#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx7 s ARG 6 N 0.00 3.46 0.31 0.03 1.70 -1.26 -5.06 118.95 118.13 3kx7 s ARG 6 Ca 0.00 -0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 3kx7 s ARG 6 Cb 0.00 -2.91 -0.12 0.00 -0.57 0.00 0.00 34.95 31.35 3kx7 s ARG 6 CO 0.00 0.00 1.40 0.28 -1.08 0.00 0.00 175.30 175.90 3kx7 n VAL 7 N 4.20 1.57 0.00 4.99 0.31 -1.26 -2.65 118.33 125.49 3kx7 n VAL 7 Ca -0.18 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3kx7 n VAL 7 Cb 0.52 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 3kx7 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kx7 n GLY 8 N 1.31 1.79 3.74 2.92 0.00 0.64 -4.99 105.19 110.59 3kx7 n GLY 8 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kx7 n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kx7 s GLU 9 N -0.55 4.49 -0.05 1.61 -1.05 -1.08 -4.80 118.70 117.27 3kx7 s GLU 9 Ca 0.00 1.92 -0.03 0.00 -0.15 0.00 0.00 54.97 56.71 3kx7 s GLU 9 Cb 0.00 -3.21 -0.04 0.00 -0.44 0.00 0.00 34.13 30.44 3kx7 s GLU 9 CO 0.00 -0.08 0.12 1.03 0.95 0.00 0.00 175.26 177.28 3kx7 s ARG 10 N -0.50 3.27 -0.05 -4.83 0.52 -1.26 -2.50 118.95 113.60 3kx7 s ARG 10 Ca 0.52 -0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.44 3kx7 s ARG 10 Cb -0.34 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.12 3kx7 s ARG 10 CO 0.39 0.70 -0.17 -0.06 0.02 0.00 0.00 175.30 176.17 3kx7 s PHE 11 N -1.16 1.74 0.10 -0.53 0.40 0.02 -4.97 117.98 113.59 3kx7 s PHE 11 Ca 0.21 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3kx7 s PHE 11 Cb -0.12 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 3kx7 s PHE 11 CO 0.11 -0.20 0.16 0.95 0.70 0.00 0.00 175.22 176.94 3kx7 s THR 12 N 0.14 4.88 -0.07 0.64 -4.23 -1.26 -0.90 115.64 114.84 3kx7 s THR 12 Ca -0.06 -0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 3kx7 s THR 12 Cb -0.13 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.34 3kx7 s THR 12 CO 0.03 0.05 0.06 -2.28 -0.54 0.00 0.00 174.62 171.94 3kx7 s HIS 13 N -1.55 0.16 -0.13 3.99 5.04 -0.08 -4.99 115.29 117.73 3kx7 s HIS 13 Ca 0.32 0.08 -0.06 0.00 -1.54 0.00 0.00 55.06 53.86 3kx7 s HIS 13 Cb -0.12 -0.56 -0.04 0.00 0.04 0.00 0.00 32.58 31.90 3kx7 s HIS 13 CO 0.25 -0.27 0.10 -0.51 -2.34 0.00 0.00 174.74 171.97 3kx7 s ASP 14 N 2.14 6.05 -0.12 9.88 1.01 -1.26 -0.63 116.67 133.74 3kx7 s ASP 14 Ca 0.04 0.34 -0.04 0.00 0.71 0.00 0.00 52.55 53.60 3kx7 s ASP 14 Cb -0.13 -1.93 0.06 0.00 1.01 0.00 0.00 42.92 41.93 3kx7 s ASP 14 CO -0.04 0.36 0.20 0.12 0.21 0.00 0.00 175.17 176.01 3kx7 s PHE 15 N -0.73 -0.25 -0.18 4.23 5.36 0.11 -5.00 117.98 121.52 3kx7 s PHE 15 Ca 0.13 0.61 -0.29 0.00 -0.96 0.00 0.00 56.93 56.42 3kx7 s PHE 15 Cb -0.12 -0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.32 3kx7 s PHE 15 CO 0.03 -0.36 1.21 0.08 -1.46 0.00 0.00 175.22 174.72 3kx7 s VAL 16 N 2.33 4.37 -0.24 3.12 1.01 -1.26 -0.51 120.40 129.22 3kx7 s VAL 16 Ca 0.03 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 3kx7 s VAL 16 Cb -0.13 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3kx7 s VAL 16 CO -0.08 -0.15 1.45 -0.69 0.00 0.00 0.00 175.10 175.63 3kx7 s VAL 17 N 3.44 3.94 0.73 2.92 1.01 -0.19 -4.91 120.40 127.35 3kx7 s VAL 17 Ca 0.52 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 63.50 3kx7 s VAL 17 Cb -0.20 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.33 3kx7 s VAL 17 CO 0.13 -0.35 1.05 -2.16 0.00 0.00 0.00 175.10 173.78 3kx7 s PRO 18 N 4.31 2.12 0.51 2.72 0.04 -1.26 0.39 135.00 143.83 3kx7 s PRO 18 Ca 0.63 -0.19 0.19 0.00 0.04 0.00 0.00 61.00 61.68 3kx7 s PRO 18 Cb -0.21 -2.12 1.28 0.00 0.04 0.00 0.00 34.50 33.49 3kx7 s PRO 18 CO 0.25 -1.34 2.07 -1.35 0.04 0.00 0.00 177.00 176.68 3kx7 h PRO 19 N -0.71 0.06 -0.94 0.56 0.11 -1.95 -3.17 132.00 125.96 3kx7 h PRO 19 Ca -0.45 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 3kx7 h PRO 19 Cb 1.32 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.30 3kx7 h PRO 19 CO 0.61 0.04 0.24 -2.39 -0.21 0.00 0.00 178.00 176.29 3kx7 n HIS 20 N -4.47 1.42 -1.85 0.65 1.44 -1.26 -4.10 115.22 107.05 3kx7 n HIS 20 Ca 0.03 -0.95 -0.19 0.00 -2.01 0.00 0.00 57.72 54.60 3kx7 n HIS 20 Cb 0.31 -0.52 0.07 0.00 0.12 0.00 0.00 29.99 29.97 3kx7 n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kx7 n LYS 21 N -0.15 3.08 -2.83 -1.40 4.76 -1.20 -4.79 118.16 115.63 3kx7 n LYS 21 Ca 0.26 -3.88 -0.20 0.00 -2.87 0.00 0.00 58.31 51.62 3kx7 n LYS 21 Cb 1.00 -2.14 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3kx7 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kx7 