#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kv8 s ARG 6 N 0.00 4.27 0.27 0.03 1.70 -1.26 -5.04 118.95 118.93 3kv8 s ARG 6 Ca 0.00 0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.12 3kv8 s ARG 6 Cb 0.00 -3.43 -0.10 0.00 -0.57 0.00 0.00 34.95 30.85 3kv8 s ARG 6 CO 0.00 0.22 1.37 0.08 -1.08 0.00 0.00 175.30 175.89 3kv8 s VAL 7 N 0.50 2.76 0.00 4.99 1.01 -1.26 -2.59 120.40 125.81 3kv8 s VAL 7 Ca 0.18 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3kv8 s VAL 7 Cb -0.13 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3kv8 s VAL 7 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3kv8 n GLY 8 N 1.68 1.41 3.75 4.51 0.00 0.90 -4.98 105.19 112.45 3kv8 n GLY 8 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kv8 n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kv8 s GLU 9 N -0.56 4.50 -0.13 1.61 2.12 -1.07 -4.81 118.70 120.36 3kv8 s GLU 9 Ca 0.00 1.90 -0.03 0.00 0.36 0.00 0.00 54.97 57.20 3kv8 s GLU 9 Cb 0.00 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 3kv8 s GLU 9 CO 0.00 -0.04 -0.02 1.03 -0.54 0.00 0.00 175.26 175.69 3kv8 s ARG 10 N -0.64 3.42 -0.02 4.30 0.52 -1.26 -2.48 118.95 122.80 3kv8 s ARG 10 Ca 0.51 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 3kv8 s ARG 10 Cb -0.33 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 3kv8 s ARG 10 CO 0.39 0.42 -0.19 -0.06 0.02 0.00 0.00 175.30 175.89 3kv8 s PHE 11 N -0.12 1.69 0.19 -0.53 0.40 0.47 -4.97 117.98 115.12 3kv8 s PHE 11 Ca 0.03 -0.34 0.11 0.00 -0.60 0.00 0.00 56.93 56.14 3kv8 s PHE 11 Cb -0.13 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 3kv8 s PHE 11 CO 0.02 -0.04 -0.23 0.95 0.70 0.00 0.00 175.22 176.62 3kv8 s THR 12 N -0.39 2.29 -0.07 0.64 -4.23 -1.26 -0.66 115.64 111.95 3kv8 s THR 12 Ca 0.06 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3kv8 s THR 12 Cb -0.08 -2.09 0.04 0.00 1.34 0.00 0.00 72.50 71.72 3kv8 s THR 12 CO -0.00 -0.14 0.13 -2.28 -0.54 0.00 0.00 174.62 171.79 3kv8 s HIS 13 N -1.72 -0.12 0.02 3.99 5.04 -0.06 -4.98 115.29 117.46 3kv8 s HIS 13 Ca 0.20 0.50 0.02 0.00 -1.54 0.00 0.00 55.06 54.24 3kv8 s HIS 13 Cb -0.08 -0.27 -0.04 0.00 0.04 0.00 0.00 32.58 32.24 3kv8 s HIS 13 CO 0.09 -0.23 0.00 -0.51 -2.34 0.00 0.00 174.74 171.76 3kv8 s ASP 14 N 2.01 5.12 -0.23 9.88 1.01 -1.26 -0.58 116.67 132.61 3kv8 s ASP 14 Ca 0.01 -0.04 -0.06 0.00 0.71 0.00 0.00 52.55 53.17 3kv8 s ASP 14 Cb -0.12 -1.32 0.11 0.00 1.01 0.00 0.00 42.92 42.61 3kv8 s ASP 14 CO -0.05 0.26 0.45 0.12 0.21 0.00 0.00 175.17 176.15 3kv8 s PHE 15 N -1.14 -0.93 -0.14 4.23 5.36 -0.28 -4.99 117.98 120.09 3kv8 s PHE 15 Ca 0.21 1.47 -0.29 0.00 -0.96 0.00 0.00 56.93 57.35 3kv8 s PHE 15 Cb -0.12 0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.86 3kv8 s PHE 15 CO 0.12 -0.59 1.18 0.08 -1.46 0.00 0.00 175.22 174.56 3kv8 s VAL 16 N 2.65 4.39 -0.22 3.12 1.01 -1.26 -0.31 120.40 129.78 3kv8 s VAL 16 Ca 0.03 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 3kv8 s VAL 16 Cb -0.13 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3kv8 s VAL 16 CO -0.15 -0.10 1.50 -0.69 0.00 0.00 0.00 175.10 175.66 3kv8 s VAL 17 N 2.97 3.87 0.74 2.92 1.01 -0.28 -4.90 120.40 126.73 3kv8 s VAL 17 Ca 0.53 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 3kv8 s VAL 17 Cb -0.21 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.42 3kv8 s VAL 17 CO 0.15 -0.29 1.06 -2.16 0.00 0.00 0.00 175.10 173.86 3kv8 s PRO 18 N 4.33 1.98 0.49 2.72 0.04 -1.26 -0.18 135.00 143.13 3kv8 s PRO 18 Ca 0.66 -0.28 0.15 0.00 0.04 0.00 0.00 61.00 61.56 3kv8 s PRO 18 Cb -0.23 -2.12 1.18 0.00 0.04 0.00 0.00 34.50 33.37 3kv8 s PRO 18 CO 0.26 -1.41 2.11 -1.35 0.04 0.00 0.00 177.00 176.64 3kv8 h PRO 19 N -0.75 0.14 -0.55 0.56 0.11 -1.95 -2.78 132.00 126.78 3kv8 h PRO 19 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kv8 h PRO 19 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kv8 h PRO 19 CO 0.58 0.09 0.00 -2.39 -0.21 0.00 0.00 178.00 176.07 3kv8 n HIS 20 N -4.51 0.18 -1.14 0.65 1.44 -1.26 -3.42 115.22 107.16 3kv8 n HIS 20 Ca 0.00 -0.07 0.05 0.00 -2.01 0.00 0.00 57.72 55.69 3kv8 n HIS 20 Cb 0.14 -0.08 0.23 0.00 0.12 0.00 0.00 29.99 30.40 3kv8 n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kv8 n LYS 21 N -0.08 2.45 -2.45 -1.40 4.76 -1.05 -4.76 118.16 115.64 3kv8 n LYS 21 Ca 0.03 -2.92 -0.23 0.00 -2.87 0.00 0.00 58.31 52.32 3kv8 n LYS 21 Cb 0.22 -1.81 0.07 0.00 -1.84 0.00 0.00 35.03 31.67 3kv8 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kv8 s THR 22 N -2.96 2.39 0.20 -0.18 -4.23 -1.22 -2.85 115.64 106.79 3kv8 s THR 22 Ca 0.42 -0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 60.26 3kv8 s THR 22 Cb 0.36 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 71.46 3kv8 s THR 22 CO 0.06 0.00 1.60 0.58 -0.54 0.00 0.00 174.62 176.31 3kv8 h VAL 23 N -0.35 0.22 -0.21 2.29 2.07 -1.60 -1.55 116.25 117.13 3kv8 h VAL 23 Ca -0.42 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3kv8 h VAL 23 Cb 1.29 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3kv8 h VAL 23 CO 0.52 0.00 0.19 0.08 0.02 0.00 0.00 177.57 178.38 3kv8 h ARG 24 N -0.12 0.00 0.00 1.57 0.11 -1.87 -1.31 114.38 112.76 3kv8 h ARG 24 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3kv8 h ARG 24 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3kv8 h ARG 24 CO -0.68 0.00 -0.43 0.45 0.10 0.00 0.00 179.97 179.41 3kv8 h HIS 25 N 0.00 0.00 -0.32 4.08 3.86 -1.58 -2.90 115.15 118.29 3kv8 h HIS 25 Ca 0.10 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3kv8 h HIS 25 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3kv8 h HIS 25 CO 0.00 0.00 -0.09 1.25 0.86 0.00 0.00 177.93 179.95 3kv8 h LEU 26 N 0.00 0.63 -6.91 2.43 5.85 -1.04 -3.37 115.31 112.90 3kv8 h LEU 26 Ca 0.00 -0.37 -0.61 0.00 0.84 0.00 0.00 57.88 57.74 3kv8 h LEU 26 Cb 0.87 -0.17 -0.40 0.00 0.37 0.00 0.00 40.66 41.33 3kv8 h LEU 26 CO 0.00 0.86 -0.76 -0.31 -0.34 0.00 0.00 178.44 177.89 3kv8 s TYR 27 N -4.74 1.89 0.45 1.25 2.02 -1.24 -4.96 117.35 112.03 3kv8 s TYR 27 Ca -0.13 -2.40 0.37 0.00 -0.37 0.00 0.00 57.07 54.54 3kv8 s TYR 27 Cb 0.09 -1.77 1.89 0.00 -0.40 0.00 0.00 41.96 41.77 3kv8 s TYR 27 CO 0.79 -0.77 2.20 -1.35 -1.57 0.00 0.00 175.55 174.84 3kv8 h PRO 28 N 6.58 0.00 0.00 -1.71 0.11 -1.68 -1.92 132.00 133.38 3kv8 h PRO 28 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3kv8 h PRO 28 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3kv8 h PRO 28 CO 0.47 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.43 3kv8 n GLU 29 N -3.25 0.58 -3.60 1.05 0.00 -1.26 -4.73 120.64 109.43 3kv8 n GLU 29 Ca -0.02 0.03 -0.40 0.00 0.00 0.00 0.00 57.16 56.77 3kv8 n GLU 29 Cb 0.17 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.00 3kv8 n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kv8 s SER 30 N -2.31 5.76 0.44 -1.84 0.15 -0.72 -4.94 113.70 110.24 3kv8 s SER 30 Ca 0.31 -0.62 0.15 0.00 0.70 0.00 0.00 55.95 56.49 3kv8 s SER 30 Cb 0.18 -2.05 0.98 0.00 -1.71 0.00 0.00 66.02 63.41 3kv8 s SER 30 CO 0.35 -0.26 1.97 -0.65 1.20 0.00 0.00 173.24 175.85 3kv8 h PRO 31 N 8.43 0.00 -0.62 5.44 0.11 -1.87 -2.48 132.00 141.01 3kv8 h PRO 31 Ca -0.30 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3kv8 h PRO 31 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3kv8 h PRO 31 CO 0.64 0.21 0.15 0.93 -0.21 0.00 0.00 178.00 179.71 3kv8 h GLU 32 N 0.00 1.00 0.00 1.05 3.07 -1.95 -3.01 114.58 114.74 3kv8 h GLU 32 Ca -0.00 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.55 3kv8 h GLU 32 Cb 0.37 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3kv8 h GLU 32 CO 0.03 0.91 -0.30 0.74 -1.40 0.00 0.00 179.01 178.98 3kv8 h PHE 33 N 0.91 0.00 0.00 4.33 0.05 -1.78 -3.16 116.94 117.29 3kv8 h PHE 33 Ca 0.19 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 3kv8 h PHE 33 Cb 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.31 3kv8 h PHE 33 CO 0.03 0.30 -0.09 0.00 -0.18 0.00 0.00 178.31 178.37 3kv8 h ALA 34 N 1.70 1.06 -0.42 2.45 0.00 -1.31 -2.02 119.26 120.72 3kv8 h ALA 34 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kv8 h ALA 34 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kv8 h ALA 34 CO 0.04 0.11 0.00 -0.85 0.00 0.00 0.00 179.25 178.55 3kv8 n GLU 35 N -3.28 2.49 -1.61 0.00 0.28 -1.19 -4.94 120.64 112.39 3kv8 n GLU 35 Ca -0.00 -2.25 -0.32 0.00 -0.16 0.00 0.00 57.16 54.42 3kv8 n GLU 35 Cb 0.30 -1.51 0.06 0.00 1.43 0.00 0.00 31.44 31.71 3kv8 n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3kv8 s PHE 36 N -1.46 2.80 0.60 -1.84 2.99 -0.76 -5.01 117.98 115.30 3kv8 s PHE 36 Ca 0.40 1.51 -0.19 0.00 0.00 0.00 0.00 56.93 58.65 3kv8 s PHE 36 Cb 0.23 -3.03 -0.05 0.00 0.00 0.00 0.00 43.02 40.17 3kv8 s PHE 36 CO 0.32 -1.50 0.97 -2.30 -0.00 0.00 0.00 175.22 172.71 3kv8 n PRO 37 N -2.88 0.91 -2.29 0.24 -0.02 -1.26 -4.85 135.00 124.85 3kv8 n PRO 37 Ca 0.09 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3kv8 n PRO 37 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3kv8 n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kv8 n GLU 38 N -0.99 3.14 -4.26 -0.52 -0.58 -1.26 -4.50 120.64 111.67 3kv8 n GLU 38 Ca 0.14 -3.13 -0.19 0.00 -0.42 0.00 0.00 57.16 53.55 3kv8 n GLU 38 Cb 0.47 -3.31 -0.11 0.00 -0.57 0.00 0.00 31.44 27.92 3kv8 n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kv8 s VAL 39 N 3.11 1.47 -0.02 2.62 -7.23 -1.26 -4.33 120.40 114.77 3kv8 s VAL 39 Ca 0.49 -1.73 -0.32 0.00 -1.81 0.00 0.00 61.98 58.60 3kv8 s VAL 39 Cb 0.07 -1.59 -0.11 0.00 0.56 0.00 0.00 36.38 35.32 3kv8 s VAL 39 CO 0.00 -0.35 1.90 0.33 -0.31 0.00 0.00 175.10 176.67 3kv8 n PHE 40 N 0.56 2.42 -2.33 2.82 -0.00 0.31 -1.86 117.46 119.37 3kv8 n PHE 40 Ca -0.16 -0.15 -0.39 0.00 -0.00 0.00 0.00 57.45 56.76 3kv8 n PHE 40 Cb 0.57 -2.72 -0.03 0.00 -0.00 0.00 0.00 39.48 37.30 3kv8 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kv8 s ALA 41 N 4.01 3.23 0.23 3.13 0.00 -1.13 -4.74 121.76 126.49 3kv8 s ALA 41 Ca 0.90 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 53.76 3kv8 s ALA 41 Cb -0.58 -3.37 0.35 0.00 0.00 0.00 0.00 23.12 19.52 3kv8 s ALA 41 CO 0.47 -0.44 1.80 1.15 0.00 0.00 0.00 175.76 178.74 3kv8 h THR 42 N 2.53 0.90 -0.61 0.00 2.02 -1.94 -0.25 112.91 115.56 3kv8 h THR 42 Ca -0.48 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 66.52 3kv8 h THR 42 Cb 1.23 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3kv8 h THR 42 CO 0.64 0.13 0.41 1.23 0.37 0.00 0.00 175.52 178.29 3kv8 h GLY 43 N 0.72 0.71 1.22 2.16 0.00 -1.99 0.56 103.07 106.44 3kv8 h GLY 43 Ca 0.37 -0.22 -0.22 0.00 0.00 0.00 0.00 47.33 47.26 3kv8 h GLY 43 CO -0.24 0.15 -0.75 0.74 0.00 0.00 0.00 176.54 176.44 3kv8 h PHE 44 N 0.54 1.03 -0.73 5.60 0.04 -1.57 -1.92 116.94 119.92 3kv8 h PHE 44 Ca 0.27 -0.45 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 3kv8 h PHE 44 Cb 0.36 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3kv8 h PHE 44 CO -0.00 1.27 0.42 1.98 -0.60 0.00 0.00 178.31 181.39 3kv8 h MET 45 N 0.53 1.01 -0.15 1.51 4.05 -0.22 -0.98 114.93 120.69 3kv8 h MET 45 Ca -0.04 -0.10 0.04 0.00 -0.28 0.00 0.00 59.70 59.31 3kv8 h MET 45 Cb 1.38 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.93 3kv8 h MET 45 CO 0.15 0.73 -0.10 0.28 0.23 0.00 0.00 176.91 178.21 3kv8 h VAL 46 N 1.00 0.71 -0.64 -5.77 2.07 -0.90 0.46 116.25 113.18 3kv8 h VAL 46 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 3kv8 h VAL 46 Cb -0.00 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3kv8 h VAL 46 CO -0.05 0.00 0.40 1.23 0.02 0.00 0.00 177.57 179.17 3kv8 h GLY 47 N -0.10 0.92 1.03 2.17 0.00 -0.88 0.10 103.07 106.31 3kv8 h GLY 47 Ca 0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3kv8 h GLY 47 CO -0.21 0.36 0.02 -2.00 0.00 0.00 0.00 176.54 174.71 3kv8 h LEU 48 N 0.88 0.91 -0.64 3.11 5.85 -0.73 0.29 115.31 124.98 3kv8 h LEU 48 Ca 0.23 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kv8 h LEU 48 Cb -0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3kv8 h LEU 48 CO -0.05 0.98 0.38 0.24 -0.34 0.00 0.00 178.44 179.65 3kv8 h MET 49 N 0.80 0.88 -0.11 1.25 2.86 -0.12 -1.16 114.93 119.34 3kv8 h MET 49 Ca 0.15 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3kv8 h MET 49 Cb 0.51 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3kv8 h MET 49 CO 0.02 0.64 0.06 0.93 1.06 0.00 0.00 176.91 179.63 3kv8 h GLU 50 N 0.88 0.15 -0.44 1.72 5.08 -0.88 -2.52 114.58 118.57 3kv8 h GLU 50 Ca 0.23 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3kv8 h GLU 50 Cb -0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 3kv8 h GLU 50 CO -0.04 0.18 0.01 2.35 -1.00 0.00 0.00 179.01 180.52 3kv8 h TRP 51 N 0.08 -0.00 -0.74 4.33 7.01 -0.71 1.00 115.95 126.92 3kv8 h TRP 51 Ca 0.04 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.22 3kv8 h TRP 51 Cb 0.07 0.07 -0.10 0.00 -2.10 0.00 0.00 29.16 27.10 3kv8 h TRP 51 CO -0.04 -0.08 0.27 0.00 -2.79 0.00 0.00 178.44 175.80 3kv8 h ALA 52 N 1.38 1.03 -0.14 2.65 0.00 -1.01 -1.28 119.26 121.88 3kv8 h ALA 52 Ca 0.22 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 3kv8 h ALA 52 Cb 0.31 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kv8 h ALA 52 CO -0.35 -0.24 -0.66 0.00 0.00 0.00 0.00 179.25 178.00 3kv8 h VAL 54 N 0.40 0.93 -0.19 0.00 2.07 -0.46 -0.61 116.25 118.39 3kv8 h VAL 54 Ca -0.02 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3kv8 h VAL 54 Cb 1.23 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3kv8 h VAL 54 CO 0.12 0.08 0.07 0.03 0.02 0.00 0.00 177.57 177.89 3kv8 h ARG 55 N 0.41 0.16 -0.57 1.57 3.08 -1.03 -1.85 114.38 116.15 3kv8 h ARG 55 Ca 0.20 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.33 