#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 0.12 -1.85 5.15 3.14 -1.26 -4.92 118.33 118.70 3kb1 n VAL 5 Ca 0.00 -0.02 -0.36 0.00 -2.96 0.00 0.00 64.34 61.00 3kb1 n VAL 5 Cb 0.00 -1.39 0.05 0.00 -1.06 0.00 0.00 33.84 31.44 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 1.51 2.51 -1.32 1.55 -4.23 -1.26 -4.88 115.64 109.52 3kb1 s THR 6 Ca 0.84 0.30 0.12 0.00 -1.18 0.00 0.00 61.69 61.77 3kb1 s THR 6 Cb -0.78 -3.05 0.18 0.00 1.34 0.00 0.00 72.50 70.19 3kb1 s THR 6 CO 0.44 -0.09 1.30 0.47 -0.54 0.00 0.00 174.62 176.21 3kb1 n ASP 7 N -1.89 0.00 -0.11 3.99 9.92 -1.26 -1.24 116.55 125.96 3kb1 n ASP 7 Ca 0.14 0.22 0.06 0.00 -0.53 0.00 0.00 54.79 54.67 3kb1 n ASP 7 Cb 0.50 -0.34 -0.04 0.00 -0.64 0.00 0.00 41.12 40.60 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 -1.34 2.72 0.11 -1.24 0.28 -1.26 -4.35 120.64 115.55 3kb1 n GLU 8 Ca 0.05 -0.28 -0.02 0.00 -0.16 0.00 0.00 57.16 56.75 3kb1 n GLU 8 Cb 0.10 -1.08 0.01 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 0.55 0.00 -0.31 -1.84 3.58 -1.52 -3.13 116.42 113.75 3kb1 h ASP 9 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 3kb1 h ASP 9 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3kb1 h ASP 9 CO 0.00 0.72 -0.09 0.40 -2.88 0.00 0.00 179.24 177.39 3kb1 h ILE 10 N 0.00 1.28 -0.90 2.25 1.08 -1.74 -3.23 117.51 116.25 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 1.47 1.38 -0.13 0.00 -3.07 0.00 0.00 36.82 36.47 3kb1 h ILE 10 CO 0.09 0.37 -0.47 0.50 -0.69 0.00 0.00 178.15 177.95 3kb1 h LYS 11 N 0.38 -0.06 0.00 2.37 3.64 -1.76 0.63 116.57 121.78 3kb1 h LYS 11 Ca 0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kb1 h LYS 11 Cb 0.59 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3kb1 h LYS 11 CO 0.03 -0.04 -0.02 0.93 -2.27 0.00 0.00 179.45 178.09 3kb1 h GLU 12 N -0.06 0.00 0.00 1.90 5.08 -1.68 -1.00 114.58 118.82 3kb1 h GLU 12 Ca 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3kb1 h GLU 12 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3kb1 h GLU 12 CO -0.90 0.02 -0.33 -0.09 -1.00 0.00 0.00 179.01 176.71 3kb1 h ARG 13 N 0.00 0.00 0.00 2.33 9.65 0.06 -3.34 114.38 123.08 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 0.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3kb1 h ARG 13 CO 0.00 0.85 0.00 1.28 2.80 0.00 0.00 179.97 184.90 3kb1 n LEU 14 N -4.59 0.00 0.00 3.80 4.77 0.82 -3.06 117.00 118.74 3kb1 n LEU 14 Ca -0.14 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 3kb1 n LEU 14 Cb 0.47 -0.40 0.25 0.00 -2.33 0.00 0.00 43.42 41.40 3kb1 n LEU 14 CO 0.26 -0.12 0.62 0.47 -1.33 0.00 0.00 177.39 177.28 3kb1 n ASP 15 N -1.40 0.00 -0.00 -1.43 9.92 -0.39 -0.95 116.55 122.30 3kb1 n ASP 15 Ca 0.07 0.23 0.08 0.00 -0.53 0.00 0.00 54.79 54.65 3kb1 n ASP 15 Cb 0.21 -0.34 -0.11 0.00 -0.64 0.00 0.00 41.12 40.24 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 -1.34 1.19 -3.11 -1.24 4.76 -1.17 -4.88 118.16 112.37 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 -1.33 -0.07 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.74 4.86 0.26 -0.18 1.09 -0.12 -2.64 121.20 121.73 3kb1 s ILE 17 Ca 0.04 0.42 -0.04 0.00 -1.10 0.00 0.00 60.65 59.96 3kb1 s ILE 17 Cb 0.13 -4.13 0.20 0.00 -1.06 0.00 0.00 42.46 37.60 3kb1 s ILE 17 CO 0.71 -0.43 1.86 1.23 -0.10 0.00 0.00 174.94 178.22 3kb1 h GLY 18 N 9.52 1.14 -5.46 6.18 0.00 -0.81 -3.45 103.07 110.19 3kb1 h GLY 18 Ca -0.26 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.41 3kb1 h GLY 18 CO 0.86 0.52 -0.26 -0.12 0.00 0.00 0.00 176.54 177.55 3kb1 s PHE 19 N -5.61 -0.57 -0.27 5.60 5.36 0.17 -4.35 117.98 118.31 3kb1 s PHE 19 Ca -0.11 1.26 -0.05 0.00 -0.96 0.00 0.00 56.93 57.07 3kb1 s PHE 19 Cb 0.16 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 43.09 3kb1 s PHE 19 CO 0.81 -0.30 0.02 1.03 -1.46 0.00 0.00 175.22 175.32 3kb1 s ARG 20 N 0.95 3.09 -0.08 10.12 0.52 -1.26 -1.69 118.95 130.60 3kb1 s ARG 20 Ca -0.06 -0.84 -0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3kb1 s ARG 20 Cb -0.06 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 3kb1 s ARG 20 CO -0.08 -0.38 -0.06 0.42 0.02 0.00 0.00 175.30 175.22 3kb1 s ILE 21 N 1.45 3.79 -0.08 1.52 1.01 -0.89 -0.74 121.20 127.26 3kb1 s ILE 21 Ca 0.03 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3kb1 s ILE 21 Cb -0.16 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 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 -0.67 2.57 0.01 9.38 0.00 -0.29 -0.20 121.76 132.57 3kb1 s ALA 22 Ca 0.10 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3kb1 s ALA 22 Cb -0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 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 -0.30 3.09 0.00 0.00 1.01 -0.32 0.25 120.40 124.13 3kb1 s VAL 23 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.02 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 0.03 0.40 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 3kb1 n SER 25 N 1.68 0.00 0.09 3.32 3.41 -1.26 -2.95 113.62 117.91 3kb1 n SER 25 Ca -0.16 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.54 3kb1 n SER 25 Cb 0.52 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.89 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 -0.59 105.19 107.21 3kb1 n GLY 26 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.99 0.00 -2.58 1.61 2.85 -1.26 -4.16 118.16 112.62 3kb1 n LYS 27 Ca 0.02 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.05 3kb1 n LYS 27 Cb 0.16 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.62 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 -2.16 1.78 0.00 2.58 0.00 -1.26 -4.23 107.32 104.03 3kb1 s GLY 28 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3kb1 s GLY 28 CO 0.00 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.63 3kb1 n GLY 29 N -2.66 2.44 0.34 0.20 0.00 -1.26 -4.76 105.19 99.49 3kb1 n GLY 29 Ca 0.12 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 0.26 -1.30 1.61 -1.51 -1.94 -3.46 116.25 109.91 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 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 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 -1.31 0.62 0.12 5.19 0.00 -1.26 -4.45 105.19 104.10 3kb1 n GLY 31 Ca 0.01 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 0.33 -0.29 1.61 3.64 -1.90 -3.00 116.57 116.96 3kb1 h LYS 32 Ca 0.00 -0.44 -0.15 0.00 -1.27 0.00 0.00 60.65 58.79 3kb1 h LYS 32 Cb 0.56 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3kb1 h LYS 32 CO 0.00 1.15 -0.43 0.77 -2.27 0.00 0.00 179.45 178.68 3kb1 h SER 33 N -0.29 0.78 -0.34 4.20 0.02 -1.94 -0.61 113.55 115.37 3kb1 h SER 33 Ca -0.10 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 3kb1 h SER 33 Cb 1.44 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3kb1 h SER 33 CO 0.13 1.10 -0.06 0.74 -1.14 0.00 0.00 176.83 177.60 3kb1 h THR 34 N 0.59 1.27 -0.17 -2.27 2.02 -1.95 -1.02 112.91 111.37 3kb1 h THR 34 Ca 0.04 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 3kb1 h THR 34 Cb 0.98 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3kb1 h THR 34 CO 0.09 0.36 0.09 0.58 0.37 0.00 0.00 175.52 177.01 3kb1 h VAL 35 N 0.43 1.10 -0.55 3.16 2.07 -1.46 -1.94 116.25 119.06 3kb1 h VAL 35 Ca 0.09 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.44 3kb1 h VAL 35 Cb 0.54 0.98 