#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 0.05 2.12 1.70 -1.26 -5.01 118.95 120.01 3kx7 s ARG 6 Ca 0.00 -0.61 -0.38 0.00 -0.47 0.00 0.00 55.73 54.27 3kx7 s ARG 6 Cb 0.00 -2.89 -0.18 0.00 -0.57 0.00 0.00 34.95 31.31 3kx7 s ARG 6 CO 0.00 0.03 1.26 0.28 -1.08 0.00 0.00 175.30 175.79 3kx7 n VAL 7 N 4.13 0.00 0.00 4.99 0.31 -1.26 -1.64 118.33 124.86 3kx7 n VAL 7 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3kx7 n VAL 7 Cb 0.52 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 2.23 3.09 3.77 2.92 0.00 0.76 -5.00 105.19 112.96 3kx7 n GLY 8 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3kx7 n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kx7 s GLU 9 N -0.64 4.29 -0.01 1.61 2.12 -0.65 -4.70 118.70 120.72 3kx7 s GLU 9 Ca 0.00 2.31 0.06 0.00 0.36 0.00 0.00 54.97 57.70 3kx7 s GLU 9 Cb 0.00 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 3kx7 s GLU 9 CO 0.00 -0.30 -0.18 1.03 -0.54 0.00 0.00 175.26 175.27 3kx7 s ARG 10 N -1.64 2.25 0.01 4.30 0.52 -1.26 -1.40 118.95 121.72 3kx7 s ARG 10 Ca 0.51 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 3kx7 s ARG 10 Cb -0.42 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 3kx7 s ARG 10 CO 0.54 0.58 -0.17 0.12 0.02 0.00 0.00 175.30 176.39 3kx7 s PHE 11 N -0.78 1.48 0.01 -0.53 5.36 0.11 -4.96 117.98 118.66 3kx7 s PHE 11 Ca 0.12 -0.31 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 3kx7 s PHE 11 Cb -0.10 -0.93 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 3kx7 s PHE 11 CO 0.02 0.01 -0.21 0.95 -1.46 0.00 0.00 175.22 174.52 3kx7 s THR 12 N -0.54 2.50 -0.04 0.12 -4.23 -1.26 0.06 115.64 112.25 3kx7 s THR 12 Ca 0.06 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3kx7 s THR 12 Cb -0.07 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3kx7 s THR 12 CO 0.00 0.47 0.05 -2.28 -0.54 0.00 0.00 174.62 172.32 3kx7 s HIS 13 N -0.77 0.09 -0.00 3.99 2.46 -0.26 -5.00 115.29 115.79 3kx7 s HIS 13 Ca 0.12 0.21 0.02 0.00 0.47 0.00 0.00 55.06 55.87 3kx7 s HIS 13 Cb -0.10 -0.44 -0.04 0.00 -0.13 0.00 0.00 32.58 31.87 3kx7 s HIS 13 CO 0.02 -0.17 -0.02 -0.51 -2.47 0.00 0.00 174.74 171.59 3kx7 s ASP 14 N 1.89 4.98 -0.22 9.88 1.01 -1.26 -1.00 116.67 131.95 3kx7 s ASP 14 Ca 0.02 -0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.18 3kx7 s ASP 14 Cb -0.12 -1.27 0.11 0.00 1.01 0.00 0.00 42.92 42.66 3kx7 s ASP 14 CO -0.03 0.29 0.42 0.12 0.21 0.00 0.00 175.17 176.17 3kx7 s PHE 15 N -1.05 -0.87 -0.12 4.23 5.36 -0.11 -5.00 117.98 120.43 3kx7 s PHE 15 Ca 0.19 1.29 -0.30 0.00 -0.96 0.00 0.00 56.93 57.15 3kx7 s PHE 15 Cb -0.11 0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3kx7 s PHE 15 CO 0.09 -0.60 1.19 0.08 -1.46 0.00 0.00 175.22 174.51 3kx7 s VAL 16 N 2.61 4.36 -0.19 3.12 1.01 -1.26 -0.47 120.40 129.58 3kx7 s VAL 16 Ca 0.05 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 3kx7 s VAL 16 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 3kx7 s VAL 16 CO -0.15 -0.07 1.46 -0.69 0.00 0.00 0.00 175.10 175.66 3kx7 s VAL 17 N 2.73 3.92 0.56 2.92 1.01 -0.38 -4.91 120.40 126.25 3kx7 s VAL 17 Ca 0.53 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 3kx7 s VAL 17 Cb -0.22 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3kx7 s VAL 17 CO 0.17 -0.24 0.84 -2.16 0.00 0.00 0.00 175.10 173.72 3kx7 s PRO 18 N 4.12 2.96 0.56 2.72 0.04 -1.26 0.08 135.00 144.22 3kx7 s PRO 18 Ca 0.64 -0.12 0.26 0.00 0.04 0.00 0.00 61.00 61.82 3kx7 s PRO 18 Cb -0.24 -2.34 1.52 0.00 0.04 0.00 0.00 34.50 33.47 3kx7 s PRO 18 CO 0.24 -0.59 2.05 -1.35 0.04 0.00 0.00 177.00 177.39 3kx7 h PRO 19 N -0.03 0.00 -0.70 0.56 0.11 -1.95 -2.44 132.00 127.55 3kx7 h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kx7 h PRO 19 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kx7 h PRO 19 CO 0.60 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.00 3kx7 n HIS 20 N -4.05 1.02 -1.07 0.65 1.44 -1.26 -3.57 115.22 108.38 3kx7 n HIS 20 Ca 0.04 -0.37 0.05 0.00 -2.01 0.00 0.00 57.72 55.44 3kx7 n HIS 20 Cb 0.42 -0.26 0.26 0.00 0.12 0.00 0.00 29.99 30.53 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 0.41 2.92 -2.30 -1.40 4.76 -0.92 -4.77 118.16 116.86 3kx7 n LYS 21 Ca 0.15 -2.93 -0.26 0.00 -2.87 0.00 0.00 58.31 52.39 3kx7 n LYS 21 Cb 0.68 -1.90 0.05 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.91 2.95 0.23 -0.18 -4.23 -1.23 -1.93 115.64 