#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klz h GLY 22 N 0.00 1.02 1.08 3.41 0.00 -2.05 0.31 103.07 106.84 3klz h GLY 22 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 3klz h GLY 22 CO 0.00 0.39 -1.05 0.83 0.00 0.00 0.00 176.54 176.71 3klz h GLU 23 N 0.98 0.00 0.11 4.80 4.39 -2.06 -3.03 114.58 119.77 3klz h GLU 23 Ca 0.26 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.67 3klz h GLU 23 Cb -0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3klz h GLU 23 CO -0.05 0.10 -1.22 0.78 -1.16 0.00 0.00 179.01 177.46 3klz h GLY 24 N 3.90 0.64 1.60 -3.84 0.00 -1.91 -3.08 103.07 100.39 3klz h GLY 24 Ca -0.05 -1.34 -0.18 0.00 0.00 0.00 0.00 47.33 45.77 3klz h GLY 24 CO 0.02 1.18 -0.69 1.70 0.00 0.00 0.00 176.54 178.74 3klz h LYS 25 N 0.25 0.39 0.00 4.80 1.63 -0.53 -3.03 116.57 120.09 3klz h LYS 25 Ca -0.17 -0.31 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 3klz h LYS 25 Cb 1.89 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.57 3klz h LYS 25 CO 0.23 0.94 -0.24 0.00 -3.45 0.00 0.00 179.45 176.92 3klz h ALA 26 N 0.98 1.17 -0.02 5.00 0.00 -1.61 -2.83 119.26 121.95 3klz h ALA 26 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3klz h ALA 26 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3klz h ALA 26 CO 0.12 0.30 -0.12 -0.22 0.00 0.00 0.00 179.25 179.33 3klz h LYS 27 N 0.00 0.12 -0.19 0.00 3.64 -1.43 -2.12 116.57 116.59 3klz h LYS 27 Ca -0.00 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3klz h LYS 27 Cb 0.61 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 3klz h LYS 27 CO 0.03 0.77 -0.16 0.87 -2.27 0.00 0.00 179.45 178.69 3klz h LYS 28 N -0.50 -0.17 -0.43 1.90 1.57 -1.50 0.71 116.57 118.14 3klz h LYS 28 Ca -0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3klz h LYS 28 Cb 0.79 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3klz h LYS 28 CO 0.02 -0.11 0.30 0.00 -0.57 0.00 0.00 179.45 179.09 3klz h ALA 29 N 0.93 2.14 0.15 3.86 0.00 -1.56 -0.48 119.26 124.30 3klz h ALA 29 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3klz h ALA 29 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3klz h ALA 29 CO -0.29 -0.24 -0.07 0.00 0.00 0.00 0.00 179.25 178.64 3klz h ALA 30 N 1.78 -0.20 -0.82 0.00 0.00 -0.30 -2.20 119.26 117.52 3klz h ALA 30 Ca 0.20 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3klz h ALA 30 Cb 0.53 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3klz h ALA 30 CO -0.03 -0.38 0.53 1.88 0.00 0.00 0.00 179.25 181.25 3klz h TYR 31 N -0.67 0.86 -0.28 0.00 0.05 -0.43 0.14 116.97 116.64 3klz h TYR 31 Ca -0.02 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 3klz h TYR 31 Cb 0.49 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3klz h TYR 31 CO 0.06 0.42 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.30 3klz h LYS 32 N 0.82 0.55 -0.32 4.88 3.64 -1.09 0.13 116.57 125.17 3klz h LYS 32 Ca 0.37 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3klz h LYS 32 Cb 0.35 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3klz h LYS 32 CO -0.14 0.76 0.20 1.03 -2.27 0.00 0.00 179.45 179.03 3klz h SER 33 N 0.30 0.38 -0.79 4.20 0.87 -0.91 -1.33 113.55 116.27 3klz h SER 33 Ca 0.07 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 3klz h SER 33 Cb 0.57 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.36 3klz h SER 33 CO 0.03 0.30 0.45 0.15 -0.53 0.00 0.00 176.83 177.23 3klz h PHE 34 N 0.43 0.83 -0.05 2.24 3.57 -0.38 -0.50 116.94 123.07 3klz h PHE 34 Ca 0.12 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 3klz h PHE 34 Cb -0.02 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3klz h PHE 34 CO -0.05 0.36 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.77 3klz h LEU 35 N 0.79 0.17 -0.51 0.59 3.38 -0.39 -1.61 115.31 117.72 3klz h LEU 35 Ca 0.37 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 3klz h LEU 35 Cb 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3klz h LEU 35 CO -0.22 0.69 -0.12 -0.07 0.09 0.00 0.00 178.44 178.81 3klz h LEU 36 N 0.12 0.00 0.12 1.67 3.38 -0.66 -2.34 115.31 117.59 3klz h LEU 36 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3klz h LEU 36 Cb 1.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.80 3klz h LEU 36 CO 0.08 0.12 -1.28 0.00 0.09 0.00 0.00 178.44 177.46 3klz h ALA 37 N 1.88 0.02 -0.88 1.53 0.00 -0.71 -1.08 119.26 120.02 3klz h ALA 37 Ca -0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 3klz h ALA 37 Cb 0.92 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3klz h ALA 37 CO 0.02 0.77 0.48 0.82 0.00 0.00 0.00 179.25 181.34 3klz h ILE 38 N 0.19 1.26 -0.37 0.00 2.04 -1.16 -1.16 117.51 118.30 3klz h ILE 38 Ca -0.18 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 3klz h ILE 38 Cb 1.96 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3klz h ILE 38 CO 0.23 0.29 -0.06 -1.28 0.00 0.00 0.00 178.15 177.33 3klz h SER 39 N 1.24 0.69 -0.19 1.72 0.87 -1.38 -2.07 113.55 114.43 3klz h SER 39 Ca 0.31 -0.35 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 3klz h SER 39 Cb 0.03 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3klz h SER 39 CO -0.05 0.87 -0.32 0.00 -0.53 0.00 0.00 176.83 176.81 3klz h ALA 40 N 0.84 0.84 -0.53 6.23 0.00 -1.11 -1.74 119.26 123.77 3klz h ALA 40 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3klz h ALA 40 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3klz h ALA 40 CO 0.03 0.64 0.24 0.78 0.00 0.00 0.00 179.25 180.94 3klz h GLY 41 N 0.98 0.84 1.03 0.00 0.00 -1.12 -0.54 103.07 104.26 3klz h GLY 41 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.97 3klz h GLY 41 CO 0.07 0.41 0.65 -2.22 0.00 0.00 0.00 176.54 175.46 3klz h ILE 42 N 0.72 1.25 -0.18 2.60 2.04 -1.28 -1.45 117.51 121.20 3klz h ILE 42 Ca 0.18 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 3klz h ILE 42 Cb 0.16 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3klz h ILE 42 CO -0.02 0.24 -0.44 1.56 0.00 0.00 0.00 178.15 179.50 3klz h GLN 43 N 1.33 0.62 -0.71 2.37 4.20 -0.79 -0.46 115.11 121.67 3klz h GLN 43 Ca 0.36 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3klz h GLN 43 Cb -0.15 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3klz h GLN 43 CO -0.08 1.04 0.22 0.82 -0.67 0.00 0.00 178.83 180.17 3klz h ILE 44 N 0.30 1.26 -0.96 2.54 1.08 -1.14 -2.11 117.51 118.48 3klz h ILE 44 Ca -0.00 -0.89 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 3klz h ILE 44 Cb 1.05 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 3klz h ILE 44 CO 0.10 0.35 0.63 1.23 -0.69 0.00 0.00 178.15 179.76 3klz h GLY 45 N 1.05 1.39 0.80 5.37 0.00 -1.14 -0.86 103.07 109.68 3klz h GLY 45 Ca 0.23 -0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.16 3klz h GLY 45 CO -0.01 0.42 0.57 -2.22 0.00 0.00 0.00 176.54 175.30 3klz h ILE 46 N 1.22 1.01 -0.59 2.60 2.04 -0.72 -0.57 117.51 122.50 3klz h ILE 46 Ca 0.38 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3klz h ILE 46 Cb -0.02 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.03 3klz h ILE 46 CO -0.12 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.59 3klz h ALA 47 N 1.54 0.75 -0.16 1.87 0.00 -0.50 -1.54 119.26 121.23 3klz h ALA 47 Ca 0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3klz h ALA 47 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3klz h ALA 47 CO -0.16 0.19 -0.36 0.74 0.00 0.00 0.00 179.25 179.66 3klz h PHE 48 N 0.80 0.38 -0.56 0.00 0.04 -0.83 -0.56 116.94 116.21 3klz h PHE 48 Ca 0.22 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3klz h PHE 48 Cb -0.08 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3klz h PHE 48 CO -0.03 0.65 0.29 0.28 -0.60 0.00 0.00 178.31 178.91 3klz h VAL 49 N 0.28 1.19 -0.18 -0.55 2.07 -0.76 -0.16 116.25 118.14 3klz h VAL 49 Ca 0.03 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3klz h VAL 49 Cb 0.77 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3klz h VAL 49 CO 0.06 0.21 0.04 0.15 0.02 0.00 0.00 177.57 178.05 3klz h PHE 50 N 0.76 0.30 -0.64 1.57 3.57 -1.13 -1.55 116.94 119.82 3klz h PHE 50 Ca 0.20 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3klz h PHE 50 Cb 0.07 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3klz h PHE 50 CO -0.01 0.42 0.33 -0.92 -2.23 0.00 0.00 178.31 175.90 3klz h TYR 51 N 0.09 0.59 -0.42 0.41 5.03 -0.89 -1.10 116.97 120.68 3klz h TYR 51 Ca 0.06 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.33 3klz h TYR 51 Cb 0.28 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 3klz h TYR 51 CO 0.01 0.26 0.02 1.15 -1.32 0.00 0.00 178.16 178.28 3klz h THR 52 N 0.59 1.26 0.08 1.81 2.02 -0.80 -1.65 112.91 116.22 3klz h THR 52 Ca 0.30 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3klz h THR 52 Cb 0.24 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3klz h THR 52 CO -0.21 0.34 -0.08 0.58 0.37 0.00 0.00 175.52 176.52 3klz h VAL 53 N 0.58 0.83 -0.35 3.16 2.07 -0.93 -2.74 116.25 118.86 3klz h VAL 53 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3klz