#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb1 n VAL 5 N 0.00 0.04 -1.84 5.15 3.14 -1.26 -4.90 118.33 118.66 3kb1 n VAL 5 Ca 0.00 -0.01 -0.36 0.00 -2.96 0.00 0.00 64.34 61.01 3kb1 n VAL 5 Cb 0.00 -0.69 0.05 0.00 -1.06 0.00 0.00 33.84 32.15 3kb1 n VAL 5 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3kb1 s THR 6 N 0.38 2.48 -1.30 1.55 -4.23 -1.26 -4.88 115.64 108.37 3kb1 s THR 6 Ca 0.85 0.28 0.11 0.00 -1.18 0.00 0.00 61.69 61.76 3kb1 s THR 6 Cb -1.00 -3.04 0.17 0.00 1.34 0.00 0.00 72.50 69.97 3kb1 s THR 6 CO 0.49 -0.08 1.29 0.47 -0.54 0.00 0.00 174.62 176.25 3kb1 n ASP 7 N -1.91 0.00 -0.09 3.99 9.92 -1.26 -1.28 116.55 125.92 3kb1 n ASP 7 Ca 0.14 0.23 0.06 0.00 -0.53 0.00 0.00 54.79 54.69 3kb1 n ASP 7 Cb 0.50 -0.35 -0.04 0.00 -0.64 0.00 0.00 41.12 40.58 3kb1 n ASP 7 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3kb1 n GLU 8 N -1.35 2.79 0.11 -1.24 0.28 -1.26 -4.35 120.64 115.62 3kb1 n GLU 8 Ca 0.05 -0.23 -0.02 0.00 -0.16 0.00 0.00 57.16 56.80 3kb1 n GLU 8 Cb 0.10 -1.08 0.02 0.00 1.43 0.00 0.00 31.44 31.91 3kb1 n GLU 8 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 3kb1 h ASP 9 N 0.46 0.00 -0.35 -1.84 3.58 -1.54 -3.11 116.42 113.62 3kb1 h ASP 9 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3kb1 h ASP 9 Cb 0.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3kb1 h ASP 9 CO 0.00 0.73 -0.09 0.40 -2.88 0.00 0.00 179.24 177.40 3kb1 h ILE 10 N 0.00 1.28 -0.86 2.25 1.08 -1.74 -3.23 117.51 116.29 3kb1 h ILE 10 Ca -0.01 -1.15 0.11 0.00 -0.39 0.00 0.00 64.86 63.43 3kb1 h ILE 10 Cb 1.46 1.31 -0.13 0.00 -3.07 0.00 0.00 36.82 36.38 3kb1 h ILE 10 CO 0.09 0.38 -0.46 0.50 -0.69 0.00 0.00 178.15 177.97 3kb1 h LYS 11 N 0.46 -0.07 0.00 2.37 3.64 -1.76 0.62 116.57 121.83 3kb1 h LYS 11 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3kb1 h LYS 11 Cb 0.59 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3kb1 h LYS 11 CO 0.03 -0.05 -0.02 0.93 -2.27 0.00 0.00 179.45 178.08 3kb1 h GLU 12 N -0.08 0.00 0.00 1.90 5.08 -1.68 -1.06 114.58 118.74 3kb1 h GLU 12 Ca 0.24 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3kb1 h GLU 12 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3kb1 h GLU 12 CO -0.88 0.02 -0.31 -0.09 -1.00 0.00 0.00 179.01 176.75 3kb1 h ARG 13 N 0.00 0.00 0.00 2.33 9.65 0.05 -3.34 114.38 123.07 3kb1 h ARG 13 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kb1 h ARG 13 Cb 0.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 3kb1 h ARG 13 CO 0.00 0.86 0.00 1.28 2.80 0.00 0.00 179.97 184.91 3kb1 n LEU 14 N -4.59 0.00 0.00 3.80 4.77 0.78 -3.09 117.00 118.67 3kb1 n LEU 14 Ca -0.14 0.38 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 3kb1 n LEU 14 Cb 0.47 -0.38 0.24 0.00 -2.33 0.00 0.00 43.42 41.42 3kb1 n LEU 14 CO 0.26 -0.11 0.62 0.47 -1.33 0.00 0.00 177.39 177.31 3kb1 n ASP 15 N -1.38 0.00 -0.00 -1.43 9.92 -0.41 -1.04 116.55 122.21 3kb1 n ASP 15 Ca 0.08 0.26 0.08 0.00 -0.53 0.00 0.00 54.79 54.69 3kb1 n ASP 15 Cb 0.21 -0.36 -0.10 0.00 -0.64 0.00 0.00 41.12 40.22 3kb1 n ASP 15 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3kb1 n LYS 16 N -1.36 1.26 -3.13 -1.24 4.76 -1.18 -4.88 118.16 112.40 3kb1 n LYS 16 Ca 0.04 -0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3kb1 n LYS 16 Cb 0.09 -1.32 -0.07 0.00 -1.84 0.00 0.00 35.03 31.90 3kb1 n LYS 16 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kb1 s ILE 17 N -2.70 4.89 0.27 -0.18 1.09 -0.21 -2.65 121.20 121.71 3kb1 s ILE 17 Ca 0.04 0.42 -0.04 0.00 -1.10 0.00 0.00 60.65 59.98 3kb1 s ILE 17 Cb 0.12 -4.10 0.20 0.00 -1.06 0.00 0.00 42.46 37.63 3kb1 s ILE 17 CO 0.70 -0.38 1.88 1.23 -0.10 0.00 0.00 174.94 178.26 3kb1 h GLY 18 N 9.43 1.15 -5.44 6.18 0.00 -0.76 -3.45 103.07 110.18 3kb1 h GLY 18 Ca -0.26 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.42 3kb1 h GLY 18 CO 0.84 0.52 -0.24 -0.12 0.00 0.00 0.00 176.54 177.54 3kb1 s PHE 19 N -5.65 -0.58 -0.27 5.60 5.36 0.16 -4.27 117.98 118.33 3kb1 s PHE 19 Ca -0.11 1.30 -0.05 0.00 -0.96 0.00 0.00 56.93 57.10 3kb1 s PHE 19 Cb 0.17 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 43.10 3kb1 s PHE 19 CO 0.81 -0.31 0.02 1.03 -1.46 0.00 0.00 175.22 175.31 3kb1 s ARG 20 N 0.97 3.11 -0.08 10.12 0.52 -1.26 -1.70 118.95 130.63 3kb1 s ARG 20 Ca -0.06 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 3kb1 s ARG 20 Cb -0.06 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 3kb1 s ARG 20 CO -0.08 -0.37 -0.06 0.42 0.02 0.00 0.00 175.30 175.23 3kb1 s ILE 21 N 1.46 3.81 -0.07 1.52 1.01 -0.90 -0.77 121.20 127.26 3kb1 s ILE 21 Ca 0.03 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3kb1 s ILE 21 Cb -0.16 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3kb1 s ILE 21 CO -0.00 0.59 -0.16 0.00 0.00 0.00 0.00 174.94 175.37 3kb1 s ALA 22 N -0.72 2.54 0.02 9.38 0.00 -0.29 -0.18 121.76 132.51 3kb1 s ALA 22 Ca 0.11 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3kb1 s ALA 22 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 3kb1 s ALA 22 CO 0.02 0.44 -0.14 0.08 0.00 0.00 0.00 175.76 176.16 3kb1 s VAL 23 N -0.32 3.09 0.00 0.00 1.01 -0.29 0.32 120.40 124.21 3kb1 s VAL 23 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3kb1 s VAL 23 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3kb1 s VAL 23 CO 0.02 0.39 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 3kb1 n SER 25 N 1.67 0.00 0.10 3.32 3.41 -1.26 -2.95 113.62 117.91 3kb1 n SER 25 Ca -0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.55 3kb1 n SER 25 Cb 0.52 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.91 3kb1 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kb1 n GLY 26 N -0.08 -1.06 0.00 5.00 0.00 -1.26 -0.55 105.19 107.24 3kb1 n GLY 26 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kb1 n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kb1 n LYS 27 N -2.04 0.00 -2.60 1.61 2.85 -1.26 -4.15 118.16 112.58 3kb1 n LYS 27 Ca 0.01 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.05 3kb1 n LYS 27 Cb 0.15 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.61 3kb1 n LYS 27 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3kb1 s GLY 28 N -2.14 1.78 0.00 2.58 0.00 -1.26 -4.23 107.32 104.05 3kb1 s GLY 28 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 3kb1 s GLY 28 CO 0.00 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.60 3kb1 n GLY 29 N -2.67 2.37 0.34 0.20 0.00 -1.26 -4.76 105.19 99.41 3kb1 n GLY 29 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 3kb1 n GLY 29 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kb1 h VAL 30 N 0.00 0.31 -1.22 1.61 -1.51 -1.94 -3.46 116.25 110.05 3kb1 h VAL 30 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kb1 h VAL 30 Cb 0.00 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 3kb1 h VAL 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kb1 n GLY 31 N -1.33 0.62 0.12 5.19 0.00 -1.26 -4.45 105.19 104.07 3kb1 n GLY 31 Ca 0.01 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 3kb1 n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kb1 h LYS 32 N 0.00 0.29 -0.36 1.61 3.64 -1.90 -2.99 116.57 116.87 3kb1 h LYS 32 Ca 0.00 -0.40 -0.15 0.00 -1.27 0.00 0.00 60.65 58.83 3kb1 h LYS 32 Cb 0.52 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3kb1 h LYS 32 CO 0.00 1.14 -0.37 0.77 -2.27 0.00 0.00 179.45 178.71 3kb1 h SER 33 N -0.35 0.89 -0.39 4.20 0.02 -1.94 -0.26 113.55 115.72 3kb1 h SER 33 Ca -0.09 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 3kb1 h SER 33 Cb 1.40 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3kb1 h SER 33 CO 0.12 1.16 0.00 0.74 -1.14 0.00 0.00 176.83 177.71 3kb1 h THR 34 N 0.69 1.26 -0.18 -2.27 2.02 -1.95 -0.90 112.91 111.58 3kb1 h THR 34 Ca 0.06 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 3kb1 h THR 34 Cb 0.94 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3kb1 h THR 34 CO 0.09 0.33 0.09 0.58 0.37 0.00 0.00 175.52 176.99 3kb1 h VAL 35 N 0.50 1.11 -0.55 3.16 2.07 -1.45 -1.93 116.25 119.17 3kb1 h VAL 35 Ca 0.11 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.42 3kb1 h VAL 35 Cb 0.46 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 31.12 3kb1 h VAL 35 CO 0.02 0.11 -0.26 0.74 0.02 0.00 