s THR 22 N -4.30 2.92 0.38 -0.18 -4.23 -1.26 -1.92 115.64 107.05 3kx7 s THR 22 Ca 0.50 -0.80 0.09 0.00 -1.18 0.00 0.00 61.69 60.30 3kx7 s THR 22 Cb 0.41 -3.04 0.16 0.00 1.34 0.00 0.00 72.50 71.37 3kx7 s THR 22 CO 0.01 -0.02 1.92 1.62 -0.54 0.00 0.00 174.62 177.61 3kx7 h VAL 23 N 0.34 1.18 0.00 2.29 3.04 -1.85 -0.60 116.25 120.64 3kx7 h VAL 23 Ca -0.42 -0.76 -0.03 0.00 -1.01 0.00 0.00 66.70 64.48 3kx7 h VAL 23 Cb 1.29 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3kx7 h VAL 23 CO 0.50 0.24 -0.15 0.08 -1.01 0.00 0.00 177.57 177.23 3kx7 h ARG 24 N 0.25 0.00 0.00 4.17 0.11 -1.85 -1.40 114.38 115.66 3kx7 h ARG 24 Ca 0.05 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.05 3kx7 h ARG 24 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 3kx7 h ARG 24 CO 0.02 0.15 -0.77 0.45 0.10 0.00 0.00 179.97 179.92 3kx7 h HIS 25 N 0.00 0.00 -0.27 4.08 3.86 -1.50 -2.64 115.15 118.68 3kx7 h HIS 25 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3kx7 h HIS 25 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3kx7 h HIS 25 CO 0.00 0.34 -0.01 1.25 0.86 0.00 0.00 177.93 180.37 3kx7 h LEU 26 N 0.00 0.48 -6.92 2.43 5.85 -0.11 -3.38 115.31 113.66 3kx7 h LEU 26 Ca -0.05 -0.32 -0.61 0.00 0.84 0.00 0.00 57.88 57.75 3kx7 h LEU 26 Cb 1.30 -0.13 -0.40 0.00 0.37 0.00 0.00 40.66 41.80 3kx7 h LEU 26 CO 0.04 0.68 -0.73 -0.31 -0.34 0.00 0.00 178.44 177.78 3kx7 s TYR 27 N -4.96 2.35 0.50 1.25 2.02 -0.80 -4.94 117.35 112.77 3kx7 s TYR 27 Ca -0.13 -2.73 0.35 0.00 -0.37 0.00 0.00 57.07 54.19 3kx7 s TYR 27 Cb 0.08 -1.99 1.86 0.00 -0.40 0.00 0.00 41.96 41.51 3kx7 s TYR 27 CO 0.76 -0.72 2.20 -1.35 -1.57 0.00 0.00 175.55 174.87 3kx7 h PRO 28 N 6.10 0.00 0.00 -1.71 0.11 -1.65 -2.77 132.00 132.08 3kx7 h PRO 28 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3kx7 h PRO 28 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kx7 h PRO 28 CO 0.54 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 3kx7 n GLU 29 N -3.41 0.90 -3.72 1.05 0.00 -1.26 -4.62 120.64 109.58 3kx7 n GLU 29 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.77 3kx7 n GLU 29 Cb 0.16 -1.15 -0.10 0.00 0.00 0.00 0.00 31.44 30.35 3kx7 n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kx7 s SER 30 N -1.37 5.24 0.45 -1.84 0.15 -1.05 -4.92 113.70 110.37 3kx7 s SER 30 Ca 0.13 -2.87 0.11 0.00 0.70 0.00 0.00 55.95 54.02 3kx7 s SER 30 Cb 0.06 -1.86 1.01 0.00 -1.71 0.00 0.00 66.02 63.52 3kx7 s SER 30 CO 0.10 -0.37 2.07 -0.65 1.20 0.00 0.00 173.24 175.60 3kx7 h PRO 31 N 7.01 0.28 0.00 5.44 0.11 -1.87 -0.70 132.00 142.27 3kx7 h PRO 31 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3kx7 h PRO 31 Cb 0.95 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3kx7 h PRO 31 CO 0.71 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 3kx7 n GLU 32 N -4.47 0.04 -0.10 1.05 4.71 -1.26 -0.78 120.64 119.82 3kx7 n GLU 32 Ca 0.00 0.48 0.12 0.00 -0.01 0.00 0.00 57.16 57.75 3kx7 n GLU 32 Cb 0.10 -1.60 0.21 0.00 -1.01 0.00 0.00 31.44 29.14 3kx7 n GLU 32 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3kx7 n PHE 33 N -1.68 0.26 -0.29 -0.32 0.99 -0.27 -4.77 117.46 111.38 3kx7 n PHE 33 Ca 0.00 -0.13 0.04 0.00 -0.00 0.00 0.00 57.45 57.36 3kx7 n PHE 33 Cb 0.04 0.00 0.18 0.00 -1.00 0.00 0.00 39.48 38.70 3kx7 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kx7 h ALA 34 N 4.54 1.20 -0.55 4.37 0.00 -1.07 -2.23 119.26 125.51 3kx7 h ALA 34 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 3kx7 h ALA 34 Cb 0.92 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.43 3kx7 h ALA 34 CO 0.00 0.07 0.15 0.39 0.00 0.00 0.00 179.25 179.86 3kx7 n GLU 35 N -4.76 2.09 -2.43 0.00 -0.58 -1.26 -4.99 120.64 108.70 3kx7 n GLU 35 Ca 0.14 -3.12 -0.35 0.00 -0.42 0.00 0.00 57.16 53.42 3kx7 n GLU 35 Cb 0.30 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.21 3kx7 n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kx7 s PHE 36 N -3.24 2.89 0.69 -0.32 0.08 -0.84 -5.01 117.98 112.24 3kx7 s PHE 36 Ca 0.49 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.95 3kx7 s PHE 36 Cb 0.43 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3kx7 s PHE 36 CO 0.04 -1.11 1.17 -2.14 -0.10 0.00 0.00 175.22 173.08 3kx7 s PRO 37 N -3.18 2.47 -1.42 0.24 0.02 -1.26 -4.89 135.00 126.98 3kx7 s PRO 37 Ca 0.68 1.62 -0.14 0.00 0.02 0.00 0.00 61.00 63.19 3kx7 s PRO 37 Cb -0.20 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.49 3kx7 s PRO 37 CO 0.23 -1.55 2.12 0.39 -0.33 0.00 0.00 177.00 177.87 3kx7 n GLU 38 N -2.49 