h VAL 53 Cb 0.45 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3klz h VAL 53 CO 0.02 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.22 3klz h VAL 54 N -0.17 1.19 -0.23 2.57 2.07 -1.05 -2.23 116.25 118.39 3klz h VAL 54 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3klz h VAL 54 Cb 0.17 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3klz h VAL 54 CO -0.02 0.25 0.00 0.35 0.02 0.00 0.00 177.57 178.17 3klz n THR 55 N -4.30 0.29 -2.43 2.57 -2.24 -0.63 -4.88 114.28 102.66 3klz n THR 55 Ca 0.02 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 3klz n THR 55 Cb 0.22 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 3klz n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3klz s THR 56 N -1.71 3.89 -0.37 4.28 2.01 -0.84 -3.36 115.64 119.54 3klz s THR 56 Ca 0.34 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.79 3klz s THR 56 Cb 0.19 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3klz s THR 56 CO 0.27 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 3klz n GLY 57 N 2.75 0.65 1.18 4.40 0.00 -1.26 -4.92 105.19 107.99 3klz n GLY 57 Ca 0.07 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3klz n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3klz n ALA 58 N 1.06 2.70 -0.34 4.61 0.00 -1.21 -4.52 120.51 122.80 3klz n ALA 58 Ca -0.03 -1.11 0.21 0.00 0.00 0.00 0.00 53.44 52.51 3klz n ALA 58 Cb 0.15 -0.99 0.44 0.00 0.00 0.00 0.00 19.45 19.06 3klz n ALA 58 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3klz h HIS 59 N 3.25 0.95 0.00 0.00 2.07 -1.91 0.76 115.15 120.26 3klz h HIS 59 Ca 0.00 0.04 -0.09 0.00 -2.85 0.00 0.00 60.37 57.46 3klz h HIS 59 Cb 0.98 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.68 3klz h HIS 59 CO 0.49 -0.06 -0.45 0.38 -3.07 0.00 0.00 177.93 175.22 3klz h ASP 60 N 0.44 0.00 -4.31 3.10 3.04 -2.01 -3.46 116.42 113.21 3klz h ASP 60 Ca 0.69 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.97 3klz h ASP 60 Cb 1.49 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 39.88 3klz h ASP 60 CO -0.53 0.45 0.36 -0.04 -2.04 0.00 0.00 179.24 177.44 3klz s MET 61 N -3.93 2.87 0.27 4.15 -1.94 0.26 -4.98 119.30 116.00 3klz s MET 61 Ca -0.02 1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 54.70 3klz s MET 61 Cb 0.13 -1.98 -0.11 0.00 2.01 0.00 0.00 34.83 34.89 3klz s MET 61 CO 0.73 -1.16 1.49 -2.14 -0.01 0.00 0.00 175.02 173.93 3klz s PRO 62 N -4.87 4.21 0.23 2.03 0.02 -1.26 -4.89 135.00 130.48 3klz s PRO 62 Ca 0.60 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.88 3klz s PRO 62 Cb -0.15 -3.07 0.28 0.00 0.02 0.00 0.00 34.50 31.58 3klz s PRO 62 CO 0.52 -0.49 1.57 -0.92 -0.33 0.00 0.00 177.00 177.35 3klz h TYR 63 N 4.84 -0.78 -0.42 6.54 5.03 -1.92 -1.99 116.97 128.27 3klz h TYR 63 Ca -0.47 0.09 -0.14 0.00 2.58 0.00 0.00 58.73 60.79 3klz h TYR 63 Cb 1.22 0.47 -0.01 0.00 1.55 0.00 0.00 36.73 39.96 3klz h TYR 63 CO 0.59 -0.39 -0.30 0.78 -1.32 0.00 0.00 178.16 177.52 3klz h GLY 64 N -0.03 1.03 0.95 1.82 0.00 -1.99 -1.40 103.07 103.44 3klz h GLY 64 Ca 0.36 -0.99 0.02 0.00 0.00 0.00 0.00 47.33 46.72 3klz h GLY 64 CO -0.89 0.89 0.55 -2.08 0.00 0.00 0.00 176.54 175.01 3klz h VAL 65 N 0.77 1.18 -0.14 4.60 2.07 -1.80 -0.85 116.25 122.08 3klz h VAL 65 Ca 0.08 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3klz h VAL 65 Cb 0.89 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3klz h VAL 65 CO 0.08 0.20 0.04 0.74 0.02 0.00 0.00 177.57 178.65 3klz h THR 66 N 1.09 1.19 -0.92 2.57 2.02 -1.07 -0.20 112.91 117.59 3klz h THR 66 Ca 0.32 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3klz h THR 66 Cb -0.07 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3klz h THR 66 CO -0.09 0.17 0.60 0.11 0.37 0.00 0.00 175.52 176.69 3klz h LYS 67 N 0.05 1.16 -0.07 6.66 1.79 -1.14 -1.67 116.57 123.35 3klz h LYS 67 Ca 0.05 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3klz h LYS 67 Cb 0.23 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3klz h LYS 67 CO -0.00 0.77 0.02 1.25 -1.08 0.00 0.00 179.45 180.41 3klz h LEU 68 N 1.20 0.10 -1.05 2.94 5.85 -0.85 -0.42 115.31 123.08 3klz h LEU 68 Ca 0.36 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3klz h LEU 68 Cb -0.06 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3klz h LEU 68 CO -0.10 0.27 0.64 -0.07 -0.34 0.00 0.00 178.44 178.84 3klz h LEU 69 N -0.07 1.08 -0.27 2.25 3.38 -0.88 0.13 115.31 120.93 3klz h LEU 69 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3klz h LEU 69 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3klz h LEU 69 CO -0.00 0.76 0.17 1.23 0.09 0.00 0.00 178.44 180.69 3klz h GLY 70 N 1.27 0.38 0.96 0.83 0.00 -1.10 -1.72 103.07 103.69 3klz h GLY 70 Ca 0.38 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 3klz h GLY 70 CO -0.10 0.14 0.12 -1.33 0.00 0.00 0.00 176.54 175.36 3klz h GLY 71 N 0.36 0.79 0.73 4.60 0.00 -0.47 -0.77 103.07 108.32 3klz h GLY 71 Ca 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 46.96 3klz h GLY 71 CO -0.02 0.46 -0.03 1.41 0.00 0.00 0.00 176.54 178.36 3klz h LEU 72 N 0.62 -0.13 -0.86 3.11 3.38 -0.88 -2.16 115.31 118.40 3klz h LEU 72 Ca 0.15 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3klz h LEU 72 Cb 0.31 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3klz h LEU 72 CO 0.00 -0.04 0.51 0.00 0.09 0.00 0.00 178.44 179.00 3klz h ALA 73 N 1.14 1.21 0.00 1.53 0.00 -1.18 -2.69 119.26 119.27 3klz h ALA 73 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3klz h ALA 73 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3klz h ALA 73 CO -0.14 0.18 -0.07 0.35 0.00 0.00 0.00 179.25 179.57 3klz h PHE 74 N 0.88 0.00 -0.02 0.00 3.04 -0.50 -2.60 116.94 117.74 3klz h PHE 74 Ca 0.40 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.36 3klz h PHE 74 Cb 0.30 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3klz h PHE 74 CO -0.04 0.07 0.07 0.66 -2.02 0.00 0.00 178.31 177.04 3klz h SER 75 N 0.00 0.00 -0.72 0.41 4.64 -1.11 -1.45 113.55 115.32 3klz h SER 75 Ca -0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3klz h SER 75 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.29 3klz h SER 75 CO 0.01 0.00 0.23 0.25 -0.87 0.00 0.00 176.83 176.44 3klz h LEU 76 N 0.00 0.14 -0.36 5.97 5.85 -1.66 -1.93 115.31 123.31 3klz h LEU 76 Ca 0.01 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3klz h LEU 76 Cb 0.15 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3klz h LEU 76 CO -0.00 0.04 -0.13 1.23 -0.34 0.00 0.00 178.44 179.24 3klz h GLY 77 N 0.35 0.20 1.81 3.75 0.00 -1.47 -0.37 103.07 107.34 3klz h GLY 77 Ca 0.40 0.16 -0.17 0.00 0.00 0.00 0.00 47.33 47.72 3klz h GLY 77 CO -0.44 -0.16 -0.76 -2.00 0.00 0.00 0.00 176.54 173.18 3klz h LEU 78 N -0.05 0.22 -0.55 3.11 5.85 -1.64 -1.42 115.31 120.82 3klz h LEU 78 Ca 0.18 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3klz h LEU 78 Cb 0.32 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3klz h LEU 78 CO -0.40 0.89 0.35 0.40 -0.34 0.00 0.00 178.44 179.34 3klz h ILE 79 N 0.11 1.16 0.20 4.05 2.04 -0.95 -0.15 117.51 123.98 3klz h ILE 79 Ca -0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3klz h ILE 79 Cb 1.33 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3klz h ILE 79 CO 0.11 0.16 -0.10 -0.07 0.00 0.00 0.00 178.15 178.25 3klz h LEU 80 N 0.75 -0.23 -0.03 1.44 3.38 -0.90 -1.66 115.31 118.06 3klz h LEU 80 Ca 0.20 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3klz h LEU 80 Cb -0.04 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3klz h LEU 80 CO -0.04 -0.06 -0.34 0.58 0.09 0.00 0.00 178.44 178.67 3klz h VAL 81 N -0.39 0.27 -0.10 1.22 2.07 -1.13 0.04 116.25 118.23 3klz h VAL 81 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3klz h VAL 81 Cb 0.30 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3klz h VAL 81 CO 0.05 0.00 0.04 0.58 0.02 0.00 0.00 177.57 178.26 3klz h VAL 82 N -0.47 1.14 -0.12 2.57 2.07 -1.03 -0.78 116.25 119.63 3klz h VAL 82 Ca 0.07 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 3klz h VAL 82 Cb 0.57 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3klz h VAL 82 CO -0.30 0.13 -0.71 0.40 0.02 0.00 0.00 177.57 177.12 3klz h ILE 83 N 0.01 1.34 -0.00 4.57 2.04 -1.27 -3.20 117.51 120.99 3klz h ILE 83 Ca 0.03 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.87 3klz h ILE 83 Cb 0.17 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3klz h ILE 83 CO -0.00 0.62 -0.15 0.35 0.00 0.00 0.00 178.15 178.97 3klz n THR 84 N -3.89 0.00 -1.63 -0.27 -2.24 -0.01 -4.95 114.28 101.30 3klz n THR 84 Ca -0.05 -0.06 -0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3klz n THR 84 Cb 0.70 -0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3klz n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3klz n GLY 85 N 1.31 0.37 3.77 3.38 0.00 -0.67 -5.05 105.19 108.30 3klz n GLY 85 Ca 0.13 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 3klz n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3klz s GLY 86 N -3.00 2.17 -0.41 -0.02 0.00 -0.39 -4.97 107.32 100.71 3klz s GLY 86 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 44.72 45.19 3klz s GLY 86 CO 0.00 0.93 0.25 -0.54 0.00 0.00 0.00 173.10 173.74 3klz s GLU 87 N -4.07 2.72 -0.22 2.90 2.02 -0.50 -4.84 118.70 116.70 3klz s GLU 87 Ca 0.68 -1.30 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 3klz s GLU 87 Cb -0.21 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 3klz s GLU 87 CO 0.42 -0.86 0.03 -1.17 0.02 0.00 0.00 175.26 173.69 3klz s LEU 88 N 1.49 3.30 0.29 1.80 2.96 -1.26 -4.02 118.68 123.24 3klz s LEU 88 Ca 0.02 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3klz s LEU 88 Cb -0.22 -1.86 0.65 0.00 0.50 0.00 0.00 46.19 45.27 3klz s LEU 88 CO 0.04 0.01 1.61 0.15 -1.32 0.00 0.00 176.35 176.85 3klz h PHE 89 N 7.86 0.06 -0.69 5.38 3.57 -1.95 -0.08 116.94 131.09 3klz h PHE 89 Ca -0.38 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.25 3klz h PHE 89 Cb 1.17 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 3klz h PHE 89 CO 0.62 -0.32 0.46 1.79 -2.23 0.00 0.00 178.31 178.63 3klz h THR 90 N 0.09 1.02 0.04 4.41 1.35 -1.96 -0.89 112.91 116.97 3klz h THR 90 Ca 0.53 -0.24 -0.24 0.00 -0.55 0.00 0.00 66.41 65.91 3klz h THR 90 Cb 1.06 0.