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 3kb1 h VAL 35 CO 0.03 0.10 -0.27 0.74 0.02 0.00 0.00 177.57 178.18 3kb1 h THR 36 N 0.17 0.26 -0.60 2.57 2.02 -0.88 -0.05 112.91 116.40 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 0.07 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 66.64 3kb1 h THR 36 CO -0.01 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.96 3kb1 h ALA 37 N 1.16 0.66 0.00 6.16 0.00 -0.68 -0.52 119.26 126.05 3kb1 h ALA 37 Ca 0.24 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 3kb1 h ALA 37 Cb 0.52 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kb1 h ALA 37 CO -0.63 -0.35 -0.26 -0.07 0.00 0.00 0.00 179.25 177.94 3kb1 h LEU 38 N 0.19 0.00 0.00 0.00 4.07 -0.30 0.76 115.31 120.03 3kb1 h LEU 38 Ca 0.32 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.15 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 -0.45 0.26 -0.72 0.25 -1.08 0.00 0.00 178.44 176.70 3kb1 h LEU 39 N 0.00 0.00 0.09 1.67 5.85 -0.20 0.14 115.31 122.86 3kb1 h LEU 39 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 3kb1 h LEU 39 Cb 0.51 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.57 3kb1 h LEU 39 CO 0.03 0.58 -1.20 0.00 -0.34 0.00 0.00 178.44 177.51 3kb1 h ALA 40 N 1.42 0.03 -0.32 1.25 0.00 -0.35 -2.90 119.26 118.38 3kb1 h ALA 40 Ca -0.03 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 54.02 3kb1 h ALA 40 Cb 1.47 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3kb1 h ALA 40 CO 0.07 0.69 -0.24 0.28 0.00 0.00 0.00 179.25 180.05 3kb1 h VAL 41 N 0.31 1.27 0.14 0.00 2.07 -0.85 -1.02 116.25 118.17 3kb1 h VAL 41 Ca -0.18 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3kb1 h VAL 41 Cb 1.87 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3kb1 h VAL 41 CO 0.23 0.43 -0.12 -0.74 0.02 0.00 0.00 177.57 177.39 3kb1 h HIS 42 N 0.55 -0.30 0.00 1.57 6.17 -0.74 -1.58 115.15 120.82 3kb1 h HIS 42 Ca 0.08 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.06 3kb1 h HIS 42 Cb 0.71 0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 3kb1 h HIS 42 CO 0.03 -0.18 -0.47 1.88 0.71 0.00 0.00 177.93 179.90 3kb1 h TYR 43 N -0.27 0.00 0.01 5.26 0.05 -1.41 -3.15 116.97 117.46 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 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3kb1 h TYR 43 CO -0.11 0.47 -0.00 0.00 -1.05 0.00 0.00 178.16 177.46 3kb1 h ALA 44 N 1.53 -0.01 0.00 3.88 0.00 -1.07 -1.83 119.26 121.76 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 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 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 -0.71 0.00 -0.25 0.00 1.57 -1.33 0.36 116.57 116.21 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 -0.04 3.15 6.02 -1.19 -4.90 117.38 119.62 3kb1 n GLN 46 Ca -0.02 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 3kb1 n GLN 46 Cb 0.13 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.13 0.97 3.80 1.08 0.00 0.12 -5.05 105.19 107.25 3kb1 n GLY 47 Ca 0.15 0.00 -0.33 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 -0.66 3.52 -0.33 1.61 1.02 -0.69 -5.00 119.74 119.20 3kb1 s LYS 48 Ca 0.00 1.31 -0.21 0.00 0.02 0.00 0.00 55.97 57.10 3kb1 s LYS 48 Cb 0.00 -2.05 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3kb1 s LYS 48 CO 0.00 -0.66 0.66 0.15 -0.92 0.00 0.00 175.35 174.57 3kb1 s LYS 49 N -3.64 3.81 0.10 1.68 1.02 -1.26 -4.15 119.74 117.30 3kb1 s LYS 49 Ca 0.66 0.23 0.06 0.00 0.02 0.00 0.00 55.97 56.94 3kb1 s LYS 49 Cb -0.17 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 3kb1 s LYS 49 CO 0.29 -0.67 -0.04 0.08 -0.92 0.00 0.00 175.35 174.09 3kb1 s VAL 50 N 2.72 3.77 -0.01 3.17 1.01 -1.26 -1.48 120.40 128.32 3kb1 s VAL 50 Ca 0.26 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3kb1 s VAL 50 Cb -0.15 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3kb1 s VAL 50 CO 0.13 0.11 -0.04 -0.83 0.00 0.00 0.00 175.10 174.47 3kb1 s GLY 51 N -2.30 0.22 -0.07 4.51 0.00 0.91 -2.63 107.32 107.97 3kb1 s GLY 51 Ca 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.86 3kb1 s GLY 51 CO 0.17 -0.05 -0.20 -0.42 0.00 0.00 0.00 173.10 172.60 3kb1 s ILE 52 N 0.06 2.50 -0.62 0.90 1.01 0.89 0.75 121.20 126.69 3kb1 s ILE 52 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3kb1 s ILE 52 Cb -0.03 -1.96 0.16 0.00 0.01 0.00 0.00 42.46 40.63 3kb1 s ILE 52 CO -0.00 0.57 0.41 -0.22 0.00 0.00 0.00 174.94 175.69 3kb1 s LEU 53 N -0.19 4.77 -0.51 2.97 0.20 0.51 -4.32 118.68 122.12 3kb1 s LEU 53 Ca -0.02 -3.23 -0.27 0.00 0.69 0.00 0.00 54.13 51.30 3kb1 s LEU 53 Cb -0.14 -1.72 -0.08 0.00 -0.43 0.00 0.00 46.19 43.82 3kb1 s LEU 53 CO 0.03 -0.23 2.42 -0.67 -0.29 0.00 0.00 176.35 177.62 3kb1 n ASP 54 N 2.87 2.23 -1.60 3.68 2.03 -1.26 -2.86 116.55 121.64 3kb1 n ASP 54 Ca 0.10 -0.38 0.05 0.00 0.52 0.00 0.00 54.79 55.08 3kb1 n ASP 54 Cb 0.35 -1.53 0.34 0.00 -0.72 0.00 0.00 41.12 39.56 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 15.05 3.79 -3.49 -1.67 0.00 -0.14 -4.45 120.51 129.60 3kb1 n ALA 55 Ca 0.39 -2.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.25 3kb1 n ALA 55 Cb 0.49 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.23 6.33 0.20 0.00 3.68 -0.97 -3.01 116.67 121.68 3kb1 s ASP 56 Ca 0.51 -3.14 -0.06 0.00 2.13 0.00 0.00 52.55 51.99 3kb1 s ASP 56 Cb 0.40 -2.06 0.15 0.00 -1.45 0.00 0.00 42.92 39.97 3kb1 s ASP 56 CO 0.13 -0.38 1.63 -0.26 0.13 0.00 0.00 175.17 176.41 3kb1 h PHE 57 N 6.99 0.96 0.06 -5.34 -1.00 -1.91 -2.79 116.94 113.90 3kb1 h PHE 57 Ca 0.10 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.70 3kb1 h PHE 57 Cb 0.94 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 40.22 3kb1 h PHE 57 CO 0.84 0.96 -0.33 -0.07 -1.61 0.00 0.00 178.31 178.09 3kb1 h LEU 58 N 0.75 -0.97 -6.30 1.54 3.38 -2.01 -3.38 115.31 108.31 3kb1 h LEU 58 Ca 0.11 0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.68 3kb1 h LEU 58 Cb 0.71 0.38 -0.35 0.00 0.09 0.00 0.00 40.66 41.48 3kb1 h LEU 58 CO 0.05 -0.40 -0.87 -0.83 0.09 0.00 0.00 178.44 176.49 3kb1 s GLY 59 N -2.47 0.73 -0.54 0.83 0.00 -1.23 -5.10 107.32 99.55 3kb1 s GLY 59 Ca -0.16 -1.93 -0.27 0.00 0.00 0.00 0.00 44.72 42.36 3kb1 s GLY 59 CO 0.65 2.33 1.71 2.56 0.00 0.00 0.00 173.10 180.35 3kb1 s PRO 60 N 0.58 2.99 0.00 2.90 0.04 -1.05 -4.81 135.00 135.65 3kb1 s PRO 60 Ca 0.27 0.73 0.10 0.00 0.04 0.00 0.00 61.00 62.14 3kb1 s PRO 60 Cb -0.06 -4.27 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 3kb1 s PRO 60 CO -0.11 -2.30 0.62 -1.13 0.04 0.00 0.00 177.00 174.12 3kb1 n SER 61 N 11.23 1.19 0.13 6.66 3.41 -1.26 -4.64 113.62 130.34 3kb1 n SER 61 Ca 0.18 -1.10 -0.14 0.00 -0.26 0.00 0.00 58.87 57.56 3kb1 n SER 61 Cb 0.50 0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 64.83 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 1.08 0.84 -0.56 -1.33 1.08 -1.90 -2.25 117.51 114.46 3kb1 h ILE 62 Ca 0.00 -0.35 0.10 0.00 -0.39 0.00 0.00 64.86 64.21 3kb1 h ILE 62 Cb 0.32 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3kb1 h ILE 62 CO 0.00 0.08 0.38 1.55 -0.69 0.00 0.00 178.15 179.47 3kb1 h PRO 63 N -0.48 0.35 0.00 2.37 0.13 -1.91 -1.69 132.00 130.78 3kb1 h PRO 63 Ca -0.03 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 3kb1 h PRO 63 Cb 0.36 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 3kb1 h PRO 63 CO 0.05 0.23 -0.19 1.25 -0.23 0.00 0.00 178.00 179.11 3kb1 h HIS 64 N 0.36 0.00 0.00 1.56 -0.00 -1.79 0.23 115.15 115.52 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 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 3kb1 h HIS 64 CO -0.00 0.19 -0.47 -0.07 -0.00 0.00 0.00 177.93 177.58 3kb1 h LEU 65 N 0.00 0.00 -3.29 0.26 3.38 -0.70 -3.24 115.31 111.71 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 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3kb1 h LEU 65 CO 0.02 0.47 0.00 0.49 0.09 0.00 0.00 178.44 179.52 3kb1 n PHE 66 N -3.46 1.02 -3.73 1.13 3.72 -1.19 -2.32 117.46 112.64 3kb1 n PHE 66 Ca 0.00 -1.