108.33 3kx7 s THR 22 Ca 0.44 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 3kx7 s THR 22 Cb 0.36 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 71.25 3kx7 s THR 22 CO 0.08 -0.23 1.58 0.58 -0.54 0.00 0.00 174.62 176.09 3kx7 h VAL 23 N -0.38 0.13 0.00 2.29 2.07 -1.73 -1.06 116.25 117.58 3kx7 h VAL 23 Ca -0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3kx7 h VAL 23 Cb 1.29 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kx7 h VAL 23 CO 0.60 0.00 -0.05 0.08 0.02 0.00 0.00 177.57 178.22 3kx7 h ARG 24 N -0.05 0.00 0.00 1.57 0.11 -1.88 -2.06 114.38 112.08 3kx7 h ARG 24 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3kx7 h ARG 24 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 3kx7 h ARG 24 CO -0.84 0.05 -0.50 0.45 0.10 0.00 0.00 179.97 179.23 3kx7 h HIS 25 N 0.00 0.00 -0.29 4.08 3.86 -1.50 -2.75 115.15 118.55 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 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3kx7 h HIS 25 CO 0.00 0.00 -0.03 1.25 0.86 0.00 0.00 177.93 180.01 3kx7 h LEU 26 N 0.00 0.53 -6.80 2.43 5.85 -1.15 -3.37 115.31 112.79 3kx7 h LEU 26 Ca 0.00 -0.33 -0.61 0.00 0.84 0.00 0.00 57.88 57.78 3kx7 h LEU 26 Cb 0.86 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 41.35 3kx7 h LEU 26 CO 0.00 0.74 -0.76 -0.31 -0.34 0.00 0.00 178.44 177.77 3kx7 s TYR 27 N -4.90 2.28 0.51 1.25 2.02 -1.22 -4.92 117.35 112.37 3kx7 s TYR 27 Ca -0.13 -2.75 0.41 0.00 -0.37 0.00 0.00 57.07 54.23 3kx7 s TYR 27 Cb 0.08 -1.86 2.20 0.00 -0.40 0.00 0.00 41.96 41.99 3kx7 s TYR 27 CO 0.77 -0.71 2.26 -1.35 -1.57 0.00 0.00 175.55 174.95 3kx7 h PRO 28 N 5.82 0.00 0.00 -1.71 0.11 -1.66 -2.02 132.00 132.54 3kx7 h PRO 28 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kx7 h PRO 28 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kx7 h PRO 28 CO 0.53 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 3kx7 n GLU 29 N -2.97 0.06 -3.75 1.05 4.71 -1.26 -4.70 120.64 113.77 3kx7 n GLU 29 Ca -0.03 0.19 -0.37 0.00 -0.01 0.00 0.00 57.16 56.95 3kx7 n GLU 29 Cb 0.08 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.90 3kx7 n GLU 29 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3kx7 s SER 30 N -2.90 5.30 0.57 1.62 0.15 -0.76 -4.94 113.70 112.73 3kx7 s SER 30 Ca 0.10 -1.92 0.25 0.00 0.70 0.00 0.00 55.95 55.08 3kx7 s SER 30 Cb 0.11 -1.85 1.64 0.00 -1.71 0.00 0.00 66.02 64.21 3kx7 s SER 30 CO 0.29 -0.54 2.22 -0.65 1.20 0.00 0.00 173.24 175.77 3kx7 h PRO 31 N 8.11 0.00 0.00 5.44 0.10 -1.87 -2.13 132.00 141.65 3kx7 h PRO 31 Ca -0.15 0.00 -0.00 0.00 0.10 0.00 0.00 66.00 65.95 3kx7 h PRO 31 Cb 1.05 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.15 3kx7 h PRO 31 CO 0.71 0.00 -0.01 0.93 0.10 0.00 0.00 178.00 179.73 3kx7 h GLU 32 N 0.00 0.00 0.00 1.05 3.07 -1.95 -2.14 114.58 114.61 3kx7 h GLU 32 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kx7 h GLU 32 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3kx7 h GLU 32 CO 0.00 0.01 -1.10 1.19 -1.40 0.00 0.00 179.01 177.71 3kx7 n PHE 33 N -3.11 0.00 0.05 4.33 3.72 -0.81 -4.63 117.46 117.01 3kx7 n PHE 33 Ca -0.01 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.60 3kx7 n PHE 33 Cb 0.20 -0.07 0.74 0.00 -0.94 0.00 0.00 39.48 39.41 3kx7 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kx7 h ALA 34 N 2.88 2.26 -0.05 4.37 0.00 -1.39 -1.30 119.26 126.04 3kx7 h ALA 34 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kx7 h ALA 34 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kx7 h ALA 34 CO 0.00 -0.67 -0.14 0.39 0.00 0.00 0.00 179.25 178.83 3kx7 n GLU 35 N -3.94 1.56 -1.53 0.00 -0.58 -1.26 -4.97 120.64 109.93 3kx7 n GLU 35 Ca 0.09 -2.85 -0.32 0.00 -0.42 0.00 0.00 57.16 53.66 3kx7 n GLU 35 Cb 0.63 -1.59 0.06 0.00 -0.57 0.00 0.00 31.44 29.97 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 -3.00 2.78 0.45 -0.32 0.40 -0.49 -4.99 117.98 112.82 3kx7 s PHE 36 Ca 0.35 1.51 -0.23 0.00 -0.60 0.00 0.00 56.93 57.97 3kx7 s PHE 36 Cb 0.32 -3.02 -0.10 0.00 0.51 0.00 0.00 43.02 40.73 3kx7 s PHE 36 CO 0.01 -1.54 0.85 -2.30 0.70 0.00 0.00 175.22 172.93 3kx7 n PRO 37 N -3.03 1.02 -2.15 0.24 -0.02 -1.26 -4.84 135.00 124.96 3kx7 n PRO 37 Ca 0.09 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 3kx7 n PRO 37 Cb 0.53 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3kx7 n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kx7 