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 3klz h THR 90 CO -0.78 0.13 -1.14 0.28 -0.25 0.00 0.00 175.52 173.76 3klz h SER 91 N 0.71 0.12 -0.23 5.36 0.02 -1.47 -3.26 113.55 114.80 3klz h SER 91 Ca 0.30 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3klz h SER 91 Cb 0.26 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3klz h SER 91 CO -0.10 1.11 0.16 0.28 -1.14 0.00 0.00 176.83 177.14 3klz h SER 92 N 0.02 0.09 -0.84 3.07 0.02 -0.35 -0.92 113.55 114.64 3klz h SER 92 Ca -0.07 -0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.00 3klz h SER 92 Cb 1.85 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 64.31 3klz h SER 92 CO 0.14 0.06 0.55 0.58 -1.14 0.00 0.00 176.83 177.03 3klz h VAL 93 N 0.11 0.87 0.00 2.27 2.07 -1.24 -1.42 116.25 118.91 3klz h VAL 93 Ca 0.11 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3klz h VAL 93 Cb 0.28 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3klz h VAL 93 CO -0.01 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3klz n LEU 94 N -4.53 0.61 -0.60 2.57 -0.00 -0.35 -3.07 117.00 111.63 3klz n LEU 94 Ca 0.16 -0.31 0.12 0.00 -0.00 0.00 0.00 56.01 55.98 3klz n LEU 94 Cb 0.43 -0.31 0.13 0.00 -0.00 0.00 0.00 43.42 43.67 3klz n LEU 94 CO 0.31 0.15 0.50 0.00 -0.00 0.00 0.00 177.39 178.35 3klz n ILE 95 N 0.10 0.00 -0.35 1.47 0.13 -0.53 -4.27 119.36 115.90 3klz n ILE 95 Ca 0.00 -0.31 -0.12 0.00 -1.10 0.00 0.00 62.75 61.22 3klz n ILE 95 Cb 0.15 1.15 0.05 0.00 -0.84 0.00 0.00 39.64 40.16 3klz n ILE 95 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3klz n LEU 96 N 0.33 5.37 -0.08 9.51 -0.00 -1.17 -3.81 117.00 127.15 3klz n LEU 96 Ca 0.12 -2.75 -0.22 0.00 -0.00 0.00 0.00 56.01 53.17 3klz n LEU 96 Cb 0.48 -0.84 -0.12 0.00 -0.00 0.00 0.00 43.42 42.94 3klz n LEU 96 CO 0.23 0.95 -0.60 0.58 -0.00 0.00 0.00 177.39 178.55 3klz h VAL 97 N 0.69 0.84 0.00 1.47 2.07 -1.88 -3.11 116.25 116.32 3klz h VAL 97 Ca 0.26 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3klz h VAL 97 Cb 1.37 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3klz h VAL 97 CO 0.55 0.46 0.00 0.00 0.02 0.00 0.00 177.57 178.60 3klz n ALA 98 N -3.32 0.00 -0.44 1.67 0.00 -1.26 -3.33 120.51 113.84 3klz n ALA 98 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3klz n ALA 98 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 3klz n ALA 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3klz n LYS 99 N -2.00 0.00 -1.29 0.00 4.81 -1.17 -4.06 118.16 114.45 3klz n LYS 99 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 3klz n LYS 99 Cb 0.00 -0.11 0.13 0.00 0.02 0.00 0.00 35.03 35.07 3klz n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3klz n ALA 100 N 0.00 5.81 0.16 3.14 0.00 -1.21 -4.60 120.51 123.80 3klz n ALA 100 Ca 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.20 3klz n ALA 100 Cb 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3klz n ALA 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3klz n SER 101 N -1.02 -2.11 0.01 0.00 7.64 -1.26 -5.08 113.62 111.80 3klz n SER 101 Ca 0.58 0.58 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3klz n SER 101 Cb 1.12 2.09 0.00 0.00 -1.01 0.00 0.00 64.21 66.41 3klz n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3klz n GLY 102 N -0.36 0.04 3.29 0.23 0.00 -1.26 -4.99 105.19 102.13 3klz n GLY 102 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3klz n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3klz s LYS 103 N -1.11 1.14 0.15 1.61 3.01 -1.26 -3.99 119.74 119.29 3klz s LYS 103 Ca 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 55.97 53.80 3klz s LYS 103 Cb 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 37.83 35.42 3klz s LYS 103 CO 0.00 0.33 0.00 0.44 0.51 0.00 0.00 175.35 176.63 3klz n ILE 104 N 1.10 0.00 0.00 2.17 -5.35 -1.26 -4.92 119.36 111.10 3klz n ILE 104 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3klz n ILE 104 Cb 0.53 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 3klz n ILE 104 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3klz n SER 105 N -2.89 0.00 -3.14 7.28 2.88 -1.26 -4.63 113.62 111.87 3klz n SER 105 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 3klz n SER 105 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 3klz n SER 105 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3klz n TRP 106 N -0.59 -3.31 0.00 0.66 7.02 -1.26 -1.95 117.44 118.01 3klz n TRP 106 Ca 0.00 -0.55 0.00 0.00 -1.02 0.00 0.00 57.50 55.93 3klz n TRP 106 Cb 0.00 -0.72 0.00 0.00 -2.42 0.00 0.00 31.31 28.17 3klz n TRP 106 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3klz n LYS 107 N -3.94 0.00 0.14 -0.99 4.01 -1.26 -3.47 118.16 112.66 3klz n LYS 107 Ca 0.09 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3klz n LYS 107 Cb 0.36 0.00 0.25 0.00 -0.51 0.00 0.00 35.03 35.13 3klz n LYS 107 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3klz h GLU 108 N 0.00 0.06 -0.11 1.97 5.08 -1.82 0.48 114.58 120.23 3klz h GLU 108 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3klz h GLU 108 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3klz h GLU 108 CO 0.00 0.54 -0.23 1.25 -1.00 0.00 0.00 179.01 179.57 3klz h LEU 109 N 0.05 0.40 -0.82 1.33 6.46 -1.42 -1.61 115.31 119.70 3klz h LEU 109 Ca -0.00 -0.56 -0.10 0.00 -0.12 0.00 0.00 57.88 57.10 3klz h LEU 109 Cb 0.88 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 3klz h LEU 109 CO 0.07 0.88 -0.18 0.58 -0.62 0.00 0.00 178.44 179.17 3klz h VAL 110 N -0.08 1.26 -0.20 1.05 2.07 -1.80 -0.63 116.25 117.92 3klz h VAL 110 Ca 0.00 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3klz h VAL 110 Cb 0.82 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3klz h VAL 110 CO 0.05 0.41 0.11 -0.09 0.02 0.00 0.00 177.57 178.07 3klz h ARG 111 N 0.62 0.28 0.52 1.57 1.12 -0.07 -0.48 114.38 117.95 3klz h ARG 111 Ca 0.10 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 3klz h ARG 111 Cb 0.64 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.55 3klz h ARG 111 CO 0.05 0.27 -0.31 -0.97 -3.11 0.00 0.00 179.97 175.89 3klz h ASN 112 N 0.22 -0.78 -0.59 -3.80 -1.24 -0.98 -2.28 115.58 106.13 3klz h ASN 112 Ca 0.07 0.04 0.09 0.00 0.71 0.00 0.00 56.30 57.22 3klz h ASN 112 Cb 0.06 0.23 -0.07 0.00 0.73 0.00 0.00 38.32 39.27 3klz h ASN 112 CO -0.01 -0.50 0.20 -0.50 -1.29 0.00 0.00 177.43 175.33 3klz h TRP 113 N -0.79 0.35 -0.64 0.67 4.06 -1.03 -1.36 115.95 117.21 3klz h TRP 113 Ca -0.06 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3klz h TRP 113 Cb 0.64 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 3klz h TRP 113 CO -0.09 0.07 0.38 1.15 -3.56 0.00 0.00 178.44 176.39 3klz h THR 114 N 0.37 1.19 -0.42 1.49 2.02 -1.02 0.20 112.91 116.74 3klz h THR 114 Ca 0.30 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3klz h THR 114 Cb 0.38 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3klz h THR 114 CO -0.32 0.20 0.09 0.58 0.37 0.00 0.00 175.52 176.44 3klz h VAL 115 N 0.86 1.24 -0.25 3.16 2.07 -0.82 -1.74 116.25 120.78 3klz h VAL 115 Ca 0.23 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3klz h VAL 115 Cb -0.01 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3klz h VAL 115 CO -0.04 0.29 -0.10 0.58 0.02 0.00 0.00 177.57 178.32 3klz h VAL 116 N 0.54 1.30 -0.41 2.57 2.07 -0.97 -1.13 116.25 120.21 3klz h VAL 116 Ca 0.13 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3klz h VAL 116 Cb 0.34 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3klz h VAL 116 CO 0.00 0.36 0.20 0.22 0.02 0.00 0.00 177.57 178.37 3klz h TYR 117 N 0.23 0.37 -0.15 1.57 3.20 -0.62 0.38 116.97 121.95 3klz h TYR 117 Ca 0.06 