#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klz h GLY 24 N 0.00 0.00 0.93 8.31 0.00 -2.05 0.20 103.07 110.46 3klz h GLY 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3klz h GLY 24 CO 0.00 0.00 0.54 1.70 0.00 0.00 0.00 176.54 178.78 3klz h LYS 25 N 0.00 1.04 -0.01 4.80 1.63 -2.05 0.42 116.57 122.39 3klz h LYS 25 Ca 0.15 -0.06 -0.16 0.00 -0.85 0.00 0.00 60.65 59.73 3klz h LYS 25 Cb 0.91 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 3klz h LYS 25 CO -0.00 0.69 -0.72 0.00 -3.45 0.00 0.00 179.45 175.97 3klz h ALA 26 N 1.33 0.78 0.00 5.00 0.00 -1.04 -1.65 119.26 123.68 3klz h ALA 26 Ca 0.32 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3klz h ALA 26 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3klz h ALA 26 CO -0.09 0.86 -0.46 -0.22 0.00 0.00 0.00 179.25 179.34 3klz h LYS 27 N 0.05 0.00 -0.35 0.00 3.64 -1.00 -0.99 116.57 117.92 3klz h LYS 27 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 3klz h LYS 27 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3klz h LYS 27 CO 0.10 0.46 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.18 3klz h LYS 28 N 0.00 0.85 -0.35 1.90 3.64 0.22 -2.67 116.57 120.16 3klz h LYS 28 Ca -0.00 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 3klz h LYS 28 Cb 0.95 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3klz h LYS 28 CO 0.06 1.08 -0.18 0.00 -2.27 0.00 0.00 179.45 178.14 3klz h ALA 29 N 0.75 0.50 -0.40 5.00 0.00 -1.09 -2.10 119.26 121.92 3klz h ALA 29 Ca 0.06 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.70 3klz h ALA 29 Cb 0.92 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3klz h ALA 29 CO 0.08 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.61 3klz h ALA 30 N 0.78 0.18 -0.28 0.00 0.00 -1.18 -0.40 119.26 118.37 3klz h ALA 30 Ca 0.08 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3klz h ALA 30 Cb 0.73 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3klz h ALA 30 CO 0.05 -0.51 -0.10 1.88 0.00 0.00 0.00 179.25 180.58 3klz h TYR 31 N -0.07 0.48 0.50 0.00 0.05 -1.32 -0.64 116.97 115.96 3klz h TYR 31 Ca 0.20 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 3klz h TYR 31 Cb 0.37 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3klz h TYR 31 CO -0.40 0.54 -0.24 -0.22 -1.05 0.00 0.00 178.16 176.79 3klz h LYS 32 N 0.42 -0.65 -0.45 4.88 3.64 -0.74 -0.33 116.57 123.35 3klz h LYS 32 Ca 0.08 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3klz h LYS 32 Cb 0.43 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.31 3klz h LYS 32 CO 0.02 -0.37 -0.14 0.77 -2.27 0.00 0.00 179.45 177.46 3klz h SER 33 N -0.81 -0.49 -0.70 4.20 0.02 -0.74 0.11 113.55 115.14 3klz h SER 33 Ca -0.07 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 3klz h SER 33 Cb 0.57 0.30 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 3klz h SER 33 CO 0.11 -0.17 0.32 0.15 -1.14 0.00 0.00 176.83 176.11 3klz h PHE 34 N -0.03 0.57 -0.40 3.45 3.57 -1.02 0.32 116.94 123.40 3klz h PHE 34 Ca 0.22 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 3klz h PHE 34 Cb 0.36 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3klz h PHE 34 CO -0.41 0.17 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.66 3klz h LEU 35 N 0.54 0.79 -1.45 0.59 3.38 0.41 -0.96 115.31 118.61 3klz h LEU 35 Ca 0.36 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3klz h LEU 35 Cb 0.43 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3klz h LEU 35 CO -0.30 0.98 -0.07 -0.07 0.09 0.00 0.00 178.44 179.07 3klz h LEU 36 N 0.60 0.00 0.00 1.67 3.38 -0.58 -1.04 115.31 119.34 3klz h LEU 36 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3klz h LEU 36 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3klz h LEU 36 CO 0.04 0.07 -0.05 0.00 0.09 0.00 0.00 178.44 178.59 3klz h ALA 37 N 1.93 0.01 -0.77 1.53 0.00 0.01 -1.48 119.26 120.49 3klz h ALA 37 Ca -0.00 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.62 3klz h ALA 37 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3klz