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.12 3kb1 n PHE 66 Cb 0.60 -0.36 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 -0.60 -0.50 2.27 1.37 0.00 -1.08 -4.78 105.19 101.87 3kb1 n GLY 67 Ca 0.24 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.50 7.33 0.00 0.99 4.32 0.80 -4.53 117.00 121.41 3kb1 n LEU 68 Ca 0.02 -4.15 0.06 0.00 -0.02 0.00 0.00 56.01 51.92 3kb1 n LEU 68 Cb 0.54 -0.92 0.28 0.00 -1.62 0.00 0.00 43.42 41.70 3kb1 n LEU 68 CO 0.69 1.40 0.69 1.21 -1.22 0.00 0.00 177.39 180.15 3kb1 n GLU 69 N -0.97 0.05 -0.84 3.23 4.07 -1.26 -3.22 120.64 121.71 3kb1 n GLU 69 Ca 0.61 0.25 -0.08 0.00 -0.06 0.00 0.00 57.16 57.88 3kb1 n GLU 69 Cb 0.90 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.66 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 1.67 -1.52 5.31 2.85 -1.26 -4.91 118.16 118.86 3kb1 n LYS 70 Ca 0.04 -0.70 -0.52 0.00 -1.05 0.00 0.00 58.31 56.08 3kb1 n LYS 70 Cb 0.13 -1.71 -0.07 0.00 -0.65 0.00 0.00 35.03 32.73 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 2.23 0.65 3.15 2.58 0.00 -1.20 -4.87 105.19 107.73 3kb1 n GLY 71 Ca 0.30 0.93 0.05 0.00 0.00 0.00 0.00 46.02 47.30 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 5.41 0.42 -0.20 1.61 2.20 -1.26 -4.88 119.74 123.04 3kb1 s LYS 72 Ca 1.06 0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 57.15 3kb1 s LYS 72 Cb -0.91 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 35.74 3kb1 s LYS 72 CO 0.54 -0.54 0.53 0.08 -0.36 0.00 0.00 175.35 175.59 3kb1 s VAL 73 N 2.89 5.10 0.13 4.02 1.01 -1.26 -4.78 120.40 127.50 3kb1 s VAL 73 Ca 0.14 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3kb1 s VAL 73 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3kb1 s VAL 73 CO -0.19 0.17 0.12 0.00 0.00 0.00 0.00 175.10 175.20 3kb1 s ALA 74 N 1.70 3.60 -0.09 5.51 0.00 -1.25 -4.95 121.76 126.27 3kb1 s ALA 74 Ca 0.24 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3kb1 s ALA 74 Cb -0.15 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3kb1 s ALA 74 CO 0.10 0.61 -0.22 0.54 0.00 0.00 0.00 175.76 176.79 3kb1 s VAL 75 N -1.60 1.93 0.09 0.00 0.11 -1.26 0.57 120.40 120.25 3kb1 s VAL 75 Ca 0.31 -0.95 0.00 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 3.52 1.54 -0.11 3.54 3.41 0.61 -4.95 113.62 121.18 3kb1 n SER 76 Ca -0.19 -1.46 -0.05 0.00 -0.26 0.00 0.00 58.87 56.90 3kb1 n SER 76 Cb 0.53 0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.31 -0.41 -0.39 4.04 3.32 -2.02 0.33 116.42 121.60 3kb1 h ASP 77 Ca -0.08 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.21 3kb1 h ASP 77 Cb 0.26 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3kb1 h ASP 77 CO 0.12 -0.15 0.33 -0.33 -1.72 0.00 0.00 179.24 177.50 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 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3kb1 h GLU 78 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3kb1 h GLU 78 CO -0.41 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.85 3kb1 n GLY 79 N -1.54 0.27 3.61 -3.84 0.00 0.11 -4.33 105.19 99.47 3kb1 n GLY 79 Ca 0.06 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 3.73 -0.11 0.99 1.02 -0.95 -0.28 118.68 123.08 3kb1 s LEU 80 Ca 0.00 0.82 -0.29 0.00 0.02 0.00 0.00 54.13 54.68 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 -1.70 118.70 128.05 3kb1 s GLU 81 Ca 0.53 1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 56.71 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 0.00 175.26 174.10 3kb1 s PRO 82 N 3.74 4.61 0.29 0.39 0.04 -1.26 -3.84 135.00 138.98 3kb1 s PRO 82 Ca 0.64 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 3kb1 s PRO 82 Cb -0.27 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 30.86 3kb1 s PRO 82 CO 0.22 0.08 1.32 0.14 0.04 0.00 0.00 177.00 178.81 3kb1 s VAL 83 N -0.10 2.81 -0.03 -0.36 -7.23 -1.15 -4.58 120.40 109.77 3kb1 s VAL 83 Ca 0.49 0.76 -0.06 0.00 -1.81 0.00 0.00 61.98 61.37 3kb1 s VAL 83 Cb -0.28 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 3kb1 s VAL 83 CO 0.33 0.16 0.21 -0.76 -0.31 0.00 0.00 175.10 174.74 3kb1 s LEU 84 N -1.23 4.38 0.29 1.32 1.43 -1.26 -0.99 118.68 122.62 3kb1 s LEU 84 Ca 0.52 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.81 3kb1 s LEU 84 Cb -0.39 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.22 3kb1 s LEU 84 CO 0.48 0.30 1.10 0.42 0.23 0.00 0.00 176.35 178.88 3kb1 s THR 85 N -1.24 3.48 0.06 5.49 -4.23 -0.80 -4.86 115.64 113.54 3kb1 s THR 85 Ca 0.24 1.45 -0.36 0.00 -1.18 0.00 0.00 61.69 61.85 3kb1 s THR 85 Cb -0.13 -3.91 -0.19 0.00 1.34 0.00 0.00 72.50 69.61 3kb1 s THR 85 CO 0.14 0.32 1.54 1.56 -0.54 0.00 0.00 174.62 177.64 3kb1 h GLN 86 N 3.67 -1.21 0.19 3.99 4.20 -1.93 0.69 115.11 124.71 3kb1 h GLN 86 Ca -0.47 0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 3kb1 h GLN 86 Cb 1.21 0.27 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 3kb1 h GLN 86 CO 0.66 -0.80 -0.19 -0.09 -0.67 0.00 0.00 178.83 177.74 3kb1 h ARG 87 N -1.25 -0.36 0.00 1.46 2.43 -1.96 -3.34 114.38 111.35 3kb1 h ARG 87 Ca -0.12 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3kb1 h ARG 87 Cb 0.97 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3kb1 h ARG 87 CO 0.18 -0.24 -0.83 1.28 -1.51 0.00 0.00 179.97 178.85 3kb1 n LEU 88 N -3.47 0.68 -2.12 3.80 4.77 -1.26 -5.01 117.00 114.40 3kb1 n LEU 88 Ca -0.04 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 3kb1 n LEU 88 Cb 0.17 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3kb1 n LEU 88 CO 0.10 0.14 0.10 0.61 -1.33 0.00 0.00 177.39 177.01 3kb1 n GLY 89 N 1.46 0.14 3.74 -0.72 0.00 0.23 -4.98 105.19 105.07 3kb1 n GLY 89 Ca 0.04 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 5.05 -0.00 -0.61 1.01 -1.26 -4.67 121.20 117.56 3kb1 s ILE 90 Ca 0.20 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 3kb1 s ILE 90 Cb -0.09 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3kb1 s ILE 90 CO 0.37 0.36 1.24 -0.54 0.00 0.00 0.00 174.94 176.37 3kb1 s LYS 91 N 0.25 4.37 0.36 2.79 1.02 -1.08 -1.91 119.74 125.53 3kb1 s LYS 91 Ca 0.30 1.77 0.02 0.00 0.02 0.00 0.00 55.97 58.08 3kb1 s LYS 91 Cb -0.17 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3kb1 s LYS 91 CO 0.14 -0.41 0.07 0.28 -0.92 0.00 0.00 175.35 174.51 3kb1 n VAL 92 N 4.37 0.00 0.00 3.17 0.31 -0.16 -0.08 118.33 125.95 3kb1 n VAL 92 Ca 0.11 -1.91 0.00 0.00 -0.01 0.00 0.00 64.34 62.52 3kb1 n VAL 92 Cb 0.46 0.56 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 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 -1.46 0.00 0.00 4.52 2.88 -1.26 -2.95 113.62 115.34 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 0.50 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.24 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 -1.50 0.55 0.03 2.46 -5.35 -1.26 -1.69 119.36 112.60 3kb1 n ILE 95 Ca 0.00 0.14 -0.01 0.00 -0.27 0.00 0.00 62.75 62.61 3kb1 n ILE 95 Cb 0.00 -0.96 0.28 0.00 -1.74 0.00 0.00 39.64 37.22 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 0.44 -0.91 6.28 1.08 -1.98 -2.35 115.11 117.68 3kb1 h GLN 96 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3kb1 h GLN 96 Cb 0.07 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3kb1 h GLN 96 CO 0.00 0.56 0.00 1.19 -0.95 0.00 0.00 178.83 179.63 3kb1 n PHE 97 N -4.22 0.00 -3.30 2.96 3.72 -0.68 -4.10 117.46 111.84 3kb1 n PHE 97 Ca 0.00 -0.11 -0.23 0.00 -0.05 0.00 0.00 57.45 57.07 3kb1 n PHE 97 Cb 0.31 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.75 -1.27 4.37 2.01 -0.89 -4.14 118.68 119.52 3kb1 s LEU 98 Ca 0.00 -2.61 -0.11 0.00 0.01 0.00 0.00 54.13 51.42 3kb1 s LEU 98 Cb 0.00 0.04 0.16 0.00 0.01 0.00 0.00 46.19 46.39 3kb1 s LEU 98 CO 0.00 -0.18 1.74 -0.11 1.01 0.00 0.00 176.35 178.81 3kb1 n LEU 99 N 3.14 6.10 0.00 1.79 -0.00 -1.26 -5.03 117.00 121.75 3kb1 n LEU 99 Ca 0.24 -4.53 0.00 0.00 -0.00 0.00 0.00 56.01 51.72 3kb1 n LEU 99 Cb 0.48 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 3kb1 n LEU 99 CO 0.07 1.09 0.00 0.18 -0.00 0.00 0.00 177.39 178.74 3kb1 n LEU 112 N 4.77 0.00 0.27 -1.96 7.99 -1.26 -5.18 117.00 121.62 3kb1 n LEU 112 Ca 0.40 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 0.88 0.00 -0.11 0.00 0.00 43.42 44.58 3kb1 n LEU 112 CO 0.75 0.00 1.13 0.16 -1.51 0.00 0.00 177.39 177.93 3kb1 h ILE 113 N 0.00 0.52 -0.06 -0.08 -0.00 -2.05 -1.66 117.51 114.17 3kb1 h ILE 113 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3kb1 h ILE 113 Cb 0.00 0.95 -0.00 0.00 -0.00 0.00 0.00 36.82 37.76 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 1.92 1.91 -0.69 0.16 0.00 -1.98 -3.06 119.26 117.53 3kb1 h ALA 114 Ca 0.03 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3kb1 h ALA 114 Cb 0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 3kb1 h ALA 114 CO -0.00 0.07 0.62 0.41 0.00 0.00 0.00 179.25 180.35 3kb1 n GLY 115 N -1.46 4.79 0.05 0.00 0.00 -0.63 -3.87 105.19 104.08 3kb1 n GLY 115 Ca -0.02 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.12 0.00 0.12 -0.61 -0.00 -1.16 -1.63 119.36 116.20 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 0.52 0.00 0.34 0.00 -0.00 0.00 0.00 39.64 40.51 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 0.22 -0.02 0.38 3.08 -1.85 -1.59 114.38 114.60 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 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kb1 h ARG 118 CO 0.00 0.44 -0.55 1.49 -1.07 0.00 0.00 179.97 180.28 3kb1 h GLU 119 N 0.21 0.41 0.00 0.04 4.57 -1.66 -2.02 114.58 116.13 3kb1 h GLU 119 Ca 0.04 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3kb1 h GLU 119 Cb 0.51 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3kb1 h GLU 119 CO 0.03 1.07 -0.01 0.74 -1.18 0.00 0.00 179.01 179.67 3kb1 h PHE 120 N -0.09 0.00 0.00 0.92 0.04 -1.77 0.59 116.94 116.63 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 -1.09 1.28 -0.60 0.00 0.00 178.31 178.05 3kb1 n LEU 121 N -3.62 0.61 -0.01 1.54 4.77 -0.63 -4.20 117.00 115.46 3kb1 n LEU 121 Ca -0.03 0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3kb1 n LEU 121 Cb 0.09 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3kb1 n LEU 121 CO 0.26 -0.03 -0.55 0.61 -1.33 0.00 0.00 177.39 176.35 3kb1 n GLY 122 N 1.31 -0.04 0.13 -0.72 0.00 -0.40 -4.64 105.19 100.83 3kb1 n GLY 122 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -7.05 1.61 2.47 -0.11 -3.47 114.38 108.12 3kb1 h ARG 123 Ca -0.04 -0.49 -0.55 0.00 -1.26 0.00 0.00 59.98 57.64 3kb1 h ARG 123 Cb 1.07 0.18 0.15 0.00 -1.65 0.00 0.00 29.97 29.71 3kb1 h ARG 123 CO -0.00 1.23 0.58 0.28 0.56 0.00 0.00 179.97 182.63 3kb1 n VAL 124 N -3.76 4.06 -3.38 2.04 0.31 -1.19 -2.23 118.33 114.18 3kb1 n VAL 124 Ca -0.27 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.13 3kb1 n VAL 124 Cb 0.97 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 32.26 3kb1 n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kb1 s ALA 125 N -1.31 4.66 -1.27 3.52 0.00 -0.69 -4.77 121.76 121.91 3kb1 s ALA 125 Ca 0.74 -3.83 0.20 0.00 0.00 0.00 0.00 51.96 49.06 3kb1 s ALA 125 Cb -0.41 -3.47 0.94 0.00 0.00 0.00 0.00 23.12 20.17 3kb1 s ALA 125 CO 0.47 -2.20 1.62 0.91 0.00 0.00 0.00 175.76 176.57 3kb1 n TRP 126 N 2.69 0.00 -3.73 0.00 7.02 -1.26 -4.61 117.44 117.55 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 0.44 1.77 3.30 6.99 0.00 -1.26 -4.13 105.19 112.29 3kb1 n GLY 127 Ca 0.08 -0.47 -0.40 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 2.67 0.07 1.61 2.02 -1.26 -4.62 118.70 119.19 3kb1 s GLU 128 Ca 0.00 -1.32 0.05 0.00 0.02 0.00 0.00 54.97 53.72 3kb1 s GLU 128 Cb 0.00 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 3kb1 s GLU 128 CO 0.00 -0.85 -0.14 -0.48 0.02 0.00 0.00 175.26 173.81 3kb1 s LEU 129 N 1.46 2.29 0.01 1.80 0.05 -1.08 -4.95 118.68 118.27 3kb1 s LEU 129 Ca 0.02 -0.63 -0.20 0.00 0.05 0.00 0.00 54.13 53.36 3kb1 s LEU 129 Cb -0.22 -0.50 -0.19 0.00 -2.05 0.00 0.00 46.19 43.24 3kb1 s LEU 129 CO 0.04 -0.09 1.20 0.44 -0.55 0.00 0.00 176.35 177.38 3kb1 h ASP 130 N 4.22 0.44 -4.29 1.48 5.19 -1.50 -1.99 116.42 119.97 3kb1 h ASP 130 Ca -0.40 -0.64 -0.58 0.00 -0.62 0.00 0.00 57.03 54.78 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 -3.67 1.81 -0.28 4.55 1.51 -0.97 0.43 117.35 120.73 3kb1 s TYR 131 Ca -0.14 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.54 3kb1 s TYR 131 Cb 0.04 -1.08 0.09 0.00 -0.11 0.00 0.00 41.96 40.89 3kb1 s TYR 131 CO 0.78 0.09 0.05 -1.17 -1.11 0.00 0.00 175.55 174.19 3kb1 s LEU 132 N -1.16 2.48 0.02 -1.29 2.96 -0.68 -0.06 118.68 120.95 3kb1 s LEU 132 Ca 0.07 -1.50 -0.23 0.00 -0.22 0.00 0.00 54.13 52.25 3kb1 s LEU 132 Cb -0.09 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 3kb1 s LEU 132 CO 0.02 -0.36 0.70 -0.76 -1.32 0.00 0.00 176.35 174.63 3kb1 s LEU 133 N 1.52 4.43 -0.19 -0.68 1.02 0.23 -2.10 118.68 122.90 3kb1 s LEU 133 Ca 0.05 1.34 -0.03 0.00 0.02 0.00 0.00 54.13 55.51 3kb1 s LEU 133 Cb -0.18 -3.12 -0.01 0.00 0.02 0.00 0.00 46.19 42.90 3kb1 s LEU 133 CO -0.17 0.04 -0.05 -0.63 0.02 0.00 0.00 176.35 175.56 3kb1 s ILE 134 N -0.07 3.45 -0.95 -0.59 1.01 0.72 -0.36 121.20 124.42 3kb1 s ILE 134 Ca 0.36 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 3kb1 s ILE 134 Cb -0.20 -2.54 0.18 0.00 0.01 0.00 0.00 42.46 39.92 3kb1 s ILE 134 CO 0.21 0.45 1.03 -0.62 0.00 0.00 0.00 174.94 176.01 3kb1 s ASP 135 N 1.09 6.81 0.90 3.58 2.15 -1.14 -1.18 116.67 128.88 3kb1 s ASP 135 Ca 0.01 -2.56 -0.11 0.00 0.43 0.00 0.00 52.55 50.32 3kb1 s ASP 135 Cb -0.15 -2.31 0.14 0.00 -0.30 0.00 0.00 42.92 40.30 3kb1 s ASP 135 CO -0.00 -0.76 1.12 -0.76 -0.17 0.00 0.00 175.17 174.59 3kb1 s LEU 136 N 1.21 2.63 0.82 -1.34 1.43 -1.15 -0.96 118.68 121.31 3kb1 s LEU 136 Ca 0.28 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 3kb1 s LEU 136 Cb -0.07 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 41.86 3kb1 s LEU 136 CO -0.08 -2.91 1.09 -2.16 0.23 0.00 0.00 176.35 172.53 3kb1 s PRO 137 N -4.72 1.85 0.80 1.29 0.04 -1.16 -4.51 135.00 128.58 3kb1 s PRO 137 Ca 0.65 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 3kb1 s PRO 137 Cb -0.21 