2.97 -4.21 5.54 -0.58 -1.26 -4.73 120.64 115.89 3kx7 n GLU 38 Ca 0.12 -2.79 -0.16 0.00 -0.42 0.00 0.00 57.16 53.92 3kx7 n GLU 38 Cb 0.51 -3.28 -0.11 0.00 -0.57 0.00 0.00 31.44 27.99 3kx7 n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kx7 s VAL 39 N 3.08 1.12 0.01 2.62 -7.23 -1.26 -4.39 120.40 114.34 3kx7 s VAL 39 Ca 0.47 -1.68 -0.33 0.00 -1.81 0.00 0.00 61.98 58.63 3kx7 s VAL 39 Cb 0.12 -1.45 -0.12 0.00 0.56 0.00 0.00 36.38 35.50 3kx7 s VAL 39 CO -0.06 -0.50 1.82 0.33 -0.31 0.00 0.00 175.10 176.38 3kx7 n PHE 40 N 0.53 2.38 -2.65 2.82 -0.00 0.19 -3.91 117.46 116.82 3kx7 n PHE 40 Ca -0.16 -0.01 -0.35 0.00 -0.00 0.00 0.00 57.45 56.94 3kx7 n PHE 40 Cb 0.57 -2.66 -0.05 0.00 -0.00 0.00 0.00 39.48 37.34 3kx7 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kx7 s ALA 41 N 3.20 3.03 0.21 3.13 0.00 -0.81 -4.78 121.76 125.75 3kx7 s ALA 41 Ca 0.88 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 3kx7 s ALA 41 Cb -0.63 -3.22 0.27 0.00 0.00 0.00 0.00 23.12 19.54 3kx7 s ALA 41 CO 0.45 -0.10 1.80 1.15 0.00 0.00 0.00 175.76 179.06 3kx7 h THR 42 N 1.99 0.93 -0.67 0.00 2.02 -1.93 -0.29 112.91 114.96 3kx7 h THR 42 Ca -0.49 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3kx7 h THR 42 Cb 1.20 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3kx7 h THR 42 CO 0.61 0.12 0.40 1.23 0.37 0.00 0.00 175.52 178.26 3kx7 h GLY 43 N 0.66 0.97 1.26 2.16 0.00 -1.98 0.11 103.07 106.25 3kx7 h GLY 43 Ca 0.31 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 3kx7 h GLY 43 CO -0.21 0.38 -0.41 0.74 0.00 0.00 0.00 176.54 177.04 3kx7 h PHE 44 N 0.92 0.97 -0.65 5.60 0.04 -1.71 -1.92 116.94 120.20 3kx7 h PHE 44 Ca 0.24 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3kx7 h PHE 44 Cb -0.04 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 3kx7 h PHE 44 CO 0.00 1.08 0.35 1.98 -0.60 0.00 0.00 178.31 181.12 3kx7 h MET 45 N 0.65 0.91 -0.30 1.51 4.05 0.04 0.38 114.93 122.17 3kx7 h MET 45 Ca 0.05 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 3kx7 h MET 45 Cb 0.98 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 3kx7 h MET 45 CO 0.09 0.70 0.06 0.28 0.23 0.00 0.00 176.91 178.27 3kx7 h VAL 46 N 0.89 0.86 -0.39 -5.77 2.07 -0.80 0.19 116.25 113.30 3kx7 h VAL 46 Ca 0.23 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3kx7 h VAL 46 Cb 0.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3kx7 h VAL 46 CO -0.03 0.03 0.09 1.23 0.02 0.00 0.00 177.57 178.91 3kx7 h GLY 47 N 0.17 0.61 1.17 2.17 0.00 -0.74 -1.20 103.07 105.25 3kx7 h GLY 47 Ca 0.14 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 3kx7 h GLY 47 CO -0.18 0.30 -0.25 -2.00 0.00 0.00 0.00 176.54 174.41 3kx7 h LEU 48 N 0.56 0.97 -0.44 3.11 5.85 -0.22 -0.62 115.31 124.52 3kx7 h LEU 48 Ca 0.13 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3kx7 h LEU 48 Cb 0.21 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3kx7 h LEU 48 CO -0.00 1.16 0.20 0.24 -0.34 0.00 0.00 178.44 179.70 3kx7 h MET 49 N 0.81 0.64 -0.48 1.25 2.86 -0.37 -1.82 114.93 117.81 3kx7 h MET 49 Ca 0.10 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3kx7 h MET 49 Cb 0.82 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3kx7 h MET 49 CO 0.07 0.56 0.28 0.93 1.06 0.00 0.00 176.91 179.81 3kx7 h GLU 50 N 0.57 0.54 -0.72 1.72 5.08 -1.09 -2.35 114.58 118.32 3kx7 h GLU 50 Ca 0.15 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3kx7 h GLU 50 Cb 0.14 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3kx7 h GLU 50 CO -0.02 0.35 0.43 2.35 -1.00 0.00 0.00 179.01 181.13 3kx7 h TRP 51 N 0.55 0.80 -0.36 4.33 7.01 -0.75 0.25 115.95 127.77 3kx7 h TRP 51 Ca 0.20 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.23 3kx7 h TRP 51 Cb 0.04 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 3kx7 h TRP 51 CO -0.08 0.41 0.23 0.00 -2.79 0.00 0.00 178.44 176.21 3kx7 h ALA 52 N 1.35 0.46 -0.49 2.65 0.00 -1.07 -1.11 119.26 121.05 3kx7 h ALA 52 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kx7 h ALA 52 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kx7 h ALA 52 CO -0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 179.25 178.93 3kx7 h VAL 54 N 0.76 0.91 -0.64 0.00 2.07 -0.34 -1.18 116.25 117.84 3kx7 h VAL 54 Ca 0.13 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3kx7 h VAL 54 Cb 0.60 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3kx7 h VAL 54 CO 0.04 0.09 0.33 0.03 0.02 0.00 0.00 177.57 178.08 3kx7 h ARG 55 N 0.48 0.90 -1.00 1.57 3.08 -0.98 -1.94 114.38 116.49 3kx7 h ARG 55 Ca 0.24 