h ALA 37 CO 0.01 -0.06 0.36 0.82 0.00 0.00 0.00 179.25 180.38 3klz h ILE 38 N -0.74 0.74 -0.40 0.00 2.04 -1.05 -0.52 117.51 117.57 3klz h ILE 38 Ca -0.01 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3klz h ILE 38 Cb 0.84 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3klz h ILE 38 CO 0.01 0.10 0.15 -1.28 0.00 0.00 0.00 178.15 177.13 3klz h SER 39 N 0.55 0.57 -0.59 1.72 0.87 -1.20 -2.11 113.55 113.35 3klz h SER 39 Ca 0.41 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3klz h SER 39 Cb 0.56 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3klz h SER 39 CO -0.35 0.60 0.30 0.00 -0.53 0.00 0.00 176.83 176.85 3klz h ALA 40 N 0.99 0.76 -0.86 6.23 0.00 -0.78 -1.51 119.26 124.10 3klz h ALA 40 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3klz h ALA 40 Cb 0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3klz h ALA 40 CO -0.01 0.30 0.55 0.78 0.00 0.00 0.00 179.25 180.88 3klz h GLY 41 N 0.81 1.27 1.39 0.00 0.00 -0.88 -0.96 103.07 104.69 3klz h GLY 41 Ca 0.21 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3klz h GLY 41 CO -0.03 0.33 -0.19 -2.22 0.00 0.00 0.00 176.54 174.43 3klz h ILE 42 N 1.05 1.26 -0.21 2.60 2.04 -1.13 -1.62 117.51 121.50 3klz h ILE 42 Ca 0.35 -1.26 -0.20 0.00 1.00 0.00 0.00 64.86 64.75 3klz h ILE 42 Cb 0.05 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3klz h ILE 42 CO -0.13 0.42 -0.68 1.56 0.00 0.00 0.00 178.15 179.32 3klz h GLN 43 N 0.63 0.80 0.00 2.37 4.20 -0.61 -0.50 115.11 122.00 3klz h GLN 43 Ca 0.10 -0.59 -0.14 0.00 0.06 0.00 0.00 58.65 58.08 3klz h GLN 43 Cb 0.67 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3klz h GLN 43 CO 0.05 1.21 -0.66 0.82 -0.67 0.00 0.00 178.83 179.57 3klz h ILE 44 N 0.58 1.42 -0.57 2.54 1.08 -1.21 -2.59 117.51 118.76 3klz h ILE 44 Ca -0.02 -2.32 -0.11 0.00 -0.39 0.00 0.00 64.86 62.02 3klz h ILE 44 Cb 1.29 2.27 -0.02 0.00 -3.07 0.00 0.00 36.82 37.29 3klz h ILE 44 CO 0.14 0.65 -0.08 1.23 -0.69 0.00 0.00 178.15 179.40 3klz h GLY 45 N 2.16 1.14 0.70 5.37 0.00 -1.15 -2.66 103.07 108.63 3klz h GLY 45 Ca -0.01 -0.90 0.08 0.00 0.00 0.00 0.00 47.33 46.50 3klz h GLY 45 CO 0.09 0.82 0.63 -2.22 0.00 0.00 0.00 176.54 175.86 3klz h ILE 46 N 0.94 1.04 -0.92 2.60 2.04 -0.90 -1.00 117.51 121.31 3klz h ILE 46 Ca 0.15 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3klz h ILE 46 Cb 0.65 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3klz h ILE 46 CO 0.04 0.20 0.61 0.00 0.00 0.00 0.00 178.15 179.00 3klz h ALA 47 N 1.49 1.37 -0.04 1.87 0.00 -1.13 -0.81 119.26 122.01 3klz h ALA 47 Ca 0.44 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 3klz h ALA 47 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3klz h ALA 47 CO -0.19 0.57 -0.72 0.74 0.00 0.00 0.00 179.25 179.65 3klz h PHE 48 N 1.21 0.31 -0.28 0.00 0.04 -0.98 -1.27 116.94 115.97 3klz h PHE 48 Ca 0.35 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 3klz h PHE 48 Cb -0.08 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3klz h PHE 48 CO -0.00 0.87 0.16 0.28 -0.60 0.00 0.00 178.31 179.02 3klz h VAL 49 N 0.15 1.12 -0.10 -0.55 2.07 -0.81 -0.15 116.25 117.98 3klz h VAL 49 Ca -0.02 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3klz h VAL 49 Cb 1.27 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3klz h VAL 49 CO 0.11 0.12 0.00 0.15 0.02 0.00 0.00 177.57 177.97 3klz h PHE 50 N 0.35 -0.00 -0.43 1.57 3.57 -1.07 -1.49 116.94 119.44 3klz h PHE 50 Ca 0.10 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.66 3klz h PHE 50 Cb 0.05 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3klz h PHE 50 CO -0.04 -0.01 0.16 -0.92 -2.23 0.00 0.00 178.31 175.27 3klz h TYR 51 N 0.04 0.28 -0.11 0.41 5.03 -1.08 -0.69 116.97 120.85 3klz h TYR 51 Ca 0.05 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 3klz h TYR 51 Cb 0.05 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 3klz h TYR 51 CO -0.13 0.11 0.07 1.15 -1.32 0.00 0.00 178.16 178.04 3klz h THR 52 N 0.33 1.06 0.10 1.81 2.02 -0.79 -1.33 