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.54 3kb1 s PRO 137 CO 0.58 -1.88 1.12 -1.25 0.04 0.00 0.00 177.00 175.61 3kb1 s PRO 138 N -4.93 1.96 0.00 0.56 0.04 -1.26 -4.62 135.00 126.74 3kb1 s PRO 138 Ca 0.62 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3kb1 s PRO 138 Cb -0.17 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3kb1 s PRO 138 CO 0.56 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 176.12 3kb1 n GLY 139 N -0.63 -0.24 0.19 0.56 0.00 0.24 -4.74 105.19 100.57 3kb1 n GLY 139 Ca 0.10 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.25 1.70 0.00 2.61 -2.24 -1.25 -4.34 114.28 110.50 3kb1 n THR 140 Ca 0.00 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.90 3kb1 n THR 140 Cb 0.00 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.02 -0.64 0.12 3.38 0.00 -1.26 -4.90 105.19 100.87 3kb1 n GLY 141 Ca 0.13 -1.39 -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 0.57 -0.65 1.61 3.32 -1.97 -3.24 116.42 116.06 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 -0.68 0.00 3.45 0.00 -1.94 0.45 119.26 121.01 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 0.00 -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 0.24 -0.84 1.53 7.12 -0.24 -3.31 115.31 119.82 3kb1 h LEU 145 Ca 0.00 -0.82 0.10 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 1.04 0.48 0.74 -0.13 0.00 0.00 178.44 180.57 3kb1 h THR 146 N -0.52 0.90 0.00 1.05 2.02 -0.85 -2.30 112.91 113.21 3kb1 h THR 146 Ca -0.04 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3kb1 h THR 146 Cb 1.10 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3kb1 h THR 146 CO 0.06 0.15 0.00 0.52 0.37 0.00 0.00 175.52 176.62 3kb1 n VAL 147 N -4.74 0.02 0.00 3.16 0.31 -1.25 -2.82 118.33 113.01 3kb1 n VAL 147 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3kb1 n VAL 147 Cb 0.29 -0.46 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 0.93 0.00 0.07 5.55 -0.06 -0.87 -1.26 117.38 121.75 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 0.01 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.06 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 0.21 0.00 1.69 3.32 -1.83 -3.38 116.42 116.43 3kb1 h ASP 150 Ca 0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3kb1 h ASP 150 Cb 0.00 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3kb1 h ASP 150 CO 0.00 1.20 -0.17 0.00 -1.72 0.00 0.00 179.24 178.56 3kb1 h ALA 151 N 0.76 0.03 -5.75 3.45 0.00 -1.46 -3.50 119.26 112.81 3kb1 h ALA 151 Ca -0.12 -0.51 -0.33 0.00 0.00 0.00 0.00 54.91 53.95 3kb1 h ALA 151 Cb 1.91 0.11 0.15 0.00 0.00 0.00 0.00 17.79 19.95 3kb1 h ALA 151 CO 0.16 0.10 -0.86 1.63 0.00 0.00 0.00 179.25 180.27 3kb1 n LYS 152 N -4.61 -2.93 -0.85 0.00 5.02 -1.26 -4.95 118.16 108.57 3kb1 n LYS 152 Ca -0.11 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 3kb1 n LYS 152 Cb 0.43 -5.34 0.14 0.00 -0.02 0.00 0.00 35.03 30.23 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 -3.71 -0.21 0.12 1.97 -0.04 -1.26 -4.93 135.00 126.93 3kb1 n PRO 153 Ca -0.14 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 3kb1 n PRO 153 Cb 0.63 -2.25 0.04 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 -1.47 0.00 -5.00 3.54 4.21 -1.27 -3.38 115.58 112.21 3kb1 h ASN 154 Ca -0.44 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 56.99 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 0.01 0.10 -0.83 -1.29 0.00 0.00 177.43 175.83 3kb1 s GLY 155 N -4.29 -0.49 0.05 2.83 0.00 -1.05 -2.59 107.32 101.77 3kb1 s GLY 155 Ca 0.01 0.97 0.02 0.00 0.00 0.00 0.00 44.72 45.72 3kb1 s GLY 155 CO 0.77 0.64 -0.06 0.00 0.00 0.00 0.00 173.10 174.45 3kb1 s ALA 156 N -1.68 0.56 -0.11 3.20 0.00 0.48 -1.13 121.76 123.07 3kb1 s ALA 156 Ca -0.09 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3kb1 s ALA 156 Cb -0.01 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3kb1 s ALA 156 CO 0.05 -0.10 -0.23 0.08 0.00 0.00 0.00 175.76 175.56 3kb1 s VAL 157 N -1.93 2.09 -0.20 0.00 1.01 0.14 -0.27 120.40 121.25 3kb1 s VAL 157 Ca -0.06 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 3kb1 s VAL 157 Cb -0.06 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3kb1 s VAL 157 CO -0.01 0.56 0.58 -0.63 0.00 0.00 0.00 175.10 175.59 3kb1 s ILE 158 N 0.48 5.06 -0.15 2.22 1.09 -0.68 -4.37 121.20 124.84 3kb1 s ILE 158 Ca -0.15 1.08 0.01 0.00 -1.10 0.00 0.00 60.65 60.49 3kb1 s ILE 158 Cb -0.17 -3.90 -0.00 0.00 -1.06 0.00 0.00 42.46 37.33 3kb1 s ILE 158 CO 0.06 0.14 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.18 3kb1 s VAL 159 N 1.79 2.57 0.01 2.92 1.01 -1.26 -0.35 120.40 127.09 3kb1 s VAL 159 Ca 0.27 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 3kb1 s VAL 159 Cb -0.16 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.25 3kb1 s VAL 159 CO 0.10 0.52 0.81 -0.44 0.00 0.00 0.00 175.10 176.09 3kb1 s SER 160 N 0.79 -0.45 0.60 3.32 0.01 -0.82 -3.99 113.70 113.16 3kb1 s SER 160 Ca -0.06 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.18 3kb1 s SER 160 Cb -0.15 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 3kb1 s SER 160 CO 0.00 -0.67 1.05 0.42 0.41 0.00 0.00 173.24 174.44 3kb1 s THR 161 N -2.82 3.98 0.11 1.44 -4.23 -1.26 -1.91 115.64 110.96 3kb1 s THR 161 Ca 0.01 0.88 -0.24 0.00 -1.18 0.00 0.00 61.69 61.16 3kb1 s THR 161 Cb -0.01 -3.45 -0.09 0.00 1.34 0.00 0.00 72.50 70.29 3kb1 s THR 161 CO -0.07 -0.61 1.68 -0.65 -0.54 0.00 0.00 174.62 174.43 3kb1 h PRO 162 N 0.31 -0.26 0.00 3.99 0.11 -1.89 -1.58 132.00 132.68 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 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kb1 h PRO 162 CO 0.58 -0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 3kb1 n GLN 163 N -5.27 0.13 -3.18 1.05 10.64 -1.25 -3.38 117.38 116.12 3kb1 n GLN 163 Ca -0.06 0.08 -0.20 0.00 -1.83 0.00 0.00 57.00 54.99 3kb1 n GLN 163 Cb 0.19 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.01 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 -1.09 0.36 -2.71 2.61 2.13 -0.60 -4.95 120.64 116.39 3kb1 n GLU 164 Ca 0.03 -2.83 -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 30.23 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 -4.63 4.31 7.94 -1.22 -3.99 117.00 123.01 3kb1 n LEU 165 Ca 0.25 -3.48 -0.36 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 44.93 3kb1 n LEU 165 CO 0.06 1.47 0.59 0.35 -1.11 0.00 0.00 177.39 178.75 3kb1 n THR 166 N -0.33 2.98 0.24 1.96 -2.24 -1.26 -4.83 114.28 110.79 3kb1 n THR 166 Ca 0.06 -0.37 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3kb1 n THR 166 Cb 0.82 -1.15 0.57 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.21 1.19 0.68 6.98 0.00 -1.98 -2.06 119.26 123.85 3kb1 h ALA 167 Ca -0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 3kb1 h ALA 167 Cb 1.33 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3kb1 h ALA 167 CO 0.47 0.25 -0.33 0.00 0.00 0.00 0.00 179.25 179.65 3kb1 h ALA 168 N 1.80 -0.91 -0.64 0.00 0.00 -1.99 -1.94 119.26 115.58 3kb1 h ALA 168 Ca -0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.82 3kb1 h ALA 168 Cb 0.54 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 3kb1 h ALA 168 CO 0.03 -0.86 0.19 0.28 0.00 0.00 0.00 179.25 178.89 3kb1 h VAL 169 N -1.23 0.67 -0.04 0.00 2.07 -1.90 0.48 116.25 116.31 3kb1 h VAL 169 Ca -0.09 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kb1 h VAL 169 Cb 0.71 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3kb1 h VAL 169 CO 0.15 0.06 0.03 0.58 0.02 0.00 0.00 177.57 178.42 3kb1 h VAL 170 N 0.33 0.79 0.00 2.57 2.07 -1.38 -1.11 116.25 119.52 3kb1 h VAL 170 Ca 0.34 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.64 3kb1 h VAL 170 Cb 0.49 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3kb1 h VAL 170 CO -0.38 0.00 -1.28 -0.33 0.02 0.00 0.00 177.57 175.60 3kb1 h GLU 171 N 0.00 0.00 0.00 1.57 5.08 0.62 -2.91 114.58 118.94 3kb1 h GLU 171 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3kb1 h GLU 171 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kb1 h GLU 171 CO -0.00 0.62 -0.11 0.87 -1.00 0.00 0.00 179.01 179.38 3kb1 h LYS 172 N 0.00 0.00 0.01 2.33 1.57 0.56 -0.38 116.57 120.67 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 1.