n GLU 38 N 0.11 3.10 -4.20 -0.52 -0.58 -1.26 -4.52 120.64 112.77 3kx7 n GLU 38 Ca 0.11 -3.02 -0.17 0.00 -0.42 0.00 0.00 57.16 53.65 3kx7 n GLU 38 Cb 0.41 -3.28 -0.11 0.00 -0.57 0.00 0.00 31.44 27.89 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 2.95 1.15 -0.21 2.62 -7.23 -1.26 -4.33 120.40 114.08 3kx7 s VAL 39 Ca 0.48 -1.59 -0.38 0.00 -1.81 0.00 0.00 61.98 58.68 3kx7 s VAL 39 Cb 0.09 -1.36 -0.14 0.00 0.56 0.00 0.00 36.38 35.53 3kx7 s VAL 39 CO -0.02 -0.42 1.79 0.33 -0.31 0.00 0.00 175.10 176.48 3kx7 n PHE 40 N 0.73 2.16 -2.28 2.82 7.35 0.23 -2.56 117.46 125.90 3kx7 n PHE 40 Ca -0.17 0.34 -0.36 0.00 -0.76 0.00 0.00 57.45 56.49 3kx7 n PHE 40 Cb 0.56 -2.53 -0.01 0.00 0.35 0.00 0.00 39.48 37.85 3kx7 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kx7 s ALA 41 N 3.73 2.88 0.21 3.13 0.00 -0.81 -4.78 121.76 126.12 3kx7 s ALA 41 Ca 0.96 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 3kx7 s ALA 41 Cb -0.93 -3.37 0.20 0.00 0.00 0.00 0.00 23.12 19.02 3kx7 s ALA 41 CO 0.61 -0.66 1.86 1.15 0.00 0.00 0.00 175.76 178.71 3kx7 h THR 42 N 1.65 1.12 -0.68 0.00 2.02 -1.93 -0.12 112.91 114.97 3kx7 h THR 42 Ca -0.50 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3kx7 h THR 42 Cb 1.25 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3kx7 h THR 42 CO 0.59 0.17 0.41 1.23 0.37 0.00 0.00 175.52 178.29 3kx7 h GLY 43 N 0.93 0.97 1.34 2.16 0.00 -1.98 0.19 103.07 106.67 3kx7 h GLY 43 Ca 0.29 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3kx7 h GLY 43 CO -0.10 0.38 -0.41 0.74 0.00 0.00 0.00 176.54 177.14 3kx7 h PHE 44 N 0.93 0.87 -0.21 5.60 0.04 -1.76 -1.67 116.94 120.74 3kx7 h PHE 44 Ca 0.24 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3kx7 h PHE 44 Cb -0.05 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3kx7 h PHE 44 CO 0.00 1.02 0.14 1.98 -0.60 0.00 0.00 178.31 180.85 3kx7 h MET 45 N 0.59 0.28 -0.47 1.51 4.05 0.30 0.14 114.93 121.33 3kx7 h MET 45 Ca 0.05 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.52 3kx7 h MET 45 Cb 0.96 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.64 3kx7 h MET 45 CO 0.09 0.19 0.13 0.28 0.23 0.00 0.00 176.91 177.83 3kx7 h VAL 46 N 0.28 0.78 -0.97 -5.77 2.07 -0.67 -0.23 116.25 111.74 3kx7 h VAL 46 Ca 0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kx7 h VAL 46 Cb -0.02 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3kx7 h VAL 46 CO -0.02 0.05 0.63 1.23 0.02 0.00 0.00 177.57 179.49 3kx7 h GLY 47 N 0.28 1.38 0.99 2.17 0.00 -1.00 -0.06 103.07 106.83 3kx7 h GLY 47 Ca 0.23 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3kx7 h GLY 47 CO -0.27 0.52 0.21 -2.00 0.00 0.00 0.00 176.54 174.99 3kx7 h LEU 48 N 1.33 0.77 -0.46 3.11 5.85 -0.28 -0.26 115.31 125.38 3kx7 h LEU 48 Ca 0.36 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3kx7 h LEU 48 Cb -0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3kx7 h LEU 48 CO -0.07 0.74 0.29 0.24 -0.34 0.00 0.00 178.44 179.30 3kx7 h MET 49 N 0.76 0.61 -0.25 1.25 2.86 -0.54 -1.19 114.93 118.44 3kx7 h MET 49 Ca 0.18 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3kx7 h MET 49 Cb 0.22 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3kx7 h MET 49 CO -0.01 0.43 0.03 0.93 1.06 0.00 0.00 176.91 179.34 3kx7 h GLU 50 N 0.62 0.11 -0.64 1.72 5.08 -0.83 -2.27 114.58 118.37 3kx7 h GLU 50 Ca 0.17 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 3kx7 h GLU 50 Cb -0.04 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 3kx7 h GLU 50 CO -0.03 0.07 0.29 2.35 -1.00 0.00 0.00 179.01 180.69 3kx7 h TRP 51 N 0.11 0.52 -0.07 4.33 7.01 -0.77 0.21 115.95 127.30 3kx7 h TRP 51 Ca 0.12 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.17 3kx7 h TRP 51 Cb 0.13 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3kx7 h TRP 51 CO -0.17 0.19 -0.07 0.00 -2.79 0.00 0.00 178.44 175.59 3kx7 h ALA 52 N 1.40 -0.02 -0.52 2.65 0.00 -0.94 -0.54 119.26 121.29 3kx7 h ALA 52 Ca 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3kx7 h ALA 52 Cb 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kx7 h ALA 52 CO -0.26 -0.54 0.28 0.00 0.00 0.00 0.00 179.25 178.73 3kx7 h VAL 54 N 0.69 1.00 -0.36 0.00 2.07 -0.44 -1.38 116.25 117.83 3kx7 h VAL 54 Ca 0.18 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3kx7 h VAL 54 Cb 0.06 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3kx7 h VAL 54 CO -0.03 0.09 0.23 0.03 0.02 0.00 0.00 177.57 177.91 3kx7 h ARG 55 N 0.52 0.47 -0.92 1.57 3.08 -0.78 -2.03 114.38 116.29 3kx7 h ARG 55 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3kx7 h ARG 55 Cb 0.08 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3kx7 h ARG 55 CO -0.12 0.33 0.59 0.00 -1.07 0.00 0.00 179.97 179.71 3kx7 h ALA 56 N 1.11 1.32 0.00 0.04 0.00 -0.83 -3.06 119.26 117.84 3kx7 h ALA 56 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kx7 h ALA 56 Cb -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3kx7 h ALA 56 CO -0.03 0.62 -0.54 0.00 0.00 0.00 0.00 179.25 179.30 3kx7 n MET 57 N -4.38 0.08 -0.22 0.00 0.00 -0.56 -4.43 117.12 107.62 3kx7 n MET 57 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 57.70 57.82 3kx7 n MET 57 Cb 0.03 -1.55 0.11 0.00 0.00 0.00 0.00 33.22 31.81 3kx7 n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kx7 h ALA 58 N 2.86 0.85 0.00 3.17 0.00 -1.26 -0.35 119.26 124.53 3kx7 h ALA 58 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kx7 h ALA 58 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kx7 h ALA 58 CO 0.00 -0.10 0.00 -2.30 0.00 0.00 0.00 179.25 176.85 3kx7 n PRO 59 N -4.91 0.05 -0.28 0.00 -0.02 -1.26 -2.45 135.00 126.13 3kx7 n PRO 59 Ca 0.09 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3kx7 n PRO 59 Cb 0.24 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.43 3kx7 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kx7 n TYR 60 N -1.42 0.70 -3.83 6.00 4.01 -0.15 -4.97 117.16 117.50 3kx7 n TYR 60 Ca 0.03 -0.56 -0.37 0.00 -0.16 0.00 0.00 57.90 56.84 3kx7 n TYR 60 Cb 0.10 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.33 4.35 0.47 7.72 1.43 -1.02 -5.05 118.68 125.24 3kx7 s LEU 61 Ca 0.32 0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 3kx7 s LEU 61 Cb 0.19 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3kx7 s LEU 61 CO 0.18 0.35 1.18 -1.61 0.23 0.00 0.00 176.35 176.68 3kx7 s GLU 62 N -0.70 3.69 0.20 1.70 0.41 -1.26 -4.95 118.70 117.79 3kx7 s GLU 62 Ca 0.14 1.81 -0.32 0.00 -0.41 0.00 0.00 54.97 56.18 3kx7 s GLU 62 Cb -0.12 -2.38 -0.15 0.00 -1.78 0.00 0.00 34.13 29.71 3kx7 s GLU 62 CO 0.03 -0.62 1.27 -2.30 -0.49 0.00 0.00 175.26 173.15 3kx7 n PRO 63 N -0.57 1.57 -0.72 0.39 -0.02 -1.26 -1.50 135.00 132.89 3kx7 n PRO 63 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3kx7 n PRO 63 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.08 0.79 3.88 -1.23 0.00 -1.26 -5.05 105.19 104.40 3kx7 n GLY 64 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.28 3.19 0.00 1.61 2.02 -0.57 -1.67 118.70 123.02 3kx7 s GLU 65 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.22 3kx7 s GLU 65 Cb 0.00 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.43 3kx7 s GLU 65 CO 0.00 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.17 3kx7 n GLY 66 N -0.66 4.92 3.32 -1.39 0.00 -0.04 -4.81 105.19 106.54 3kx7 n GLY 66 Ca -0.08 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 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 1.17 -0.04 0.02 1.61 1.04 -1.26 -0.81 113.70 115.42 3kx7 s SER 67 Ca 0.00 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.84 3kx7 s SER 67 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3kx7 s SER 67 CO 0.00 -0.86 -0.11 -0.76 0.98 0.00 0.00 173.24 172.49 3kx7 s LEU 68 N -2.89 2.13 0.24 2.42 1.43 -0.17 -4.88 118.68 116.96 3kx7 s LEU 68 Ca 0.09 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 3kx7 s LEU 68 Cb 0.03 -0.45 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 3kx7 s LEU 68 CO -0.06 0.01 1.22 -0.83 0.23 0.00 0.00 176.35 176.92 3kx7 s GLY 69 N -0.86 2.78 0.00 -3.19 0.00 -1.26 -0.72 107.32 104.06 3kx7 s GLY 69 Ca -0.00 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3kx7 s GLY 69 CO 0.00 1.83 0.00 -1.30 0.00 0.00 0.00 173.10 173.63 3kx7 n THR 70 N 1.91 0.00 -3.57 0.90 -2.24 0.21 -4.90 114.28 106.59 3kx7 n THR 70 Ca 0.03 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 3kx7 n THR 70 Cb 0.44 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.06 -1.84 -0.03 6.98 0.00 -1.18 -4.95 121.76 119.69 3kx7 s ALA 71 Ca 0.00 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 3kx7 s ALA 71 Cb 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.56 3kx7 s ALA 71 CO 0.00 -0.33 0.05 -1.50 0.00 0.00 0.00 175.76 173.98 3kx7 s ILE 72 N -0.69 -0.06 -0.30 0.00 