112.91 116.11 3klz h THR 52 Ca 0.20 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3klz h THR 52 Cb 0.18 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3klz h THR 52 CO -0.20 0.06 -0.28 0.58 0.37 0.00 0.00 175.52 176.05 3klz h VAL 53 N 0.11 0.38 -0.41 3.16 2.07 -1.05 -2.70 116.25 117.81 3klz h VAL 53 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3klz h VAL 53 Cb 0.03 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3klz h VAL 53 CO -0.01 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.43 3klz h VAL 54 N -0.49 1.09 -0.35 2.57 2.07 -0.95 -1.37 116.25 118.81 3klz h VAL 54 Ca 0.04 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3klz h VAL 54 Cb 0.53 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3klz h VAL 54 CO -0.18 0.10 0.00 0.35 0.02 0.00 0.00 177.57 177.86 3klz n THR 55 N -4.48 0.46 -2.61 2.57 -2.24 -0.52 -4.89 114.28 102.57 3klz n THR 55 Ca 0.03 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 3klz n THR 55 Cb 0.08 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.54 4.21 -0.13 4.28 2.01 -0.52 -3.30 115.64 120.66 3klz s THR 56 Ca 0.34 1.83 0.00 0.00 0.31 0.00 0.00 61.69 64.17 3klz s THR 56 Cb 0.19 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3klz s THR 56 CO 0.26 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 3klz n GLY 57 N 2.26 0.50 1.17 4.40 0.00 -1.26 -4.93 105.19 107.33 3klz n GLY 57 Ca 0.03 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 1.02 2.59 -0.33 4.61 0.00 -1.21 -4.60 120.51 122.59 3klz n ALA 58 Ca -0.01 -1.11 0.18 0.00 0.00 0.00 0.00 53.44 52.50 3klz n ALA 58 Cb 0.06 -0.97 0.39 0.00 0.00 0.00 0.00 19.45 18.92 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 3.42 0.90 -0.00 0.00 2.07 -1.91 0.69 115.15 120.31 3klz h HIS 59 Ca 0.00 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 3klz h HIS 59 Cb 0.92 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3klz h HIS 59 CO 0.47 -0.02 -0.35 -0.25 -3.07 0.00 0.00 177.93 174.70 3klz n ASP 60 N -4.97 0.56 -4.81 3.10 8.00 -1.26 -4.88 116.55 112.28 3klz n ASP 60 Ca 0.27 -0.34 -0.33 0.00 0.71 0.00 0.00 54.79 55.10 3klz n ASP 60 Cb 0.78 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.97 3klz n ASP 60 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3klz s MET 61 N -2.84 3.66 0.31 -1.24 -1.94 0.23 -4.99 119.30 112.50 3klz s MET 61 Ca 0.16 1.18 -0.29 0.00 -1.71 0.00 0.00 55.69 55.02 3klz s MET 61 Cb 0.18 -2.08 -0.12 0.00 2.01 0.00 0.00 34.83 34.82 3klz s MET 61 CO 0.62 -0.53 1.49 -2.30 -0.01 0.00 0.00 175.02 174.30 3klz n PRO 62 N -1.55 2.50 -0.39 2.03 -0.02 -1.26 -4.86 135.00 131.44 3klz n PRO 62 Ca 0.08 0.88 -0.08 0.00 -2.02 0.00 0.00 63.50 62.37 3klz n PRO 62 Cb 0.53 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 3klz n PRO 62 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3klz h TYR 63 N 3.93 -1.60 -0.58 6.00 3.20 -1.93 -2.21 116.97 123.78 3klz h TYR 63 Ca -0.47 0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.44 3klz h TYR 63 Cb 1.25 0.83 -0.02 0.00 1.54 0.00 0.00 36.73 40.32 3klz h TYR 63 CO 0.56 -0.39 0.08 0.78 -1.64 0.00 0.00 178.16 177.55 3klz h GLY 64 N -0.02 1.04 0.88 1.82 0.00 -1.99 -2.32 103.07 102.48 3klz h GLY 64 Ca 0.22 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.87 3klz h GLY 64 CO -0.94 0.65 0.36 -2.08 0.00 0.00 0.00 176.54 174.53 3klz h VAL 65 N 0.86 1.07 0.03 4.60 2.07 -1.82 -0.38 116.25 122.68 3klz h VAL 65 Ca 0.17 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3klz h VAL 65 Cb 0.44 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3klz h VAL 65 CO 0.01 0.13 -0.01 0.74 0.02 0.00 0.00 177.57 178.46 3klz h THR 66 N 0.71 1.02 -0.30 2.57 2.02 -1.25 -0.32 112.91 117.36 3klz h THR 66 Ca 0.23 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.30 3klz h THR 66 Cb 0.02 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3klz h THR 66 CO -0.10 0.04 0.02 0.11 0.37 0.00 0.00 175.52 175.96 3klz h LYS 67 N -0.11 0.11 -0.36 6.66 1.79 -1.26 -1.57 116.57 121.82 