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.24 3kx7 h ARG 55 Cb 0.19 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 3kx7 h ARG 55 CO -0.19 0.70 0.65 0.00 -1.07 0.00 0.00 179.97 180.05 3kx7 h ALA 56 N 1.15 1.42 0.00 0.04 0.00 -0.80 -3.20 119.26 117.87 3kx7 h ALA 56 Ca 0.22 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 3kx7 h ALA 56 Cb 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3kx7 h ALA 56 CO -0.03 0.43 -1.01 0.52 0.00 0.00 0.00 179.25 179.16 3kx7 h MET 57 N 1.16 0.00 -0.98 0.00 2.86 -0.89 -3.42 114.93 113.66 3kx7 h MET 57 Ca 0.43 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.09 3kx7 h MET 57 Cb 0.18 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 3kx7 h MET 57 CO -0.17 0.91 0.65 0.00 1.06 0.00 0.00 176.91 179.35 3kx7 h ALA 58 N 1.05 1.33 0.00 6.32 0.00 -1.35 -0.08 119.26 126.52 3kx7 h ALA 58 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kx7 h ALA 58 Cb 1.75 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3kx7 h ALA 58 CO 0.12 0.60 0.00 -1.35 0.00 0.00 0.00 179.25 178.62 3kx7 h PRO 59 N 1.29 0.00 -0.02 0.00 0.11 -1.81 -3.20 132.00 128.38 3kx7 h PRO 59 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3kx7 h PRO 59 Cb -0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3kx7 h PRO 59 CO -0.10 0.00 -0.32 0.66 -0.21 0.00 0.00 178.00 178.03 3kx7 n TYR 60 N -2.68 0.00 -2.95 0.65 4.01 -0.07 -4.92 117.16 111.21 3kx7 n TYR 60 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3kx7 n TYR 60 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 3kx7 n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kx7 s LEU 61 N -2.26 4.20 0.56 7.72 1.43 -1.08 -4.97 118.68 124.28 3kx7 s LEU 61 Ca 0.20 1.58 -0.08 0.00 -1.03 0.00 0.00 54.13 54.80 3kx7 s LEU 61 Cb 0.18 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 3kx7 s LEU 61 CO 0.47 -0.13 0.91 -1.61 0.23 0.00 0.00 176.35 176.22 3kx7 s GLU 62 N -2.46 3.53 0.36 1.70 0.41 -1.26 -4.96 118.70 116.01 3kx7 s GLU 62 Ca 0.52 0.45 -0.28 0.00 -0.41 0.00 0.00 54.97 55.25 3kx7 s GLU 62 Cb -0.14 -2.23 -0.11 0.00 -1.78 0.00 0.00 34.13 29.87 3kx7 s GLU 62 CO 0.19 -0.41 1.47 -2.30 -0.49 0.00 0.00 175.26 173.72 3kx7 n PRO 63 N -2.52 2.58 0.00 0.39 -0.02 -1.26 -1.47 135.00 132.70 3kx7 n PRO 63 Ca 0.03 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3kx7 n PRO 63 Cb 0.55 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3kx7 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx7 n GLY 64 N 0.79 1.21 3.92 -1.23 0.00 -1.26 -5.05 105.19 103.57 3kx7 n GLY 64 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3kx7 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx7 s GLU 65 N -0.64 3.45 0.00 1.61 2.02 -0.54 -1.22 118.70 123.38 3kx7 s GLU 65 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.58 3kx7 s GLU 65 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3kx7 s GLU 65 CO 0.00 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.29 3kx7 n GLY 66 N 0.29 4.91 3.21 -1.39 0.00 -0.12 -4.85 105.19 107.24 3kx7 n GLY 66 Ca -0.05 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3kx7 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx7 s SER 67 N 0.56 -0.00 0.06 1.61 1.04 -1.26 -1.15 113.70 114.55 3kx7 s SER 67 Ca 0.00 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.13 3kx7 s SER 67 Cb 0.00 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3kx7 s SER 67 CO 0.00 -0.61 -0.16 -0.76 0.98 0.00 0.00 173.24 172.69 3kx7 s LEU 68 N -2.22 2.21 0.02 2.42 1.43 -0.67 -4.93 118.68 116.94 3kx7 s LEU 68 Ca -0.03 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3kx7 s LEU 68 Cb 0.00 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 3kx7 s LEU 68 CO -0.05 0.03 1.23 -0.83 0.23 0.00 0.00 176.35 176.96 3kx7 s GLY 69 N -1.38 2.24 -0.00 -3.19 0.00 -1.26 -0.69 107.32 103.04 3kx7 s GLY 69 Ca 0.02 0.79 0.11 0.00 0.00 0.00 0.00 44.72 45.64 3kx7 s GLY 69 CO 0.02 2.15 0.43 -1.30 0.00 0.00 0.00 173.10 174.40 3kx7 n THR 70 N 4.22 0.00 -3.56 0.90 -2.24 0.51 -4.93 114.28 109.18 3kx7 n THR 70 Ca 0.10 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 3kx7 n THR 70 Cb 0.46 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 3kx7 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx7 s ALA 71 N -2.10 -1.89 -0.08 6.98 0.00 -1.17 -4.96 121.76 118.55 3kx7 s ALA 71 Ca 0.03 1.47 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 3kx7 s ALA 71 Cb 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.78 3kx7 s ALA 71 CO 0.44 -0.37 0.19 -1.50 0.00 0.00 0.00 175.76 174.53 