1.10 -1.26 -1.95 121.20 118.04 3kx7 s ILE 72 Ca -0.05 0.22 -0.03 0.00 -0.51 0.00 0.00 60.65 60.28 3kx7 s ILE 72 Cb -0.02 -0.11 0.11 0.00 0.15 0.00 0.00 42.46 42.59 3kx7 s ILE 72 CO 0.04 0.09 0.15 0.00 -2.11 0.00 0.00 174.94 173.11 3kx7 s VAL 74 N 2.04 0.33 0.28 0.00 -7.23 -1.26 -0.57 120.40 113.99 3kx7 s VAL 74 Ca 0.10 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.52 3kx7 s VAL 74 Cb -0.16 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 3kx7 s VAL 74 CO -0.33 -0.96 0.34 0.42 -0.31 0.00 0.00 175.10 174.26 3kx7 s THR 75 N -3.78 4.59 -0.30 5.32 -4.23 -0.44 -4.95 115.64 111.85 3kx7 s THR 75 Ca 0.07 -1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 3kx7 s THR 75 Cb 0.07 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.44 3kx7 s THR 75 CO -0.09 -0.28 0.14 -2.28 -0.54 0.00 0.00 174.62 171.58 3kx7 s HIS 76 N -2.10 0.48 -0.74 3.99 2.46 -1.26 -3.18 115.29 114.94 3kx7 s HIS 76 Ca 0.37 -1.03 0.11 0.00 0.47 0.00 0.00 55.06 54.98 3kx7 s HIS 76 Cb -0.08 -0.97 -0.08 0.00 -0.13 0.00 0.00 32.58 31.32 3kx7 s HIS 76 CO 0.28 -0.83 0.56 0.25 -2.47 0.00 0.00 174.74 172.53 3kx7 n THR 77 N 5.08 0.00 -3.74 0.89 -2.24 0.67 -4.98 114.28 109.96 3kx7 n THR 77 Ca -0.04 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 3kx7 n THR 77 Cb 0.41 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 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 -1.87 -0.71 -0.02 6.98 0.00 -1.24 -4.99 121.76 119.92 3kx7 s ALA 78 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3kx7 s ALA 78 Cb 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3kx7 s ALA 78 CO 0.40 -0.43 0.11 0.00 0.00 0.00 0.00 175.76 175.84 3kx7 s ALA 79 N -2.66 3.69 -0.20 0.00 0.00 -1.26 -4.80 121.76 116.53 3kx7 s ALA 79 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3kx7 s ALA 79 Cb -0.00 -1.69 0.05 0.00 0.00 0.00 0.00 23.12 21.47 3kx7 s ALA 79 CO -0.04 0.69 -0.06 0.99 0.00 0.00 0.00 175.76 177.34 3kx7 s THR 80 N -1.19 1.33 0.66 0.00 2.01 -1.26 -5.00 115.64 112.19 3kx7 s THR 80 Ca 0.22 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 3kx7 s THR 80 Cb -0.12 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 3kx7 s THR 80 CO 0.13 0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 172.99 3kx7 s PRO 81 N 1.51 3.10 0.40 4.92 0.04 -1.26 -0.60 135.00 143.10 3kx7 s PRO 81 Ca -0.02 0.98 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 3kx7 s PRO 81 Cb -0.17 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3kx7 s PRO 81 CO -0.07 -0.97 1.05 -2.30 0.04 0.00 0.00 177.00 174.74 3kx7 n PRO 82 N -2.86 1.45 0.00 0.56 -0.02 -1.26 -3.45 135.00 129.42 3kx7 n PRO 82 Ca 0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kx7 n PRO 82 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.13 1.81 3.82 -1.23 0.00 0.11 -4.99 105.19 105.84 3kx7 n GLY 83 Ca 0.09 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 3.46 -0.29 0.99 1.43 -1.22 -4.71 118.68 118.35 3kx7 s LEU 84 Ca 0.00 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 3kx7 s LEU 84 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 3kx7 s LEU 84 CO 0.00 -1.06 0.36 -0.89 0.23 0.00 0.00 176.35 174.99 3kx7 s THR 85 N -2.61 5.18 -0.28 5.49 2.01 -1.25 -1.25 115.64 122.93 3kx7 s THR 85 Ca 0.61 0.43 -0.22 0.00 0.31 0.00 0.00 61.69 62.82 3kx7 s THR 85 Cb -0.14 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 3kx7 s THR 85 CO 0.39 0.10 0.73 -0.69 -0.69 0.00 0.00 174.62 174.47 3kx7 s VAL 86 N 2.05 4.87 -0.29 3.82 1.01 0.38 -3.66 120.40 128.58 3kx7 s VAL 86 Ca 0.14 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 3kx7 s VAL 86 Cb -0.16 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3kx7 s VAL 86 CO 0.10 -0.13 0.15 -0.89 0.00 0.00 0.00 175.10 174.34 3kx7 s THR 87 N 2.77 4.81 -0.22 3.92 2.01 0.08 -0.93 115.64 128.08 3kx7 s THR 87 Ca 0.30 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.03 3kx7 s THR 87 Cb -0.15 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3kx7 s THR 87 CO 0.10 0.19 0.25 -0.69 -0.69 0.00 0.00 174.62 173.79 3kx7 s VAL 88 N 1.67 5.30 -0.22 3.82 1.01 -0.17 -1.69 120.40 130.12 3kx7 s VAL 88 Ca 0.06 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 3kx7 s VAL 88 Cb -0.16 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3kx7 s VAL 88 CO 0.07 0.32 0.08 -0.89 0.00 0.00 0.00 175.10 174.68 3kx7 s THR 89 N 1.07 4.63 -0.18 3.92 2.01 0.27 -1.10 115.64 126.27 3kx7 s THR 89 Ca 0.12 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 3kx7 s THR 89 Cb -0.14 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 3kx7 s THR 89 CO 0.05 0.38 -0.11 0.00 -0.69 0.00 0.00 174.62 174.25 3kx7 s ALA 90 N 1.09 2.61 -0.17 7.40 0.00 0.11 -1.32 121.76 131.49 3kx7 s ALA 90 Ca 0.05 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3kx7 s ALA 90 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3kx7 s ALA 90 CO 0.03 -0.19 -0.20 -2.00 0.00 0.00 0.00 175.76 173.41 3kx7 s GLU 91 N 1.07 3.03 0.02 0.00 2.12 0.05 0.08 118.70 125.07 3kx7 s GLU 91 Ca -0.00 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 3kx7 s GLU 91 Cb -0.15 -2.55 -0.06 0.00 0.26 0.00 0.00 34.13 31.64 3kx7 s GLU 91 CO -0.03 -0.13 1.41 -1.17 -0.54 0.00 0.00 175.26 174.80 3kx7 s LEU 92 N 1.12 4.33 -0.24 2.70 2.96 -0.50 -0.16 118.68 128.89 3kx7 s LEU 92 Ca 0.01 2.16 0.06 0.00 -0.22 0.00 0.00 54.13 56.13 3kx7 s LEU 92 Cb -0.14 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.80 3kx7 s LEU 92 CO -0.08 -0.72 -0.15 0.54 -1.32 0.00 0.00 176.35 174.62 3kx7 n ARG 93 N 5.23 0.67 -3.47 1.98 5.12 0.12 -0.17 116.66 126.14 3kx7 n ARG 93 Ca 0.13 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 56.03 3kx7 n ARG 93 Cb 0.43 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 3kx7 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kx7 s SER 94 N -6.19 -0.53 -0.34 0.55 1.04 -1.06 -4.83 113.70 102.34 3kx7 s SER 94 Ca -0.28 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 3kx7 s SER 94 Cb 0.08 0.52 0.13 0.00 0.10 0.00 0.00 66.02 66.85 3kx7 s SER 94 CO 0.65 -0.78 0.19 -0.69 0.98 0.00 0.00 173.24 173.59 3kx7 s VAL 95 N -2.88 0.21 -1.04 5.02 1.01 -1.26 -1.49 120.40 119.97 3kx7 s VAL 95 Ca -0.01 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 3kx7 s VAL 95 Cb -0.01 -1.17 0.31 0.00 0.00 0.00 0.00 36.38 35.51 3kx7 s VAL 95 CO -0.06 -0.91 1.89 -1.84 0.00 0.00 0.00 175.10 174.18 3kx7 n GLU 96 N 4.33 5.20 0.00 2.72 0.28 0.76 -4.94 120.64 129.00 3kx7 n GLU 96 Ca 0.07 -4.49 0.00 0.00 -0.16 0.00 0.00 57.16 52.58 3kx7 n GLU 96 Cb 0.38 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.79 3kx7 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kx7 n GLY 97 N 0.04 1.67 0.02 -1.84 0.00 -1.26 -3.69 105.19 100.12 3kx7 n GLY 97 Ca 0.49 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3kx7 n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kx7 n ARG 98 N 0.00 0.06 -4.20 1.61 -4.01 -1.26 -4.88 116.66 103.98 3kx7 n ARG 98 Ca 0.00 0.02 -0.34 0.00 -1.04 0.00 0.00 57.85 56.49 3kx7 n ARG 98 Cb 0.00 -1.55 -0.13 0.00 -3.04 0.00 0.00 32.46 27.74 3kx7 n ARG 98 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 3kx7 s ARG 99 N -3.03 3.53 -0.05 2.89 1.04 -1.24 -0.21 118.95 121.87 3kx7 s ARG 99 Ca 0.11 -0.57 0.06 0.00 -1.04 0.00 0.00 55.73 54.29 3kx7 s ARG 99 Cb 0.17 -2.96 -0.02 0.00 -2.04 0.00 0.00 34.95 30.10 3kx7 s ARG 99 CO 0.65 0.03 -0.24 -0.51 -0.04 0.00 0.00 175.30 175.20 3kx7 s LEU 100 N 0.90 2.14 -0.08 -1.89 1.02 -0.00 -0.17 118.68 120.60 3kx7 s LEU 100 Ca -0.00 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.72 3kx7 s LEU 100 Cb -0.15 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.68 3kx7 s LEU 100 CO 0.01 0.28 -0.20 -0.55 0.02 0.00 0.00 176.35 175.91 3kx7 s SER 101 N -0.35 2.63 0.00 2.29 0.15 -0.56 -0.49 113.70 117.36 3kx7 s SER 101 Ca 0.02 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.29 3kx7 s SER 101 Cb -0.12 -1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 63.12 3kx7 s SER 101 CO 0.02 0.14 -0.24 0.26 1.20 0.00 0.00 173.24 174.62 3kx7 s TRP 102 N 0.28 2.11 -0.17 3.44 0.52 0.26 0.13 118.94 125.51 3kx7 s TRP 102 Ca -0.13 -0.40 -0.24 0.00 0.02 0.00 0.00 56.10 55.36 3kx7 s TRP 102 Cb -0.16 -1.