0.00 177.57 178.20 3kb1 h THR 36 N 0.18 0.27 -0.61 2.57 2.02 -0.78 -0.12 112.91 116.44 3kb1 h THR 36 Ca 0.06 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.36 3kb1 h THR 36 Cb 0.09 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 66.68 3kb1 h THR 36 CO -0.01 0.00 0.12 0.00 0.37 0.00 0.00 175.52 176.00 3kb1 h ALA 37 N 1.20 0.72 0.00 6.16 0.00 -0.67 -0.60 119.26 126.07 3kb1 h ALA 37 Ca 0.25 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3kb1 h ALA 37 Cb 0.51 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kb1 h ALA 37 CO -0.63 -0.32 -0.26 -0.07 0.00 0.00 0.00 179.25 177.98 3kb1 h LEU 38 N 0.24 0.00 0.00 0.00 4.07 -0.30 0.72 115.31 120.04 3kb1 h LEU 38 Ca 0.32 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.14 3kb1 h LEU 38 Cb 0.49 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 3kb1 h LEU 38 CO -0.42 0.26 -0.78 0.25 -1.08 0.00 0.00 178.44 176.67 3kb1 h LEU 39 N 0.00 0.00 0.06 1.67 5.85 -0.20 0.10 115.31 122.79 3kb1 h LEU 39 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.43 3kb1 h LEU 39 Cb 0.55 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.60 3kb1 h LEU 39 CO 0.03 0.61 -1.17 0.00 -0.34 0.00 0.00 178.44 177.57 3kb1 h ALA 40 N 1.39 0.06 -0.32 1.25 0.00 -0.39 -2.89 119.26 118.36 3kb1 h ALA 40 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 54.01 3kb1 h ALA 40 Cb 1.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3kb1 h ALA 40 CO 0.07 0.71 -0.25 0.28 0.00 0.00 0.00 179.25 180.07 3kb1 h VAL 41 N 0.30 1.27 0.10 0.00 2.07 -0.87 -1.10 116.25 118.02 3kb1 h VAL 41 Ca -0.16 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3kb1 h VAL 41 Cb 1.84 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3kb1 h VAL 41 CO 0.22 0.43 -0.08 -0.74 0.02 0.00 0.00 177.57 177.42 3kb1 h HIS 42 N 0.55 -0.21 0.00 1.57 6.17 -0.81 -1.54 115.15 120.88 3kb1 h HIS 42 Ca 0.08 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.05 3kb1 h HIS 42 Cb 0.72 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 3kb1 h HIS 42 CO 0.03 -0.13 -0.50 1.88 0.71 0.00 0.00 177.93 179.93 3kb1 h TYR 43 N -0.19 0.00 0.01 5.26 0.05 -1.42 -3.16 116.97 117.51 3kb1 h TYR 43 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kb1 h TYR 43 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3kb1 h TYR 43 CO -0.10 0.50 -0.00 0.00 -1.05 0.00 0.00 178.16 177.50 3kb1 h ALA 44 N 1.50 -0.01 0.00 3.88 0.00 -1.07 -1.77 119.26 121.79 3kb1 h ALA 44 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3kb1 h ALA 44 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kb1 h ALA 44 CO 0.06 -0.16 0.08 0.87 0.00 0.00 0.00 179.25 180.11 3kb1 h LYS 45 N -0.70 0.00 -0.23 0.00 1.57 -1.32 0.39 116.57 116.27 3kb1 h LYS 45 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kb1 h LYS 45 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3kb1 h LYS 45 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3kb1 n GLN 46 N -2.61 1.81 -0.03 3.15 6.02 -1.20 -4.90 117.38 119.62 3kb1 n GLN 46 Ca -0.02 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 3kb1 n GLN 46 Cb 0.13 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3kb1 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kb1 n GLY 47 N 1.14 0.91 3.79 1.08 0.00 0.14 -5.05 105.19 107.20 3kb1 n GLY 47 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3kb1 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb1 s LYS 48 N -0.69 3.48 -0.31 1.61 1.02 -0.67 -5.00 119.74 119.18 3kb1 s LYS 48 Ca 0.00 1.33 -0.20 0.00 0.02 0.00 0.00 55.97 57.12 3kb1 s LYS 48 Cb 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3kb1 s LYS 48 CO 0.00 -0.69 0.64 0.15 -0.92 0.00 0.00 175.35 174.52 3kb1 s LYS 49 N -3.64 3.86 0.11 1.68 1.02 -1.26 -4.15 119.74 117.37 3kb1 s LYS 49 Ca 0.66 0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.98 3kb1 s LYS 49 Cb -0.17 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 3kb1 s LYS 49 CO 0.29 -0.61 -0.04 0.08 -0.92 0.00 0.00 175.35 174.15 3kb1 s VAL 50 N 2.65 3.68 -0.01 3.17 1.01 -1.26 -1.44 120.40 128.20 3kb1 s VAL 50 Ca 0.25 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3kb1 s VAL 50 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3kb1 s VAL 50 CO 0.12 0.06 -0.03 -0.83 0.00 0.00 0.00 175.10 174.43 3kb1 s GLY 51 N -2.41 0.17 -0.07 4.51 0.00 0.86 -2.67 107.32 107.71 3kb1 s GLY 51 Ca 0.24 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 44.91 3kb1 s GLY 51 CO 0.16 -0.01 -0.20 -0.42 0.00 0.00 0.00 173.10 172.64 3kb1 s ILE 52 N 0.08 2.51 -0.63 0.90 1.01 0.89 0.72 121.20 126.68 3kb1 s ILE 52 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3kb1 s ILE 52 Cb -0.03 -1.97 0.16 0.00 0.01 0.00 0.00 42.46 40.63 3kb1 s ILE 52 CO -0.00 0.56 0.41 -0.22 0.00 0.00 0.00 174.94 175.69 3kb1 s LEU 53 N -0.16 4.79 -0.53 2.97 0.20 0.46 -4.32 118.68 122.09 3kb1 s LEU 53 Ca -0.02 -3.24 -0.27 0.00 0.69 0.00 0.00 54.13 51.29 3kb1 s LEU 53 Cb -0.14 -1.72 -0.09 0.00 -0.43 0.00 0.00 46.19 43.81 3kb1 s LEU 53 CO 0.04 -0.23 2.44 -0.67 -0.29 0.00 0.00 176.35 177.64 3kb1 n ASP 54 N 2.87 2.14 -1.65 3.68 2.03 -1.26 -2.94 116.55 121.42 3kb1 n ASP 54 Ca 0.11 -0.39 0.04 0.00 0.52 0.00 0.00 54.79 55.07 3kb1 n ASP 54 Cb 0.35 -1.51 0.34 0.00 -0.72 0.00 0.00 41.12 39.58 3kb1 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kb1 n ALA 55 N 15.08 3.85 -3.50 -1.67 0.00 -0.17 -4.45 120.51 129.65 3kb1 n ALA 55 Ca 0.40 -2.16 -0.42 0.00 0.00 0.00 0.00 53.44 51.26 3kb1 n ALA 55 Cb 0.48 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 3kb1 n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kb1 s ASP 56 N -1.19 6.32 0.19 0.00 3.68 -0.98 -3.00 116.67 121.70 3kb1 s ASP 56 Ca 0.52 -3.15 -0.07 0.00 2.13 0.00 0.00 52.55 51.97 3kb1 s ASP 56 Cb 0.41 -2.05 0.12 0.00 -1.45 0.00 0.00 42.92 39.94 3kb1 s ASP 56 CO 0.13 -0.38 1.63 -0.26 0.13 0.00 0.00 175.17 176.43 3kb1 h PHE 57 N 6.97 1.05 -0.00 -5.34 -1.00 -1.91 -2.79 116.94 113.92 3kb1 h PHE 57 Ca 0.10 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.71 3kb1 h PHE 57 Cb 0.93 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 40.18 3kb1 h PHE 57 CO 0.83 0.99 -0.32 -0.07 -1.61 0.00 0.00 178.31 178.13 3kb1 h LEU 58 N 0.84 -0.96 -6.27 1.54 3.38 -2.01 -3.38 115.31 108.45 3kb1 h LEU 58 Ca 0.13 0.13 -0.51 0.00 0.09 0.00 0.00 57.88 57.72 3kb1 h LEU 58 Cb 0.65 0.39 -0.35 0.00 0.09 0.00 0.00 40.66 41.44 3kb1 h LEU 58 CO 0.05 -0.38 -0.85 -0.83 0.09 0.00 0.00 178.44 176.51 3kb1 s GLY 59 N -2.52 0.67 -0.53 0.83 0.00 -1.23 -5.10 107.32 99.44 3kb1 s GLY 59 Ca -0.16 -1.88 -0.27 0.00 0.00 0.00 0.00 44.72 42.41 3kb1 s GLY 59 CO 0.65 2.37 1.71 2.56 0.00 0.00 0.00 173.10 180.40 3kb1 s PRO 60 N 0.59 3.00 0.00 2.90 0.04 -1.05 -4.81 135.00 135.67 3kb1 s PRO 60 Ca 0.27 0.77 0.09 0.00 0.04 0.00 0.00 61.00 62.17 3kb1 s PRO 60 Cb -0.06 -4.26 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 3kb1 s PRO 60 CO -0.11 -2.28 0.60 -1.13 0.04 0.00 0.00 177.00 174.12 3kb1 n SER 61 N 11.22 1.16 0.15 6.66 3.41 -1.26 -4.64 113.62 130.31 3kb1 n SER 61 Ca 0.19 -1.08 -0.14 0.00 -0.26 0.00 0.00 58.87 57.58 3kb1 n SER 61 Cb 0.50 0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 64.84 3kb1 n SER 61 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3kb1 h ILE 62 N 1.02 0.80 -0.56 -1.33 1.08 -1.90 -2.27 117.51 114.35 3kb1 h ILE 62 Ca 0.00 -0.32 0.10 0.00 -0.39 0.00 0.00 64.86 64.25 3kb1 h ILE 62 Cb 0.32 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 3kb1 h ILE 62 CO 0.00 0.07 0.38 1.55 -0.69 0.00 0.00 178.15 179.46 3kb1 h PRO 63 N -0.50 0.34 0.00 2.37 0.13 -1.91 -1.63 132.00 130.80 3kb1 h PRO 63 Ca -0.03 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 3kb1 h PRO 63 Cb 0.37 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 3kb1 h PRO 63 CO 0.06 0.22 -0.19 1.25 -0.23 0.00 0.00 178.00 179.10 3kb1 h HIS 64 N 0.35 0.00 0.00 1.56 -0.00 -1.78 0.24 115.15 115.51 3kb1 h HIS 64 Ca 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.53 3kb1 h HIS 64 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 3kb1 h HIS 64 CO -0.00 0.19 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.60 3kb1 h LEU 65 N 0.00 0.00 -3.29 0.26 3.38 -0.70 -3.24 115.31 111.72 3kb1 h LEU 65 