3kv8 h ARG 55 Cb 0.15 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 3kv8 h ARG 55 CO -0.17 0.11 0.20 0.00 -1.07 0.00 0.00 179.97 179.04 3kv8 h ALA 56 N 1.11 0.72 0.00 0.04 0.00 -0.91 -3.01 119.26 117.21 3kv8 h ALA 56 Ca 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kv8 h ALA 56 Cb 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kv8 h ALA 56 CO -0.08 -0.21 -0.13 0.52 0.00 0.00 0.00 179.25 179.36 3kv8 h MET 57 N 0.38 0.00 -0.77 0.00 2.86 -0.94 -3.40 114.93 113.06 3kv8 h MET 57 Ca 0.28 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.03 3kv8 h MET 57 Cb 0.34 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 3kv8 h MET 57 CO -0.29 0.13 0.39 0.00 1.06 0.00 0.00 176.91 178.20 3kv8 h ALA 58 N 1.87 1.10 0.00 6.32 0.00 -1.20 -1.10 119.26 126.25 3kv8 h ALA 58 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kv8 h ALA 58 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kv8 h ALA 58 CO 0.02 -0.03 0.00 -2.30 0.00 0.00 0.00 179.25 176.93 3kv8 n PRO 59 N -4.85 0.18 0.00 0.00 -0.02 -1.26 -2.92 135.00 126.13 3kv8 n PRO 59 Ca 0.13 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3kv8 n PRO 59 Cb 0.32 -1.86 0.17 0.00 -0.02 0.00 0.00 33.50 32.12 3kv8 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kv8 n TYR 60 N -2.21 0.00 -3.44 6.00 4.01 -0.42 -4.96 117.16 116.15 3kv8 n TYR 60 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 3kv8 n TYR 60 Cb 0.22 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 3kv8 n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kv8 s LEU 61 N -2.27 4.13 0.50 7.72 1.43 -1.15 -5.03 118.68 124.01 3kv8 s LEU 61 Ca 0.25 0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 54.02 3kv8 s LEU 61 Cb 0.19 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 3kv8 s LEU 61 CO 0.45 -0.11 0.81 -1.61 0.23 0.00 0.00 176.35 176.12 3kv8 s GLU 62 N -3.18 3.55 0.37 1.70 0.41 -1.26 -4.96 118.70 115.32 3kv8 s GLU 62 Ca 0.44 0.27 -0.28 0.00 -0.41 0.00 0.00 54.97 54.99 3kv8 s GLU 62 Cb -0.11 -2.34 -0.11 0.00 -1.78 0.00 0.00 34.13 29.78 3kv8 s GLU 62 CO 0.27 -0.24 1.34 -2.30 -0.49 0.00 0.00 175.26 173.83 3kv8 n PRO 63 N -2.30 2.24 -0.75 0.39 -0.02 -1.26 -2.00 135.00 131.30 3kv8 n PRO 63 Ca 0.01 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3kv8 n PRO 63 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3kv8 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kv8 n GLY 64 N 0.69 0.76 3.93 -1.23 0.00 -1.26 -5.05 105.19 103.03 3kv8 n GLY 64 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3kv8 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kv8 s GLU 65 N -0.25 3.46 0.00 1.61 2.02 -0.85 -1.07 118.70 123.63 3kv8 s GLU 65 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.49 3kv8 s GLU 65 Cb 0.00 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3kv8 s GLU 65 CO 0.00 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.22 3kv8 n GLY 66 N -0.27 4.65 3.42 -1.39 0.00 -0.14 -4.84 105.19 106.62 3kv8 n GLY 66 Ca -0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3kv8 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kv8 s SER 67 N 1.32 -0.20 0.05 1.61 1.04 -1.26 -0.77 113.70 115.48 3kv8 s SER 67 Ca 0.00 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.02 3kv8 s SER 67 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 3kv8 s SER 67 CO 0.00 -0.96 -0.19 -0.76 0.98 0.00 0.00 173.24 172.31 3kv8 s LEU 68 N -2.86 2.59 0.02 2.42 1.43 -0.01 -4.91 118.68 117.35 3kv8 s LEU 68 Ca 0.08 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3kv8 s LEU 68 Cb 0.01 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3kv8 s LEU 68 CO -0.06 0.25 1.02 -0.83 0.23 0.00 0.00 176.35 176.97 3kv8 s GLY 69 N -1.49 2.82 -0.00 -3.19 0.00 -1.26 -1.00 107.32 103.19 3kv8 s GLY 69 Ca 0.15 0.61 0.08 0.00 0.00 0.00 0.00 44.72 45.56 3kv8 s GLY 69 CO 0.05 1.74 0.35 -1.30 0.00 0.00 0.00 173.10 173.94 3kv8 n THR 70 N 3.80 0.00 -3.60 0.90 -2.24 0.17 -4.93 114.28 108.37 3kv8 n THR 70 Ca 0.06 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 3kv8 n THR 70 Cb 0.50 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.63 3kv8 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kv8 s ALA 71 N -1.84 -1.95 -0.01 6.98 0.00 -1.19 -4.94 121.76 118.80 3kv8 s ALA 71 Ca 0.03 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3kv8 s ALA 71 Cb 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.24 3kv8 s ALA 71 CO 0.35 -0.28 0.00 -1.50 0.00 0.00 0.00 175.76 174.33 3kv8 s ILE 72 N -0.66 0.04 -0.31 0.00 1.10 -1.26 -1.51 121.20 118.60 3kv8 s ILE 72 Ca -0.00 0.06 -0.01 0.00 -0.51 0.00 0.00 60.65 60.19 3kv8 s ILE 72 Cb -0.02 -0.10 0.13 0.00 0.15 0.00 0.00 42.46 42.62 3kv8 s ILE 72 CO -0.01 0.06 0.26 0.00 -2.11 0.00 0.00 174.94 173.14 3kv8 s VAL 74 N 2.00 0.15 0.66 0.00 -7.23 -1.26 -0.97 120.40 113.75 3kv8 s VAL 74 Ca 0.11 -0.92 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 3kv8 s VAL 74 Cb -0.16 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.51 3kv8 s VAL 74 CO -0.25 -0.49 1.01 0.42 -0.31 0.00 0.00 175.10 175.48 3kv8 s THR 75 N -1.44 3.42 -0.31 5.32 -4.23 -0.58 -4.92 115.64 112.89 3kv8 s THR 75 Ca -0.15 0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3kv8 s THR 75 Cb -0.10 -3.42 0.13 0.00 1.34 0.00 0.00 72.50 70.45 3kv8 s THR 75 CO -0.01 -0.50 0.27 -2.28 -0.54 0.00 0.00 174.62 171.57 3kv8 s HIS 76 N -3.20 -0.16 -0.20 3.99 2.46 -1.26 -3.38 115.29 113.54 3kv8 s HIS 76 Ca 0.57 -0.59 0.03 0.00 0.47 0.00 0.00 55.06 55.54 3kv8 s HIS 76 Cb -0.11 -0.58 -0.03 0.00 -0.13 0.00 0.00 32.58 31.73 3kv8 s HIS 76 CO 0.48 -0.90 0.20 0.25 -2.47 0.00 0.00 174.74 172.30 3kv8 n THR 77 N 4.96 0.00 -3.85 0.89 -2.24 0.40 -4.97 114.28 109.48 3kv8 n THR 77 Ca 0.01 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 3kv8 n THR 77 Cb 0.44 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 3kv8 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kv8 s ALA 78 N -1.20 -0.39 0.17 6.98 0.00 -1.24 -5.03 121.76 121.06 3kv8 s ALA 78 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 3kv8 s ALA 78 Cb 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 3kv8 s ALA 78 CO 0.13 -0.18 0.38 0.00 0.00 0.00 0.00 175.76 176.09 3kv8 s ALA 79 N -1.01 3.81 -0.13 0.00 0.00 -1.26 -4.77 121.76 118.40 3kv8 s ALA 79 Ca -0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3kv8 s ALA 79 Cb -0.06 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 21.03 3kv8 s ALA 79 CO 0.01 0.55 -0.05 0.99 0.00 0.00 0.00 175.76 177.27 3kv8 s THR 80 N -1.77 0.93 0.61 0.00 2.01 -1.26 -5.00 115.64 111.15 3kv8 s THR 80 Ca 0.40 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 3kv8 s THR 80 Cb -0.12 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3kv8 s THR 80 CO 0.27 0.21 0.99 -2.16 -0.69 0.00 0.00 174.62 173.24 3kv8 s PRO 81 N 1.73 3.43 0.47 4.92 0.04 -1.26 -0.53 135.00 143.80 3kv8 s PRO 81 Ca 0.03 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.40 3kv8 s PRO 81 Cb -0.14 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3kv8 s PRO 81 CO -0.08 -0.58 1.05 -2.30 0.04 0.00 0.00 177.00 175.13 3kv8 n PRO 82 N -2.69 1.34 0.00 0.56 -0.02 -1.26 -3.20 135.00 129.73 3kv8 n PRO 82 Ca 0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3kv8 n PRO 82 Cb 0.55 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3kv8 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kv8 n GLY 83 N 1.14 2.55 3.78 -1.23 0.00 0.75 -4.99 105.19 107.19 3kv8 n GLY 83 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3kv8 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kv8 s LEU 84 N 0.00 3.69 -0.29 0.99 1.43 -1.19 -4.73 118.68 118.58 3kv8 s LEU 84 Ca 0.00 2.11 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 3kv8 s LEU 84 Cb 0.00 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 3kv8 s LEU 84 CO 0.00 -1.24 0.64 -0.89 0.23 0.00 0.00 176.35 175.09 3kv8 s THR 85 N -1.91 4.94 -0.25 5.49 2.01 -1.26 -1.13 115.64 123.53 3kv8 s THR 85 Ca 0.71 0.96 -0.22 0.00 0.31 0.00 0.00 61.69 63.46 3kv8 s THR 85 Cb -0.22 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 3kv8 s THR 85 CO 0.29 -0.10 0.69 -0.69 -0.69 0.00 0.00 174.62 174.12 3kv8 s VAL 86 N 2.61 4.94 -0.24 3.82 1.01 0.58 -3.60 120.40 129.51 3kv8 s VAL 86 Ca 0.26 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.43 3kv8 s VAL 86 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3kv8 s VAL 86 CO 0.11 -0.01 0.10 -0.89 0.00 0.00 0.00 175.10 174.42 3kv8 s THR 87 N 2.61 4.75 -0.18 3.92 2.01 0.02 -1.13 115.64 127.65 3kv8 s THR 87 Ca 0.29 -0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 3kv8 s THR 87 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3kv8 s THR 87 CO 0.08 0.35 0.25 -0.69 -0.69 0.00 0.00 174.62 173.92 3kv8 s VAL 88 N 1.27 5.33 -0.22 3.82 1.01 0.25 -1.63 120.40 130.23 3kv8 s VAL 88 Ca 0.06 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 3kv8 s VAL 88 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3kv8 s VAL 88 CO 0.05 0.39 0.08 -0.89 0.00 0.00 0.00 175.10 174.73 3kv8 s THR 89 N 0.52 