3klz h LYS 67 Ca -0.00 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 3klz h LYS 67 Cb 0.10 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 3klz h LYS 67 CO 0.01 0.07 0.02 1.25 -1.08 0.00 0.00 179.45 179.71 3klz h LEU 68 N 0.11 -0.11 -0.68 2.94 5.85 -0.88 0.12 115.31 122.66 3klz h LEU 68 Ca 0.14 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3klz h LEU 68 Cb 0.18 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3klz h LEU 68 CO -0.22 -0.02 0.41 -0.07 -0.34 0.00 0.00 178.44 178.20 3klz h LEU 69 N 0.12 0.82 0.08 2.25 3.38 -0.76 -0.15 115.31 121.05 3klz h LEU 69 Ca 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3klz h LEU 69 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3klz h LEU 69 CO -0.28 0.64 -0.06 1.23 0.09 0.00 0.00 178.44 180.06 3klz h GLY 70 N 0.92 -0.14 0.69 0.83 0.00 -0.88 -2.31 103.07 102.19 3klz h GLY 70 Ca 0.24 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.71 3klz h GLY 70 CO -0.05 -0.07 0.55 -1.33 0.00 0.00 0.00 176.54 175.65 3klz h GLY 71 N -0.15 1.34 0.93 4.60 0.00 -0.46 -0.22 103.07 109.11 3klz h GLY 71 Ca -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3klz h GLY 71 CO -0.01 0.25 0.10 1.41 0.00 0.00 0.00 176.54 178.30 3klz h LEU 72 N 0.98 0.57 -1.21 3.11 3.38 -0.91 -2.54 115.31 118.69 3klz h LEU 72 Ca 0.39 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3klz h LEU 72 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3klz h LEU 72 CO -0.19 0.64 0.14 0.00 0.09 0.00 0.00 178.44 179.12 3klz h ALA 73 N 0.95 1.37 0.00 1.53 0.00 -0.86 -2.78 119.26 119.47 3klz h ALA 73 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3klz h ALA 73 Cb 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3klz h ALA 73 CO -0.00 0.46 -0.03 0.35 0.00 0.00 0.00 179.25 180.03 3klz h PHE 74 N 0.67 0.00 0.00 0.00 3.04 -0.63 -2.59 116.94 117.44 3klz h PHE 74 Ca 0.16 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 3klz h PHE 74 Cb 0.22 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 3klz h PHE 74 CO 0.01 0.03 -0.03 0.66 -2.02 0.00 0.00 178.31 176.96 3klz h SER 75 N 0.00 0.00 -0.89 0.41 4.64 -1.34 -1.86 113.55 114.52 3klz h SER 75 Ca -0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 3klz h SER 75 Cb 0.35 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 3klz h SER 75 CO 0.00 0.03 0.44 0.25 -0.87 0.00 0.00 176.83 176.68 3klz h LEU 76 N 0.00 0.46 -0.02 5.97 5.85 -1.66 -1.32 115.31 124.59 3klz h LEU 76 Ca -0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3klz h LEU 76 Cb 0.09 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3klz h LEU 76 CO 0.00 0.11 -0.06 1.23 -0.34 0.00 0.00 178.44 179.38 3klz h GLY 77 N 0.52 -0.05 1.50 3.75 0.00 -1.54 0.19 103.07 107.44 3klz h GLY 77 Ca 0.53 0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.78 3klz h GLY 77 CO -0.45 -0.07 -0.51 -2.00 0.00 0.00 0.00 176.54 173.51 3klz h LEU 78 N -0.10 0.58 -0.19 3.11 5.85 -1.62 -1.93 115.31 121.01 3klz h LEU 78 Ca 0.03 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3klz h LEU 78 Cb 0.14 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3klz h LEU 78 CO -0.08 0.99 -0.05 0.40 -0.34 0.00 0.00 178.44 179.37 3klz h ILE 79 N 0.41 0.81 -0.32 4.05 2.04 -0.87 -0.64 117.51 122.99 3klz h ILE 79 Ca 0.02 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3klz h ILE 79 Cb 1.04 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3klz h ILE 79 CO 0.10 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.22 3klz h LEU 80 N 0.00 -0.02 -0.45 1.44 3.38 -0.51 -1.61 115.31 117.54 3klz h LEU 80 Ca 0.09 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3klz h LEU 80 Cb 0.14 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3klz h LEU 80 CO -0.19 0.02 0.16 0.58 0.09 0.00 0.00 178.44 179.10 3klz h VAL 81 N 0.16 1.21 -0.11 1.22 2.07 -1.00 0.29 116.25 120.09 3klz h VAL 81 Ca 0.15 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3klz h VAL 81 Cb 0.18 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3klz