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kb1 h LEU 65 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3kb1 h LEU 65 CO 0.03 0.46 0.00 0.49 0.09 0.00 0.00 178.44 179.50 3kb1 n PHE 66 N -3.43 1.01 -3.60 1.13 3.72 -1.19 -2.34 117.46 112.75 3kb1 n PHE 66 Ca 0.00 -1.01 -0.27 0.00 -0.05 0.00 0.00 57.45 56.13 3kb1 n PHE 66 Cb 0.60 -0.35 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 3kb1 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kb1 n GLY 67 N -0.62 -0.50 2.29 1.37 0.00 -1.08 -4.78 105.19 101.87 3kb1 n GLY 67 Ca 0.24 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 3kb1 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kb1 n LEU 68 N -4.37 7.40 0.00 0.99 4.32 0.83 -4.53 117.00 121.65 3kb1 n LEU 68 Ca -0.00 -4.12 0.06 0.00 -0.02 0.00 0.00 56.01 51.93 3kb1 n LEU 68 Cb 0.55 -0.93 0.27 0.00 -1.62 0.00 0.00 43.42 41.69 3kb1 n LEU 68 CO 0.64 1.37 0.68 1.21 -1.22 0.00 0.00 177.39 180.07 3kb1 n GLU 69 N -0.98 0.05 -0.82 3.23 4.07 -1.26 -3.22 120.64 121.72 3kb1 n GLU 69 Ca 0.62 0.26 -0.08 0.00 -0.06 0.00 0.00 57.16 57.90 3kb1 n GLU 69 Cb 0.93 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.70 3kb1 n GLU 69 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3kb1 n LYS 70 N -1.44 1.63 -1.52 5.31 2.85 -1.26 -4.91 118.16 118.81 3kb1 n LYS 70 Ca 0.04 -0.66 -0.52 0.00 -1.05 0.00 0.00 58.31 56.11 3kb1 n LYS 70 Cb 0.13 -1.67 -0.07 0.00 -0.65 0.00 0.00 35.03 32.77 3kb1 n LYS 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kb1 n GLY 71 N 2.19 0.64 3.15 2.58 0.00 -1.20 -4.87 105.19 107.68 3kb1 n GLY 71 Ca 0.28 0.94 0.05 0.00 0.00 0.00 0.00 46.02 47.28 3kb1 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kb1 s LYS 72 N 5.40 0.42 -0.20 1.61 2.20 -1.26 -4.88 119.74 123.03 3kb1 s LYS 72 Ca 1.06 0.65 -0.19 0.00 -0.36 0.00 0.00 55.97 57.14 3kb1 s LYS 72 Cb -0.92 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 35.72 3kb1 s LYS 72 CO 0.54 -0.54 0.53 0.08 -0.36 0.00 0.00 175.35 175.60 3kb1 s VAL 73 N 2.89 5.10 0.12 4.02 1.01 -1.26 -4.78 120.40 127.50 3kb1 s VAL 73 Ca 0.13 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.14 3kb1 s VAL 73 Cb -0.12 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3kb1 s VAL 73 CO -0.19 0.17 0.11 0.00 0.00 0.00 0.00 175.10 175.19 3kb1 s ALA 74 N 1.65 3.57 -0.09 5.51 0.00 -1.25 -4.95 121.76 126.20 3kb1 s ALA 74 Ca 0.25 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3kb1 s ALA 74 Cb -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3kb1 s ALA 74 CO 0.10 0.62 -0.22 0.54 0.00 0.00 0.00 175.76 176.79 3kb1 s VAL 75 N -1.58 1.92 0.11 0.00 0.11 -1.26 0.56 120.40 120.26 3kb1 s VAL 75 Ca 0.30 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 3kb1 s VAL 75 Cb -0.11 -1.67 -0.00 0.00 -1.53 0.00 0.00 36.38 33.07 3kb1 s VAL 75 CO 0.23 0.53 0.02 -1.54 -3.33 0.00 0.00 175.10 171.01 3kb1 n SER 76 N 3.51 1.54 -0.12 3.54 3.41 0.48 -4.95 113.62 121.03 3kb1 n SER 76 Ca -0.19 -1.53 -0.05 0.00 -0.26 0.00 0.00 58.87 56.84 3kb1 n SER 76 Cb 0.53 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.68 3kb1 n SER 76 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kb1 h ASP 77 N 0.36 -0.42 -0.35 4.04 3.32 -2.02 0.36 116.42 121.70 3kb1 h ASP 77 Ca -0.09 0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.19 3kb1 h ASP 77 Cb 0.30 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3kb1 h ASP 77 CO 0.14 -0.15 0.30 -0.33 -1.72 0.00 0.00 179.24 177.48 3kb1 h GLU 78 N -0.02 0.00 0.00 3.56 4.39 -1.96 -3.48 114.58 117.07 3kb1 h GLU 78 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3kb1 h GLU 78 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3kb1 h GLU 78 CO -0.44 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.82 3kb1 n GLY 79 N -1.53 0.26 3.61 -3.84 0.00 0.13 -4.33 105.19 99.49 3kb1 n GLY 79 Ca 0.06 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 3kb1 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kb1 s LEU 80 N 0.00 3.74 -0.11 0.99 1.02 -0.95 -0.39 118.68 122.98 3kb1 s LEU 80 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 54.13 54.71 3kb1 s LEU 80 Cb 0.00 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 3kb1 s LEU 80 CO 0.00 -1.20 1.46 -1.61 0.02 0.00 0.00 176.35 175.02 3kb1 s GLU 81 N 4.38 4.21 0.15 1.70 0.41 0.19 -1.62 118.70 128.11 3kb1 s GLU 81 Ca 0.53 1.93 -0.30 0.00 -0.41 0.00 0.00 54.97 56.72 3kb1 s GLU 81 Cb -0.12 -3.87 -0.07 0.00 -1.78 0.00 0.00 34.13 28.29 3kb1 s GLU 81 CO 0.27 -0.77 1.07 -1.25 -0.49 0.00 0.00 175.26 174.08 3kb1 s PRO 82 N 3.75 4.61 0.29 0.39 0.04 -1.26 -3.84 135.00 138.99 3kb1 s PRO 82 Ca 0.64 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 3kb1 s PRO 82 Cb -0.28 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 30.85 3kb1 s PRO 82 CO 0.22 0.09 1.34 0.14 0.04 0.00 0.00 177.00 178.83 3kb1 s VAL 83 N -0.07 2.77 -0.02 -0.36 -7.23 -1.15 -4.57 120.40 109.76 3kb1 s VAL 83 Ca 0.49 0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 61.33 3kb1 s VAL 83 Cb -0.28 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3kb1 s VAL 83 CO 0.33 0.15 0.22 -0.76 -0.31 0.00 0.00 175.10 174.73 3kb1 s LEU 84 N -1.23 4.37 0.30 1.32 1.43 -1.26 -1.00 118.68 122.61 3kb1 s LEU 84 Ca 0.52 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 3kb1 s LEU 84 Cb -0.40 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 3kb1 s LEU 84 CO 0.49 0.28 1.10 0.42 0.23 0.00 0.00 176.35 178.86 3kb1 s THR 85 N -1.27 3.50 0.06 5.49 -4.23 -0.81 -4.86 115.64 113.52 3kb1 s THR 85 Ca 0.26 1.45 -0.38 0.00 -1.18 0.00 0.00 61.69 61.84 3kb1 s THR 85 Cb -0.13 -3.90 -0.21 0.00 1.34 0.00 0.00 72.50 69.60 3kb1 s THR 85 CO 0.15 0.30 1.57 1.56 -0.54 0.00 0.00 174.62 177.66 3kb1 h GLN 86 N 3.60 -1.29 0.24 3.99 4.20 -1.93 0.63 115.11 124.56 3kb1 h GLN 86 Ca -0.47 0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 3kb1 h GLN 86 Cb 1.21 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 3kb1 h GLN 86 CO 0.66 -0.86 -0.22 -0.09 -0.67 0.00 0.00 178.83 177.65 3kb1 h ARG 87 N -1.33 -0.44 0.00 1.46 2.43 -1.96 -3.34 114.38 111.19 3kb1 h ARG 87 Ca -0.13 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3kb1 h ARG 87 Cb 1.03 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kb1 h ARG 87 CO 0.21 -0.30 -0.91 1.28 -1.51 0.00 0.00 179.97 178.74 3kb1 n LEU 88 N -3.68 0.68 -2.10 3.80 4.77 -1.26 -5.01 117.00 114.20 3kb1 n LEU 88 Ca -0.06 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 3kb1 n LEU 88 Cb 0.21 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3kb1 n LEU 88 CO 0.12 0.12 0.09 0.61 -1.33 0.00 0.00 177.39 177.01 3kb1 n GLY 89 N 1.44 0.14 3.74 -0.72 0.00 0.22 -4.98 105.19 105.03 3kb1 n GLY 89 Ca 0.03 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3kb1 n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kb1 s ILE 90 N -3.17 5.13 0.01 -0.61 1.01 -1.26 -4.68 121.20 117.64 3kb1 s ILE 90 Ca 0.15 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 3kb1 s ILE 90 Cb -0.07 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 3kb1 s ILE 90 CO 0.36 0.37 1.27 -0.54 0.00 0.00 0.00 174.94 176.40 3kb1 s LYS 91 N 0.29 4.36 0.39 2.79 1.02 -1.09 -1.93 119.74 125.56 3kb1 s LYS 91 Ca 0.26 1.81 0.02 0.00 0.02 0.00 0.00 55.97 58.09 3kb1 s LYS 91 Cb -0.16 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 3kb1 s LYS 91 CO 0.12 -0.42 0.08 0.28 -0.92 0.00 0.00 175.35 174.48 3kb1 n VAL 92 N 4.36 0.00 0.00 3.17 0.31 -0.17 -0.08 118.33 125.92 3kb1 n VAL 92 Ca 0.11 -2.07 0.00 0.00 -0.01 0.00 0.00 64.34 62.37 3kb1 n VAL 92 Cb 0.45 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 3kb1 n VAL 92 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kb1 n SER 94 N -1.47 0.00 0.00 4.52 2.88 -1.26 -2.94 113.62 115.35 3kb1 n SER 94 Ca -0.10 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3kb1 n SER 94 Cb 0.54 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.28 3kb1 n SER 94 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3kb1 n ILE 95 N -1.52 0.53 0.04 2.46 -5.35 -1.26 -1.66 119.36 112.61 3kb1 n ILE 95 Ca 0.00 0.13 -0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3kb1 n ILE 95 Cb 0.00 -0.96 0.29 0.00 -1.74 0.00 0.00 39.64 37.23 3kb1 n ILE 95 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3kb1 