.06 0.25 0.44 -0.55 -0.31 0.00 0.00 175.10 175.00 3kw1 s SER 105 N -1.73 -0.50 -0.02 4.85 0.15 -0.75 -1.02 113.70 114.70 3kw1 s SER 105 Ca 0.17 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.75 3kw1 s SER 105 Cb -0.11 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 3kw1 s SER 105 CO 0.08 -0.17 -0.06 0.00 1.20 0.00 0.00 173.24 174.29 3kw1 s ALA 106 N 0.63 0.60 0.02 5.45 0.00 0.11 -0.20 121.76 128.36 3kw1 s ALA 106 Ca -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3kw1 s ALA 106 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3kw1 s ALA 106 CO -0.04 0.10 -0.05 -3.38 0.00 0.00 0.00 175.76 172.39 3kw1 s HIS 107 N 0.13 0.42 -1.61 0.00 -3.43 -0.80 -0.70 115.29 109.30 3kw1 s HIS 107 Ca -0.01 -0.27 0.18 0.00 -0.80 0.00 0.00 55.06 54.16 3kw1 s HIS 107 Cb -0.06 -0.27 0.53 0.00 -1.43 0.00 0.00 32.58 31.35 3kw1 s HIS 107 CO -0.00 -0.06 1.44 -0.40 -2.00 0.00 0.00 174.74 173.72 3kw1 n ASP 108 N 2.29 3.60 0.00 7.38 5.68 -0.81 -0.39 116.55 134.30 3kw1 n ASP 108 Ca -0.18 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 3kw1 n ASP 108 Cb 0.57 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3kw1 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kw1 n GLY 109 N 1.25 0.97 0.42 6.12 0.00 -1.25 -4.01 105.19 108.70 3kw1 n GLY 109 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3kw1 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kw1 n VAL 110 N -2.00 0.00 -4.06 1.61 0.31 -1.26 -5.10 118.33 107.83 3kw1 n VAL 110 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3kw1 n VAL 110 Cb 0.00 -0.73 -0.11 0.00 -0.91 0.00 0.00 33.84 32.09 3kw1 n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kw1 s ASP 111 N -4.23 0.66 0.20 4.52 1.01 -1.26 -5.11 116.67 112.45 3kw1 s ASP 111 Ca 0.00 -0.66 -0.30 0.00 0.71 0.00 0.00 52.55 52.30 3kw1 s ASP 111 Cb 0.00 0.09 -0.09 0.00 1.01 0.00 0.00 42.92 43.93 3kw1 s ASP 111 CO 0.00 -0.32 1.37 -0.70 0.21 0.00 0.00 175.17 175.73 3kw1 s GLU 112 N -2.19 4.33 -0.01 8.23 2.12 -1.26 -1.92 118.70 128.01 3kw1 s GLU 112 Ca -0.06 2.14 0.12 0.00 0.36 0.00 0.00 54.97 57.53 3kw1 s GLU 112 Cb -0.05 -3.18 -0.16 0.00 0.26 0.00 0.00 34.13 31.00 3kw1 s GLU 112 CO -0.02 -0.35 0.36 0.44 -0.54 0.00 0.00 175.26 175.15 3kw1 n ILE 113 N 2.83 0.00 0.00 -3.70 -5.35 0.12 -3.96 119.36 109.30 3kw1 n ILE 113 Ca 0.08 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3kw1 n ILE 113 Cb 0.42 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 3kw1 n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kw1 n GLY 114 N 1.59 1.46 3.55 3.28 0.00 -1.15 0.05 105.19 113.98 3kw1 n GLY 114 Ca -0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 3kw1 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kw1 s SER 115 N 0.00 -0.35 0.00 1.61 1.04 -1.20 -0.72 113.70 114.08 3kw1 s SER 115 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3kw1 s SER 115 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3kw1 s SER 115 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3kw1 