h VAL 81 CO -0.22 0.25 -0.11 0.58 0.02 0.00 0.00 177.57 178.09 3klz h VAL 82 N 0.58 1.36 -0.13 2.57 2.07 -1.08 0.22 116.25 121.85 3klz h VAL 82 Ca 0.15 -1.28 -0.18 0.00 0.82 0.00 0.00 66.70 66.21 3klz h VAL 82 Cb 0.22 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3klz h VAL 82 CO -0.01 0.37 -0.67 0.40 0.02 0.00 0.00 177.57 177.67 3klz h ILE 83 N -0.14 1.34 -0.00 4.57 2.04 -1.28 -2.99 117.51 121.04 3klz h ILE 83 Ca 0.02 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.88 3klz h ILE 83 Cb 0.64 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3klz h ILE 83 CO 0.03 0.61 -0.08 0.35 0.00 0.00 0.00 178.15 179.06 3klz n THR 84 N -3.90 0.00 -3.08 -0.27 -2.24 0.09 -4.93 114.28 99.95 3klz n THR 84 Ca -0.04 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 3klz n THR 84 Cb 0.68 -0.08 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.23 0.03 3.84 3.38 0.00 -0.60 -5.02 105.19 108.05 3klz n GLY 85 Ca 0.16 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.12 1.79 -0.35 -0.02 0.00 0.68 -4.99 107.32 101.31 3klz s GLY 86 Ca 0.32 0.09 -0.08 0.00 0.00 0.00 0.00 44.72 45.05 3klz s GLY 86 CO 0.40 0.39 0.15 -0.54 0.00 0.00 0.00 173.10 173.50 3klz s GLU 87 N -4.80 2.71 -0.18 2.90 2.02 -0.69 -4.79 118.70 115.87 3klz s GLU 87 Ca 0.58 -1.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 3klz s GLU 87 Cb -0.13 -3.58 -0.00 0.00 0.10 0.00 0.00 34.13 30.52 3klz s GLU 87 CO 0.49 -0.68 -0.11 -1.17 0.02 0.00 0.00 175.26 173.81 3klz s LEU 88 N 1.47 2.65 0.00 1.80 2.96 -1.26 -4.10 118.68 122.19 3klz s LEU 88 Ca -0.00 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3klz s LEU 88 Cb -0.19 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.87 3klz s LEU 88 CO 0.04 0.06 0.00 0.33 -1.32 0.00 0.00 176.35 175.46 3klz n PHE 89 N 4.27 0.00 -3.55 5.38 7.35 -1.26 -4.71 117.46 124.93 3klz n PHE 89 Ca -0.19 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.29 3klz n PHE 89 Cb 0.51 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.34 3klz n PHE 89 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3klz s THR 90 N 0.00 4.57 0.60 -2.13 -4.23 -1.26 -4.34 115.64 108.85 3klz s THR 90 Ca 0.00 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.48 3klz s THR 90 Cb 0.00 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 3klz s THR 90 CO 0.00 -0.29 1.13 -0.44 -0.54 0.00 0.00 174.62 174.48 3klz s SER 91 N -4.10 5.39 0.52 3.99 0.01 -1.26 -4.95 113.70 113.29 3klz s SER 91 Ca 0.41 2.11 -0.22 0.00 1.31 0.00 0.00 55.95 59.57 3klz s SER 91 Cb -0.09 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 3klz s SER 91 CO 0.32 -1.44 1.14 -1.54 0.41 0.00 0.00 173.24 172.13 3klz n SER 92 N -1.84 1.72 0.31 2.44 3.41 -1.26 -4.73 113.62 113.68 3klz n SER 92 Ca 0.11 0.95 0.19 0.00 -0.26 0.00 0.00 58.87 59.87 3klz n SER 92 Cb 0.51 -1.45 1.00 0.00 -0.26 0.00 0.00 64.21 64.01 3klz n SER 92 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3klz h VAL 93 N 1.25 0.14 -0.30 -3.33 -1.51 -1.98 0.13 116.25 110.65 3klz h VAL 93 Ca -0.48 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.81 3klz h VAL 93 Cb 1.33 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3klz h VAL 93 CO 0.55 0.00 -0.53 0.25 -1.23 0.00 0.00 177.57 176.61 3klz h LEU 94 N 0.00 0.97 -0.69 4.19 7.12 -1.99 -0.41 115.31 124.51 3klz h LEU 94 Ca 0.02 -0.51 -0.09 0.00 0.13 0.00 0.00 57.88 57.42 3klz h LEU 94 Cb 0.30 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 3klz h LEU 94 CO -0.00 1.31 -0.01 0.40 -0.13 0.00 0.00 178.44 180.02 3klz h ILE 95 N 0.68 1.26 -0.35 4.05 1.08 -1.13 -2.17 117.51 120.93 3klz h ILE 95 Ca 0.02 -1.13 -0.00 0.00 -0.39 0.00 0.00 64.86 63.35 3klz h ILE 95 Cb 1.14 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3klz h ILE 95 CO 0.12 0.41 0.20 -0.07 -0.69 0.00 0.00 178.15 178.12 3klz h LEU 96 N 0.92 0.41 0.00 1.44 4.07 -0.97 -1.92 115.31 119.27 3klz h LEU 96 Ca 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3klz h LEU 96 Cb 0.54 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3klz