4.68 -0.06 3.92 2.01 -0.18 -0.88 115.64 125.66 3kv8 s THR 89 Ca 0.14 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.14 3kv8 s THR 89 Cb -0.13 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3kv8 s THR 89 CO 0.03 0.38 -0.23 0.00 -0.69 0.00 0.00 174.62 174.11 3kv8 s ALA 90 N 1.05 2.26 -0.09 7.40 0.00 0.16 -1.27 121.76 131.27 3kv8 s ALA 90 Ca 0.05 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3kv8 s ALA 90 Cb -0.14 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.26 3kv8 s ALA 90 CO 0.03 0.43 -0.11 -2.00 0.00 0.00 0.00 175.76 174.11 3kv8 s GLU 91 N -0.24 1.76 0.04 0.00 2.12 -0.20 -0.39 118.70 121.78 3kv8 s GLU 91 Ca -0.01 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 3kv8 s GLU 91 Cb -0.13 -1.56 -0.06 0.00 0.26 0.00 0.00 34.13 32.64 3kv8 s GLU 91 CO 0.03 -0.08 1.28 -1.17 -0.54 0.00 0.00 175.26 174.78 3kv8 s LEU 92 N 1.05 4.34 -0.19 2.70 2.96 -1.03 -0.99 118.68 127.52 3kv8 s LEU 92 Ca -0.07 2.06 -0.08 0.00 -0.22 0.00 0.00 54.13 55.82 3kv8 s LEU 92 Cb -0.15 -3.57 -0.21 0.00 0.50 0.00 0.00 46.19 42.76 3kv8 s LEU 92 CO -0.01 -0.58 0.12 0.54 -1.32 0.00 0.00 176.35 175.09 3kv8 n ARG 93 N 4.49 0.68 -3.47 1.98 1.74 0.97 -0.07 116.66 122.98 3kv8 n ARG 93 Ca 0.11 0.29 -0.10 0.00 -0.77 0.00 0.00 57.85 57.38 3kv8 n ARG 93 Cb 0.45 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 3kv8 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kv8 s SER 94 N -6.93 -0.45 -0.10 0.55 1.04 -1.08 -4.82 113.70 101.91 3kv8 s SER 94 Ca -0.28 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3kv8 s SER 94 Cb 0.08 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.69 3kv8 s SER 94 CO 0.67 -0.75 -0.08 -0.69 0.98 0.00 0.00 173.24 173.36 3kv8 s VAL 95 N -3.28 1.01 -0.31 5.02 1.01 -1.26 -0.88 120.40 121.70 3kv8 s VAL 95 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3kv8 s VAL 95 Cb -0.01 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.47 3kv8 s VAL 95 CO -0.10 0.35 0.11 -1.61 0.00 0.00 0.00 175.10 173.86 3kv8 s GLU 96 N 1.38 0.62 7.77 2.72 2.02 0.73 -5.00 118.70 128.95 3kv8 s GLU 96 Ca -0.01 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.97 3kv8 s GLU 96 Cb -0.14 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.28 3kv8 s GLU 96 CO -0.04 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.64 3kv8 n GLY 97 N 4.85 3.38 0.23 -1.39 0.00 -1.26 -1.45 105.19 109.56 3kv8 n GLY 97 Ca -0.02 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.04 3kv8 n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kv8 n ARG 98 N 13.52 1.24 -3.72 1.61 1.85 -1.26 -4.84 116.66 125.06 3kv8 n ARG 98 Ca 0.00 -0.46 -0.36 0.00 -1.00 0.00 0.00 57.85 56.03 3kv8 n ARG 98 Cb 0.00 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 29.82 3kv8 n ARG 98 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kv8 s ARG 99 N -2.08 4.00 -0.08 2.89 3.52 -0.53 -0.56 118.95 126.12 3kv8 s ARG 99 Ca 0.40 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.74 3kv8 s ARG 99 Cb 0.21 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 3kv8 s ARG 99 CO 0.37 0.05 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.20 3kv8 s LEU 100 N 1.06 2.32 -0.07 -0.88 1.02 -0.47 -0.19 118.68 121.47 3kv8 s LEU 100 Ca 0.07 -0.43 0.05 0.00 0.02 0.00 0.00 54.13 53.84 3kv8 s LEU 100 Cb -0.14 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.61 3kv8 s LEU 100 CO 0.04 0.23 -0.23 -0.44 0.02 0.00 0.00 176.35 175.98 3kv8 s SER 101 N -0.08 2.88 0.13 2.29 0.01 -0.06 -0.43 113.70 118.44 3kv8 s SER 101 Ca -0.05 -0.49 0.08 0.00 1.31 0.00 0.00 55.95 56.80 3kv8 s SER 101 Cb -0.14 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 3kv8 s SER 101 CO 0.04 0.20 -0.20 0.26 0.41 0.00 0.00 173.24 173.95 3kv8 s TRP 102 N 0.06 1.79 -0.18 2.43 0.52 0.91 -0.02 118.94 124.45 3kv8 s TRP 102 Ca -0.09 -0.44 -0.07 0.00 0.02 0.00 0.00 56.10 55.52 3kv8 s TRP 102 Cb -0.15 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 3kv8 s TRP 102 CO 0.05 0.25 0.05 0.50 0.02 0.00 0.00 176.95 177.83 3kv8 s ARG 103 N -2.25 3.94 0.11 4.98 3.00 -0.17 -1.59 118.95 126.98 3kv8 s ARG 103 Ca 0.10 -0.35 0.07 0.00 -1.00 0.00 0.00 55.73 54.55 3kv8 s ARG 103 Cb -0.08 -3.19 -0.04 0.00 0.00 0.00 0.00 34.95 31.64 3kv8 s ARG 103 CO 0.05 0.28 -0.19 0.14 0.00 0.00 0.00 175.30 175.59 3kv8 s VAL 104 N 0.33 1.58 0.12 7.11 -7.23 0.68 -1.03 120.40 121.95 3kv8 s VAL 104 Ca 0.03 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 3kv8 s VAL 104 Cb -0.12 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.32 3kv8 s VAL 