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3klz h TYR 117 Cb 0.59 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3klz h TYR 117 CO 0.06 0.19 -0.55 0.35 -1.64 0.00 0.00 178.16 176.57 3klz h PHE 118 N 0.41 0.56 -0.46 -3.82 3.57 -1.27 -1.95 116.94 113.98 3klz h PHE 118 Ca 0.18 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3klz h PHE 118 Cb 0.09 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3klz h PHE 118 CO -0.11 0.89 0.15 0.78 -2.23 0.00 0.00 178.31 177.80 3klz h GLY 119 N 1.18 0.76 0.76 2.40 0.00 -0.75 -1.05 103.07 106.37 3klz h GLY 119 Ca 0.01 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.93 3klz h GLY 119 CO 0.10 0.42 0.27 3.43 0.00 0.00 0.00 176.54 180.75 3klz h ASN 120 N 0.60 0.39 -0.25 0.19 2.35 -0.04 -1.04 115.58 117.80 3klz h ASN 120 Ca 0.15 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3klz h ASN 120 Cb 0.26 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3klz h ASN 120 CO -0.01 0.27 0.13 0.25 -1.65 0.00 0.00 177.43 176.42 3klz h LEU 121 N 0.52 0.19 -0.67 1.61 5.85 -1.27 -0.32 115.31 121.24 3klz h LEU 121 Ca 0.22 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3klz h LEU 121 Cb 0.11 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3klz h LEU 121 CO -0.14 0.15 0.43 0.00 -0.34 0.00 0.00 178.44 178.53 3klz h GLY 123 N 0.86 0.54 0.90 0.00 0.00 -1.03 -1.71 103.07 102.62 3klz h GLY 123 Ca 0.26 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3klz h GLY 123 CO -0.08 0.49 -0.03 1.76 0.00 0.00 0.00 176.54 178.69 3klz h SER 124 N 0.41 -0.06 -0.62 0.19 0.02 -0.52 -2.71 113.55 110.26 3klz h SER 124 Ca 0.03 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3klz h SER 124 Cb 0.91 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 3klz h SER 124 CO 0.08 0.06 0.12 0.40 -1.14 0.00 0.00 176.83 176.35 3klz h ILE 125 N -0.18 1.26 -0.47 3.27 1.08 -1.03 -1.09 117.51 120.35 3klz h ILE 125 Ca -0.01 -0.98 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 3klz h ILE 125 Cb 0.15 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 3klz h ILE 125 CO 0.01 0.37 0.16 0.40 -0.69 0.00 0.00 178.15 178.40 3klz h ILE 126 N 0.98 0.83 -0.58 -0.67 2.04 -1.31 -1.97 117.51 116.83 3klz h ILE 126 Ca 0.20 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3klz h ILE 126 Cb 0.39 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3klz h ILE 126 CO 0.01 0.06 0.11 0.25 0.00 0.00 0.00 178.15 178.58 3klz h LEU 127 N 0.33 0.87 -0.93 1.44 5.85 -1.07 -2.70 115.31 119.09 3klz h LEU 127 Ca 0.23 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3klz h LEU 127 Cb 0.24 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3klz h LEU 127 CO -0.24 0.86 0.56 0.58 -0.34 0.00 0.00 178.44 179.87 3klz h VAL 128 N 0.88 0.89 -0.07 1.05 2.07 -0.45 0.12 116.25 120.73 3klz h VAL 128 Ca 0.18 -0.30 -0.23 0.00 0.82 0.00 0.00 66.70 67.18 3klz h VAL 128 Cb 0.36 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3klz h VAL 128 CO 0.00 0.16 -0.84 -0.26 0.02 0.00 0.00 177.57 176.66 3klz h PHE 129 N 0.88 0.98 -0.44 1.57 0.04 -1.17 -1.17 116.94 117.64 3klz h PHE 129 Ca 0.47 -0.48 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3klz h PHE 129 Cb 0.49 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3klz h PHE 129 CO -0.03 1.31 0.17 0.82 -0.60 0.00 0.00 178.31 179.98 3klz h ILE 130 N 0.37 1.20 -0.62 -0.55 2.04 -1.27 -1.81 117.51 116.87 3klz h ILE 130 Ca -0.08 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3klz h ILE 130 Cb 1.49 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3klz h ILE 130 CO 0.17 0.23 0.24 0.24 0.00 0.00 0.00 178.15 179.03 3klz h MET 131 N 0.56 0.91 -0.45 2.37 2.86 -0.92 -1.87 114.93 118.38 3klz h MET 131 Ca 0.15 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3klz h MET 131 Cb 0.20 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3klz h MET 131 CO -0.01 0.75 0.27 -0.07 1.06 0.00 0.00 176.91 178.91 3klz h LEU 132 N 0.90 0.55 -2.16 1.22 3.38 -1.08 -2.59 115.31 115.53 3klz h LEU 132 Ca 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3klz h LEU 132 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3klz h LEU 132 CO -0.02 0.45 -0.07 0.00 0.09 0.00 0.00 178.44 178.89 3klz h ALA 133 N 1.13 1.36 0.00 1.53 0.00 -0.66 -1.14 119.26 121.47 3klz h ALA 133 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3klz h ALA 133 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3klz h ALA 133 CO -0.03 0.09 0.00 1.79 0.00 0.00 0.00 179.25 181.10 3klz h THR 134 N 0.00 0.00 -1.85 0.00 1.35 -0.95 -3.47 112.91 108.00 3klz h THR 134 Ca -0.00 -0.52 -0.42 0.00 -0.55 0.00 0.00 66.41 64.92 3klz h THR 134 Cb 0.20 1.44 -0.11 0.00 -1.73 0.00 0.00 68.15 67.95 3klz h THR 134 CO 0.01 0.00 -0.44 0.54 -0.25 0.00 0.00 175.52 175.38 3klz n ARG 135 N -2.74 -1.56 0.01 4.72 5.12 -0.43 -4.86 116.66 116.92 3klz n ARG 135 Ca 0.02 1.13 0.08 0.00 -1.93 0.00 0.00 57.85 57.15 3klz n ARG 135 Cb 0.34 -5.63 0.50 0.00 -1.16 0.00 0.00 32.46 26.52 3klz n ARG 135 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 3klz h GLN 136 N 0.00 0.38 -0.27 5.56 4.15 -1.82 -0.46 115.11 122.65 3klz h GLN 136 Ca -0.45 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.03 3klz h GLN 136 Cb 1.35 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 3klz h GLN 136 CO 0.60 0.25 0.44 0.27 -1.93 0.00 0.00 178.83 178.47 3klz h PHE 137 N 0.39 0.00 0.00 3.99 -5.15 -1.89 0.22 116.94 114.50 3klz h PHE 137 Ca 0.18 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.95 3klz h PHE 137 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.39 3klz h PHE 137 CO -0.00 0.00 0.00 0.52 -2.00 0.00 0.00 178.31 176.83 3klz h MET 138 N 0.00 0.00 -7.03 6.09 2.86 -1.41 -1.55 114.93 113.89 3klz h MET 138 Ca 0.13 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.21 3klz h MET 138 Cb 1.01 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.84 3klz h MET 138 CO -0.00 0.00 0.35 0.39 1.06 0.00 0.00 176.91 178.71 3klz n GLU 139 N -2.97 0.91 -3.72 1.72 -0.58 0.75 -0.91 120.64 115.84 3klz n GLU 139 Ca 0.01 0.36 -0.23 0.00 -0.42 0.00 0.00 57.16 56.89 3klz n GLU 139 Cb 0.31 -2.40 0.04 0.00 -0.57 0.00 0.00 31.44 28.81 3klz n GLU 139 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3klz n ASP 140 N -1.72 -2.09 -1.93 1.62 2.03 -1.26 -1.82 116.55 111.38 3klz n ASP 140 Ca 0.15 -0.79 -0.18 0.00 0.52 0.00 0.00 54.79 54.50 3klz n ASP 140 Cb 0.48 -4.14 -0.02 0.00 -0.72 0.00 0.00 41.12 36.72 3klz n ASP 140 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3klz n GLY 141 N -1.58 -0.10 2.38 0.27 0.00 -1.22 -1.41 105.19 103.53 3klz n GLY 141 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3klz n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3klz n GLY 142 N -0.99 1.30 0.24 -0.02 0.00 -0.09 -4.22 105.19 101.40 3klz n GLY 142 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3klz n GLY 142 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3klz h GLN 143 N 3.14 0.00 -0.16 1.61 1.08 -0.88 -0.83 115.11 119.08 3klz h GLN 143 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3klz h GLN 143 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3klz h GLN 143 CO 0.00 0.09 -0.01 1.25 -0.95 0.00 0.00 178.83 179.22 3klz h LEU 144 N 0.00 0.28 -0.71 1.46 6.46 -1.68 0.10 115.31 121.21 3klz h LEU 144 Ca -0.00 -0.32 0.05 0.00 -0.12 0.00 0.00 57.88 57.48 3klz h LEU 144 Cb 0.17 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 3klz h LEU 144 CO 0.01 0.54 0.43 1.23 -0.62 0.00 0.00 178.44 180.03 3klz h GLY 145 N 0.02 1.05 1.00 3.75 0.00 -0.67 -0.96 103.07 107.25 3klz h GLY 145 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3klz h GLY 145 CO 0.01 0.23 0.25 1.41 0.00 0.00 0.00 176.54 178.44 3klz h LEU 146 N 0.81 0.45 -0.13 3.11 3.38 -0.95 -1.47 115.31 120.50 3klz h LEU 146 Ca 0.30 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.28 3klz h LEU 146 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3klz h LEU 146 CO -0.15 0.33 -0.08 -1.13 0.09 0.00 0.00 178.44 177.51 3klz h ASN 147 N 0.52 -0.26 -0.39 -0.43 -1.24 -0.46 0.44 115.58 113.76 3klz h ASN 147 Ca 0.14 0.06 0.08 0.00 0.71 0.00 0.00 56.30 57.29 3klz h ASN 147 Cb -0.04 0.14 -0.08 0.00 0.73 0.00 0.00 38.32 39.06 3klz h ASN 147 CO -0.03 -0.11 -0.13 0.00 -1.29 0.00 0.00 177.43 175.87 3klz h ALA 148 N 1.03 0.20 -0.58 1.57 0.00 -0.91 0.24 119.26 120.81 3klz h ALA 148 Ca 0.08 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3klz h ALA 148 Cb 0.19 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3klz h ALA 148 CO -0.18 -0.49 0.24 0.52 0.00 0.00 0.00 179.25 179.34 3klz h MET 149 N -0.05 0.87 -0.56 0.00 2.86 -0.97 -1.77 114.93 115.31 3klz h MET 149 Ca 0.19 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3klz h MET 149 Cb 0.34 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3klz h MET 149 CO -0.43 0.74 0.15 0.00 1.06 0.00 0.00 176.91 178.43 3klz h ALA 150 N 1.08 0.74 -0.48 6.32 0.00 -0.29 0.13 119.26 126.75 3klz h ALA 150 Ca 0.20 