h GLN 96 N 0.00 0.41 -0.90 6.28 1.08 -1.98 -2.39 115.11 117.61 3kb1 h GLN 96 Ca 0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3kb1 h GLN 96 Cb 0.07 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3kb1 h GLN 96 CO 0.00 0.55 0.00 1.19 -0.95 0.00 0.00 178.83 179.62 3kb1 n PHE 97 N -4.21 0.00 -3.31 2.96 3.72 -0.66 -4.10 117.46 111.86 3kb1 n PHE 97 Ca 0.00 -0.10 -0.23 0.00 -0.05 0.00 0.00 57.45 57.08 3kb1 n PHE 97 Cb 0.31 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 3kb1 n PHE 97 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kb1 s LEU 98 N 0.00 0.74 -1.26 4.37 2.01 -0.90 -4.13 118.68 119.51 3kb1 s LEU 98 Ca 0.00 -2.57 -0.11 0.00 0.01 0.00 0.00 54.13 51.46 3kb1 s LEU 98 Cb 0.00 0.04 0.16 0.00 0.01 0.00 0.00 46.19 46.40 3kb1 s LEU 98 CO 0.00 -0.18 1.73 -0.11 1.01 0.00 0.00 176.35 178.79 3kb1 n LEU 99 N 3.20 6.11 0.00 1.79 -0.00 -1.26 -5.03 117.00 121.81 3kb1 n LEU 99 Ca 0.23 -4.55 0.00 0.00 -0.00 0.00 0.00 56.01 51.69 3kb1 n LEU 99 Cb 0.47 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 3kb1 n LEU 99 CO 0.08 1.11 0.00 0.18 -0.00 0.00 0.00 177.39 178.76 3kb1 n LEU 112 N 4.65 0.00 0.28 -1.96 7.99 -1.26 -5.18 117.00 121.52 3kb1 n LEU 112 Ca 0.39 0.00 0.16 0.00 -0.01 0.00 0.00 56.01 56.55 3kb1 n LEU 112 Cb 0.39 0.00 0.90 0.00 -0.11 0.00 0.00 43.42 44.60 3kb1 n LEU 112 CO 0.75 0.00 1.13 0.16 -1.51 0.00 0.00 177.39 177.92 3kb1 h ILE 113 N 0.00 0.51 -0.07 -0.08 -0.00 -2.05 -1.67 117.51 114.15 3kb1 h ILE 113 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 3kb1 h ILE 113 Cb 0.00 0.96 -0.00 0.00 -0.00 0.00 0.00 36.82 37.78 3kb1 h ILE 113 CO 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 178.15 178.17 3kb1 h ALA 114 N 1.94 1.90 -0.68 0.16 0.00 -1.98 -3.06 119.26 117.55 3kb1 h ALA 114 Ca 0.02 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.37 3kb1 h ALA 114 Cb 0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.67 3kb1 h ALA 114 CO -0.00 0.08 0.60 0.41 0.00 0.00 0.00 179.25 180.35 3kb1 n GLY 115 N -1.44 4.77 0.09 0.00 0.00 -0.63 -3.86 105.19 104.11 3kb1 n GLY 115 Ca -0.02 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3kb1 n GLY 115 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kb1 n ILE 117 N 0.13 0.00 0.11 -0.61 -0.00 -1.16 -1.61 119.36 116.22 3kb1 n ILE 117 Ca 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 63.23 3kb1 n ILE 117 Cb 0.53 0.00 0.35 0.00 -0.00 0.00 0.00 39.64 40.52 3kb1 n ILE 117 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 3kb1 h ARG 118 N 0.00 0.23 -0.02 0.38 3.08 -1.85 -1.57 114.38 114.64 3kb1 h ARG 118 Ca 0.00 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 3kb1 h ARG 118 Cb 0.00 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3kb1 h ARG 118 CO 0.00 0.43 -0.54 1.49 -1.07 0.00 0.00 179.97 180.28 3kb1 h GLU 119 N 0.22 0.41 0.00 0.04 4.57 -1.66 -1.96 114.58 116.20 3kb1 h GLU 119 Ca 0.04 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3kb1 h GLU 119 Cb 0.48 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3kb1 h GLU 119 CO 0.03 1.07 -0.01 0.74 -1.18 0.00 0.00 179.01 179.66 3kb1 h PHE 120 N -0.09 0.00 0.00 0.92 0.04 -1.77 0.57 116.94 116.61 3kb1 h PHE 120 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3kb1 h PHE 120 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3kb1 h PHE 120 CO 0.14 0.01 -1.12 1.28 -0.60 0.00 0.00 178.31 178.02 3kb1 n LEU 121 N -3.59 0.61 -0.01 1.54 4.77 -0.62 -4.20 117.00 115.49 3kb1 n LEU 121 Ca -0.03 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 3kb1 n LEU 121 Cb 0.09 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3kb1 n LEU 121 CO 0.25 -0.04 -0.58 0.61 -1.33 0.00 0.00 177.39 176.30 3kb1 n GLY 122 N 1.29 -0.06 0.13 -0.72 0.00 -0.42 -4.64 105.19 100.77 3kb1 n GLY 122 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3kb1 n GLY 122 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kb1 h ARG 123 N 0.00 0.29 -7.06 1.61 2.47 -0.15 -3.47 114.38 108.06 3kb1 h ARG 123 Ca -0.06 -0.50 -0.55 0.00 -1.26 0.00 0.00 59.98 57.60 3kb1 h ARG 123 Cb 1.11 0.19 0.14 0.00 -1.65 0.00 0.00 29.97 29.76 3kb1 h ARG 123 CO -0.00 1.24 0.60 0.08 0.56 0.00 0.00 179.97 182.45 3kb1 s VAL 124 N -2.52 2.01 -1.07 2.04 1.01 -1.20 -2.24 120.40 118.44 3kb1 s VAL 124 Ca -0.19 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3kb1 s VAL 124 Cb 0.05 -3.00 0.27 0.00 0.00 0.00 0.00 36.38 33.69 3kb1 s VAL 124 CO 0.79 -0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.95 3kb1 s ALA 125 N -1.30 4.66 -1.28 5.51 0.00 -0.64 -4.78 121.76 123.93 3kb1 s ALA 125 Ca 0.74 -3.82 0.20 0.00 0.00 0.00 0.00 51.96 49.09 3kb1 s ALA 125 Cb -0.41 -3.49 0.98 0.00 0.00 0.00 0.00 23.12 20.20 3kb1 s ALA 125 CO 0.47 -2.20 1.65 0.91 0.00 0.00 0.00 175.76 176.59 3kb1 n TRP 126 N 2.73 0.00 -3.63 0.00 7.02 -1.26 -4.60 117.44 117.70 3kb1 n TRP 126 Ca 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.71 3kb1 n TRP 126 Cb 0.39 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 3kb1 n TRP 126 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kb1 n GLY 127 N 0.51 1.69 3.31 6.99 0.00 -1.26 -4.13 105.19 112.29 3kb1 n GLY 127 Ca 0.08 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3kb1 n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kb1 s GLU 128 N 0.00 2.69 0.08 1.61 2.02 -1.26 -4.62 118.70 119.22 3kb1 s GLU 128 Ca 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 54.97 53.70 3kb1 s GLU 128 Cb 0.00 -3.78 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 3kb1 s GLU 128 CO 0.00 -0.88 -0.14 -0.48 0.02 0.00 0.00 175.26 173.78 3kb1 s LEU 129 N 1.47 2.29 0.02 1.80 0.05 -1.08 -4.94 118.68 118.28 3kb1 s LEU 129 Ca 0.02 -0.63 -0.20 0.00 0.05 0.00 0.00 54.13 53.37 3kb1 s LEU 129 Cb -0.22 -0.52 -0.18 0.00 -2.05 0.00 0.00 46.19 43.22 3kb1 s LEU 129 CO 0.04 -0.08 1.21 0.44 -0.55 0.00 0.00 176.35 177.41 3kb1 h ASP 130 N 4.22 0.45 -4.29 1.48 5.19 -1.49 -1.95 116.42 120.03 3kb1 h ASP 130 Ca -0.41 -0.63 -0.58 0.00 -0.62 0.00 0.00 57.03 54.80 3kb1 h ASP 130 Cb 1.19 -0.13 -0.26 0.00 0.18 0.00 0.00 39.33 40.31 3kb1 h ASP 130 CO 0.41 1.01 -0.84 -0.31 -3.12 0.00 0.00 179.24 176.39 3kb1 s TYR 131 N -3.72 1.79 -0.29 4.55 1.51 -0.98 0.40 117.35 120.62 3kb1 s TYR 131 Ca -0.14 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3kb1 s TYR 131 Cb 0.04 -1.07 0.09 0.00 -0.11 0.00 0.00 41.96 40.91 3kb1 s TYR 131 CO 0.78 0.08 0.06 -1.17 -1.11 0.00 0.00 175.55 174.19 3kb1 s LEU 132 N -1.14 2.50 0.04 -1.29 2.96 -0.69 -0.10 118.68 120.97 3kb1 s LEU 132 Ca 0.07 -1.53 -0.24 0.00 -0.22 0.00 0.00 54.13 52.21 3kb1 s LEU 132 Cb -0.09 -0.99 -0.06 0.00 0.50 0.00 0.00 46.19 45.56 3kb1 s LEU 132 CO 0.02 -0.37 0.74 -0.76 -1.32 0.00 0.00 176.35 174.66 3kb1 s LEU 133 N 1.51 4.45 -0.19 -0.68 1.02 0.22 -2.11 118.68 122.91 3kb1 s LEU 133 Ca 0.06 1.41 -0.03 0.00 0.02 0.00 0.00 54.13 55.59 3kb1 s LEU 133 Cb -0.18 -3.19 -0.01 0.00 0.02 0.00 0.00 46.19 42.83 3kb1 s LEU 133 CO -0.17 0.04 -0.06 -0.63 0.02 0.00 0.00 176.35 175.54 3kb1 s ILE 134 N -0.14 3.38 -0.94 -0.59 1.01 0.75 -0.41 121.20 124.27 3kb1 s ILE 134 Ca 0.37 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 3kb1 s ILE 134 Cb -0.20 -2.50 0.19 0.00 0.01 0.00 0.00 42.46 39.95 3kb1 s ILE 134 CO 0.22 0.46 1.02 -0.62 0.00 0.00 0.00 174.94 176.02 3kb1 s ASP 135 N 1.03 6.82 0.91 3.58 2.15 -1.15 -1.14 116.67 128.88 3kb1 s ASP 135 Ca 0.00 -2.60 -0.11 0.00 0.43 0.00 0.00 52.55 50.27 3kb1 s ASP 135 Cb -0.15 -2.30 0.14 0.00 -0.30 0.00 0.00 42.92 40.32 3kb1 s ASP 135 CO -0.00 -0.74 1.11 -0.76 -0.17 0.00 0.00 175.17 174.61 3kb1 s LEU 136 N 1.06 2.53 0.81 -1.34 1.43 -1.15 -1.00 118.68 121.02 3kb1 s LEU 136 Ca 0.28 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 3kb1 s LEU 136 Cb -0.07 -4.31 0.08 0.00 0.03 0.00 0.00 46.19 41.91 3kb1 s LEU 136 CO -0.08 -2.96 1.09 -2.16 0.23 0.00 0.00 176.35 172.47 3kb1 s PRO 137 N -4.72 1.94 0.81 1.29 0.04 -1.16 -4.51 135.00 128.69 3kb1 s PRO 137 Ca 0.65 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 3kb1 s PRO 137 Cb -0.21 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.54 3kb1 s PRO 137 CO 0.58 -1.82 1.12 -1.25 0.04 0.00 0.00 177.00 175.67 3kb1 s PRO 138 N -4.94 1.90 0.00 0.56 0.04 -1.26 -4.63 135.00 126.67 3kb1 s PRO 138 Ca 0.62 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3kb1 s PRO 138 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3kb1 s PRO 138 CO 0.56 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 176.07 3kb1 n GLY 139 N -0.63 -0.26 0.20 0.56 0.00 0.28 -4.74 105.19 100.60 3kb1 n GLY 139 Ca 0.10 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.38 3kb1 n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kb1 n THR 140 N -0.27 1.69 0.00 2.61 -2.24 -1.25 -4.34 114.28 110.47 3kb1 n THR 140 Ca 0.00 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 3kb1 n THR 140 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3kb1 n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kb1 n GLY 141 N -0.98 -0.63 0.12 3.38 0.00 -1.26 -4.90 105.19 100.92 3kb1 n GLY 141 Ca 0.13 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 3kb1 n GLY 141 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kb1 h ASP 142 N 0.00 0.56 -0.63 1.61 3.32 -1.97 -3.24 116.42 116.07 3kb1 h ASP 142 Ca 0.00 -0.59 0.07 0.00 0.02 0.00 0.00 57.03 56.53 3kb1 h ASP 142 Cb 0.00 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.27 3kb1 h ASP 142 CO 0.00 1.45 -0.57 0.00 -1.72 0.00 0.00 179.24 178.40 3kb1 h ALA 143 N 0.47 -0.69 0.00 3.45 0.00 -1.94 0.44 119.26 121.00 3kb1 h ALA 143 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kb1 h ALA 143 Cb 1.99 1.22 0.00 0.00 0.00 0.00 0.00 17.79 21.00 3kb1 h ALA 143 CO 0.22 -1.02 0.00 -0.35 0.00 0.00 0.00 179.25 178.10 3kb1 n PRO 144 N -5.33 0.01 -0.02 0.00 -0.04 -1.26 -3.20 135.00 125.16 3kb1 n PRO 144 Ca -0.01 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 3kb1 n PRO 144 Cb 0.31 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 3kb1 n PRO 144 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3kb1 h LEU 145 N 0.00 0.26 -0.81 1.53 7.12 -0.26 -3.30 115.31 119.85 3kb1 h LEU 145 Ca 0.00 -0.83 0.09 0.00 0.13 0.00 0.00 57.88 57.28 3kb1 h LEU 145 Cb 0.36 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.34 3kb1 h LEU 145 CO 0.00 1.06 0.46 0.74 -0.13 0.00 0.00 178.44 180.57 3kb1 h THR 146 N -0.50 0.91 0.00 1.05 2.02 -0.85 -2.28 112.91 113.26 3kb1 h THR 146 Ca -0.05 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kb1 h THR 146 Cb 1.13 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3kb1 h THR 146 CO 0.07 0.14 0.00 0.52 0.37 0.00 0.00 175.52 176.62 3kb1 n VAL 147 N -4.75 0.00 0.00 3.16 0.31 -1.25 -2.82 118.33 112.98 3kb1 n VAL 147 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3kb1 n VAL 147 Cb 0.27 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3kb1 n VAL 147 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3kb1 n GLN 149 N 0.94 0.00 0.06 5.55 -0.06 -0.86 -1.31 117.38 121.70 3kb1 n GLN 149 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3kb1 n GLN 149 Cb 0.00 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.05 3kb1 n GLN 149 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 3kb1 h ASP 150 N 0.00 0.20 0.00 1.69 3.32 -1.83 -3.38 116.42 116.41 3kb1 h ASP 150 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3kb1 h ASP 150 Cb 0.00 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3kb1 h ASP 150 CO 0.00 1.19 -0.16 0.00 -1.72 0.00 0.00 179.24 178.55 3kb1 h ALA 151 N 0.78 0.03 -5.73 3.45 0.00 -1.47 -3.50 119.26 112.82 3kb1 h ALA 151 Ca -0.13 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 53.97 3kb1 h ALA 151 Cb 1.91 0.10 0.15 0.00 0.00 0.00 0.00 17.79 19.95 3kb1 h ALA 151 CO 0.15 0.10 -0.87 1.63 0.00 0.00 0.00 179.25 180.26 3kb1 n LYS 152 N -4.62 -2.79 -0.85 0.00 5.02 -1.26 -4.95 118.16 108.70 3kb1 n LYS 152 Ca -0.11 0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 56.60 3kb1 n LYS 152 Cb 0.41 -5.35 0.14 0.00 -0.02 0.00 0.00 35.03 30.22 3kb1 n LYS 152 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kb1 n PRO 153 N -3.68 -0.20 0.11 1.97 -0.04 -1.26 -4.93 135.00 126.96 3kb1 n PRO 153 Ca -0.13 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3kb1 n PRO 153 Cb 0.63 -2.27 0.05 0.00 -0.04 0.00 0.00 33.50 31.87 3kb1 n PRO 153 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3kb1 h ASN 154 N -1.46 0.00 -5.00 3.54 4.21 -1.28 -3.38 115.58 112.20 3kb1 h ASN 154 Ca -0.44 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 56.97 3kb1 h ASN 154 Cb 1.28 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 38.31 3kb1 h ASN 154 CO 0.41 0.02 0.13 -0.83 -1.29 0.00 0.00 177.43 175.87 3kb1 s GLY 155 N -4.21 -0.52 0.04 2.83 0.00 -1.06 -2.60 107.32 101.80 3kb1 s GLY 155 Ca 0.02 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.74 3kb1 s GLY 155 CO 0.76 0.66 -0.06 0.00 0.00 0.00 0.00 173.10 174.47 3kb1 s ALA 156 N -1.78 0.45 -0.11 3.20 0.00 0.52 -1.14 121.76 122.90 3kb1 s ALA 156 Ca -0.08 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3kb1 s ALA 156 Cb -0.01 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3kb1 s ALA 156 CO 0.04 -0.12 -0.22 0.08 0.00 0.00 0.00 175.76 175.54 3kb1 s VAL 157 N -1.88 2.18 -0.20 0.00 1.01 0.15 -0.32 120.40 121.33 3kb1 s VAL 157 Ca -0.08 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.73 3kb1 s VAL 157 Cb -0.07 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3kb1 s VAL 157 CO -0.02 0.55 0.58 -0.63 0.00 0.00 0.00 175.10 175.58 3kb1 s ILE 158 N 0.45 5.06 -0.15 2.22 1.09 -0.73 -4.37 121.20 124.78 3kb1 s ILE 158 Ca -0.15 1.07 0.01 0.00 -1.10 0.00 0.00 60.65 60.47 3kb1 s ILE 158 Cb -0.17 -3.89 -0.00 0.00 -1.06 0.00 0.00 42.46 37.33 3kb1 s ILE 158 CO 0.06 0.13 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.18 3kb1 s VAL 159 N 1.84 2.58 0.01 2.92 1.01 -1.26 -0.35 120.40 127.15 3kb1 s VAL 159 Ca 0.26 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 3kb1 s VAL 159 Cb -0.16 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.24 3kb1 s VAL 159 CO 0.10 0.52 0.82 -0.44 0.00 0.00 0.00 175.10 176.10 3kb1 s SER 160 N 0.75 -0.44 0.59 3.32 0.01 -0.84 -3.98 113.70 113.12 3kb1 s SER 160 Ca -0.07 0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 3kb1 s SER 160 Cb -0.16 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 3kb1 s SER 160 CO 0.01 -0.66 1.04 0.42 0.41 0.00 0.00 173.24 174.45 3kb1 s THR 161 N -2.83 4.04 0.11 1.44 -4.23 -1.26 -1.93 115.64 110.99 3kb1 s THR 161 Ca 0.02 0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 61.20 3kb1 s THR 161 Cb -0.01 -3.48 -0.08 0.00 1.34 0.00 0.00 72.50 70.27 3kb1 s THR 161 CO -0.07 -0.62 1.67 -0.65 -0.54 0.00 0.00 174.62 174.41 3kb1 h PRO 162 N 0.38 -0.30 0.00 3.99 0.11 -1.89 -1.46 132.00 132.83 3kb1 h PRO 162 Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kb1 h PRO 162 Cb 1.21 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kb1 h PRO 162 CO 0.58 -0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 3kb1 n GLN 163 N -5.31 0.11 -3.18 1.05 10.64 -1.25 -3.37 117.38 116.08 3kb1 n GLN 163 Ca -0.06 0.08 -0.20 0.00 -1.83 0.00 0.00 57.00 55.00 3kb1 n GLN 163 Cb 0.22 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.04 3kb1 n GLN 163 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3kb1 n GLU 164 N -1.10 0.36 -2.71 2.61 2.13 -0.55 -4.95 120.64 116.43 3kb1 n GLU 164 Ca 0.03 -2.82 -0.06 0.00 0.66 0.00 0.00 57.16 54.96 3kb1 n GLU 164 Cb 0.02 -1.56 0.05 0.00 0.27 0.00 0.00 31.44 30.22 3kb1 n GLU 164 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3kb1 n LEU 165 N 2.64 0.96 -4.62 4.31 7.94 -1.22 -4.00 117.00 123.01 3kb1 n LEU 165 Ca 0.25 -3.48 -0.35 0.00 -1.11 0.00 0.00 56.01 51.31 3kb1 n LEU 165 Cb 0.51 0.38 0.09 0.00 0.53 0.00 0.00 43.42 44.94 3kb1 n LEU 165 CO 0.06 1.47 0.56 0.35 -1.11 0.00 0.00 177.39 178.73 3kb1 n THR 166 N -0.33 2.67 0.24 1.96 -2.24 -1.26 -4.83 114.28 110.49 3kb1 n THR 166 Ca 0.06 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 3kb1 n THR 166 Cb 0.82 -1.11 0.58 0.00 -2.10 0.00 0.00 70.33 68.51 3kb1 n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kb1 h ALA 167 N -0.37 1.14 0.67 6.98 0.00 -1.98 -2.12 119.26 123.58 3kb1 h ALA 167 Ca -0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3kb1 h ALA 167 Cb 1.33 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3kb1 h ALA 167 CO 0.46 0.24 -0.32 0.00 0.00 0.00 0.00 