n GLY 116 N -0.32 -0.30 3.21 7.32 0.00 -0.18 -1.52 105.19 113.40 3kw1 n GLY 116 Ca -0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 3kw1 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kw1 s THR 117 N -2.56 0.49 -0.19 2.61 -4.23 0.16 -1.68 115.64 110.23 3kw1 s THR 117 Ca 0.00 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 3kw1 s THR 117 Cb 0.00 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.80 3kw1 s THR 117 CO 0.00 -0.47 0.50 -2.28 -0.54 0.00 0.00 174.62 171.83 3kw1 s HIS 118 N -3.78 -0.61 0.04 3.99 5.04 -1.00 -1.10 115.29 117.87 3kw1 s HIS 118 Ca 0.24 1.41 0.08 0.00 -1.54 0.00 0.00 55.06 55.25 3kw1 s HIS 118 Cb 0.07 0.24 -0.03 0.00 0.04 0.00 0.00 32.58 32.90 3kw1 s HIS 118 CO 0.03 -0.30 -0.24 -1.21 -2.34 0.00 0.00 174.74 170.68 3kw1 s GLU 119 N 0.60 1.64 0.13 2.88 8.01 -0.70 -0.28 118.70 130.97 3kw1 s GLU 119 Ca -0.03 -1.00 0.05 0.00 0.01 0.00 0.00 54.97 54.01 3kw1 s GLU 119 Cb -0.05 -1.76 -0.04 0.00 -4.31 0.00 0.00 34.13 27.98 3kw1 s GLU 119 CO -0.04 0.46 -0.12 1.03 0.01 0.00 0.00 175.26 176.60 3kw1 s ARG 120 N -1.11 1.01 -0.06 1.61 0.52 0.07 -1.10 118.95 119.90 3kw1 s ARG 120 Ca 0.10 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.02 3kw1 s ARG 120 Cb -0.09 -0.72 -0.00 0.00 0.52 0.00 0.00 34.95 34.65 3kw1 s ARG 120 CO 0.01 0.12 -0.18 0.00 0.02 0.00 0.00 175.30 175.27 3kw1 s ALA 121 N -2.71 1.62 0.13 2.13 0.00 0.26 -1.70 121.76 121.50 3kw1 s ALA 121 Ca 0.12 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 3kw1 s ALA 121 Cb -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 3kw1 s ALA 121 CO 0.02 0.26 1.19 0.08 0.00 0.00 0.00 175.76 177.31 3kw1 s VAL 122 N 0.18 3.80 0.17 0.00 1.01 0.28 0.06 120.40 125.90 3kw1 s VAL 122 Ca -0.08 1.41 0.11 0.00 0.00 0.00 0.00 61.98 63.41 3kw1 s VAL 122 Cb -0.13 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3kw1 s VAL 122 CO 0.04 0.18 -0.23 0.27 0.00 0.00 0.00 175.10 175.35 3kw1 s ILE 123 N 0.42 2.18 -0.43 2.22 -4.36 0.47 -4.91 121.20 116.79 3kw1 s ILE 123 Ca 0.55 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 3kw1 s ILE 123 Cb -0.31 -2.01 0.18 0.00 1.25 0.00 0.00 42.46 41.57 3kw1 s ILE 123 CO 0.33 -0.13 1.03 1.57 0.24 0.00 0.00 174.94 177.98 3kw1 n HIS 124 N 0.40 0.64 0.00 1.37 -0.00 -1.26 -0.19 115.22 116.17 3kw1 n HIS 124 Ca -0.14 -0.53 0.00 0.00 -0.00 0.00 0.00 57.72 57.05 3kw1 n HIS 124 Cb 0.56 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 3kw1 n HIS 124 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 3kw1 n LEU 125 N 0.12 0.00 -0.18 0.27 -0.00 -1.26 -2.67 117.00 113.28 3kw1 n LEU 125 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.02 3kw1 n LEU 125 Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.08 3kw1 n LEU 125 CO 0.12 0.00 0.76 -0.08 -0.00 0.00 0.00 177.39 178.19 3kw1 h GLU 126 N 7.46 0.99 -0.37 1.47 4.57 -1.94 -0.73 114.58 126.04 3kw1 h GLU 126 Ca 0.00 -0.35 -0.13 0.00 -1.18 0.00 0.00 59.36 57.69 3kw1 h GLU 126 Cb 0.00 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3kw1 