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3klz h ALA 150 Cb 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3klz h ALA 150 CO -0.02 0.43 0.18 0.82 0.00 0.00 0.00 179.25 180.66 3klz h ILE 151 N 0.79 0.85 -0.15 0.00 2.04 -0.36 -2.31 117.51 118.38 3klz h ILE 151 Ca 0.18 -0.13 -0.22 0.00 1.00 0.00 0.00 64.86 65.70 3klz h ILE 151 Cb 0.32 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3klz h ILE 151 CO -0.00 0.07 -0.75 0.28 0.00 0.00 0.00 178.15 177.75 3klz h SER 152 N 0.37 0.92 -0.90 1.72 0.02 -0.84 -3.20 113.55 111.63 3klz h SER 152 Ca 0.23 -0.63 0.12 0.00 -0.84 0.00 0.00 61.79 60.67 3klz h SER 152 Cb 0.23 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.41 3klz h SER 152 CO -0.22 1.40 0.53 1.56 -1.14 0.00 0.00 176.83 178.96 3klz h GLN 153 N 0.51 0.81 0.00 3.45 4.20 -0.67 0.49 115.11 123.89 3klz h GLN 153 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3klz h GLN 153 Cb 1.38 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3klz h GLN 153 CO 0.15 0.54 0.00 1.25 -0.67 0.00 0.00 178.83 180.10 3klz h HIS 154 N 0.83 0.00 0.00 2.96 2.76 -1.42 -1.50 115.15 118.79 3klz h HIS 154 Ca 0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 3klz h HIS 154 Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3klz h HIS 154 CO -0.04 0.00 -0.26 1.63 -1.30 0.00 0.00 177.93 177.95 3klz n LYS 155 N -2.99 0.05 -0.28 5.26 5.02 0.15 -4.18 118.16 121.19 3klz n LYS 155 Ca -0.01 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 3klz n LYS 155 Cb 0.19 -1.54 0.25 0.00 -0.02 0.00 0.00 35.03 33.90 3klz n LYS 155 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3klz n LEU 156 N -1.62 3.50 -0.47 -0.35 4.77 -0.56 -4.43 117.00 117.84 3klz n LEU 156 Ca 0.06 -1.96 0.06 0.00 -0.03 0.00 0.00 56.01 54.14 3klz n LEU 156 Cb 0.35 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.19 3klz n LEU 156 CO 0.31 0.87 0.39 1.41 -1.33 0.00 0.00 177.39 179.04 3klz n HIS 157 N 1.18 0.00 -2.50 -1.77 8.25 -1.25 -4.94 115.22 114.19 3klz n HIS 157 Ca 0.19 -0.88 -0.33 0.00 -0.26 0.00 0.00 57.72 56.44 3klz n HIS 157 Cb 0.54 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 3klz n HIS 157 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3klz s HIS 158 N -2.08 3.25 0.84 4.41 3.76 -1.26 -5.06 115.29 119.16 3klz s HIS 158 Ca 0.28 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.62 3klz s HIS 158 Cb 0.26 -2.90 0.10 0.00 1.11 0.00 0.00 32.58 31.16 3klz s HIS 158 CO -0.03 -0.50 1.10 0.95 -0.85 0.00 0.00 174.74 175.42 3klz s THR 159 N -2.34 2.86 0.14 1.30 -4.23 -1.26 -4.81 115.64 107.30 3klz s THR 159 Ca 0.62 0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 61.20 3klz s THR 159 Cb -0.12 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3klz s THR 159 CO 0.24 -0.36 1.67 0.15 -0.54 0.00 0.00 174.62 175.78 3klz h PHE 160 N -1.44 -0.32 -0.63 3.99 3.04 -1.97 -0.76 116.94 118.84 3klz h PHE 160 Ca -0.45 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.54 3klz h PHE 160 Cb 1.25 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.90 3klz h PHE 160 CO 0.52 -0.20 0.42 1.25 -2.02 0.00 0.00 178.31 178.28 3klz h LEU 161 N -0.12 0.71 -0.16 0.59 5.85 -1.99 -1.48 115.31 118.69 3klz h LEU 161 Ca 0.12 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3klz h LEU 161 Cb 0.30 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3klz h LEU 161 CO -0.28 0.51 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.55 3klz h GLN 162 N 0.83 0.40 -0.27 1.25 4.15 -1.77 -1.03 115.11 118.67 3klz h GLN 162 Ca 0.24 -0.21 0.04 0.00 0.77 0.00 0.00 58.65 59.49 3klz h GLN 162 Cb -0.06 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 3klz h GLN 162 CO -0.06 0.77 0.03 0.00 -1.93 0.00 0.00 178.83 177.65 3klz h ALA 163 N 0.62 0.26 -0.31 3.38 0.00 -0.90 0.75 119.26 123.06 3klz h ALA 163 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3klz h ALA 163 Cb 0.70 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3klz h ALA 163 CO 0.04 -0.39 -0.03 0.35 0.00 0.00 0.00 179.25 179.22 3klz h PHE 164 N 0.12 -0.08 -0.73 0.00 3.57 -1.23 0.05 116.94 118.64 3klz h PHE 164 Ca 0.12 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 3klz h PHE 164 Cb 0.14 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3klz h PHE 164 CO -0.18 -0.09 0.23 0.00 -2.23 0.00 0.00 178.31 176.04 3klz h ALA 165 N 1.29 1.02 -0.30 2.41 0.00 -0.76 0.43 119.26 123.34 3klz h ALA 165 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3klz h ALA 165 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3klz h ALA 165 CO -0.28 0.66 0.06 -0.07 0.00 0.00 0.00 179.25 179.62 3klz h LEU 166 N 1.09 0.40 -0.11 0.00 3.38 -0.51 -1.12 115.31 118.44 3klz h LEU 166 Ca 0.24 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 3klz h LEU 166 Cb 0.30 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3klz h LEU 166 CO -0.01 0.42 -0.97 1.23 0.09 0.00 0.00 178.44 179.20 3klz h GLY 167 N 0.67 0.63 0.96 0.83 0.00 0.22 -1.67 103.07 104.71 3klz h GLY 167 Ca 0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3klz h GLY 167 CO -0.00 0.96 -0.17 -2.00 0.00 0.00 0.00 176.54 175.32 3klz h LEU 168 N 0.33 -0.42 -0.43 3.11 7.12 0.02 -2.90 115.31 122.13 3klz h LEU 168 Ca -0.10 0.02 0.03 0.00 0.13 0.00 0.00 57.88 57.97 3klz h LEU 168 Cb 1.61 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 41.82 3klz h LEU 168 CO 0.18 -0.28 0.22 0.24 -0.13 0.00 0.00 178.44 178.66 3klz h MET 169 N -0.46 0.43 -0.46 1.25 2.86 -1.25 -1.92 114.93 115.38 3klz h MET 169 Ca -0.04 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 3klz h MET 169 Cb 0.37 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 3klz h MET 169 CO 0.05 0.28 -0.02 0.00 1.06 0.00 0.00 176.91 178.29 3klz h ASN 171 N 0.09 0.00 -0.38 0.00 -1.24 -1.37 -0.32 115.58 112.36 3klz h ASN 171 Ca 0.23 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 3klz h ASN 171 Cb 0.34 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 3klz h ASN 171 CO -0.39 0.04 0.19 0.40 -1.29 0.00 0.00 177.43 176.38 3klz h ILE 172 N 0.00 1.17 -0.20 2.57 2.04 -0.82 -1.45 117.51 120.82 3klz h ILE 172 Ca 0.00 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3klz h ILE 172 Cb 0.76 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3klz h ILE 172 CO 0.00 0.18 -0.03 -0.07 0.00 0.00 0.00 178.15 178.22 3klz h LEU 173 N 0.48 0.37 -0.49 1.44 -0.00 -0.90 -1.47 115.31 114.74 3klz h LEU 173 Ca 0.13 -0.35 -0.04 0.00 -0.00 0.00 0.00 57.88 57.62 3klz h LEU 173 Cb 0.11 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 3klz h LEU 173 CO -0.02 0.63 0.15 0.58 -0.00 0.00 0.00 178.44 179.78 3klz h VAL 174 N 0.10 1.23 -0.23 1.22 2.07 -1.11 -0.64 116.25 118.89 3klz h VAL 174 Ca 0.05 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 3klz h VAL 174 Cb 0.46 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3klz h VAL 174 CO 0.02 0.28 -0.33 0.00 0.02 0.00 0.00 177.57 177.56 3klz h LEU 176 N 0.41 0.48 0.71 0.00 3.38 -0.94 -2.06 115.31 117.30 3klz h LEU 176 Ca 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3klz h LEU 176 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3klz h LEU 176 CO 0.06 0.43 -0.45 0.00 0.09 0.00 0.00 178.44 178.57 3klz h ALA 177 N 1.07 -1.13 -0.77 1.53 0.00 -0.84 -2.14 119.26 116.98 3klz h ALA 177 Ca 0.13 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3klz h ALA 177 Cb 0.06 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3klz h ALA 177 CO -0.02 -1.15 0.46 0.28 0.00 0.00 0.00 179.25 178.82 3klz h VAL 178 N -1.09 1.04 -0.60 0.00 2.07 -1.17 -2.37 116.25 114.12 3klz h VAL 178 Ca -0.09 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.20 3klz h VAL 178 Cb 0.88 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3klz h VAL 178 CO 0.09 0.16 0.28 -0.25 0.02 0.00 0.00 177.57 177.86 3klz h TRP 179 N 0.87 0.50 -0.03 1.57 2.91 -1.31 -1.26 115.95 119.20 3klz h TRP 179 Ca 0.33 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.38 3klz h TRP 179 Cb 0.13 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3klz h TRP 179 CO -0.05 0.20 0.03 0.52 -1.03 0.00 0.00 178.44 178.11 3klz h MET 180 N 0.51 0.00 0.00 2.65 2.86 -0.84 -0.02 114.93 120.08 3klz h MET 180 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3klz h MET 180 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3klz h MET 180 CO -0.23 0.00 0.00 0.25 1.06 0.00 0.00 176.91 177.99 3klz n THR 181 N -3.87 0.47 0.19 2.22 -2.24 -0.48 -3.36 114.28 107.21 3klz n THR 181 Ca -0.02 -0.04 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 3klz n THR 181 Cb 0.12 -0.69 0.47 0.00 -2.10 0.00 0.00 70.33 68.12 3klz n THR 181 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3klz h PHE 182 N 0.00 0.07 -0.30 4.78 0.04 -0.98 -1.84 116.94 118.71 3klz h PHE 182 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3klz h PHE 182 Cb 0.53 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3klz h PHE 182 CO 0.00 0.24 0.00 -1.13 -0.60 0.00 0.00 178.31 176.82 3klz n SER 183 N -4.30 2.12 -4.77 