3kx7 s ILE 72 N -1.38 -0.03 -0.33 0.00 1.10 -1.26 -1.62 121.20 117.69 3kx7 s ILE 72 Ca -0.02 0.11 -0.01 0.00 -0.51 0.00 0.00 60.65 60.21 3kx7 s ILE 72 Cb -0.00 -0.30 0.13 0.00 0.15 0.00 0.00 42.46 42.44 3kx7 s ILE 72 CO 0.02 0.04 0.21 0.00 -2.11 0.00 0.00 174.94 173.10 3kx7 s VAL 74 N 1.59 0.34 0.53 0.00 -7.23 -1.26 -1.35 120.40 113.02 3kx7 s VAL 74 Ca 0.14 -1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 59.08 3kx7 s VAL 74 Cb -0.19 -0.69 -0.00 0.00 0.56 0.00 0.00 36.38 36.06 3kx7 s VAL 74 CO -0.16 -0.55 0.82 0.42 -0.31 0.00 0.00 175.10 175.32 3kx7 s THR 75 N -1.95 4.01 -0.35 5.32 -4.23 -0.65 -4.93 115.64 112.87 3kx7 s THR 75 Ca -0.08 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 3kx7 s THR 75 Cb -0.06 -3.55 0.14 0.00 1.34 0.00 0.00 72.50 70.37 3kx7 s THR 75 CO -0.02 -0.52 0.26 -2.28 -0.54 0.00 0.00 174.62 171.51 3kx7 s HIS 76 N -2.84 0.28 -0.56 3.99 2.46 -1.26 -3.52 115.29 113.85 3kx7 s HIS 76 Ca 0.51 -1.19 0.16 0.00 0.47 0.00 0.00 55.06 55.01 3kx7 s HIS 76 Cb -0.10 -0.72 -0.20 0.00 -0.13 0.00 0.00 32.58 31.42 3kx7 s HIS 76 CO 0.43 -0.88 0.60 0.25 -2.47 0.00 0.00 174.74 172.68 3kx7 n THR 77 N 4.33 0.00 -3.94 0.89 -2.24 0.58 -4.96 114.28 108.94 3kx7 n THR 77 Ca 0.09 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3kx7 n THR 77 Cb 0.41 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.28 3kx7 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx7 s ALA 78 N -2.72 -0.02 0.02 6.98 0.00 -1.23 -5.01 121.76 119.77 3kx7 s ALA 78 Ca 0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 3kx7 s ALA 78 Cb 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 3kx7 s ALA 78 CO 0.68 -0.22 0.28 0.00 0.00 0.00 0.00 175.76 176.50 3kx7 s ALA 79 N -1.80 3.84 -0.20 0.00 0.00 -1.26 -4.81 121.76 117.53 3kx7 s ALA 79 Ca -0.12 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 3kx7 s ALA 79 Cb -0.07 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 21.03 3kx7 s ALA 79 CO -0.01 0.65 -0.05 0.99 0.00 0.00 0.00 175.76 177.34 3kx7 s THR 80 N -1.33 1.25 0.68 0.00 2.01 -1.26 -5.01 115.64 111.98 3kx7 s THR 80 Ca 0.29 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 3kx7 s THR 80 Cb -0.13 -1.49 -0.00 0.00 0.01 0.00 0.00 72.50 70.89 3kx7 s THR 80 CO 0.17 -0.00 1.06 -2.16 -0.69 0.00 0.00 174.62 173.00 3kx7 s PRO 81 N 1.55 3.06 0.42 4.92 0.04 -1.26 -0.64 135.00 143.10 3kx7 s PRO 81 Ca -0.02 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 61.59 3kx7 s PRO 81 Cb -0.17 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 3kx7 s PRO 81 CO -0.07 -0.97 1.09 -2.30 0.04 0.00 0.00 177.00 174.79 3kx7 n PRO 82 N -3.03 1.52 0.00 0.56 -0.02 -1.26 -3.49 135.00 129.28 3kx7 n PRO 82 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3kx7 n PRO 82 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3kx7 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx7 n GLY 83 N 1.07 2.25 3.86 -1.23 0.00 0.16 -5.00 105.19 106.30 3kx7 n GLY 83 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3kx7 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx7 s LEU 84 N 0.00 3.33 -0.31 0.99 1.02 -1.23 -4.73 118.68 117.76 3kx7 s LEU 84 Ca 0.00 1.47 -0.14 0.00 0.02 0.00 0.00 54.13 55.49 3kx7 s LEU 84 Cb 0.00 -4.48 -0.03 0.00 0.02 0.00 0.00 46.19 41.70 3kx7 s LEU 84 CO 0.00 -0.82 0.30 -0.89 0.02 0.00 0.00 176.35 174.95 3kx7 s THR 85 N -3.02 5.23 -0.24 5.49 2.01 -1.26 -1.02 115.64 122.84 3kx7 s THR 85 Ca 0.56 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 3kx7 s THR 85 Cb -0.11 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 3kx7 s THR 85 CO 0.48 0.07 0.74 -0.69 -0.69 0.00 0.00 174.62 174.53 3kx7 s VAL 86 N 1.91 4.91 -0.31 3.82 1.01 0.34 -3.54 120.40 128.54 3kx7 s VAL 86 Ca 0.10 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 63.37 3kx7 s VAL 86 Cb -0.16 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3kx7 s VAL 86 CO 0.11 -0.01 0.16 -0.89 0.00 0.00 0.00 175.10 174.46 3kx7 s THR 87 N 2.58 4.67 -0.10 3.92 2.01 0.94 -0.71 115.64 128.93 3kx7 s THR 87 Ca 0.32 -0.36 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 3kx7 s THR 87 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3kx7 s THR 87 CO 0.08 0.09 0.57 -0.69 -0.69 0.00 0.00 174.62 173.98 3kx7 s VAL 88 N 1.63 5.12 -0.22 3.82 1.01 0.20 -1.53 120.40 130.43 3kx7 s VAL 88 Ca 0.05 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.11 3kx7 s VAL 88 Cb -0.17 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3kx7 s VAL 88 CO 0.07 0.28 0.08 -0.89 0.00 0.00 0.00 175.10 174.63 3kx7 s