h LEU 96 CO 0.03 0.33 -0.34 -0.37 -1.08 0.00 0.00 178.44 177.01 3klz h VAL 97 N 0.48 0.00 0.08 1.22 -1.51 -0.81 -2.67 116.25 113.04 3klz h VAL 97 Ca 0.13 -0.52 -0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3klz h VAL 97 Cb -0.00 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3klz h VAL 97 CO -0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 176.28 3klz h ALA 98 N 2.48 -0.11 -0.73 5.19 0.00 -0.71 -2.69 119.26 122.69 3klz h ALA 98 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3klz h ALA 98 Cb 0.76 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3klz h ALA 98 CO 0.00 -0.27 0.44 0.87 0.00 0.00 0.00 179.25 180.29 3klz h LYS 99 N -0.69 0.98 -0.82 0.00 1.79 -1.54 -2.16 116.57 114.13 3klz h LYS 99 Ca -0.01 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 3klz h LYS 99 Cb 0.55 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 3klz h LYS 99 CO 0.02 0.69 0.39 0.00 -1.08 0.00 0.00 179.45 179.46 3klz h ALA 100 N 1.48 1.14 0.00 3.86 0.00 -1.49 -1.95 119.26 122.31 3klz h ALA 100 Ca 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3klz h ALA 100 Cb -0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3klz h ALA 100 CO -0.05 0.65 -0.10 0.66 0.00 0.00 0.00 179.25 180.41 3klz h SER 101 N 1.17 0.00 0.00 0.00 4.64 -1.29 -3.47 113.55 114.59 3klz h SER 101 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3klz h SER 101 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3klz h SER 101 CO -0.03 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3klz n GLY 102 N 0.96 0.60 0.26 -0.77 0.00 -0.73 -5.00 105.19 100.51 3klz n GLY 102 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3klz n GLY 102 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3klz h LYS 103 N 3.90 0.93 -6.20 1.61 2.10 -1.64 -3.43 116.57 113.84 3klz h LYS 103 Ca 0.00 -0.50 -0.50 0.00 -2.00 0.00 0.00 60.65 57.64 3klz h LYS 103 Cb 0.00 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.31 3klz h LYS 103 CO 0.00 1.16 -0.51 0.96 -2.00 0.00 0.00 179.45 179.05 3klz s ILE 104 N -4.37 4.15 0.46 0.07 -4.36 -1.21 -5.01 121.20 110.94 3klz s ILE 104 Ca -0.11 -1.43 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 3klz s ILE 104 Cb 0.11 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.51 3klz s ILE 104 CO 0.88 -0.30 0.41 -0.94 0.24 0.00 0.00 174.94 175.23 3klz s SER 105 N -3.87 4.92 0.26 4.36 1.04 -1.26 -4.34 113.70 114.82 3klz s SER 105 Ca 0.35 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 3klz s SER 105 Cb -0.07 -0.24 0.40 0.00 0.10 0.00 0.00 66.02 66.20 3klz s SER 105 CO 0.25 -0.82 1.88 -0.50 0.98 0.00 0.00 173.24 175.03 3klz h TRP 106 N 0.90 1.19 -0.87 5.02 4.06 -1.98 0.35 115.95 124.62 3klz h TRP 106 Ca -0.39 0.03 0.13 0.00 2.06 0.00 0.00 58.89 60.72 3klz h TRP 106 Cb 1.28 -0.39 -0.09 0.00 -1.00 0.00 0.00 29.16 28.96 3klz h TRP 106 CO 0.63 0.62 0.48 -0.22 -3.56 0.00 0.00 178.44 176.38 3klz h LYS 107 N 1.17 0.69 -0.00 0.49 3.64 -1.98 0.68 116.57 121.26 3klz h LYS 107 Ca 0.43 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3klz h LYS 107 Cb 0.16 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3klz h LYS 107 CO -0.17 0.46 -0.01 0.93 -2.27 0.00 0.00 179.45 178.38 3klz h GLU 108 N 0.72 0.01 -0.07 1.90 5.08 -1.32 -0.52 114.58 120.37 3klz h GLU 108 Ca 0.46 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3klz h GLU 108 Cb 0.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3klz h GLU 108 CO -0.33 0.74 -0.38 1.25 -1.00 0.00 0.00 179.01 179.29 3klz h LEU 109 N -0.71 -1.20 -0.87 1.33 7.12 -0.14 0.48 115.31 121.32 3klz h LEU 109 Ca -0.00 0.14 0.19 0.00 0.13 0.00 0.00 57.88 58.34 3klz h LEU 109 Cb 0.74 0.47 -0.11 0.00 -0.53 0.00 0.00 40.66 41.23 3klz h LEU 109 CO 0.00 -0.34 0.39 0.58 -0.13 0.00 0.00 178.44 178.94 3klz h VAL 110 N -0.42 0.57 0.04 1.05 2.07 -0.99 -0.51 116.25 118.06 3klz h VAL 110 Ca 0.02 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.40 3klz h VAL 110 Cb 0.48 