179.25 179.63 3kb1 h ALA 168 N 1.81 -0.90 -0.66 0.00 0.00 -1.99 -2.02 119.26 115.51 3kb1 h ALA 168 Ca -0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 3kb1 h ALA 168 Cb 0.56 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 3kb1 h ALA 168 CO 0.02 -0.84 0.22 0.28 0.00 0.00 0.00 179.25 178.93 3kb1 h VAL 169 N -1.23 0.68 -0.01 0.00 2.07 -1.90 0.48 116.25 116.35 3kb1 h VAL 169 Ca -0.09 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kb1 h VAL 169 Cb 0.69 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3kb1 h VAL 169 CO 0.15 0.07 0.01 0.58 0.02 0.00 0.00 177.57 178.39 3kb1 h VAL 170 N 0.37 0.79 0.00 2.57 2.07 -1.40 -1.25 116.25 119.40 3kb1 h VAL 170 Ca 0.35 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.65 3kb1 h VAL 170 Cb 0.50 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3kb1 h VAL 170 CO -0.37 0.00 -1.27 -0.33 0.02 0.00 0.00 177.57 175.62 3kb1 h GLU 171 N 0.00 0.00 0.00 1.57 5.08 0.59 -2.91 114.58 118.91 3kb1 h GLU 171 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3kb1 h GLU 171 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kb1 h GLU 171 CO -0.00 0.61 -0.12 0.87 -1.00 0.00 0.00 179.01 179.37 3kb1 h LYS 172 N 0.00 0.00 0.02 2.33 1.57 0.44 -0.45 116.57 120.48 3kb1 h LYS 172 Ca -0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kb1 h LYS 172 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.08 3kb1 h LYS 172 CO 0.09 0.12 -0.01 0.00 -0.57 0.00 0.00 179.45 179.08 3kb1 h ALA 173 N 1.88 -0.03 -0.03 3.86 0.00 -1.42 -3.19 119.26 120.33 3kb1 h ALA 173 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kb1 h ALA 173 Cb 0.40 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kb1 h ALA 173 CO 0.02 -0.08 0.03 0.82 0.00 0.00 0.00 179.25 180.04 3kb1 h ILE 174 N -0.91 0.49 0.00 0.00 1.08 -1.27 -1.96 117.51 114.94 3kb1 h ILE 174 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kb1 h ILE 174 Cb 0.73 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3kb1 h ILE 174 CO 0.01 0.00 0.00 0.41 -0.69 0.00 0.00 178.15 177.88 3kb1 n THR 175 N -3.80 0.00 0.00 -0.27 -1.04 -0.21 -3.61 114.28 105.34 3kb1 n THR 175 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3kb1 n THR 175 Cb 0.12 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 3kb1 n THR 175 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kb1 n ALA 177 N -0.18 0.00 0.04 2.41 0.00 -0.74 -3.42 120.51 118.62 3kb1 n ALA 177 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3kb1 n ALA 177 Cb 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 3kb1 n ALA 177 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kb1 h GLU 178 N 0.00 0.32 0.00 0.00 4.39 -1.83 0.88 114.58 118.34 3kb1 h GLU 178 Ca 0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3kb1 h GLU 178 Cb 0.00 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3kb1 h GLU 178 CO 0.00 1.26 0.00 0.94 -1.16 0.00 0.00 179.01 180.05 3kb1 n GLN 179 N -3.65 0.06 0.00 2.33 7.27 -1.22 -2.15 117.38 120.02 3kb1 n GLN 179 Ca -0.27 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3kb1 n GLN 179 Cb 1.03 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 32.18 3kb1 n GLN 179 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3kb1 n THR 180 N -1.41 0.00 -3.50 1.69 -2.24 -1.25 -4.94 114.28 102.63 3kb1 n THR 180 Ca 0.03 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 3kb1 n THR 180 Cb 0.10 1.67 0.02 0.00 -2.10 0.00 0.00 70.33 70.01 3kb1 n THR 180 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kb1 n LYS 181 N -0.00 -1.37 -4.07 -0.78 4.81 -0.17 -4.76 118.16 111.81 3kb1 n LYS 181 Ca 0.00 0.91 -0.30 0.00 -0.87 0.00 0.00 58.31 58.05 3kb1 n LYS 181 Cb 0.17 -4.15 -0.16 0.00 0.02 0.00 0.00 35.03 30.91 3kb1 n LYS 181 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3kb1 s THR 182 N -3.16 1.56 0.26 3.15 -1.32 0.29 -4.86 115.64 111.56 3kb1 s THR 182 Ca 0.17 -0.63 -0.30 0.00 -1.21 0.00 0.00 61.69 59.71 3kb1 s THR 182 Cb -0.06 -1.46 -0.11 0.00 -1.51 0.00 0.00 72.50 69.36 3kb1 s THR 182 CO 0.83 0.46 1.59 0.00 -2.21 0.00 0.00 174.62 175.29 3kb1 s ALA 183 N 1.43 3.76 -0.66 11.08 0.00 -1.07 -4.67 121.76 131.64 3kb1 s ALA 183 Ca 0.04 1.52 -0.25 0.00 0.00 0.00 0.00 51.96 53.26 3kb1 s ALA 183 Cb -0.13 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.39 3kb1 s ALA 183 CO -0.10 -0.92 1.12 0.14 0.00 0.00 0.00 175.76 176.00 3kb1 s VAL 184 N 0.27 4.05 0.21 0.00 -7.23 -1.26 -0.36 120.40 116.08 3kb1 s VAL 184 Ca 0.65 0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 61.00 3kb1 s VAL 184 Cb -0.47 -4.75 0.14 0.00 0.56 0.00 0.00 36.38 31.86 3kb1 s VAL 184 CO 0.43 -1.53 1.77 -0.07 -0.31 0.00 0.00 175.10 175.39 3kb1 h LEU 185 N 12.02 1.06 0.00 1.32 3.38 -1.02 -3.43 115.31 128.63 3kb1 h LEU 185 Ca -0.27 -0.18 0.31 0.00 0.09 0.00 0.00 57.88 57.83 3kb1 h LEU 185 Cb 1.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3kb1 h LEU 185 CO 1.20 0.95 0.79 0.61 0.09 0.00 0.00 178.44 182.08 3kb1 n GLY 186 N -0.86 0.23 3.04 0.83 0.00 -1.25 -2.91 105.19 104.28 3kb1 n GLY 186 Ca 0.06 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 3kb1 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kb1 s ILE 187 N -2.03 1.13 -0.23 -0.61 1.01 -0.79 -1.77 121.20 117.92 3kb1 s ILE 187 Ca 0.26 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 3kb1 s ILE 187 Cb -0.00 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 3kb1 s ILE 187 CO -0.01 0.35 -0.04 -0.69 0.00 0.00 0.00 174.94 174.54 3kb1 s VAL 188 N 0.52 3.30 -0.89 2.92 1.01 0.52 -2.17 120.40 125.62 3kb1 s VAL 188 Ca -0.12 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3kb1 s VAL 188 Cb -0.14 -2.53 0.17 0.00 0.00 0.00 0.00 36.38 33.87 3kb1 s VAL 188 CO 0.03 0.38 0.99 -0.70 0.00 0.00 0.00 175.10 175.80 3kb1 s GLU 189 N 1.46 3.60 -1.13 2.72 2.12 0.04 -1.98 118.70 125.54 3kb1 s GLU 189 Ca 0.05 -2.04 -0.19 0.00 0.36 0.00 0.00 54.97 53.15 3kb1 s GLU 189 Cb -0.15 -4.72 -0.05 0.00 0.26 0.00 0.00 34.13 29.47 3kb1 s GLU 189 CO -0.03 -1.58 2.03 -1.71 -0.54 0.00 0.00 175.26 173.43 3kb1 n ASN 190 N 5.52 3.31 0.00 -1.70 5.15 -0.81 -2.41 115.26 124.32 3kb1 n ASN 190 Ca 0.20 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 3kb1 n ASN 190 Cb 0.48 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 3kb1 n ASN 190 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kb1 n ALA 192 N 7.55 0.00 -3.21 5.20 0.00 -1.08 -4.11 120.51 124.85 3kb1 n ALA 192 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 3kb1 n ALA 192 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 3kb1 n ALA 192 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3kb1 n TYR 193 N -0.24 -0.59 -3.80 0.00 0.18 -1.26 -1.59 117.16 109.86 3kb1 n TYR 193 Ca 0.00 -0.48 -0.13 0.00 1.88 0.00 0.00 57.90 59.17 3kb1 n TYR 193 Cb 0.00 0.11 -0.13 0.00 -0.38 0.00 0.00 39.34 38.94 3kb1 n TYR 193 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 3kb1 s PHE 194 N -4.35 -0.18 -0.22 -3.48 5.36 -0.68 -0.99 117.98 113.44 3kb1 s PHE 194 Ca 0.06 0.45 -0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3kb1 s PHE 194 Cb -0.00 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 3kb1 s PHE 194 CO 0.04 -0.11 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.36 3kb1 s GLU 195 N 0.34 2.88 -0.21 10.12 2.02 -1.26 -1.43 118.70 131.16 3kb1 s GLU 195 Ca -0.02 -0.92 -0.29 0.00 0.02 0.00 0.00 54.97 53.75 3kb1 s GLU 195 Cb -0.03 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 3kb1 s GLU 195 CO -0.01 -0.32 1.51 0.00 0.02 0.00 0.00 175.26 176.46 3kb1 n PRO 197 N 7.40 0.05 -0.06 0.00 -0.04 -1.26 0.17 135.00 141.25 3kb1 n PRO 197 Ca 0.17 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.77 3kb1 n PRO 197 Cb 0.45 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 3kb1 n PRO 197 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3kb1 h ASN 198 N 0.00 0.01 0.00 3.54 -1.24 -1.98 -3.41 115.58 112.50 3kb1 h ASN 198 Ca 0.00 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.08 3kb1 h ASN 198 Cb 0.15 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3kb1 h ASN 198 CO 0.00 0.95 -0.10 0.00 -1.29 0.00 0.00 177.43 176.98 3kb1 n GLY 200 N 1.02 0.73 3.68 0.00 0.00 0.45 -5.01 105.19 106.06 3kb1 n GLY 200 