h GLU 126 CO 0.00 1.03 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.35 3kw1 h LYS 127 N 0.87 0.84 0.06 1.92 3.64 -1.93 -2.53 116.57 119.44 3kw1 h LYS 127 Ca 0.14 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3kw1 h LYS 127 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3kw1 h LYS 127 CO 0.04 1.06 -0.03 0.35 -2.27 0.00 0.00 179.45 178.60 3kw1 h PHE 128 N 0.64 -0.07 -0.89 1.91 3.57 -1.36 -1.07 116.94 119.67 3kw1 h PHE 128 Ca 0.07 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3kw1 h PHE 128 Cb 0.87 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 3kw1 h PHE 128 CO 0.06 0.31 0.58 -0.91 -2.23 0.00 0.00 178.31 176.12 3kw1 h ASN 129 N -0.47 0.85 -0.56 0.41 2.35 -1.20 0.23 115.58 117.18 3kw1 h ASN 129 Ca -0.01 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3kw1 h ASN 129 Cb 0.42 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3kw1 h ASN 129 CO 0.01 0.53 -0.07 0.00 -1.65 0.00 0.00 177.43 176.26 3kw1 h ALA 130 N 1.53 0.80 -0.76 -0.83 0.00 -1.35 -0.04 119.26 118.61 3kw1 h ALA 130 Ca 0.39 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kw1 h ALA 130 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3kw1 h ALA 130 CO -0.16 0.67 0.34 0.87 0.00 0.00 0.00 179.25 180.97 3kw1 h LYS 131 N 0.94 1.11 0.12 0.00 1.57 -0.23 -2.56 116.57 117.52 3kw1 h LYS 131 Ca 0.15 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3kw1 h LYS 131 Cb 0.63 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kw1 h LYS 131 CO 0.04 0.88 -0.06 0.28 -0.57 0.00 0.00 179.45 180.02 3kw1 h VAL 132 N 1.09 1.02 -1.06 0.50 2.07 -0.37 -2.76 116.25 116.75 3kw1 h VAL 132 Ca 0.26 -0.57 0.29 0.00 0.82 0.00 0.00 66.70 67.50 3kw1 h VAL 132 Cb 0.15 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.19 3kw1 h VAL 132 CO -0.03 0.14 0.65 0.03 0.02 0.00 0.00 177.57 178.38 3kw1 h ARG 133 N -0.42 0.39 -0.97 1.57 -0.00 -0.96 -1.57 114.38 112.42 3kw1 h ARG 133 Ca -0.02 -0.02 0.11 0.00 -0.50 0.00 0.00 59.98 59.55 3kw1 h ARG 133 Cb 0.34 -0.09 -0.08 0.00 0.00 0.00 0.00 29.97 30.15 3kw1 h ARG 133 CO 0.03 0.26 0.62 1.96 0.00 0.00 0.00 179.97 182.83 3kw1 h GLN 134 N 0.40 0.95 -0.04 0.04 4.20 -1.15 -2.22 115.11 117.31 3kw1 h GLN 134 Ca 0.66 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.31 3kw1 h GLN 134 Cb 1.57 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.13 3kw1 h GLN 134 CO -0.41 0.63 0.00 0.36 -0.67 0.00 0.00 178.83 178.74 3kw1 n LYS 135 N -4.57 1.97 -1.97 1.46 2.85 -0.62 -4.91 118.16 112.36 3kw1 n LYS 135 Ca 0.17 -1.41 -0.42 0.00 -1.05 0.00 0.00 58.31 55.61 3kw1 n LYS 135 Cb 0.32 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.20 3kw1 n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kw1 s THR 136 N -1.98 3.00 -2.00 0.58 2.01 -0.84 -5.14 115.64 111.28 3kw1 s THR 136 Ca 0.34 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.94 3kw1 s THR 136 Cb 0.21 -3.35 0.16 0.00 0.01 0.00 0.00 72.50 69.52 3kw1 s THR 136 CO 0.32 0.01 0.81 -0.81 -0.69 0.00 0.00 174.62 174.26