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3kx7 s TRP 102 CO 0.06 0.01 0.75 0.50 0.02 0.00 0.00 176.95 178.29 3kx7 s ARG 103 N -0.76 4.28 -0.04 4.98 3.52 0.78 -1.33 118.95 130.37 3kx7 s ARG 103 Ca 0.09 0.87 0.04 0.00 -0.13 0.00 0.00 55.73 56.60 3kx7 s ARG 103 Cb -0.09 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3kx7 s ARG 103 CO -0.00 -0.27 -0.14 0.14 -0.81 0.00 0.00 175.30 174.22 3kx7 s VAL 104 N 1.98 3.10 0.04 7.11 -7.23 0.54 -0.77 120.40 125.17 3kx7 s VAL 104 Ca 0.35 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.71 3kx7 s VAL 104 Cb -0.16 -2.23 -0.00 0.00 0.56 0.00 0.00 36.38 34.55 3kx7 s VAL 104 CO 0.12 0.57 0.15 -0.94 -0.31 0.00 0.00 175.10 174.69 3kx7 s SER 105 N -0.80 0.10 -0.02 4.85 1.04 -0.43 -0.63 113.70 117.81 3kx7 s SER 105 Ca 0.12 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 3kx7 s SER 105 Cb -0.11 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3kx7 s SER 105 CO 0.01 -0.52 0.10 0.00 0.98 0.00 0.00 173.24 173.80 3kx7 s ALA 106 N -2.49 -0.22 -0.03 5.32 0.00 0.21 -0.56 121.76 123.98 3kx7 s ALA 106 Ca -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 3kx7 s ALA 106 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3kx7 s ALA 106 CO -0.04 -0.12 0.14 -1.58 0.00 0.00 0.00 175.76 174.16 3kx7 s HIS 107 N -0.68 -0.06 -0.26 0.00 5.04 -0.68 -0.89 115.29 117.76 3kx7 s HIS 107 Ca -0.08 0.14 0.16 0.00 -1.54 0.00 0.00 55.06 53.75 3kx7 s HIS 107 Cb -0.05 0.00 0.52 0.00 0.04 0.00 0.00 32.58 33.09 3kx7 s HIS 107 CO 0.00 -0.17 1.41 -0.40 -2.34 0.00 0.00 174.74 173.24 3kx7 n ASP 108 N 2.27 3.84 0.00 9.88 5.68 -0.44 -0.74 116.55 137.05 3kx7 n ASP 108 Ca -0.17 -2.91 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 3kx7 n ASP 108 Cb 0.57 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 -0.37 3.15 0.53 6.12 0.00 -1.24 -3.92 105.19 109.47 3kx7 n GLY 109 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.75 -4.15 1.61 0.31 -1.26 -5.07 118.33 108.52 3kx7 n VAL 110 Ca 0.00 -0.20 -0.17 0.00 -0.01 0.00 0.00 64.34 63.96 3kx7 n VAL 110 Cb 0.00 -1.62 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 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 -6.15 1.46 0.23 4.52 1.01 -1.26 -5.11 116.67 111.37 3kx7 s ASP 111 Ca -0.19 -0.63 -0.31 0.00 0.71 0.00 0.00 52.55 52.13 3kx7 s ASP 111 Cb 0.07 -0.02 -0.11 0.00 1.01 0.00 0.00 42.92 43.87 3kx7 s ASP 111 CO 0.25 -0.13 1.59 -1.61 0.21 0.00 0.00 175.17 175.47 3kx7 s GLU 112 N -1.84 4.17 -0.01 8.23 0.41 -1.26 -1.32 118.70 127.08 3kx7 s GLU 112 Ca -0.03 2.48 0.11 0.00 -0.41 0.00 0.00 54.97 57.11 3kx7 s GLU 112 Cb -0.09 -3.08 -0.14 0.00 -1.78 0.00 0.00 34.13 29.04 3kx7 s GLU 112 CO 0.02 -0.61 0.36 0.44 -0.49 0.00 0.00 175.26 174.98 3kx7 n ILE 113 N 3.07 0.00 0.00 -1.63 -5.35 -0.07 -4.25 119.36 111.13 3kx7 n ILE 113 Ca 0.11 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3kx7 n ILE 113 Cb 0.38 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 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 1.51 2.34 3.71 3.28 0.00 -1.16 -0.24 105.19 114.63 3kx7 n GLY 114 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.33 0.00 1.61 1.04 -1.19 -0.62 113.70 114.21 3kx7 s SER 115 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3kx7 s SER 115 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3kx7 s SER 115 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3kx7 n GLY 116 N -0.43 -0.51 3.24 7.32 0.00 0.20 -1.33 105.19 113.69 3kx7 n GLY 116 Ca -0.08 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.00 1.49 -0.05 2.61 -4.23 0.27 -0.34 115.64 111.39 3kx7 s THR 117 Ca 0.00 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3kx7 s THR 117 Cb 0.00 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.48 3kx7 s THR 117 CO 0.00 -0.14 0.09 -2.28 -0.54 0.00 0.00 174.62 171.75 3kx7 s HIS 118 N -1.28 -0.06 -0.07 3.99 5.04 -0.44 -0.80 115.29 121.66 3kx7 s HIS 118 Ca 0.04 0.32 -0.00 0.00 -1.54 0.00 0.00 55.06 53.88 3kx7 s HIS 118 Cb -0.10 -0.20 -0.03 0.00 0.04 0.00 0.00 32.58 32.29 3kx7 s HIS 118 CO 0.04 -0.14 -0.04 -1.21 -2.34 0.00 0.00 174.74 171.04 3kx7 s GLU 119 N 1.31 2.83 0.13 2.88 8.01 -0.82 -0.58 118.70 132.46 3kx7 s GLU 119 Ca -0.07 -0.51 0.06 0.00 0.01 0.00 0.00 54.97 54.46 3kx7 s GLU 119 Cb -0.12 -2.67 -0.04 0.00 -4.31 0.00 0.00 34.13 26.99 3kx7 s GLU 119 CO -0.04 0.67 -0.13 1.03 0.01 0.00 0.00 175.26 176.80 3kx7 s ARG 120 N -0.91 1.04 -0.09 1.61 0.52 0.35 -0.62 118.95 120.85 3kx7 s ARG 120 Ca 0.13 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.07 3kx7 s ARG 120 Cb -0.11 -0.84 0.01 0.00 0.52 0.00 0.00 34.95 34.53 3kx7 s ARG 120 CO 0.02 0.15 -0.15 0.00 0.02 0.00 0.00 175.30 175.35 3kx7 s ALA 121 N -2.42 1.58 0.26 2.13 0.00 0.10 -0.82 121.76 122.58 3kx7 s ALA 121 Ca 0.11 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3kx7 s ALA 121 Cb -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.25 3kx7 s ALA 121 CO 0.03 0.02 1.36 0.08 0.00 0.00 0.00 175.76 