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kb1 n GLY 200 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kb1 n GLU 201 N -2.42 0.33 -4.03 1.61 4.07 -1.25 -4.64 120.64 114.31 3kb1 n GLU 201 Ca 0.00 0.18 -0.31 0.00 -0.06 0.00 0.00 57.16 56.98 3kb1 n GLU 201 Cb 0.00 -2.41 -0.16 0.00 -0.06 0.00 0.00 31.44 28.81 3kb1 n GLU 201 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3kb1 s ARG 202 N -3.90 2.36 -0.27 5.31 0.52 -1.26 -1.79 118.95 119.93 3kb1 s ARG 202 Ca 0.74 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.25 3kb1 s ARG 202 Cb -0.31 -2.22 -0.00 0.00 0.52 0.00 0.00 34.95 32.94 3kb1 s ARG 202 CO 0.50 -0.26 0.05 0.99 0.02 0.00 0.00 175.30 176.60 3kb1 s THR 203 N 1.44 3.90 -0.10 0.02 2.01 -0.51 -4.93 115.64 117.47 3kb1 s THR 203 Ca 0.04 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.30 3kb1 s THR 203 Cb -0.13 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 3kb1 s THR 203 CO -0.11 0.22 0.61 -0.31 -0.69 0.00 0.00 174.62 174.34 3kb1 s TYR 204 N 1.52 3.52 0.62 4.92 1.51 -1.26 -1.69 117.35 126.49 3kb1 s TYR 204 Ca 0.04 1.08 -0.16 0.00 -1.01 0.00 0.00 57.07 57.02 3kb1 s TYR 204 Cb -0.16 -2.72 -0.02 0.00 -0.11 0.00 0.00 41.96 38.95 3kb1 s TYR 204 CO 0.01 0.07 1.11 -0.51 -1.11 0.00 0.00 175.55 175.13 3kb1 s LEU 205 N 0.91 3.50 0.03 -1.29 1.43 -0.62 -4.92 118.68 117.72 3kb1 s LEU 205 Ca 0.32 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 55.14 3kb1 s LEU 205 Cb -0.17 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.40 3kb1 s LEU 205 CO 0.14 -1.47 1.95 0.33 0.23 0.00 0.00 176.35 177.54 3kb1 n PHE 206 N -2.08 2.50 0.00 0.29 -0.00 -1.26 -2.07 117.46 114.85 3kb1 n PHE 206 Ca 0.10 -0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 3kb1 n PHE 206 Cb 0.52 -2.78 0.00 0.00 -0.00 0.00 0.00 39.48 37.21 3kb1 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kb1 n GLY 207 N 4.51 0.40 3.76 7.13 0.00 -1.26 -3.85 105.19 115.88 3kb1 n GLY 207 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3kb1 n GLY 207 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kb1 s GLU 208 N -0.85 3.31 0.00 1.61 4.04 -0.88 -3.36 118.70 122.58 3kb1 s GLU 208 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 54.97 56.84 3kb1 s GLU 208 Cb 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 34.13 32.01 3kb1 s GLU 208 CO 0.00 -0.93 0.00 0.41 -1.84 0.00 0.00 175.26 172.90 3kb1 n GLY 209 N 0.45 0.16 0.00 -3.83 0.00 -1.26 -4.93 105.19 95.79 3kb1 n GLY 209 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3kb1 n GLY 209 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kb1 n LYS 210 N -1.88 0.20 0.04 1.61 3.00 -1.21 -3.73 118.16 116.19 3kb1 n LYS 210 Ca 0.00 0.13 -0.10 0.00 -0.00 0.00 0.00 58.31 58.34 3kb1 n LYS 210 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.46 3kb1 n LYS 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kb1 h ALA 211 N 2.82 -0.19 -0.79 3.14 0.00 -1.91 -2.90 119.26 119.43 3kb1 h ALA 211 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kb1 h ALA 211 Cb 0.21 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kb1 h ALA 211 CO 0.00 -0.25 0.52 0.66 0.00 0.00 0.00 179.25 180.19 3kb1 h SER 212 N -0.90 0.87 -0.08 0.00 4.64 -1.95 0.48 113.55 116.61 3kb1 h SER 212 Ca -0.02 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3kb1 h SER 212 Cb 0.52 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kb1 h SER 212 CO 0.03 0.61 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.24 3kb1 h GLU 213 N 1.02 0.16 -0.39 4.77 5.08 -1.67 -0.90 114.58 122.64 3kb1 h GLU 213 Ca 0.30 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kb1 h GLU 213 Cb -0.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kb1 h GLU 213 CO -0.08 0.53 0.22 -0.07 -1.00 0.00 0.00 179.01 178.61 3kb1 h LEU 214 N -0.21 0.47 -0.30 1.33 3.38 -1.28 -0.99 115.31 117.71 3kb1 h LEU 214 Ca 0.02 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kb1 h LEU 214 Cb 0.48 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3kb1 h LEU 214 CO 0.01 0.41 0.07 0.00 0.09 0.00 0.00 178.44 179.02 3kb1 h ALA 215 N 1.09 0.33 -0.92 1.53 0.00 -0.86 0.19 119.26 120.61 3kb1 h ALA 215 Ca 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kb1 h ALA 215 Cb 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3kb1 h ALA 215 CO -0.02 -0.34 0.54 0.00 0.00 0.00 0.00 179.25 179.42 3kb1 h ARG 216 N 0.19 1.25 -0.14 0.00 3.08 -0.98 0.36 114.38 118.13 3kb1 h ARG 216 Ca 0.14 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3kb1 h ARG 216 Cb 0.14 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3kb1 h ARG 216 CO -0.18 0.89 0.06 -0.22 -1.07 0.00 0.00 179.97 179.45 3kb1 h LYS 217 N 1.27 0.22 -0.54 0.04 3.64 -0.31 -3.18 116.57 117.70 3kb1 h LYS 217 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3kb1 h LYS 217 Cb -0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3kb1 h LYS 217 CO -0.06 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.09 3kb1 n TYR 218 N -4.88 0.71 -3.20 1.91 0.53 0.57 -4.97 117.16 107.83 3kb1 n TYR 218 Ca -0.05 -0.36 -0.15 0.00 -1.02 0.00 0.00 57.90 56.32 3kb1 n TYR 218 Cb 0.12 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.50 3kb1 n TYR 218 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3kb1 n LYS 219 N 1.24 -5.59 -3.79 -0.72 4.76 0.30 -5.02 118.16 109.34 3kb1 n LYS 219 Ca 0.20 0.68 -0.36 0.00 -2.87 0.00 0.00 58.31 55.96 3kb1 n LYS 219 Cb 0.51 -5.21 -0.07 0.00 -1.84 0.00 0.00 35.03 28.42 3kb1 n LYS 219 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kb1 s ILE 220 N -3.28 5.44 -0.06 -0.18 1.01 0.99 -5.02 121.20 120.10 3kb1 s ILE 220 Ca 0.11 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 3kb1 s ILE 220 Cb -0.05 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 3kb1 s ILE 220 CO 0.59 0.53 0.62 -0.08 0.00 0.00 0.00 174.94 176.60 3kb1 h GLU 221 N 5.77 -0.30 -6.29 2.79 4.81 -1.84 -3.42 114.58 116.11 3kb1 h GLU 221 Ca -0.48 0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.20 3kb1 h GLU 221 Cb 1.19 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3kb1 h GLU 221 CO 0.67 -0.02 -0.08 0.12 -0.73 0.00 0.00 179.01 178.96 3kb1 s PHE 222 N -3.01 3.65 -0.14 0.92 5.36 -1.15 -5.05 117.98 118.56 3kb1 s PHE 222 Ca -0.09 1.10 -0.13 0.00 -0.96 0.00 0.00 56.93 56.85 3kb1 s PHE 222 Cb 0.00 -2.39 0.04 0.00 -0.34 0.00 0.00 43.02 40.33 3kb1 s PHE 222 CO 0.30 0.47 0.38 -1.50 -1.46 0.00 0.00 175.22 173.42 3kb1 s ILE 223 N -1.37 0.00 -0.02 3.12 -1.16 -1.26 -1.88 121.20 118.63 3kb1 s ILE 223 Ca 0.35 -0.00 -0.20 0.00 -0.51 0.00 0.00 60.65 60.29 3kb1 s ILE 223 Cb -0.16 -0.54 0.04 0.00 0.61 0.00 0.00 42.46 42.41 3kb1 s ILE 223 CO 0.19 -0.00 0.42 0.28 -2.81 0.00 0.00 174.94 173.02 3kb1 s THR 224 N 0.19 0.04 -0.32 4.00 -1.32 -0.92 -4.98 115.64 112.33 3kb1 s THR 224 Ca -0.00 -0.35 0.01 0.00 -1.21 0.00 0.00 61.69 60.14 3kb1 s THR 224 Cb -0.03 -0.76 0.10 0.00 -1.51 0.00 0.00 72.50 70.30 3kb1 s THR 224 CO 0.01 -0.19 0.07 -1.61 -2.21 0.00 0.00 174.62 170.69 3kb1 s GLU 225 N -1.44 1.06 -0.28 7.08 2.02 -1.26 -0.78 118.70 125.10 3kb1 s GLU 225 Ca -0.12 -1.37 -0.22 0.00 0.02 0.00 0.00 54.97 53.28 3kb1 s GLU 225 Cb -0.03 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 3kb1 s GLU 225 CO 0.05 -0.95 0.72 0.42 0.02 0.00 0.00 175.26 175.52 3kb1 s ILE 226 N 1.33 4.89 0.87 -1.63 1.01 -1.01 -4.91 121.20 121.75 3kb1 s ILE 226 Ca 0.09 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 3kb1 s ILE 226 Cb -0.18 -4.05 0.11 0.00 0.01 0.00 0.00 42.46 38.36 3kb1 s ILE 226 CO -0.17 -0.11 1.11 -2.16 0.00 0.00 0.00 174.94 173.60 3kb1 s PRO 227 N 2.73 1.49 -0.65 2.79 0.04 -1.26 -2.62 135.00 137.51 3kb1 s PRO 227 Ca 0.29 0.55 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 3kb1 s PRO 227 Cb -0.15 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 3kb1 s PRO 227 CO 0.10 -2.02 1.66 0.42 0.04 0.00 0.00 177.00 177.20 3kb1 s ILE 228 N -3.13 3.49 -0.42 0.56 1.01 -0.16 -4.74 121.20 117.80 3kb1 s ILE 228 Ca 0.63 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 61.44 3kb1 s ILE 228 Cb -0.16 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.09 3kb1 s ILE 228 CO 0.55 -1.23 0.28 -0.62 0.00 0.00 0.00 174.94 173.92 3kb1 s ASP 229 N 6.54 5.88 0.58 3.58 2.15 -1.26 -4.72 116.67 129.43 