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.09 3kb1 h LYS 172 CO 0.09 0.11 -0.00 0.00 -0.57 0.00 0.00 179.45 179.08 3kb1 h ALA 173 N 1.89 -0.01 -0.00 3.86 0.00 -1.42 -3.19 119.26 120.38 3kb1 h ALA 173 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kb1 h ALA 173 Cb 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kb1 h ALA 173 CO 0.01 -0.06 0.00 0.82 0.00 0.00 0.00 179.25 180.03 3kb1 h ILE 174 N -0.92 0.50 0.00 0.00 1.08 -1.26 -2.03 117.51 114.89 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 0.82 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 3kb1 h ILE 174 CO 0.00 0.00 0.00 0.41 -0.69 0.00 0.00 178.15 177.87 3kb1 n THR 175 N -3.82 0.00 0.00 -0.27 -1.04 -0.18 -3.61 114.28 105.35 3kb1 n THR 175 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3kb1 n THR 175 Cb 0.08 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 -0.16 0.00 0.04 2.41 0.00 -0.76 -3.43 120.51 118.60 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 0.06 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 0.31 0.00 0.00 4.39 -1.84 0.91 114.58 118.36 3kb1 h GLU 178 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3kb1 h GLU 178 Cb 0.00 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 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 -3.71 0.06 0.00 2.33 7.27 -1.22 -2.06 117.38 120.05 3kb1 n GLN 179 Ca -0.26 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3kb1 n GLN 179 Cb 1.00 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 32.15 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 -1.40 0.00 -3.50 1.69 -2.24 -1.25 -4.94 114.28 102.63 3kb1 n THR 180 Ca 0.03 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 3kb1 n THR 180 Cb 0.09 1.69 0.02 0.00 -2.10 0.00 0.00 70.33 70.02 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 -4.10 -0.78 4.81 -0.12 -4.77 118.16 111.83 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 -4.09 -0.16 0.00 0.02 0.00 0.00 35.03 30.97 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 -3.15 1.58 0.26 3.15 -1.32 0.30 -4.86 115.64 111.60 3kb1 s THR 182 Ca 0.16 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 3kb1 s THR 182 Cb -0.06 -1.47 -0.11 0.00 -1.51 0.00 0.00 72.50 69.35 3kb1 s THR 182 CO 0.83 0.46 1.58 0.00 -2.21 0.00 0.00 174.62 175.28 3kb1 s ALA 183 N 1.40 3.75 -0.65 11.08 0.00 -1.07 -4.67 121.76 131.61 3kb1 s ALA 183 Ca 0.03 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 3kb1 s ALA 183 Cb -0.13 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.40 3kb1 s ALA 183 CO -0.09 -0.91 1.11 0.14 0.00 0.00 0.00 175.76 176.01 3kb1 s VAL 184 N 0.25 4.07 0.21 0.00 -7.23 -1.26 -0.39 120.40 116.06 3kb1 s VAL 184 Ca 0.65 0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 61.01 3kb1 s VAL 184 Cb -0.47 -4.74 0.15 0.00 0.56 0.00 0.00 36.38 31.88 3kb1 s VAL 184 CO 0.43 -1.50 1.76 -0.07 -0.31 0.00 0.00 175.10 175.41 3kb1 h LEU 185 N 11.95 1.10 0.00 1.32 3.38 -0.98 -3.43 115.31 128.64 3kb1 h LEU 185 Ca -0.27 -0.19 0.33 0.00 0.09 0.00 0.00 57.88 57.84 3kb1 h LEU 185 Cb 1.06 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3kb1 h LEU 185 CO 1.20 1.00 0.84 0.61 0.09 0.00 0.00 178.44 182.18 3kb1 n GLY 186 N -0.81 0.20 3.03 0.83 0.00 -1.25 -2.90 105.19 104.29 3kb1 n GLY 186 Ca 0.07 -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 -2.02 1.13 -0.22 -0.61 1.01 -0.81 -1.68 121.20 118.00 3kb1 s ILE 187 Ca 0.27 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 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 -0.05 -0.69 0.00 0.00 0.00 174.94 174.54 3kb1 s VAL 188 N 0.54 3.31 -0.89 2.92 1.01 0.52 -2.16 120.40 125.65 3kb1 s VAL 188 Ca -0.12 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3kb1 s VAL 188 Cb -0.15 -2.52 0.17 0.00 0.00 0.00 0.00 36.38 33.88 3kb1 s VAL 188 CO 0.03 0.40 0.97 -0.70 0.00 0.00 0.00 175.10 175.81 3kb1 s GLU 189 N 1.46 3.60 -1.15 2.72 2.12 0.03 -1.95 118.70 125.55 3kb1 s GLU 189 Ca 0.05 -2.07 -0.18 0.00 0.36 0.00 0.00 54.97 53.13 3kb1 s GLU 189 Cb -0.14 -4.71 -0.05 0.00 0.26 0.00 0.00 34.13 29.49 3kb1 s GLU 189 CO -0.04 -1.56 2.04 -1.71 -0.54 0.00 0.00 175.26 173.45 3kb1 n ASN 190 N 5.42 3.36 0.00 -1.70 5.15 -0.80 -2.43 115.26 124.26 3kb1 n ASN 190 Ca 0.20 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 3kb1 n ASN 190 Cb 0.48 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 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 7.50 0.00 -3.24 5.20 0.00 -1.07 -4.12 120.51 124.78 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 -0.26 -0.59 -3.80 0.00 0.18 -1.26 -1.61 117.16 109.82 3kb1 n TYR 193 Ca 0.00 -0.53 -0.13 0.00 1.88 0.00 0.00 57.90 59.12 3kb1 n TYR 193 Cb 0.00 0.11 -0.13 0.00 -0.38 0.00 0.00 39.34 38.95 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 -4.24 -0.18 -0.22 -3.48 5.36 -0.70 -0.99 117.98 113.53 3kb1 s PHE 194 Ca 0.07 0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3kb1 s PHE 194 Cb -0.00 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.73 3kb1 s PHE 194 CO 0.05 -0.11 -0.12 -1.21 -1.46 0.00 0.00 175.22 172.37 3kb1 s GLU 195 N 0.37 2.87 -0.21 10.12 2.02 -1.26 -1.38 118.70 131.25 3kb1 s GLU 195 Ca -0.02 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.74 3kb1 s GLU 195 Cb -0.04 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 3kb1 s GLU 195 CO -0.02 -0.33 1.55 0.00 0.02 0.00 0.00 175.26 176.48 3kb1 n PRO 197 N 7.46 0.03 -0.06 0.00 -0.04 -1.26 0.17 135.00 141.30 3kb1 n PRO 197 Ca 0.18 0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 3kb1 n PRO 197 Cb 0.45 -1.50 -0.12 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 -0.00 0.00 3.54 -1.24 -1.98 -3.41 115.58 112.48 3kb1 h ASN 198 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.11 3kb1 h ASN 198 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 3kb1 h ASN 198 CO 0.00 0.91 -0.11 0.00 -1.29 0.00 0.00 177.43 176.93 3kb1 n GLY 200 N 1.05 0.72 3.69 0.00 0.00 0.46 -5.01 105.19 106.09 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 -2.48 0.35 -4.04 1.61 4.07 -1.25 -4.64 120.64 114.27 3kb1 n GLU 201 Ca 0.00 0.19 -0.31 0.00 -0.06 0.00 0.00 57.16 56.98 3kb1 n GLU 201 Cb 0.00 -2.42 -0.16 0.00 -0.06 0.00 0.00 31.44 28.79 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 -3.91 2.41 -0.27 5.31 0.52 -1.26 -1.76 118.95 119.98 3kb1 s ARG 202 Ca 0.75 -0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 55.24 3kb1 s ARG 202 Cb -0.31 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 