THR 89 N 0.78 4.57 -0.18 3.92 2.01 0.27 -0.91 115.64 126.11 3kx7 s THR 89 Ca 0.30 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.21 3kx7 s THR 89 Cb -0.16 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.26 3kx7 s THR 89 CO 0.13 0.38 -0.19 0.00 -0.69 0.00 0.00 174.62 174.25 3kx7 s ALA 90 N 1.14 2.37 -0.13 7.40 0.00 -0.08 -1.44 121.76 131.02 3kx7 s ALA 90 Ca 0.05 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 3kx7 s ALA 90 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 3kx7 s ALA 90 CO 0.03 -0.33 -0.12 -2.00 0.00 0.00 0.00 175.76 173.34 3kx7 s GLU 91 N 1.26 3.40 -0.07 0.00 2.12 0.07 -0.80 118.70 124.68 3kx7 s GLU 91 Ca 0.04 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 3kx7 s GLU 91 Cb -0.13 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 3kx7 s GLU 91 CO -0.11 0.21 1.39 -1.17 -0.54 0.00 0.00 175.26 175.04 3kx7 s LEU 92 N 0.37 4.27 -0.11 2.70 2.96 -1.04 -0.53 118.68 127.29 3kx7 s LEU 92 Ca -0.10 1.97 -0.03 0.00 -0.22 0.00 0.00 54.13 55.74 3kx7 s LEU 92 Cb -0.16 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.73 3kx7 s LEU 92 CO 0.05 -0.77 0.39 0.54 -1.32 0.00 0.00 176.35 175.25 3kx7 n ARG 93 N 6.18 0.74 -3.55 1.98 1.74 0.18 -0.26 116.66 123.67 3kx7 n ARG 93 Ca 0.14 0.26 -0.10 0.00 -0.77 0.00 0.00 57.85 57.38 3kx7 n ARG 93 Cb 0.44 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3kx7 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kx7 s SER 94 N -6.86 -0.38 -0.16 0.55 1.04 -1.11 -4.80 113.70 101.98 3kx7 s SER 94 Ca -0.20 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3kx7 s SER 94 Cb 0.07 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.56 3kx7 s SER 94 CO 0.77 -0.46 -0.11 -0.69 0.98 0.00 0.00 173.24 173.73 3kx7 s VAL 95 N -1.91 1.44 -0.36 5.02 1.01 -1.26 -1.38 120.40 122.96 3kx7 s VAL 95 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3kx7 s VAL 95 Cb -0.01 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 35.05 3kx7 s VAL 95 CO -0.02 0.34 0.16 -1.61 0.00 0.00 0.00 175.10 173.97 3kx7 s GLU 96 N 1.52 0.88 7.80 2.72 2.02 0.29 -5.00 118.70 128.92 3kx7 s GLU 96 Ca 0.03 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.61 3kx7 s GLU 96 Cb -0.14 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3kx7 s GLU 96 CO -0.09 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.53 3kx7 n GLY 97 N 4.33 3.46 0.35 -1.39 0.00 -1.26 -1.54 105.19 109.14 3kx7 n GLY 97 Ca 0.03 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3kx7 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kx7 n ARG 98 N 13.59 1.48 -3.46 1.61 1.74 -1.26 -4.84 116.66 125.51 3kx7 n ARG 98 Ca 0.00 -0.71 -0.38 0.00 -0.77 0.00 0.00 57.85 55.99 3kx7 n ARG 98 Cb 0.00 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 3kx7 n ARG 98 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3kx7 s ARG 99 N -1.97 4.10 -0.14 5.56 3.52 -0.59 -0.23 118.95 129.19 3kx7 s ARG 99 Ca 0.39 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 56.02 3kx7 s ARG 99 Cb 0.20 -3.57 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3kx7 s ARG 99 CO 0.33 -0.08 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.06 3kx7 s LEU 100 N 1.47 2.45 -0.09 -0.88 1.02 -0.33 -0.55 118.68 121.77 3kx7 s LEU 100 Ca 0.15 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 3kx7 s LEU 100 Cb -0.15 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 3kx7 s LEU 100 CO 0.08 0.11 -0.04 -0.44 0.02 0.00 0.00 176.35 176.08 3kx7 s SER 101 N 0.63 4.85 0.05 2.29 0.01 -0.48 -1.06 113.70 119.99 3kx7 s SER 101 Ca -0.09 0.00 0.06 0.00 1.31 0.00 0.00 55.95 57.23 3kx7 s SER 101 Cb -0.16 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 3kx7 s SER 101 CO 0.03 0.32 -0.16 0.26 0.41 0.00 0.00 173.24 174.10 3kx7 s TRP 102 N -0.57 1.40 -0.23 2.43 0.52 0.38 0.50 118.94 123.37 3kx7 s TRP 102 Ca 0.09 -0.38 -0.09 0.00 0.02 0.00 0.00 56.10 55.74 3kx7 s TRP 102 Cb -0.12 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 3kx7 s TRP 102 CO 0.02 0.07 0.12 0.50 0.02 0.00 0.00 176.95 177.68 3kx7 s ARG 103 N -1.32 3.95 0.04 4.98 3.52 0.31 -1.77 118.95 128.66 3kx7 s ARG 103 Ca 0.03 -0.34 0.09 0.00 -0.13 0.00 0.00 55.73 55.38 3kx7 s ARG 103 Cb -0.09 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3kx7 s ARG 103 CO 0.02 0.03 -0.26 0.14 -0.81 0.00 0.00 175.30 174.42 3kx7 s VAL 104 N 1.11 2.08 0.07 7.11 -7.23 -0.18 -0.75 120.40 122.61 3kx7 s VAL 104 Ca 0.06 -1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 3kx7 s VAL 104 Cb -0.14 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.04 