104 CO 0.00 -0.17 0.31 -0.94 -0.31 0.00 0.00 175.10 173.99 3kv8 s SER 105 N -2.04 -0.05 0.02 4.85 1.04 -0.40 -0.62 113.70 116.49 3kv8 s SER 105 Ca 0.06 -0.54 -0.05 0.00 0.48 0.00 0.00 55.95 55.90 3kv8 s SER 105 Cb -0.09 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 3kv8 s SER 105 CO 0.04 -0.82 0.09 0.00 0.98 0.00 0.00 173.24 173.53 3kv8 s ALA 106 N -3.85 -0.14 -0.07 5.32 0.00 -0.20 -1.01 121.76 121.80 3kv8 s ALA 106 Ca 0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 3kv8 s ALA 106 Cb 0.03 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3kv8 s ALA 106 CO -0.09 -0.25 0.22 -1.58 0.00 0.00 0.00 175.76 174.06 3kv8 s HIS 107 N -1.93 -0.21 -0.26 0.00 2.46 -0.64 -0.44 115.29 114.27 3kv8 s HIS 107 Ca -0.11 0.50 0.13 0.00 0.47 0.00 0.00 55.06 56.05 3kv8 s HIS 107 Cb -0.05 0.07 0.71 0.00 -0.13 0.00 0.00 32.58 33.17 3kv8 s HIS 107 CO -0.01 -0.15 1.67 -0.40 -2.47 0.00 0.00 174.74 173.38 3kv8 n ASP 108 N 2.69 4.77 0.00 9.88 5.68 0.02 -0.80 116.55 138.79 3kv8 n ASP 108 Ca -0.14 -3.11 0.00 0.00 -0.50 0.00 0.00 54.79 51.03 3kv8 n ASP 108 Cb 0.58 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 3kv8 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kv8 n GLY 109 N -0.05 3.16 1.03 6.12 0.00 -1.24 -4.09 105.19 110.13 3kv8 n GLY 109 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3kv8 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kv8 n VAL 110 N -1.33 0.50 -4.27 1.61 0.31 -1.26 -5.07 118.33 108.82 3kv8 n VAL 110 Ca 0.00 0.17 -0.19 0.00 -0.01 0.00 0.00 64.34 64.30 3kv8 n VAL 110 Cb 0.00 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 3kv8 n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kv8 s ASP 111 N -5.40 2.23 0.13 4.52 1.01 -1.26 -5.11 116.67 112.78 3kv8 s ASP 111 Ca 0.00 -0.84 -0.31 0.00 0.71 0.00 0.00 52.55 52.11 3kv8 s ASP 111 Cb 0.00 -0.10 -0.09 0.00 1.01 0.00 0.00 42.92 43.74 3kv8 s ASP 111 CO 0.00 -0.11 1.59 -0.70 0.21 0.00 0.00 175.17 176.16 3kv8 s GLU 112 N -2.75 4.21 -0.01 8.23 2.12 -1.26 -0.80 118.70 128.43 3kv8 s GLU 112 Ca 0.12 2.35 0.13 0.00 0.36 0.00 0.00 54.97 57.93 3kv8 s GLU 112 Cb -0.05 -3.29 -0.19 0.00 0.26 0.00 0.00 34.13 30.86 3kv8 s GLU 112 CO 0.04 -0.64 0.38 0.44 -0.54 0.00 0.00 175.26 174.94 3kv8 n ILE 113 N 4.20 0.00 0.00 -3.70 -5.35 0.42 -4.33 119.36 110.59 3kv8 n ILE 113 Ca 0.14 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3kv8 n ILE 113 Cb 0.39 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 3kv8 n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kv8 n GLY 114 N 1.60 1.19 3.47 3.28 0.00 -1.18 -0.45 105.19 113.09 3kv8 n GLY 114 Ca -0.01 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 3kv8 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kv8 s SER 115 N 0.00 -0.54 0.00 1.61 1.04 -1.22 -1.03 113.70 113.56 3kv8 s SER 115 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3kv8 s SER 115 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3kv8 s SER 115 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3kv8 n GLY 116 N -0.39 -0.53 3.29 7.32 0.00 0.21 -1.53 105.19 113.55 3kv8 n GLY 116 Ca -0.16 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 3kv8 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kv8 s THR 117 N -1.94 1.47 -0.10 2.61 -4.23 -0.14 -0.23 115.64 113.07 3kv8 s THR 117 Ca 0.00 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 3kv8 s THR 117 Cb 0.00 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.07 3kv8 s THR 117 CO 0.00 -0.54 0.27 -2.28 -0.54 0.00 0.00 174.62 171.53 3kv8 s HIS 118 N -2.68 -0.31 0.14 3.99 5.04 -0.62 -0.73 115.29 120.11 3kv8 s HIS 118 Ca 0.16 0.75 0.11 0.00 -1.54 0.00 0.00 55.06 54.54 3kv8 s HIS 118 Cb -0.02 0.10 -0.04 0.00 0.04 0.00 0.00 32.58 32.66 3kv8 s HIS 118 CO 0.04 -0.16 -0.26 -1.21 -2.34 0.00 0.00 174.74 170.80 3kv8 s GLU 119 N 0.38 1.41 0.10 2.88 8.01 -0.57 -0.06 118.70 130.84 3kv8 s GLU 119 Ca -0.02 -1.37 0.03 0.00 0.01 0.00 0.00 54.97 53.63 3kv8 s GLU 119 Cb -0.04 -1.88 -0.04 0.00 -4.31 0.00 0.00 34.13 27.87 3kv8 s GLU 119 CO -0.02 0.44 -0.09 1.03 0.01 0.00 0.00 175.26 176.63 3kv8 s ARG 120 N -2.14 0.84 -0.05 1.61 0.52 0.42 -0.66 118.95 119.50 3kv8 s ARG 120 Ca 0.15 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 3kv8 s ARG 120 Cb -0.10 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.92 3kv8 s ARG 120 CO 0.06 0.06 -0.16 0.00 0.02 0.00 0.00 175.30 175.28 3kv8 s ALA 121 N -2.74 1.49 0.17 2.13 0.00 -0.17 -1.37 121.76 121.27 3kv8 s ALA 121 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3kv8 