2.17 3.41 -1.21 -4.94 113.62 106.09 3klz n SER 183 Ca -0.02 -1.86 -0.39 0.00 -0.26 0.00 0.00 58.87 56.33 3klz n SER 183 Cb 0.25 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3klz n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3klz s ALA 184 N -1.61 3.28 -0.26 7.33 0.00 -0.69 -4.97 121.76 124.84 3klz s ALA 184 Ca 0.31 1.14 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 3klz s ALA 184 Cb 0.17 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.72 3klz s ALA 184 CO 0.24 -0.66 -0.31 -2.13 0.00 0.00 0.00 175.76 172.90 3klz n ARG 185 N 0.31 0.57 -4.52 0.00 0.00 -1.26 -5.06 116.66 106.70 3klz n ARG 185 Ca 0.03 0.22 -0.29 0.00 -0.00 0.00 0.00 57.85 57.81 3klz n ARG 185 Cb 0.44 -1.45 -0.08 0.00 0.00 0.00 0.00 32.46 31.36 3klz n ARG 185 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3klz s SER 186 N -7.12 4.13 0.20 6.15 1.04 -1.26 -5.04 113.70 111.80 3klz s SER 186 Ca -0.36 -1.41 -0.09 0.00 0.48 0.00 0.00 55.95 54.58 3klz s SER 186 Cb 0.13 -0.03 0.12 0.00 0.10 0.00 0.00 66.02 66.34 3klz s SER 186 CO 0.49 -0.66 1.73 -0.07 0.98 0.00 0.00 173.24 175.72 3klz h LEU 187 N 1.48 1.07 -0.59 2.42 3.38 -2.00 -2.87 115.31 118.20 3klz h LEU 187 Ca -0.43 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.39 3klz h LEU 187 Cb 1.27 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3klz h LEU 187 CO 0.75 1.00 0.29 0.74 0.09 0.00 0.00 178.44 181.31 3klz h THR 188 N 1.08 0.91 -0.87 0.22 2.02 -1.99 0.14 112.91 114.43 3klz h THR 188 Ca 0.23 -0.19 0.15 0.00 0.77 0.00 0.00 66.41 67.38 3klz h THR 188 Cb 0.32 0.32 -0.10 0.00 -1.74 0.00 0.00 68.15 66.96 3klz h THR 188 CO -0.01 0.10 0.46 0.44 0.37 0.00 0.00 175.52 176.89 3klz h ASP 189 N 0.54 0.57 -0.02 4.18 3.32 -1.92 0.48 116.42 123.58 3klz h ASP 189 Ca 0.27 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 3klz h ASP 189 Cb 0.22 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3klz h ASP 189 CO -0.20 0.24 -0.19 0.11 -1.72 0.00 0.00 179.24 177.47 3klz h LYS 190 N 0.65 0.17 -0.71 3.56 1.57 -1.04 -2.78 116.57 117.99 3klz h LYS 190 Ca 0.48 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 59.18 3klz h LYS 190 Cb 0.68 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3klz h LYS 190 CO -0.36 0.85 0.39 0.28 -0.57 0.00 0.00 179.45 180.03 3klz h VAL 191 N -0.45 0.92 0.00 0.50 2.07 -0.83 -1.64 116.25 116.82 3klz h VAL 191 Ca -0.02 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3klz h VAL 191 Cb 0.90 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3klz h VAL 191 CO 0.04 0.12 -0.25 0.24 0.02 0.00 0.00 177.57 177.74 3klz h MET 192 N 0.68 0.00 0.00 1.57 2.86 -0.87 -2.25 114.93 116.92 3klz h MET 192 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3klz h MET 192 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3klz h MET 192 CO -0.22 0.25 -0.95 1.33 1.06 0.00 0.00 176.91 178.38 3klz n VAL 193 N -3.77 0.08 0.05 -2.22 0.24 -1.05 -4.47 118.33 107.18 3klz n VAL 193 Ca -0.01 -0.13 -0.18 0.00 -2.04 0.00 0.00 64.34 61.97 3klz n VAL 193 Cb 0.35 0.43 -0.14 0.00 -1.47 0.00 0.00 33.84 33.01 3klz n VAL 193 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3klz h LEU 194 N 0.00 0.42 0.38 1.34 3.38 -0.72 -3.41 115.31 116.70 3klz h LEU 194 Ca 0.00 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 3klz h LEU 194 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3klz h LEU 194 CO 0.00 1.56 -0.18 0.40 0.09 0.00 0.00 178.44 180.30 3klz h ILE 195 N 0.07 0.63 -0.19 1.22 2.04 -1.69 -2.83 117.51 116.77 3klz h ILE 195 Ca -0.30 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3klz h ILE 195 Cb 2.04 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3klz h ILE 195 CO 0.15 0.04 0.11 -0.07 0.00 0.00 0.00 178.15 178.38 3klz h LEU 196 N -0.63 0.22 -1.14 1.44 3.38 -1.85 0.55 115.31 117.29 3klz h LEU 196 Ca -0.05 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3klz h LEU 196 Cb 0.46 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3klz h LEU 196 CO 0.09 0.20 0.57 -0.65 0.09 0.00 0.00 178.44 178.74 3klz h PRO 197 N 0.22 1.15 0.10 1.13 0.11 -1.78 0.26 132.00 133.19 3klz h PRO 197 Ca 0.07 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3klz h PRO 197 Cb 0.02 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.87 3klz h PRO 197 CO -0.01 0.76 -0.05 0.28 -0.21 0.00 0.00 178.00 178.77 3klz h VAL 198 N 1.18 1.12 -0.97 3.15 2.07 -1.34 -1.77 116.25 119.69 3klz h VAL 198 Ca 0.32 -1.05 0.24 0.00 0.82 0.00 0.00 66.70 67.03 3klz h VAL 198 Cb -0.13 1.77 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 3klz h VAL 198 CO -0.07 0.25 0.53 0.00 0.02 0.00 0.00 177.57 178.30 3klz h ALA 199 N 0.16 1.68 0.25 1.67 0.00 -0.64 -0.80 119.26 121.59 3klz h ALA 199 Ca -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3klz h ALA 199 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3klz h ALA 199 CO 0.02 -0.30 -0.12 1.98 0.00 0.00 0.00 179.25 180.84 3klz h MET 200 N 0.52 -0.32 -0.66 0.00 -1.53 -0.38 -1.58 114.93 110.99 3klz h MET 200 Ca 0.62 0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.86 3klz h MET 200 Cb 1.18 0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 32.28 3klz h MET 200 CO -0.49 0.00 0.25 0.27 0.14 0.00 0.00 176.91 177.08 3klz h PHE 201 N -0.66 1.01 -0.04 1.39 -5.15 -0.72 -2.14 116.94 110.64 3klz h PHE 201 Ca -0.03 -0.08 -0.00 0.00 -0.20 0.00 0.00 57.97 57.65 3klz h PHE 201 Cb 0.47 -0.30 -0.00 0.00 0.22 0.00 0.00 35.95 36.33 3klz h PHE 201 CO 0.03 0.80 0.01 0.28 -2.00 0.00 0.00 178.31 177.43 3klz h VAL 202 N 0.93 1.18 0.00 0.88 2.07 -1.22 -0.50 116.25 119.58 3klz h VAL 202 Ca 0.22 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3klz h VAL 202 Cb 0.23 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3klz h VAL 202 CO -0.02 0.14 0.00 0.77 0.02 0.00 0.00 177.57 178.49 3klz h SER 203 N -0.15 0.00 0.20 0.57 4.64 -1.17 -0.96 113.55 116.69 3klz h SER 203 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3klz h SER 203 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3klz h SER 203 CO -0.00 0.00 -0.24 -1.20 -0.87 0.00 0.00 176.83 174.52 3klz n SER 204 N -2.62 1.14 -1.14 4.97 7.64 -0.82 -4.87 113.62 117.91 3klz n SER 204 Ca 0.01 -0.99 -0.12 0.00 1.01 0.00 0.00 58.87 58.78 3klz n SER 204 Cb 0.23 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 3klz n SER 204 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3klz n GLY 205 N 1.33 0.63 3.76 0.23 0.00 -0.36 -5.00 105.19 105.78 3klz n GLY 205 Ca 0.13 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 3klz n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3klz s PHE 206 N -2.52 2.57 -0.25 1.61 0.08 -0.22 -4.98 117.98 114.28 3klz s PHE 206 Ca 0.00 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.48 3klz s PHE 206 Cb 0.00 -3.43 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3klz s PHE 206 CO 0.00 -1.92 0.10 -1.21 -0.10 0.00 0.00 175.22 172.09 3klz s GLU 207 N -3.14 3.74 -0.28 0.44 0.41 -0.70 -4.71 118.70 114.46 3klz s GLU 207 Ca 0.72 -0.43 -0.10 0.00 -0.41 0.00 0.00 54.97 54.76 3klz s GLU 207 Cb -0.29 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.63 3klz s GLU 207 CO 0.33 -0.16 0.14 -1.58 -0.49 0.00 0.00 175.26 173.50 3klz s HIS 208 N 1.59 3.16 0.25 1.61 5.65 -1.26 -4.22 115.29 122.07 3klz s HIS 208 Ca 0.06 -0.24 -0.04 0.00 0.25 0.00 0.00 55.06 55.09 3klz s HIS 208 Cb -0.15 -2.33 0.37 0.00 -1.18 0.00 0.00 32.58 29.28 3klz s HIS 208 CO 0.05 -0.31 1.86 0.00 -0.65 0.00 0.00 174.74 175.69 3klz h ILE 210 N 1.02 1.33 -0.89 0.00 1.08 -1.99 -2.46 117.51 115.60 3klz h ILE 210 Ca 0.40 -1.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.26 3klz h ILE 210 Cb 0.20 1.