32.92 3kb1 s ARG 202 CO 0.49 -0.25 0.05 0.99 0.02 0.00 0.00 175.30 176.60 3kb1 s THR 203 N 1.43 3.88 -0.11 0.02 2.01 -0.48 -4.93 115.64 117.47 3kb1 s THR 203 Ca 0.04 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 3kb1 s THR 203 Cb -0.13 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 3kb1 s THR 203 CO -0.11 0.19 0.64 -0.31 -0.69 0.00 0.00 174.62 174.34 3kb1 s TYR 204 N 1.51 3.51 0.64 4.92 1.51 -1.26 -1.72 117.35 126.45 3kb1 s TYR 204 Ca 0.04 1.10 -0.16 0.00 -1.01 0.00 0.00 57.07 57.03 3kb1 s TYR 204 Cb -0.16 -2.75 -0.01 0.00 -0.11 0.00 0.00 41.96 38.93 3kb1 s TYR 204 CO 0.01 0.04 1.11 -0.51 -1.11 0.00 0.00 175.55 175.10 3kb1 s LEU 205 N 1.04 3.46 0.05 -1.29 1.43 -0.63 -4.92 118.68 117.81 3kb1 s LEU 205 Ca 0.33 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 55.16 3kb1 s LEU 205 Cb -0.17 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.41 3kb1 s LEU 205 CO 0.14 -1.56 1.97 0.12 0.23 0.00 0.00 176.35 177.26 3kb1 s PHE 206 N -2.23 1.32 0.00 0.29 2.19 -1.26 -2.07 117.98 116.22 3kb1 s PHE 206 Ca 0.68 -0.45 0.00 0.00 0.33 0.00 0.00 56.93 57.49 3kb1 s PHE 206 Cb -0.21 -4.25 0.00 0.00 -1.31 0.00 0.00 43.02 37.24 3kb1 s PHE 206 CO 0.39 -5.59 0.00 0.41 1.83 0.00 0.00 175.22 172.26 3kb1 n GLY 207 N 4.53 0.42 3.76 13.12 0.00 -1.26 -3.84 105.19 121.92 3kb1 n GLY 207 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.84 3.33 0.00 1.61 4.04 -0.88 -3.37 118.70 122.59 3kb1 s GLU 208 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 54.97 56.81 3kb1 s GLU 208 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 34.13 32.02 3kb1 s GLU 208 CO 0.00 -0.91 0.00 0.41 -1.84 0.00 0.00 175.26 172.92 3kb1 n GLY 209 N 0.42 0.16 0.00 -3.83 0.00 -1.26 -4.93 105.19 95.75 3kb1 n GLY 209 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.82 0.20 0.02 1.61 3.00 -1.22 -3.69 118.16 116.26 3kb1 n LYS 210 Ca 0.00 0.14 -0.10 0.00 -0.00 0.00 0.00 58.31 58.35 3kb1 n LYS 210 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.45 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 2.78 -0.16 -0.80 3.14 0.00 -1.92 -2.90 119.26 119.41 3kb1 h ALA 211 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kb1 h ALA 211 Cb 0.20 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3kb1 h ALA 211 CO 0.00 -0.22 0.53 0.66 0.00 0.00 0.00 179.25 180.22 3kb1 h SER 212 N -0.90 0.89 -0.08 0.00 4.64 -1.95 0.30 113.55 116.45 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 0.53 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3kb1 h SER 212 CO 0.03 0.63 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.25 3kb1 h GLU 213 N 1.04 0.17 -0.39 4.77 5.08 -1.68 -0.86 114.58 122.71 3kb1 h GLU 213 Ca 0.31 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kb1 h GLU 213 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3kb1 h GLU 213 CO -0.08 0.53 0.23 -0.07 -1.00 0.00 0.00 179.01 178.62 3kb1 h LEU 214 N -0.20 0.47 -0.32 1.33 3.38 -1.29 -1.04 115.31 117.65 3kb1 h LEU 214 Ca 0.02 -0.06 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 0.40 0.10 0.00 0.09 0.00 0.00 178.44 179.04 3kb1 h ALA 215 N 1.10 0.36 -0.86 1.53 0.00 -0.89 0.17 119.26 120.67 3kb1 h ALA 215 Ca 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kb1 h ALA 215 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kb1 h ALA 215 CO -0.03 -0.30 0.47 0.00 0.00 0.00 0.00 179.25 179.40 3kb1 h ARG 216 N 0.24 1.19 -0.17 0.00 3.08 -0.97 0.36 114.38 118.12 3kb1 h ARG 216 Ca 0.15 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3kb1 h ARG 216 Cb 0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3kb1 h ARG 216 CO -0.16 0.87 0.05 -0.22 -1.07 0.00 0.00 179.97 179.45 3kb1 h LYS 217 N 1.20 0.26 -0.53 0.04 3.64 -0.34 -3.20 116.57 117.64 3kb1 h LYS 217 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kb1 h LYS 217 Cb 0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kb1 h LYS 217 CO -0.05 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 3kb1 n TYR 218 N -4.83 0.70 -3.18 1.91 0.53 0.50 -4.97 117.16 107.81 3kb1 n TYR 218 Ca -0.05 -0.35 -0.15 0.00 -1.02 0.00 0.00 57.90 56.34 3kb1 n TYR 218 Cb 0.14 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.52 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 -5.49 -3.80 -0.72 4.76 0.23 -5.02 118.16 109.35 3kb1 n LYS 219 Ca 0.20 0.67 -0.36 0.00 -2.87 0.00 0.00 58.31 55.95 3kb1 n LYS 219 Cb 0.51 -5.18 -0.07 0.00 -1.84 0.00 0.00 35.03 28.46 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 5.46 -0.06 -0.18 1.01 0.10 -5.02 121.20 119.23 3kb1 s ILE 220 Ca 0.10 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 3kb1 s ILE 220 Cb -0.04 -3.44 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 3kb1 s ILE 220 CO 0.58 0.53 0.63 -0.08 0.00 0.00 0.00 174.94 176.60 3kb1 h GLU 221 N 5.79 -0.28 -6.27 2.79 4.81 -1.84 -3.42 114.58 116.16 3kb1 h GLU 221 Ca -0.48 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.20 3kb1 h GLU 221 Cb 1.19 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3kb1 h GLU 221 CO 0.67 0.00 -0.10 0.12 -0.73 0.00 0.00 179.01 178.97 3kb1 s PHE 222 N -3.01 3.64 -0.15 0.92 5.36 -1.14 -5.05 117.98 118.54 3kb1 s PHE 222 Ca -0.09 1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 56.80 3kb1 s PHE 222 Cb 0.00 -2.36 0.04 0.00 -0.34 0.00 0.00 43.02 40.36 3kb1 s PHE 222 CO 0.32 0.47 0.40 -1.50 -1.46 0.00 0.00 175.22 173.45 3kb1 s ILE 223 N -1.39 -0.00 -0.01 3.12 -1.16 -1.26 -1.92 121.20 118.58 3kb1 s ILE 223 Ca 0.35 0.00 -0.19 0.00 -0.51 0.00 0.00 60.65 60.31 3kb1 s ILE 223 Cb -0.16 -0.56 0.03 0.00 0.61 0.00 0.00 42.46 42.38 3kb1 s ILE 223 CO 0.19 0.00 0.40 0.28 -2.81 0.00 0.00 174.94 173.00 3kb1 s THR 224 N 0.24 0.05 -0.32 4.00 -1.32 -0.92 -4.98 115.64 112.39 3kb1 s THR 224 Ca -0.00 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 3kb1 s THR 224 Cb -0.03 -0.78 0.10 0.00 -1.51 0.00 0.00 72.50 70.28 3kb1 s THR 224 CO 0.00 -0.21 0.08 -1.61 -2.21 0.00 0.00 174.62 170.67 3kb1 s GLU 225 N -1.60 1.01 -0.28 7.08 2.02 -1.26 -0.79 118.70 124.89 3kb1 s GLU 225 Ca -0.11 -1.39 -0.23 0.00 0.02 0.00 0.00 54.97 53.27 3kb1 s GLU 225 Cb -0.03 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.73 3kb1 s GLU 225 CO 0.04 -0.97 0.74 0.42 0.02 0.00 0.00 175.26 175.51 3kb1 s ILE 226 N 1.34 4.87 0.88 -1.63 1.01 -1.02 -4.91 121.20 121.73 3kb1 s ILE 226 Ca 0.10 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 61.86 3kb1 s ILE 226 Cb -0.18 -4.07 0.12 0.00 0.01 0.00 0.00 42.46 38.34 3kb1 s ILE 226 CO -0.18 -0.12 1.11 -2.16 0.00 0.00 0.00 174.94 173.58 3kb1 s PRO 227 N 2.78 1.43 -0.67 2.79 0.04 -1.26 -2.60 135.00 137.51 3kb1 s PRO 227 Ca 0.31 0.53 -0.27 0.00 0.04 0.00 0.00 61.00 61.61 3kb1 s PRO 227 Cb -0.15 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3kb1 s PRO 227 CO 0.10 -2.05 1.63 0.42 0.04 0.00 0.00 177.00 177.14 3kb1 s ILE 228 N -3.14 3.50 -0.42 0.56 1.01 -0.16 -4.74 121.20 117.81 3kb1 s ILE 228 Ca 0.63 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 3kb1 s ILE 228 Cb -0.16 -4.34 0.05 0.00 0.01 0.00 0.00 42.46 38.03 3kb1 s ILE 228 CO 0.55 -1.29 0.30 -0.62 0.00 0.00 0.00 174.94 173.87 3kb1 s ASP 229 N 6.36 5.93 0.58 3.58 2.15 -1.26 -4.72 116.67 129.29 3kb1 s ASP 229 Ca 0.54 -1.20 0.29 0.00 0.43 0.00 0.00 52.55 52.62 3kb1 s ASP 229 Cb -0.11 -2.10 1.45 0.00 -0.30 0.00 0.00 42.92 41.87 