3kx7 s VAL 104 CO 0.04 0.37 0.27 -0.94 -0.31 0.00 0.00 175.10 174.53 3kx7 s SER 105 N -1.17 -0.04 0.01 4.85 1.04 -0.52 -0.59 113.70 117.27 3kx7 s SER 105 Ca 0.11 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3kx7 s SER 105 Cb -0.10 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3kx7 s SER 105 CO 0.02 -0.67 -0.02 0.00 0.98 0.00 0.00 173.24 173.55 3kx7 s ALA 106 N -3.07 0.13 -0.04 5.32 0.00 -0.08 -0.56 121.76 123.45 3kx7 s ALA 106 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3kx7 s ALA 106 Cb 0.01 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3kx7 s ALA 106 CO -0.07 -0.06 0.11 -1.58 0.00 0.00 0.00 175.76 174.16 3kx7 s HIS 107 N -0.70 -0.11 -0.44 0.00 5.04 -0.58 -0.26 115.29 118.24 3kx7 s HIS 107 Ca -0.07 0.32 0.15 0.00 -1.54 0.00 0.00 55.06 53.93 3kx7 s HIS 107 Cb -0.05 -0.03 0.75 0.00 0.04 0.00 0.00 32.58 33.29 3kx7 s HIS 107 CO -0.00 -0.09 1.67 -0.40 -2.34 0.00 0.00 174.74 173.57 3kx7 n ASP 108 N 3.55 5.23 0.00 9.88 5.68 -0.53 -0.04 116.55 140.32 3kx7 n ASP 108 Ca -0.19 -2.83 0.00 0.00 -0.50 0.00 0.00 54.79 51.28 3kx7 n ASP 108 Cb 0.56 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3kx7 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kx7 n GLY 109 N 0.57 3.26 0.74 6.12 0.00 -1.23 -4.02 105.19 110.64 3kx7 n GLY 109 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3kx7 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kx7 n VAL 110 N -1.56 0.72 -4.21 1.61 0.31 -1.26 -5.08 118.33 108.86 3kx7 n VAL 110 Ca 0.00 0.25 -0.28 0.00 -0.01 0.00 0.00 64.34 64.30 3kx7 n VAL 110 Cb 0.00 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 3kx7 n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kx7 s ASP 111 N -5.40 4.64 0.18 4.52 1.01 -1.26 -5.09 116.67 115.27 3kx7 s ASP 111 Ca -0.05 -0.38 -0.32 0.00 0.71 0.00 0.00 52.55 52.52 3kx7 s ASP 111 Cb 0.01 -0.96 -0.11 0.00 1.01 0.00 0.00 42.92 42.87 3kx7 s ASP 111 CO 0.07 0.13 1.64 -0.70 0.21 0.00 0.00 175.17 176.52 3kx7 s GLU 112 N -2.62 4.17 -0.01 8.23 2.56 -1.26 -1.45 118.70 128.32 3kx7 s GLU 112 Ca 0.25 2.47 0.13 0.00 0.00 0.00 0.00 54.97 57.83 3kx7 s GLU 112 Cb -0.10 -3.13 -0.19 0.00 2.00 0.00 0.00 34.13 32.70 3kx7 s GLU 112 CO 0.17 -0.68 0.35 0.44 -0.56 0.00 0.00 175.26 174.98 3kx7 n ILE 113 N 4.00 0.00 0.00 -3.70 -5.35 0.65 -4.25 119.36 110.70 3kx7 n ILE 113 Ca 0.15 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3kx7 n ILE 113 Cb 0.37 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 3kx7 n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kx7 n GLY 114 N 1.64 1.08 3.42 3.28 0.00 -1.15 -0.31 105.19 113.15 3kx7 n GLY 114 Ca -0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3kx7 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx7 s SER 115 N 0.00 -0.54 0.00 1.61 1.04 -1.23 -0.90 113.70 113.68 3kx7 s SER 115 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3kx7 s SER 115 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3kx7 s SER 115 CO 0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3kx7 n GLY 116 N -0.15 -0.63 3.24 7.32 0.00 0.24 -1.64 105.19 113.58 3kx7 n GLY 116 Ca -0.17 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 3kx7 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kx7 s THR 117 N -3.29 1.13 -0.14 2.61 -4.23 -0.46 -1.01 115.64 110.26 3kx7 s THR 117 Ca 0.00 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 3kx7 s THR 117 Cb 0.00 -1.81 0.04 0.00 1.34 0.00 0.00 72.50 72.07 3kx7 s THR 117 CO 0.00 -0.74 0.35 -2.28 -0.54 0.00 0.00 174.62 171.41 3kx7 s HIS 118 N -3.30 -0.42 0.07 3.99 5.04 -0.73 -0.92 115.29 119.03 3kx7 s HIS 118 Ca 0.16 0.99 0.10 0.00 -1.54 0.00 0.00 55.06 54.76 3kx7 s HIS 118 Cb 0.02 0.15 -0.03 0.00 0.04 0.00 0.00 32.58 32.76 3kx7 s HIS 118 CO 0.00 -0.22 -0.26 -1.21 -2.34 0.00 0.00 174.74 170.71 3kx7 s GLU 119 N 0.52 1.65 0.07 2.88 8.01 -0.64 -0.47 118.70 130.73 3kx7 s GLU 119 Ca -0.03 -1.17 0.03 0.00 0.01 0.00 0.00 54.97 53.81 3kx7 s GLU 119 Cb -0.04 -1.92 -0.03 0.00 -4.31 0.00 0.00 34.13 27.82 3kx7 s GLU 119 CO -0.03 0.48 -0.09 1.03 0.01 0.00 0.00 175.26 176.66 3kx7 s ARG 120 N -1.49 0.73 -0.09 1.61 0.52 -0.23 -0.36 118.95 119.65 3kx7 s ARG 120 Ca 0.12 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 3kx7 s ARG 120 Cb -0.10 -0.45 0.01 0.00 0.52 0.00 0.00 34.95 34.93 3kx7 s ARG 120 CO 0.03 0.07 -0.18 0.00 0.02 0.00 0.00 175.30 175.24 3kx7 s ALA 121 N -2.05 1.78 0.20 2.13 0.00 0.13 -1.18 121.76 122.76 3kx7 s ALA 121 Ca -0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3kx7 