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 3klz h ILE 210 CO -0.18 0.50 0.59 0.00 -0.69 0.00 0.00 178.15 178.37 3klz h ALA 211 N 0.60 1.39 0.00 1.87 0.00 -1.87 -1.03 119.26 120.22 3klz h ALA 211 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3klz h ALA 211 Cb 0.99 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3klz h ALA 211 CO 0.09 0.56 -0.14 -0.91 0.00 0.00 0.00 179.25 178.84 3klz h ASN 212 N 1.18 0.00 0.21 0.00 2.35 -1.16 0.20 115.58 118.36 3klz h ASN 212 Ca 0.33 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.03 3klz h ASN 212 Cb -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3klz h ASN 212 CO -0.08 0.14 -0.22 0.24 -1.65 0.00 0.00 177.43 175.87 3klz h MET 213 N 0.00 0.02 0.00 0.81 2.86 -0.70 -1.29 114.93 116.64 3klz h MET 213 Ca -0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3klz h MET 213 Cb 0.25 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3klz h MET 213 CO 0.02 0.24 -0.13 0.35 1.06 0.00 0.00 176.91 178.45 3klz h PHE 214 N 0.02 0.00 0.00 -0.22 3.57 -1.33 -3.39 116.94 115.59 3klz h PHE 214 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3klz h PHE 214 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3klz h PHE 214 CO 0.00 0.64 -0.00 0.37 -2.23 0.00 0.00 178.31 177.09 3klz h GLN 215 N -1.00 -0.01 -0.09 1.11 5.75 -0.64 0.13 115.11 120.36 3klz h GLN 215 Ca -0.03 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3klz h GLN 215 Cb 0.65 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 3klz h GLN 215 CO -0.02 0.12 -0.03 0.28 -2.65 0.00 0.00 178.83 176.53 3klz h VAL 216 N -0.13 1.31 0.00 2.39 2.07 -1.50 -2.39 116.25 118.01 3klz h VAL 216 Ca -0.00 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3klz h VAL 216 Cb 0.13 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3klz h VAL 216 CO 0.00 0.28 -0.14 -0.65 0.02 0.00 0.00 177.57 177.09 3klz h PRO 217 N -0.18 0.00 -0.43 1.57 0.11 -1.70 -0.90 132.00 130.47 3klz h PRO 217 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3klz h PRO 217 Cb 0.46 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3klz h PRO 217 CO 0.01 0.14 0.24 1.98 -0.21 0.00 0.00 178.00 180.16 3klz h MET 218 N 0.00 0.59 -0.59 1.05 4.05 -0.54 -0.53 114.93 118.96 3klz h MET 218 Ca -0.00 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 3klz h MET 218 Cb 0.27 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 3klz h MET 218 CO 0.02 0.46 0.09 0.00 0.23 0.00 0.00 176.91 177.71 3klz h ALA 219 N 1.10 0.79 -0.81 0.39 0.00 -0.75 -0.51 119.26 119.46 3klz h ALA 219 Ca 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3klz h ALA 219 Cb 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3klz h ALA 219 CO -0.03 0.54 0.38 0.82 0.00 0.00 0.00 179.25 180.97 3klz h ILE 220 N 0.89 1.26 -0.74 0.00 2.04 -1.08 -0.90 117.51 118.98 3klz h ILE 220 Ca 0.18 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3klz h ILE 220 Cb 0.43 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3klz h ILE 220 CO 0.01 0.31 0.29 1.23 0.00 0.00 0.00 178.15 180.00 3klz h GLY 221 N 1.16 1.19 0.74 5.37 0.00 -0.52 -2.31 103.07 108.71 3klz h GLY 221 Ca 0.28 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3klz h GLY 221 CO -0.03 0.61 0.00 -2.22 0.00 0.00 0.00 176.54 174.90 3klz h ILE 222 N 1.07 1.24 -0.93 2.60 2.04 -0.77 -0.84 117.51 121.92 3klz h ILE 222 Ca 0.25 -0.76 0.26 0.00 1.00 0.00 0.00 64.86 65.61 3klz h ILE 222 Cb 0.22 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 37.77 3klz h ILE 222 CO -0.02 0.21 0.37 0.50 0.00 0.00 0.00 178.15 179.21 3klz h LYS 223 N -0.16 0.27 0.19 2.37 3.64 -1.03 0.25 116.57 122.11 3klz h LYS 223 Ca 0.02 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.04 3klz h LYS 223 Cb 0.33 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3klz h LYS 223 CO 0.00 0.18 -1.69 -0.92 -2.27 0.00 0.00 179.45 174.75 3klz h TYR 224 N 0.28 0.73 0.00 1.91 3.20 -1.16 -3.39 116.97 118.54 3klz h TYR 224 Ca 0.62 -0.54 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3klz h TYR 224 Cb 1.31 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3klz h TYR 224 CO -0.16 1.63 -1.50 1.19 -1.64 0.00 0.00 178.16 177.67 3klz n PHE 225 N -3.60 0.24 -1.69 -3.82 3.72 -0.34 -4.91 117.46 107.06 3klz n PHE 225 Ca -0.23 0.07 -0.44 0.00 -0.05 0.00 0.00 57.45 56.80 3klz n PHE 225 Cb 1.08 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 3klz n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3klz n ALA 226 N -2.08 1.75 -1.11 4.37 0.00 0.06 -4.95 120.51 118.54 3klz n ALA 226 Ca -0.01 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3klz n ALA 226 Cb 0.51 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.72 3klz n ALA 226 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3klz s PRO 227 N 0.25 1.38 0.48 0.00 0.05 -1.26 -4.90 135.00 131.00 3klz s PRO 227 Ca 0.72 1.01 0.14 0.00 0.05 0.00 0.00 61.00 62.92 3klz s PRO 227 Cb -0.61 -1.81 1.13 0.00 0.05 0.00 0.00 34.50 33.27 3klz s PRO 227 CO 0.43 -2.21 2.10 0.93 0.05 0.00 0.00 177.00 178.29 3klz h GLU 228 N -1.54 0.20 -0.11 4.56 4.39 -2.00 -1.02 114.58 119.06 3klz h GLU 228 Ca -0.48 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 3klz h GLU 228 Cb 1.27 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3klz h GLU 228 CO 0.52 0.13 -0.11 0.66 -1.16 0.00 0.00 179.01 179.05 3klz h SER 229 N 0.21 0.16 -0.52 1.42 4.64 -1.99 -1.53 113.55 115.95 3klz h SER 229 Ca 0.09 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3klz h SER 229 Cb 0.11 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 3klz h SER 229 CO -0.02 0.29 0.34 0.15 -0.87 0.00 0.00 176.83 176.72 3klz h PHE 230 N 0.17 0.65 -0.13 4.77 3.04 -1.53 -0.47 116.94 123.44 3klz h PHE 230 Ca 0.04 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.86 3klz h PHE 230 Cb 0.30 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 3klz h PHE 230 CO 0.00 0.41 -0.52 -1.49 -2.02 0.00 0.00 178.31 174.70 3klz h TRP 231 N 0.70 0.45 -0.17 0.41 4.06 -1.39 -2.39 115.95 117.63 3klz h TRP 231 Ca 0.19 -0.15 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 3klz h TRP 231 Cb -0.08 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 3klz h TRP 231 CO -0.04 0.81 -0.32 0.00 -3.56 0.00 0.00 178.44 175.33 3klz h ALA 232 N 1.16 0.27 0.00 1.49 0.00 -1.01 -1.19 119.26 119.98 3klz h ALA 232 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3klz h ALA 232 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3klz h ALA 232 CO 0.09 0.31 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 3klz h MET 233 N 0.16 0.00 0.00 0.00 -0.00 -1.07 -3.17 114.93 110.85 3klz h MET 233 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 3klz h MET 233 Cb 0.92 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.51 3klz h MET 233 CO 0.07 0.34 -0.65 1.79 -0.00 0.00 0.00 176.91 178.46 3klz h THR 234 N 0.00 0.09 0.00 -0.10 1.35 -1.47 -3.48 112.91 109.30 3klz h THR 234 Ca -0.01 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3klz h THR 234 Cb 1.27 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3klz h THR 234 CO 0.04 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3klz n GLY 235 N 1.17 1.72 3.79 5.82 0.00 -0.46 -5.02 105.19 112.22 3klz n GLY 235 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3klz n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3klz s ALA 236 N -3.32 1.69 0.11 4.61 0.00 -1.20 -5.00 121.76 118.65 3klz s ALA 236 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 3klz s ALA 236 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3klz s ALA 236 CO 0.00 -2.53 0.15 0.54 0.00 0.00 0.00 175.76 173.92 3klz s ASN 237 N -4.20 0.20 0.24 0.00 2.20 -1.26 -4.69 114.94 107.43 3klz s ASN 237 Ca 0.67 -0.87 0.02 0.00 -0.94 0.00 0.00 52.86 51.74 3klz s ASN 237 Cb -0.11 0.33 0.26 0.00 -2.00 0.00 0.00 41.25 39.73 3klz s ASN 237 CO 0.54 -0.75 1.59 -0.29 -2.94 0.00 0.00 177.10 175.24 3klz h ILE 238 N 2.78 1.34 -0.08 0.54 2.10 -1.99 -2.39 117.51 119.82 3klz h ILE 238 Ca -0.34 -1.76 0.02 0.00 1.08 0.00 0.00 64.86 63.86 3klz h ILE 238 Cb 1.20 1.80 -0.00 0.00 -1.09 0.00 0.00 36.82 38.73 3klz h ILE 238 CO 0.56 0.53 0.13 0.00 -1.08 0.00 0.00 178.15 178.30 3klz h ALA 239 N 1.17 1.51 0.00 0.18 0.00 -2.02 0.68 119.26 120.79 3klz h ALA 239 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3klz h ALA 239 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3klz h ALA 239 CO 0.09 -0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.20 3klz n GLN 240 N -3.54 0.45 -0.95 0.00 6.02 -0.90 -3.14 117.38 115.32 3klz n GLN 240 Ca -0.01 0.05 0.05 0.00 -0.01 0.00 0.00 57.00 57.08 3klz n GLN 240 Cb 0.22 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.09 3klz n GLN 240 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3klz n TYR 241 N -1.14 0.00 -0.00 1.08 4.01 0.23 -4.77 117.16 116.57 3klz n TYR 241 Ca 0.12 -0.90 0.11 0.00 -0.16 0.00 0.00 57.90 57.07 3klz n TYR 241 Cb 0.11 -0.18 0.53 0.00 -0.31 0.00 0.00 39.34 39.49 3klz n TYR 241 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3klz h ALA 242 N 0.85 2.01 0.00 -0.72 0.00 -1.59 -1.45 119.26 118.36 3klz h ALA 242 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3klz h ALA 242 Cb 1.