3kb1 s ASP 229 Ca 0.56 -1.19 0.29 0.00 0.43 0.00 0.00 52.55 52.64 3kb1 s ASP 229 Cb -0.11 -2.08 1.46 0.00 -0.30 0.00 0.00 42.92 41.89 3kb1 s ASP 229 CO 0.19 -0.50 1.88 0.77 -0.17 0.00 0.00 175.17 177.33 3kb1 h SER 230 N 8.54 0.00 -0.10 -0.34 4.64 -1.98 -0.48 113.55 123.83 3kb1 h SER 230 Ca -0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 3kb1 h SER 230 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kb1 h SER 230 CO 0.75 0.00 -0.25 0.44 -0.87 0.00 0.00 176.83 176.90 3kb1 h ASP 231 N 0.00 0.39 0.23 4.97 3.32 -1.99 -2.06 116.42 121.27 3kb1 h ASP 231 Ca 0.26 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3kb1 h ASP 231 Cb 1.32 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3kb1 h ASP 231 CO -0.00 0.91 0.00 0.25 -1.72 0.00 0.00 179.24 178.68 3kb1 h LEU 232 N -0.11 0.00 0.00 1.55 5.85 -1.51 -0.02 115.31 121.07 3kb1 h LEU 232 Ca -0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 3kb1 h LEU 232 Cb 0.86 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3kb1 h LEU 232 CO 0.05 0.00 -1.46 0.25 -0.34 0.00 0.00 178.44 176.95 3kb1 h LEU 233 N 0.00 0.00 0.01 2.25 5.85 -1.35 -2.74 115.31 119.33 3kb1 h LEU 233 Ca 0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kb1 h LEU 233 Cb 0.11 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kb1 h LEU 233 CO 0.00 1.00 -0.00 0.50 -0.34 0.00 0.00 178.44 179.60 3kb1 h LYS 234 N 0.00 -0.01 0.00 1.25 3.64 -0.31 -3.09 116.57 118.04 3kb1 h LYS 234 Ca -0.19 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 3kb1 h LYS 234 Cb 1.93 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 3kb1 h LYS 234 CO 0.10 0.55 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.47 3kb1 h LEU 235 N -0.58 0.00 -0.50 5.20 3.38 -1.41 -2.53 115.31 118.87 3kb1 h LEU 235 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kb1 h LEU 235 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3kb1 h LEU 235 CO 0.00 0.29 -0.14 0.28 0.09 0.00 0.00 178.44 178.96 3kb1 h SER 236 N 0.00 0.99 -0.15 -0.43 0.02 -1.54 0.86 113.55 113.30 3kb1 h SER 236 Ca -0.00 -0.37 -0.20 0.00 -0.84 0.00 0.00 61.79 60.38 3kb1 h SER 236 Cb 0.90 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3kb1 h SER 236 CO 0.04 1.13 -0.68 0.44 -1.14 0.00 0.00 176.83 176.62 3kb1 h ASP 237 N 0.84 0.90 0.38 3.07 3.45 -1.44 -2.95 116.42 120.67 3kb1 h ASP 237 Ca 0.12 -0.54 0.00 0.00 0.43 0.00 0.00 57.03 57.04 3kb1 h ASP 237 Cb 0.71 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3kb1 h ASP 237 CO 0.05 1.33 0.00 0.18 -1.57 0.00 0.00 179.24 179.23 3kb1 n LEU 238 N -3.95 0.00 -2.22 1.55 4.77 -0.97 -4.89 117.00 111.29 3kb1 n LEU 238 Ca -0.06 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 3kb1 n LEU 238 Cb 0.69 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3kb1 n LEU 238 CO 0.51 -0.08 0.11 0.61 -1.33 0.00 0.00 177.39 177.21 3kb1 n GLY 239 N 0.50 0.10 2.39 -0.72 0.00 -0.85 -4.78 105.19 101.82 3kb1 n GLY 239 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kb1 n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb1 n ARG 240 N -2.87 1.40 0.00 1.61 1.74 0.24 -2.63 116.66 116.15 3kb1 n ARG 240 Ca -0.05 -3.16 0.02 0.00 -0.77 0.00 0.00 57.85 53.90 3kb1 n ARG 240 Cb 0.55 -1.24 0.11 0.00 -1.02 0.00 0.00 32.46 30.86 3kb1 n ARG 240 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3kb1 n VAL 241 N -0.34 1.40 0.80 1.55 3.14 -0.99 -1.52 118.33 122.37 3kb1 n VAL 241 Ca 0.09 0.35 0.13 0.00 -2.96 0.00 0.00 64.34 61.95 3kb1 n VAL 241 Cb 0.90 -1.27 0.42 0.00 -1.06 0.00 0.00 33.84 32.83 3kb1 n VAL 241 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kb1 n GLU 242 N -1.41 0.14 0.00 1.45 1.02 -1.26 -3.26 120.64 117.31 3kb1 n GLU 242 Ca 0.02 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3kb1 n GLU 242 Cb 0.05 -1.64 0.13 0.00 -0.02 0.00 0.00 31.44 29.96 3kb1 n GLU 242 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kb1 n GLU 243 N -1.87 0.55 -1.68 3.49 1.02 -0.57 -4.86 120.64 116.71 3kb1 n GLU 243 Ca 0.06 -0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 56.38 3kb1 n GLU 243 Cb 0.39 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3kb1 n GLU 243 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3kb1 s TYR 244 N -2.73 1.27 0.10 -0.32 6.14 -1.20 -4.88 117.35 115.73 3kb1 s TYR 244 Ca 0.16 0.72 -0.12 0.00 0.64 0.00 0.00 57.07 58.47 3kb1 s TYR 244 Cb 0.18 -3.91 -0.16 0.00 0.42 0.00 0.00 41.96 38.49 3kb1 s TYR 244 CO 0.66 -3.61 1.29 1.49 0.64 0.00 0.00 175.55 176.02 3kb1 h GLU 245 N 15.44 0.76 -6.49 4.97 4.81 -1.91 -3.44 114.58 128.71 3kb1 h GLU 245 Ca -0.37 -0.65 -0.53 0.00 -0.13 0.00 0.00 59.36 57.68 3kb1 h GLU 245 Cb 1.23 0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.78 3kb1 h GLU 245 CO 1.01 1.26 0.93 -1.25 -0.73 0.00 0.00 179.01 180.23 3kb1 s PRO 246 N -3.66 4.22 -0.43 0.92 0.04 -1.26 -4.96 135.00 129.86 3kb1 s PRO 246 Ca -0.10 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 3kb1 s PRO 246 Cb 0.08 -3.47 0.08 0.00 0.04 0.00 0.00 34.50 31.24 3kb1 s PRO 246 CO 0.91 -0.67 0.29 0.34 0.04 0.00 0.00 177.00 177.91 3kb1 s ASP 247 N 1.96 5.74 0.00 6.66 3.68 -1.26 -4.94 116.67 128.51 3kb1 s ASP 247 Ca 0.71 -1.51 0.31 0.00 2.13 0.00 0.00 52.55 54.19 3kb1 s ASP 247 Cb -0.40 -2.03 1.73 0.00 -1.45 0.00 0.00 42.92 40.78 3kb1 s ASP 247 CO 0.31 -0.57 2.13 0.79 0.13 0.00 0.00 175.17 177.96 3kb1 n TRP 248 N 4.97 0.00 -0.30 -5.34 7.02 -1.26 -3.11 117.44 119.42 3kb1 n TRP 248 Ca -0.10 -0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.44 3kb1 n TRP 248 Cb 0.43 0.00 0.17 0.00 -2.42 0.00 0.00 31.31 29.48 3kb1 n TRP 248 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3kb1 n PHE 249 N -0.76 0.53 -0.86 -5.99 3.72 -1.26 -4.76 117.46 108.07 3kb1 n PHE 249 Ca 0.23 -0.56 -0.12 0.00 -0.05 0.00 0.00 57.45 56.95 3kb1 n PHE 249 Cb 0.16 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.49 3kb1 n PHE 249 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kb1 n GLU 250 N 0.34 1.80 0.00 -1.08 -0.58 -1.18 -1.27 120.64 118.67 3kb1 n GLU 250 Ca 0.13 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 3kb1 n GLU 250 Cb 0.49 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3kb1 n GLU 250 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kb1 n PHE 251 N 2.67 0.00 -2.04 -0.32 0.99 -1.26 -5.12 117.46 112.38 3kb1 n PHE 251 Ca 0.39 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.42 3kb1 n PHE 251 Cb 0.73 0.05 -0.03 0.00 -1.00 0.00 0.00 39.48 39.24 3kb1 n PHE 251 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 3kb1 s PHE 252 N 0.00 2.81 0.53 1.38 5.99 -0.40 -4.95 117.98 123.34 3kb1 s PHE 252 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 56.93 57.33 3kb1 s PHE 252 Cb 0.00 -3.84 -0.06 0.00 0.00 0.00 0.00 43.02 39.12 3kb1 s PHE 252 CO 0.00 -3.17 1.26 -0.35 -0.00 0.00 0.00 175.22 172.96 3kb1 n PRO 253 N 4.88 1.59 -1.65 10.12 -0.04 -1.26 -4.94 135.00 143.70 3kb1 n PRO 253 Ca 0.14 0.58 -0.38 0.00 -0.04 0.00 0.00 63.50 63.80 3kb1 n PRO 253 Cb 0.41 -2.45 0.05 0.00 -0.04 0.00 0.00 33.50 31.47 3kb1 n PRO 253 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3kb1 n TYR 254 N -0.97 1.24 -3.48 0.54 4.19 -1.26 -4.99 117.16 112.42 3kb1 n TYR 254 Ca 0.10 0.45 -0.28 0.00 3.31 0.00 0.00 57.90 61.48 3kb1 n TYR 254 Cb 0.44 -2.20 -0.13 0.00 0.49 0.00 0.00 39.34 37.94 3kb1 n TYR 254 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3kb1 s LEU 255 N -2.31 0.72 -0.28 2.98 1.02 -1.26 -5.10 118.68 114.45 3kb1 s LEU 255 Ca 0.74 -1.77 -0.25 0.00 0.02 0.00 0.00 54.13 52.87 3kb1 s LEU 255 Cb -0.43 -0.30 -0.11 0.00 0.02 0.00 0.00 46.19 45.37 3kb1 s LEU 255 CO 0.48 -0.36 1.10 1.21 0.02 0.00 0.00 176.35 178.80 3kb1 n GLU 256 N 4.56 0.00 -1.79 1.70 4.07 -1.26 -4.85 120.64 123.08 3kb1 n GLU 256 Ca 0.05 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.06 3kb1 n GLU 256 Cb 0.40 -0.84 0.07 0.00 -0.06 0.00 0.00 31.44 31.01 3kb1 n GLU 256 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 3kb1 n HIS 257 N 3.57 1.44 1.74 4.31 1.44 -1.26 -4.72 115.22 121.72 3kb1 n HIS 257 Ca 0.26 -1.82 0.14 0.00 -2.01 0.00 0.00 57.72 54.29 3kb1 n HIS 257 Cb -0.03 -0.27 0.82 0.00 0.12 0.00 0.00 29.99 30.64 3kb1 n HIS 257 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25