s ALA 121 Cb -0.05 -0.74 -0.09 0.00 0.00 0.00 0.00 23.12 22.24 3kx7 s ALA 121 CO -0.00 0.16 1.34 0.08 0.00 0.00 0.00 175.76 177.34 3kx7 s VAL 122 N 0.57 3.13 0.08 0.00 1.01 0.67 -1.67 120.40 124.20 3kx7 s VAL 122 Ca -0.15 0.91 0.07 0.00 0.00 0.00 0.00 61.98 62.81 3kx7 s VAL 122 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3kx7 s VAL 122 CO 0.05 0.13 -0.18 0.27 0.00 0.00 0.00 175.10 175.37 3kx7 s ILE 123 N 0.22 1.45 -0.42 2.22 -4.36 -0.30 -4.92 121.20 115.10 3kx7 s ILE 123 Ca 0.58 -1.36 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 3kx7 s ILE 123 Cb -0.37 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.03 3kx7 s ILE 123 CO 0.38 -0.07 0.98 -2.28 0.24 0.00 0.00 174.94 174.19 3kx7 s HIS 124 N -1.11 2.98 0.16 1.37 5.65 -1.26 -0.95 115.29 122.13 3kx7 s HIS 124 Ca 0.03 0.67 -0.16 0.00 0.25 0.00 0.00 55.06 55.85 3kx7 s HIS 124 Cb -0.10 -3.91 0.10 0.00 -1.18 0.00 0.00 32.58 27.49 3kx7 s HIS 124 CO 0.03 -1.00 1.71 -0.07 -0.65 0.00 0.00 174.74 174.76 3kx7 h LEU 125 N 10.45 -0.12 -0.70 8.88 3.38 -1.49 0.12 115.31 135.82 3kx7 h LEU 125 Ca -0.23 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3kx7 h LEU 125 Cb 1.07 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3kx7 h LEU 125 CO 1.03 -0.03 0.26 -0.33 0.09 0.00 0.00 178.44 179.46 3kx7 h GLU 126 N 0.12 1.06 -0.46 1.13 5.08 -1.93 0.16 114.58 119.74 3kx7 h GLU 126 Ca 0.19 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3kx7 h GLU 126 Cb 0.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kx7 h GLU 126 CO -0.30 0.89 -0.20 0.87 -1.00 0.00 0.00 179.01 179.27 3kx7 h LYS 127 N 1.01 0.93 -0.07 2.33 1.57 -1.82 -2.01 116.57 118.51 3kx7 h LYS 127 Ca 0.23 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3kx7 h LYS 127 Cb 0.24 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kx7 h LYS 127 CO -0.02 1.04 0.00 0.35 -0.57 0.00 0.00 179.45 180.26 3kx7 h PHE 128 N 0.81 0.13 -0.10 -1.35 3.57 -0.55 -2.57 116.94 116.88 3kx7 h PHE 128 Ca 0.11 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kx7 h PHE 128 Cb 0.76 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3kx7 h PHE 128 CO 0.05 0.38 0.04 -0.91 -2.23 0.00 0.00 178.31 175.63 3kx7 h ASN 129 N -0.15 0.11 -0.21 0.41 2.35 -0.64 -0.59 115.58 116.86 3kx7 h ASN 129 Ca 0.02 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3kx7 h ASN 129 Cb 0.32 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3kx7 h ASN 129 CO 0.00 0.11 0.02 0.00 -1.65 0.00 0.00 177.43 175.91 3kx7 h ALA 130 N 1.91 0.28 -0.69 -0.83 0.00 -1.29 -1.30 119.26 117.34 3kx7 h ALA 130 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3kx7 h ALA 130 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kx7 h ALA 130 CO -0.00 -0.03 0.29 0.87 0.00 0.00 0.00 179.25 180.37 3kx7 h LYS 131 N 0.13 1.00 0.01 0.00 1.79 -0.91 -2.84 116.57 115.75 3kx7 h LYS 131 Ca 0.06 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3kx7 h LYS 131 Cb 0.35 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3kx7 h LYS 131 CO 0.01 0.80 -0.00 0.28 -1.08 0.00 0.00 179.45 179.46 3kx7 h VAL 132 N 0.99 1.08 -1.03 0.50 2.07 -1.05 -2.81 116.25 115.98 3kx7 h VAL 132 Ca 0.23 -0.25 0.26 0.00 0.82 0.00 0.00 66.70 67.76 3kx7 h VAL 132 Cb 0.16 1.25 -0.11 0.00 -1.52 0.00 0.00 31.29 31.07 3kx7 h VAL 132 CO -0.02 0.07 0.64 0.03 0.02 0.00 0.00 177.57 178.30 3kx7 h ARG 133 N -0.12 0.45 0.00 1.57 -0.00 -1.06 0.13 114.38 115.35 3kx7 h ARG 133 Ca -0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.45 3kx7 h ARG 133 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 29.97 29.98 3kx7 h ARG 133 CO 0.00 0.30 -0.00 1.96 0.00 0.00 0.00 179.97 182.23 3kx7 h GLN 134 N 0.46 0.00 0.00 0.04 4.20 -1.27 -1.92 115.11 116.63 3kx7 h GLN 134 Ca 0.63 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.34 3kx7 h GLN 134 Cb 1.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.20 3kx7 h GLN 134 CO -0.39 0.00 -0.00 0.36 -0.67 0.00 0.00 178.83 178.13 3kx7 n LYS 135 N -3.11 1.58 -3.15 1.46 2.85 -0.00 -5.00 118.16 112.79 3kx7 n LYS 135 Ca -0.03 -2.36 -0.39 0.00 -1.05 0.00 0.00 58.31 54.48 3kx7 n LYS 135 Cb 0.10 -1.40 -0.05 0.00 -0.65 0.00 0.00 35.03 33.03 3kx7 n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kx7 s THR 136 N -2.50 5.08 -1.87 0.58 2.01 -0.72 -5.10 115.64 113.11 3kx7 s THR 136 Ca 0.26 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.49 3kx7 s THR 136 Cb 0.23 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3kx7 s THR 136 CO 0.02 0.24 0.47 -2.65 -0.69 0.00 0.00 174.62 172.01