s ALA 121 Cb -0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.50 3kv8 s ALA 121 CO -0.01 0.24 1.30 0.08 0.00 0.00 0.00 175.76 177.37 3kv8 s VAL 122 N 0.18 3.36 0.18 0.00 1.01 0.28 -0.83 120.40 124.58 3kv8 s VAL 122 Ca -0.07 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.06 3kv8 s VAL 122 Cb -0.13 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3kv8 s VAL 122 CO 0.03 0.14 -0.15 0.27 0.00 0.00 0.00 175.10 175.39 3kv8 s ILE 123 N 0.39 1.63 -0.35 2.22 -4.36 0.05 -4.93 121.20 115.84 3kv8 s ILE 123 Ca 0.58 -2.08 -0.21 0.00 -0.26 0.00 0.00 60.65 58.68 3kv8 s ILE 123 Cb -0.35 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3kv8 s ILE 123 CO 0.35 -0.54 0.66 -2.28 0.24 0.00 0.00 174.94 173.37 3kv8 s HIS 124 N -2.74 3.15 0.12 1.37 5.65 -1.26 -0.96 115.29 120.61 3kv8 s HIS 124 Ca 0.19 0.39 -0.21 0.00 0.25 0.00 0.00 55.06 55.68 3kv8 s HIS 124 Cb -0.02 -3.17 -0.07 0.00 -1.18 0.00 0.00 32.58 28.14 3kv8 s HIS 124 CO 0.06 -0.64 1.73 -0.07 -0.65 0.00 0.00 174.74 175.17 3kv8 h LEU 125 N 9.43 -0.03 -0.79 8.88 3.38 -1.42 -1.03 115.31 133.74 3kv8 h LEU 125 Ca -0.26 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3kv8 h LEU 125 Cb 1.11 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3kv8 h LEU 125 CO 0.85 0.01 -0.13 -0.33 0.09 0.00 0.00 178.44 178.93 3kv8 h GLU 126 N 0.06 0.78 -0.13 1.13 5.08 -1.94 -0.32 114.58 119.25 3kv8 h GLU 126 Ca 0.06 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 3kv8 h GLU 126 Cb 0.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kv8 h GLU 126 CO -0.10 0.87 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.36 3kv8 h LYS 127 N 0.70 0.36 -0.61 2.33 3.64 -1.90 -1.60 116.57 119.50 3kv8 h LYS 127 Ca 0.11 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3kv8 h LYS 127 Cb 0.62 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3kv8 h LYS 127 CO 0.04 0.81 0.37 0.35 -2.27 0.00 0.00 179.45 178.75 3kv8 h PHE 128 N -0.05 0.70 -0.66 1.91 3.57 -1.00 -2.15 116.94 119.27 3kv8 h PHE 128 Ca 0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3kv8 h PHE 128 Cb 0.78 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3kv8 h PHE 128 CO 0.10 0.40 0.36 -0.91 -2.23 0.00 0.00 178.31 176.03 3kv8 h ASN 129 N 0.74 0.53 -0.63 0.41 2.35 -0.98 0.80 115.58 118.80 3kv8 h ASN 129 Ca 0.25 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.98 3kv8 h ASN 129 Cb 0.02 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3kv8 h ASN 129 CO -0.10 0.35 0.21 0.00 -1.65 0.00 0.00 177.43 176.23 3kv8 h ALA 130 N 1.34 1.13 -0.19 -0.83 0.00 -1.05 -0.16 119.26 119.51 3kv8 h ALA 130 Ca 0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kv8 h ALA 130 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kv8 h ALA 130 CO -0.18 0.60 -0.08 0.87 0.00 0.00 0.00 179.25 180.46 3kv8 h LYS 131 N 0.97 0.38 -0.46 0.00 1.57 -0.72 -2.74 116.57 115.58 3kv8 h LYS 131 Ca 0.22 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3kv8 h LYS 131 Cb 0.27 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3kv8 h LYS 131 CO -0.01 0.67 0.17 0.28 -0.57 0.00 0.00 179.45 179.99 3kv8 h VAL 132 N 0.07 0.87 -0.75 0.50 2.07 -0.69 -1.83 116.25 116.48 3kv8 h VAL 132 Ca 0.04 -0.12 0.20 0.00 0.82 0.00 0.00 66.70 67.64 3kv8 h VAL 132 Cb 0.55 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3kv8 h VAL 132 CO 0.02 0.06 0.53 0.03 0.02 0.00 0.00 177.57 178.24 3kv8 h ARG 133 N 0.35 0.11 0.00 1.57 3.08 -0.96 -1.34 114.38 117.20 3kv8 h ARG 133 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kv8 h ARG 133 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kv8 h ARG 133 CO -0.21 0.07 -0.16 1.96 -1.07 0.00 0.00 179.97 180.56 3kv8 h GLN 134 N 0.11 0.00 -0.13 0.04 4.20 -1.02 -2.55 115.11 115.76 3kv8 h GLN 134 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3kv8 h GLN 134 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3kv8 h GLN 134 CO -0.05 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 178.47 3kv8 n LYS 135 N -2.56 2.17 -2.18 1.46 2.85 -0.53 -4.94 118.16 114.43 3kv8 n LYS 135 Ca 0.04 -1.73 -0.42 0.00 -1.05 0.00 0.00 58.31 55.15 3kv8 n LYS 135 Cb 0.48 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 3kv8 n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kv8 s THR 136 N -1.85 3.60 -2.00 0.58 2.01 -0.96 -5.12 115.64 111.89 3kv8 s THR 136 Ca 0.33 1.00 0.20 0.00 0.31 0.00 0.00 61.69 63.54 3kv8 s THR 136 Cb 0.21 -3.64 0.58 0.00 0.01 0.00 0.00 72.50 69.65 3kv8 s THR 136 CO 0.31 0.00 1.61 -0.81 -0.69 0.00 0.00 174.62 175.03