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3klz h ALA 242 CO 0.04 -0.11 0.00 0.38 0.00 0.00 0.00 179.25 179.57 3klz h ASP 243 N 0.33 0.00 -1.64 0.00 2.03 -1.88 -3.38 116.42 111.88 3klz h ASP 243 Ca 0.21 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.83 3klz h ASP 243 Cb 0.40 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.76 3klz h ASP 243 CO -0.05 0.00 1.50 -0.76 -1.03 0.00 0.00 179.24 178.90 3klz s LEU 244 N -5.48 4.38 0.14 0.15 1.02 -0.55 -4.77 118.68 113.57 3klz s LEU 244 Ca -0.02 -2.29 -0.13 0.00 0.02 0.00 0.00 54.13 51.71 3klz s LEU 244 Cb 0.10 -2.49 0.02 0.00 0.02 0.00 0.00 46.19 43.84 3klz s LEU 244 CO 0.38 -1.10 0.35 0.54 0.02 0.00 0.00 176.35 176.55 3klz s ASN 245 N 3.87 -0.10 0.17 2.29 2.20 -1.26 -4.81 114.94 117.30 3klz s ASN 245 Ca 0.44 -0.54 -0.10 0.00 -0.94 0.00 0.00 52.86 51.72 3klz s ASN 245 Cb -0.01 0.46 0.07 0.00 -2.00 0.00 0.00 41.25 39.76 3klz s ASN 245 CO -0.02 -0.87 1.66 -0.26 -2.94 0.00 0.00 177.10 174.66 3klz h PHE 246 N 2.45 1.07 -0.05 1.54 0.04 -1.97 -1.14 116.94 118.88 3klz h PHE 246 Ca -0.32 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.31 3klz h PHE 246 Cb 1.24 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 3klz h PHE 246 CO 0.37 0.92 -0.07 0.28 -0.60 0.00 0.00 178.31 179.21 3klz h VAL 247 N 0.90 0.82 -0.44 -0.55 2.07 -1.98 -0.66 116.25 116.40 3klz h VAL 247 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 3klz h VAL 247 Cb 0.44 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3klz h VAL 247 CO 0.01 0.00 0.04 0.78 0.02 0.00 0.00 177.57 178.43 3klz h ASN 248 N -0.09 -0.09 -0.02 0.57 4.21 -1.81 -0.92 115.58 117.43 3klz h ASN 248 Ca 0.04 0.09 0.02 0.00 1.21 0.00 0.00 56.30 57.67 3klz h ASN 248 Cb 0.15 0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 3klz h ASN 248 CO -0.10 -0.01 -0.11 0.15 -1.29 0.00 0.00 177.43 176.06 3klz h PHE 249 N 0.16 -0.28 -0.02 1.19 3.57 -0.69 0.14 116.94 121.01 3klz h PHE 249 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3klz h PHE 249 Cb 0.30 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3klz h PHE 249 CO -0.25 -0.17 -0.01 0.82 -2.23 0.00 0.00 178.31 176.47 3klz h ILE 250 N -0.18 1.32 -0.06 1.41 2.04 -0.99 0.81 117.51 121.86 3klz h ILE 250 Ca 0.05 -0.96 -0.24 0.00 1.00 0.00 0.00 64.86 64.70 3klz h ILE 250 Cb 0.24 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3klz h ILE 250 CO -0.13 0.26 -0.92 0.58 0.00 0.00 0.00 178.15 177.93 3klz h VAL 251 N -0.35 1.29 0.00 1.67 2.07 -1.14 -1.89 116.25 117.90 3klz h VAL 251 Ca 0.01 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.37 3klz h VAL 251 Cb 0.42 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3klz h VAL 251 CO 0.00 0.67 -1.28 0.59 0.02 0.00 0.00 177.57 177.57 3klz n ASN 252 N -3.87 0.52 0.08 0.57 3.02 0.50 -4.66 115.26 111.42 3klz n ASN 252 Ca -0.09 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3klz n ASN 252 Cb 0.82 1.11 0.00 0.00 -0.61 0.00 0.00 39.78 41.10 3klz n ASN 252 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3klz n ASN 253 N -2.05 0.58 -0.12 6.41 5.15 -0.27 -4.72 115.26 120.23 3klz n ASN 253 Ca 0.00 0.25 -0.04 0.00 -0.60 0.00 0.00 54.58 54.19 3klz n ASN 253 Cb 0.47 -0.05 0.02 0.00 -0.53 0.00 0.00 39.78 39.69 3klz n ASN 253 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3klz h LEU 254 N 0.00 -0.29 0.83 1.20 6.46 -0.84 0.37 115.31 123.04 3klz h LEU 254 Ca 0.00 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3klz h LEU 254 Cb 0.00 0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.16 3klz h LEU 254 CO 0.00 -0.10 -0.40 0.40 -0.62 0.00 0.00 178.44 177.72 3klz h ILE 255 N 0.04 0.06 -0.82 4.05 2.04 -1.61 -0.80 117.51 120.48 3klz h ILE 255 Ca 0.20 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3klz h ILE 255 Cb 0.30 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3klz h ILE 255 CO -0.39 0.00 0.52 -0.65 0.00 0.00 0.00 178.15 177.64 3klz h PRO 256 N -1.25 0.99 -0.24 2.37 0.11 -1.81 -0.74 132.00 131.43 3klz h PRO 256 Ca -0.11 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3klz h PRO 256 Cb 0.86 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3klz h PRO 256 CO 0.19 0.65 0.01 0.28 -0.21 0.00 0.00 178.00 178.92 3klz h VAL 257 N 1.02 1.25 -0.17 3.15 2.07 -0.95 -0.21 116.25 122.41 3klz h VAL 257 Ca 0.33 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3klz h VAL 257 Cb 0.01 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3klz h VAL 257 CO -0.11 0.27 -0.02 0.74 0.02 0.00 0.00 177.57 178.47 3klz h THR 258 N 0.19 0.86 -0.78 2.57 2.02 -0.98 0.31 112.91 117.11 3klz h THR 258 Ca 0.07 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.34 3klz h THR 258 Cb 0.39 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 3klz h THR 258 CO 0.01 0.01 0.41 -0.07 0.37 0.00 0.00 175.52 176.25 3klz h LEU 259 N 0.03 0.55 -0.29 2.58 3.38 -1.02 -0.34 115.31 120.21 3klz h LEU 259 Ca 0.08 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3klz h LEU 259 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3klz h LEU 259 CO -0.15 0.30 0.02 1.23 0.09 0.00 0.00 178.44 179.93 3klz h GLY 260 N 0.68 0.54 0.65 0.83 0.00 -0.24 -1.48 103.07 104.05 3klz h GLY 260 Ca 0.39 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3klz h GLY 260 CO -0.28 0.35 0.43 3.43 0.00 0.00 0.00 176.54 180.47 3klz h ASN 261 N 0.30 0.64 -0.42 0.19 2.35 0.05 0.96 115.58 119.65 3klz h ASN 261 Ca 0.08 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3klz h ASN 261 Cb 0.40 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3klz h ASN 261 CO 0.01 0.40 0.23 0.40 -1.65 0.00 0.00 177.43 176.82 3klz h ILE 262 N 0.77 1.15 -0.30 2.81 2.04 -0.87 -0.40 117.51 122.72 3klz h ILE 262 Ca 0.34 -0.39 -0.19 0.00 1.00 0.00 0.00 64.86 65.62 3klz h ILE 262 Cb 0.23 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3klz h ILE 262 CO -0.20 0.16 -0.54 0.58 0.00 0.00 0.00 178.15 178.15 3klz h VAL 263 N 0.54 1.27 -0.70 1.67 2.07 -0.92 0.27 116.25 120.45 3klz h VAL 263 Ca 0.15 -1.72 0.06 0.00 0.82 0.00 0.00 66.70 66.01 3klz h VAL 263 Cb 0.05 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3klz h VAL 263 CO -0.02 0.56 0.39 1.23 0.02 0.00 0.00 177.57 179.75 3klz h GLY 264 N 0.68 1.03 1.56 2.17 0.00 -0.72 0.42 103.07 108.22 3klz h GLY 264 Ca 0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 3klz h GLY 264 CO 0.12 0.15 -0.59 -1.33 0.00 0.00 0.00 176.54 174.89 3klz h GLY 265 N 0.71 0.50 0.84 4.60 0.00 -0.91 -2.44 103.07 106.36 3klz h GLY 265 Ca 0.32 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3klz h GLY 265 CO -0.19 0.54 -0.01 -1.33 0.00 0.00 0.00 176.54 175.55 3klz h GLY 266 N 1.19 0.47 0.69 4.60 0.00 0.19 -1.74 103.07 108.47 3klz h GLY 266 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3klz h GLY 266 CO 0.11 0.33 -0.45 -2.08 0.00 0.00 0.00 176.54 174.44 3klz h VAL 267 N 0.20 0.11 -0.99 4.60 2.07 -0.20 0.20 116.25 122.23 3klz h VAL 267 Ca 0.07 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.82 3klz h VAL 267 Cb 0.43 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 3klz h VAL 267 CO 0.01 0.00 0.64 0.15 0.02 0.00 0.00 177.57 178.39 3klz h PHE 268 N -1.00 0.64 0.11 1.57 3.04 -1.45 0.37 116.94 120.21 3klz h PHE 268 Ca -0.07 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.62 3klz h PHE 268 Cb 0.84 -0.19 0.02 0.00 2.56 0.00 0.00 35.95 39.18 3klz h PHE 268 CO -0.17 0.11 -1.19 0.28 -2.02 0.00 0.00 178.31 175.32 3klz h VAL 269 N 0.43 1.37 -0.40 1.41 2.07 -0.82 -1.28 116.25 119.03 3klz h VAL 269 Ca 0.54 -2.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.33 3klz h VAL 269 Cb 1.32 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 33.80 3klz h VAL 269 CO -0.25 0.79 -0.10 1.23 0.02 0.00 0.00 177.57 179.25 3klz h GLY 270 N 0.87 0.77 0.66 2.17 0.00 0.34 0.17 103.07 108.04 3klz h GLY 270 Ca -0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3klz h GLY 270 CO 0.21 0.52 -0.03 1.98 0.00 0.00 0.00 176.54 179.22 3klz h MET 271 N 0.65 -0.08 -0.64 4.80 -1.53 -0.91 -1.48 114.93 115.74 3klz h MET 271 Ca 0.11 0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.40 3klz h MET 271 Cb 0.55 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.59 3klz h MET 271 CO 0.03 0.26 0.43 2.35 0.14 0.00 0.00 176.91 180.12 3klz h TRP 272 N -0.42 0.78 -0.38 1.39 7.01 -1.13 -2.20 115.95 120.98 3klz h TRP 272 Ca -0.01 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3klz h TRP 272 Cb 0.37 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 3klz h TRP 272 CO 0.04 0.47 0.17 -0.92 -2.79 0.00 0.00 178.44 175.41 3klz h TYR 273 N 0.82 0.56 0.00 2.65 3.20 -0.53 -2.33 116.97 121.34 3klz h TYR 273 Ca 0.25 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3klz h TYR 273 Cb -0.01 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3klz h TYR 273 CO -0.00 0.48 -0.44 -1.49 -1.64 0.00 0.00 178.16 175.08 3klz h TRP 274 N 0.47 0.00 0.00 -3.82 -0.00 -0.78 -1.70 115.95 110.12 3klz h TRP 274 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.92 3klz h TRP 274 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.29 3klz h TRP 274 CO -0.01 0.44 -0.46 -0.07 -0.00 0.00 0.00 178.44 178.34 3klz h LEU 275 N 0.00 0.00 -0.10 -4.49 4.07 -1.18 0.25 115.31 113.86 3klz h LEU 275 Ca -0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.73 3klz h LEU 275 Cb 0.87 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 3klz h LEU 275 CO 0.06 0.46 -1.01 0.40 -1.08 0.00 0.00 178.44 177.26 3klz h ILE 276 N 0.00 1.54 0.00 1.22 2.04 -1.03 -3.07 117.51 118.21 3klz h ILE 276 Ca -0.00 -2.93 -0.03 0.00 1.00 0.00 0.00 64.86 62.90 3klz h ILE 276 Cb 0.90 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3klz h ILE 276 CO 0.06 0.85 -0.15 0.22 0.00 0.00 0.00 178.15 179.13 3klz h TYR 277 N 0.08 0.00 0.00 1.37 3.20 -1.05 -3.52 116.97 117.05 3klz h TYR 277 Ca -0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3klz h TYR 277 Cb 1.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.97 3klz h TYR 277 CO 0.03 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.98