3kb1 s ASP 229 CO 0.18 -0.52 1.87 0.77 -0.17 0.00 0.00 175.17 177.30 3kb1 h SER 230 N 8.58 0.00 -0.10 -0.34 4.64 -1.98 -0.40 113.55 123.94 3kb1 h SER 230 Ca -0.26 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.97 3kb1 h SER 230 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kb1 h SER 230 CO 0.77 0.00 -0.27 0.44 -0.87 0.00 0.00 176.83 176.90 3kb1 h ASP 231 N 0.00 0.42 0.27 4.97 3.32 -1.99 -2.02 116.42 121.39 3kb1 h ASP 231 Ca 0.27 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3kb1 h ASP 231 Cb 1.36 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3kb1 h ASP 231 CO -0.00 0.93 0.00 0.25 -1.72 0.00 0.00 179.24 178.70 3kb1 h LEU 232 N -0.07 0.00 0.00 1.55 5.85 -1.50 -0.12 115.31 121.02 3kb1 h LEU 232 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 3kb1 h LEU 232 Cb 0.88 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3kb1 h LEU 232 CO 0.06 0.00 -1.52 0.25 -0.34 0.00 0.00 178.44 176.89 3kb1 h LEU 233 N 0.00 0.00 0.04 2.25 5.85 -1.35 -2.77 115.31 119.34 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 0.14 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kb1 h LEU 233 CO 0.00 1.00 -0.02 0.50 -0.34 0.00 0.00 178.44 179.58 3kb1 h LYS 234 N 0.00 -0.05 0.00 1.25 3.64 -0.30 -3.09 116.57 118.01 3kb1 h LYS 234 Ca -0.21 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 3kb1 h LYS 234 Cb 1.95 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 3kb1 h LYS 234 CO 0.09 0.47 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.35 3kb1 h LEU 235 N -0.61 0.00 -0.55 5.20 3.38 -1.42 -2.49 115.31 118.82 3kb1 h LEU 235 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kb1 h LEU 235 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3kb1 h LEU 235 CO 0.01 0.32 -0.12 0.28 0.09 0.00 0.00 178.44 179.02 3kb1 h SER 236 N 0.00 1.04 -0.15 -0.43 0.02 -1.55 0.76 113.55 113.25 3kb1 h SER 236 Ca -0.00 -0.35 -0.21 0.00 -0.84 0.00 0.00 61.79 60.38 3kb1 h SER 236 Cb 0.89 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.16 3kb1 h SER 236 CO 0.04 1.15 -0.73 0.44 -1.14 0.00 0.00 176.83 176.59 3kb1 h ASP 237 N 0.92 0.93 0.36 3.07 3.45 -1.43 -2.99 116.42 120.73 3kb1 h ASP 237 Ca 0.14 -0.59 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3kb1 h ASP 237 Cb 0.69 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3kb1 h ASP 237 CO 0.05 1.38 0.00 0.18 -1.57 0.00 0.00 179.24 179.28 3kb1 n LEU 238 N -3.94 0.00 -2.21 1.55 4.77 -0.95 -4.89 117.00 111.33 3kb1 n LEU 238 Ca -0.07 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 3kb1 n LEU 238 Cb 0.72 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3kb1 n LEU 238 CO 0.52 -0.08 0.11 0.61 -1.33 0.00 0.00 177.39 177.22 3kb1 n GLY 239 N 0.48 0.11 2.37 -0.72 0.00 -0.83 -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 -2.85 1.38 0.00 1.61 1.74 0.20 -2.64 116.66 116.10 3kb1 n ARG 240 Ca -0.04 -3.14 0.02 0.00 -0.77 0.00 0.00 57.85 53.91 3kb1 n ARG 240 Cb 0.55 -1.22 0.09 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 -0.33 1.49 0.81 1.55 3.14 -0.98 -1.41 118.33 122.60 3kb1 n VAL 241 Ca 0.09 0.37 0.13 0.00 -2.96 0.00 0.00 64.34 61.98 3kb1 n VAL 241 Cb 0.90 -1.30 0.44 0.00 -1.06 0.00 0.00 33.84 32.82 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 -1.43 0.13 0.00 1.45 1.02 -1.26 -3.23 120.64 117.31 3kb1 n GLU 242 Ca 0.01 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3kb1 n GLU 242 Cb 0.04 -1.63 0.14 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.85 0.56 -1.69 3.49 1.02 -0.50 -4.86 120.64 116.80 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 0.38 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.72 1.29 0.10 -0.32 6.14 -1.20 -4.88 117.35 115.76 3kb1 s TYR 244 Ca 0.16 0.67 -0.12 0.00 0.64 0.00 0.00 57.07 58.42 3kb1 s TYR 244 Cb 0.18 -3.94 -0.17 0.00 0.42 0.00 0.00 41.96 38.45 3kb1 s TYR 244 CO 0.65 -3.66 1.27 1.49 0.64 0.00 0.00 175.55 175.94 3kb1 h GLU 245 N 15.10 0.74 -6.50 4.97 4.81 -1.91 -3.45 114.58 128.35 3kb1 h GLU 245 Ca -0.37 -0.68 -0.53 0.00 -0.13 0.00 0.00 59.36 57.65 3kb1 h GLU 245 Cb 1.23 0.16 0.03 0.00 0.63 0.00 0.00 28.75 30.80 3kb1 h GLU 245 CO 1.00 1.27 0.92 -1.25 -0.73 0.00 0.00 179.01 180.22 3kb1 s PRO 246 N -3.57 4.22 -0.43 0.92 0.04 -1.26 -4.96 135.00 129.96 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 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 31.27 3kb1 s PRO 246 CO 0.91 -0.65 0.28 0.34 0.04 0.00 0.00 177.00 177.92 3kb1 s ASP 247 N 1.86 5.70 0.00 6.66 3.68 -1.26 -4.94 116.67 128.37 3kb1 s ASP 247 Ca 0.71 -1.52 0.31 0.00 2.13 0.00 0.00 52.55 54.18 3kb1 s ASP 247 Cb -0.40 -2.01 1.74 0.00 -1.45 0.00 0.00 42.92 40.81 3kb1 s ASP 247 CO 0.31 -0.56 2.14 0.79 0.13 0.00 0.00 175.17 177.98 3kb1 n TRP 248 N 4.95 0.00 -0.28 -5.34 7.02 -1.26 -3.10 117.44 119.43 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 -0.01 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 -0.81 0.53 -0.87 -5.99 3.72 -1.26 -4.75 117.46 108.02 3kb1 n PHE 249 Ca 0.23 -0.55 -0.12 0.00 -0.05 0.00 0.00 57.45 56.96 3kb1 n PHE 249 Cb 0.16 -0.06 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 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 0.40 1.84 0.00 -1.08 -0.58 -1.18 -1.31 120.64 118.73 3kb1 n GLU 250 Ca 0.13 -0.96 0.00 0.00 -0.42 0.00 0.00 57.16 55.91 3kb1 n GLU 250 Cb 0.49 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 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 2.69 0.00 -2.06 -0.32 0.99 -1.26 -5.12 117.46 112.39 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 0.72 0.05 -0.03 0.00 -1.00 0.00 0.00 39.48 39.23 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 3.00 0.70 1.38 5.99 -0.42 -4.96 117.98 123.67 3kb1 s PHE 252 Ca 0.00 0.72 -0.16 0.00 0.00 0.00 0.00 56.93 57.49 3kb1 s PHE 252 Cb 0.00 -3.81 0.02 0.00 0.00 0.00 0.00 43.02 39.23 3kb1 s PHE 252 CO 0.00 -2.99 1.25 -1.25 -0.00 0.00 0.00 175.22 172.23 3kb1 s PRO 253 N 1.51 2.25 0.55 10.12 0.04 -1.26 -4.96 135.00 143.25 3kb1 s PRO 253 Ca 0.68 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.44 3kb1 s PRO 253 Cb -0.39 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3kb1 s PRO 253 CO 0.30 -1.79 1.00 0.98 0.04 0.00 0.00 177.00 177.53 3kb1 n TYR 254 N -2.40 1.01 -1.92 0.56 -0.00 -1.26 -4.95 117.16 108.20 3kb1 n TYR 254 Ca 0.15 0.46 0.04 0.00 -0.00 0.00 0.00 57.90 58.55 3kb1 n TYR 254 Cb 0.49 -2.18 0.07 0.00 -0.00 0.00 0.00 39.34 37.72 3kb1 n TYR 254 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3kb1 n LEU 255 N -0.41 1.25 -1.61 2.98 4.32 -1.26 -5.08 117.00 117.19 3kb1 n LEU 255 Ca 0.12 -2.24 0.00 0.00 -0.02 0.00 0.00 56.01 53.87 3kb1 n LEU 255 Cb 0.45 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3kb1 n LEU 255 CO 0.52 0.63 -0.16 1.21 -1.22 0.00 0.00 177.39 178.37 3kb1 n GLU 256 N -0.30 -0.25 -1.19 3.23 2.13 -1.26 -4.87 120.64 118.13 3kb1 n GLU 256 Ca 0.08 0.40 -0.22 0.00 0.66 0.00 0.00 57.16 58.09 3kb1 n GLU 256 Cb 0.83 -0.41 0.16 0.00 0.27 0.00 0.00 31.44 32.29 3kb1 n GLU 256 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 3kb1 n HIS 257 N 1.09 2.62 0.78 4.31 1.44 -1.26 -4.78 115.22 119.41 3kb1 n HIS 257 Ca 0.00 -2.05 0.06 0.00 -2.01 0.00 0.00 57.72 53.72 3kb1 n HIS 257 Cb 0.16 -0.91 0.37 0.00 0.12 0.00 0.00 29.99 29.73 3kb1 n HIS 257 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25