177.24 3kx7 s VAL 122 N 0.83 2.84 0.14 0.00 1.01 0.70 -1.00 120.40 124.93 3kx7 s VAL 122 Ca -0.10 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.67 3kx7 s VAL 122 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3kx7 s VAL 122 CO 0.01 0.13 -0.12 0.27 0.00 0.00 0.00 175.10 175.39 3kx7 s ILE 123 N -0.32 1.30 -0.40 2.22 -4.36 0.01 -4.91 121.20 114.75 3kx7 s ILE 123 Ca 0.55 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.83 3kx7 s ILE 123 Cb -0.40 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.62 3kx7 s ILE 123 CO 0.45 -0.58 0.65 -2.28 0.24 0.00 0.00 174.94 173.42 3kx7 s HIS 124 N -2.72 3.10 0.27 1.37 2.46 -1.26 -0.86 115.29 117.65 3kx7 s HIS 124 Ca 0.13 0.17 -0.02 0.00 0.47 0.00 0.00 55.06 55.81 3kx7 s HIS 124 Cb -0.01 -3.27 0.41 0.00 -0.13 0.00 0.00 32.58 29.58 3kx7 s HIS 124 CO 0.02 -0.76 1.88 -0.07 -2.47 0.00 0.00 174.74 173.35 3kx7 h LEU 125 N 9.57 1.04 0.09 8.88 3.38 -1.63 0.06 115.31 136.70 3kx7 h LEU 125 Ca -0.26 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.45 3kx7 h LEU 125 Cb 1.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3kx7 h LEU 125 CO 0.87 0.66 -1.28 -0.33 0.09 0.00 0.00 178.44 178.45 3kx7 h GLU 126 N 1.18 0.19 -0.25 1.13 3.07 -1.94 -1.02 114.58 116.93 3kx7 h GLU 126 Ca 0.44 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3kx7 h GLU 126 Cb 0.18 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3kx7 h GLU 126 CO -0.18 1.10 0.11 -0.22 -1.40 0.00 0.00 179.01 178.43 3kx7 h LYS 127 N 0.05 0.36 -0.17 2.33 3.64 -1.84 -3.01 116.57 117.94 3kx7 h LYS 127 Ca -0.14 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3kx7 h LYS 127 Cb 1.94 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.69 3kx7 h LYS 127 CO 0.17 0.38 0.06 0.35 -2.27 0.00 0.00 179.45 178.14 3kx7 h PHE 128 N 0.26 0.28 -0.58 1.91 3.57 -0.90 -2.55 116.94 118.93 3kx7 h PHE 128 Ca 0.08 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.67 3kx7 h PHE 128 Cb 0.14 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3kx7 h PHE 128 CO -0.02 0.37 0.39 -0.91 -2.23 0.00 0.00 178.31 175.91 3kx7 h ASN 129 N 0.10 0.29 -0.14 0.41 2.35 -1.24 -0.54 115.58 116.81 3kx7 h ASN 129 Ca 0.06 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3kx7 h ASN 129 Cb 0.22 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kx7 h ASN 129 CO -0.00 0.17 -0.12 0.00 -1.65 0.00 0.00 177.43 175.83 3kx7 h ALA 130 N 1.71 0.20 0.00 -0.83 0.00 -1.33 -2.27 119.26 116.75 3kx7 h ALA 130 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kx7 h ALA 130 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kx7 h ALA 130 CO -0.06 0.06 0.00 1.17 0.00 0.00 0.00 179.25 180.41 3kx7 n LYS 131 N -4.59 0.33 -0.03 0.00 4.81 -0.86 -2.67 118.16 115.16 3kx7 n LYS 131 Ca -0.06 0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.36 3kx7 n LYS 131 Cb 0.34 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 3kx7 n LYS 131 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3kx7 n VAL 132 N -1.33 1.23 0.27 3.15 3.14 -0.27 -4.15 118.33 120.38 3kx7 n VAL 132 Ca 0.12 -0.75 0.17 0.00 -2.96 0.00 0.00 64.34 60.93 3kx7 n VAL 132 Cb 0.25 -0.65 0.88 0.00 -1.06 0.00 0.00 33.84 33.26 3kx7 n VAL 132 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3kx7 h ARG 133 N 0.00 0.00 0.08 1.45 3.08 -1.18 -2.96 114.38 114.85 3kx7 h ARG 133 Ca -0.29 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.43 3kx7 h ARG 133 Cb 1.83 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.85 3kx7 h ARG 133 CO 0.04 0.00 -1.80 -0.56 -1.07 0.00 0.00 179.97 176.58 3kx7 h GLN 134 N 0.00 0.17 -0.01 0.04 3.07 -1.71 -3.23 115.11 113.43 3kx7 h GLN 134 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 58.65 58.46 3kx7 h GLN 134 Cb 0.08 0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3kx7 h GLN 134 CO 0.00 0.93 0.00 0.36 0.09 0.00 0.00 178.83 180.21 3kx7 n LYS 135 N -3.32 1.12 -2.15 0.06 2.85 -1.18 -4.78 118.16 110.76 3kx7 n LYS 135 Ca -0.23 -0.18 -0.42 0.00 -1.05 0.00 0.00 58.31 56.42 3kx7 n LYS 135 Cb 1.05 -1.44 -0.03 0.00 -0.65 0.00 0.00 35.03 33.96 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 -1.99 3.68 -2.00 0.58 2.01 -1.12 -5.14 115.64 111.65 3kx7 s THR 136 Ca 0.41 0.97 0.23 0.00 0.31 0.00 0.00 61.69 63.60 3kx7 s THR 136 Cb 0.19 -3.62 0.65 0.00 0.01 0.00 0.00 72.50 69.73 3kx7 s THR 136 CO 0.32 -0.04 1.73 -0.81 -0.69 0.00 0.00 174.62 175.13