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3klz h VAL 110 CO -0.29 0.09 -0.21 -0.09 0.02 0.00 0.00 177.57 177.08 3klz h ARG 111 N 0.47 -0.34 -0.77 1.57 9.65 0.49 -1.74 114.38 123.72 3klz h ARG 111 Ca 0.51 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.42 3klz h ARG 111 Cb 0.88 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.50 3klz h ARG 111 CO -0.46 -0.23 0.50 -0.97 2.80 0.00 0.00 179.97 181.61 3klz h ASN 112 N -0.36 0.89 -0.69 -3.80 -1.24 0.92 -1.78 115.58 109.51 3klz h ASN 112 Ca 0.05 -0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.15 3klz h ASN 112 Cb 0.42 -0.22 -0.09 0.00 0.73 0.00 0.00 38.32 39.16 3klz h ASN 112 CO -0.17 0.65 0.25 -0.25 -1.29 0.00 0.00 177.43 176.62 3klz h TRP 113 N 1.04 0.42 -0.78 0.67 2.91 -0.89 -1.39 115.95 117.93 3klz h TRP 113 Ca 0.28 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.32 3klz h TRP 113 Cb -0.11 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.42 3klz h TRP 113 CO -0.02 0.05 0.43 1.15 -1.03 0.00 0.00 178.44 179.02 3klz h THR 114 N 0.40 1.23 -0.57 2.65 2.02 -0.47 -0.67 112.91 117.51 3klz h THR 114 Ca 0.37 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 3klz h THR 114 Cb 0.53 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3klz h THR 114 CO -0.38 0.26 0.16 0.58 0.37 0.00 0.00 175.52 176.51 3klz h VAL 115 N 1.08 1.24 0.53 3.16 2.07 -0.79 -1.27 116.25 122.27 3klz h VAL 115 Ca 0.27 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3klz h VAL 115 Cb 0.04 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3klz h VAL 115 CO -0.04 0.31 -0.25 0.58 0.02 0.00 0.00 177.57 178.19 3klz h VAL 116 N 0.80 0.39 -0.59 2.57 2.07 -0.84 0.43 116.25 121.08 3klz h VAL 116 Ca 0.18 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.49 3klz h VAL 116 Cb 0.31 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 3klz h VAL 116 CO -0.00 0.05 -0.05 0.22 0.02 0.00 0.00 177.57 177.81 3klz h TYR 117 N -0.94 -0.13 -0.42 1.57 3.20 -1.16 0.42 116.97 119.52 3klz h TYR 117 Ca -0.07 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3klz h TYR 117 Cb 0.62 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3klz h TYR 117 CO 0.00 -0.19 -0.26 0.35 -1.64 0.00 0.00 178.16 176.42 3klz h PHE 118 N 0.08 1.07 -0.34 -3.82 3.57 -1.09 -0.66 116.94 115.74 3klz h PHE 118 Ca 0.30 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3klz h PHE 118 Cb 0.48 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3klz h PHE 118 CO -0.40 1.09 0.22 0.78 -2.23 0.00 0.00 178.31 177.77 3klz h GLY 119 N 0.75 0.48 0.20 2.40 0.00 0.50 -1.04 103.07 106.35 3klz h GLY 119 Ca 0.09 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.36 3klz h GLY 119 CO 0.07 0.16 0.17 3.43 0.00 0.00 0.00 176.54 180.38 3klz h ASN 120 N 0.44 0.08 0.20 0.19 2.35 0.06 0.35 115.58 119.26 3klz h ASN 120 Ca 0.13 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3klz h ASN 120 Cb -0.03 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3klz h ASN 120 CO -0.04 0.04 -0.10 0.25 -1.65 0.00 0.00 177.43 175.93 3klz h LEU 121 N 0.31 -0.23 -0.49 1.61 5.85 -0.76 -1.18 115.31 120.43 3klz h LEU 121 Ca 0.34 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.15 3klz h LEU 121 Cb 0.49 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3klz h LEU 121 CO -0.39 -0.16 -0.01 0.00 -0.34 0.00 0.00 178.44 177.53 3klz h GLY 123 N 0.10 0.71 1.03 0.00 0.00 -0.79 -0.90 103.07 103.22 3klz h GLY 123 Ca 0.25 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.33 3klz h GLY 123 CO -0.42 0.27 0.60 1.76 0.00 0.00 0.00 176.54 178.76 3klz h SER 124 N 0.68 1.01 -0.04 0.19 0.02 -0.49 -2.35 113.55 112.57 3klz h SER 124 Ca 0.18 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 3klz h SER 124 Cb -0.06 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.25 3klz h SER 124 CO -0.04 0.71 -0.57 0.40 -1.14 0.00 0.00 176.83 176.20 3klz h ILE 125 N 1.19 1.40 -0.48 3.27 1.08 -0.94 -1.64 117.51 121.38 3klz h ILE 125 Ca 0.35 -1.97 0.10 0.00 -0.39 0.00 0.00 64.86 62.95 3klz h ILE 125 Cb -0.05 2.42 -0.10 0.00 -3.07 0.00 0.00 36.82 36.03 3klz h ILE 125 CO -0.10 0.58 -0.18 0.40 -0.69 0.00 0.00 178.15 178.17 3klz h ILE 126 N -0.00 0.41 -0.56 -0.67 2.04 -1.10 -1.93 117.51 115.70 3klz h ILE 126 Ca -0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3klz h ILE 126 Cb 1.25 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3klz h ILE 126 CO 0.11 0.00 0.12 0.25 0.00 0.00 0.00 178.15 178.63 3klz h LEU 127 N -0.07 0.83 -0.33 1.44 5.85 -1.36 -2.41 115.31 119.27 3klz h LEU 127 Ca 0.23 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3klz h LEU 127 Cb 0.43 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3klz h LEU 127 CO -0.53 0.82 -0.03 0.58 -0.34 0.00 0.00 178.44 178.94 3klz h VAL 128 N 0.84 0.73 -0.56 1.05 2.07 -0.64 0.11 116.25 119.85 3klz h VAL 128 Ca 0.18 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 3klz h VAL 128 Cb 0.34 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3klz h VAL 128 CO 0.00 0.01 0.21 -0.26 0.02 0.00 0.00 177.57 177.55 3klz h PHE 129 N 0.06 0.88 -0.22 1.57 0.04 -0.93 -0.32 116.94 118.00 3klz h PHE 129 Ca 0.16 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3klz h PHE 129 Cb 0.23 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3klz h PHE 129 CO -0.26 0.72 0.11 0.82 -0.60 0.00 0.00 178.31 179.10 3klz h ILE 130 N 0.78 1.14 -0.05 -0.55 2.04 -1.25 -1.95 117.51 117.67 3klz h ILE 130 Ca 0.19 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3klz h ILE 130 Cb 0.23 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3klz h ILE 130 CO -0.01 0.13 -0.15 0.24 0.00 0.00 0.00 178.15 178.36 3klz h MET 131 N 0.23 0.08 -0.32 2.37 2.86 -0.75 -0.74 114.93 118.66 3klz h MET 131 Ca 0.08 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 3klz h MET 131 Cb 0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3klz h MET 131 CO -0.01 0.23 -0.25 -0.07 1.06 0.00 0.00 176.91 177.87 3klz h LEU 132 N 0.07 0.78 -1.80 1.22 3.38 -0.85 -2.96 115.31 115.15 3klz h LEU 132 Ca 0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3klz h LEU 132 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3klz h LEU 132 CO 0.02 1.07 0.05 0.00 0.09 0.00 0.00 178.44 179.67 3klz h ALA 133 N 0.74 1.85 0.00 1.53 0.00 -0.62 -1.78 119.26 120.98 3klz h ALA 133 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3klz h ALA 133 Cb 0.82 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3klz h ALA 133 CO 0.07 0.13 -0.12 1.79 0.00 0.00 0.00 179.25 181.11 3klz h THR 134 N 0.18 0.36 -1.02 0.00 1.35 -0.99 -3.46 112.91 109.33 3klz h THR 134 Ca 0.05 -0.72 -0.36 0.00 -0.55 0.00 0.00 66.41 64.82 3klz h THR 134 Cb 0.04 1.53 -0.13 0.00 -1.73 0.00 0.00 68.15 67.86 3klz h THR 134 CO -0.01 0.12 -0.34 0.54 -0.25 0.00 0.00 175.52 175.58 3klz n ARG 135 N -3.35 -1.25 -0.16 4.72 1.74 -0.67 -4.87 116.66 112.82 3klz n ARG 135 Ca -0.00 1.10 0.20 0.00 -0.77 0.00 0.00 57.85 58.37 3klz n ARG 135 Cb 0.32 -5.37 0.58 0.00 -1.02 0.00 0.00 32.46 26.97 3klz n ARG 135 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3klz h GLN 136 N 0.00 0.26 -0.35 5.56 4.15 -1.84 -0.20 115.11 122.70 3klz h GLN 136 Ca -0.37 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.14 3klz h GLN 136 Cb 1.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 3klz h GLN 136 CO 0.53 0.17 0.50 0.27 -1.93 0.00 0.00 178.83 178.37 3klz h PHE 137 N 0.27 0.00 0.00 3.99 -5.15 -1.89 0.40 116.94 114.56 3klz h PHE 137 Ca 0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 3klz h PHE 137 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.29 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 -6.77 6.09 2.86 -1.36 -1.27 114.93 114.48 3klz h MET 138 Ca 0.16 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.23 3klz h MET 138 Cb 1.16 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.96 3klz h MET 138 CO -0.00 0.00 0.19 0.39 1.06 0.00 0.00 176.91 178.55 3klz n GLU 139 N -2.59 1.20 -3.52 1.72 -0.58 0.14 -0.92 120.64 116.09 3klz n GLU 139 Ca 0.03 0.45 -0.19 0.00 -0.42 0.00 0.00 57.16 57.03 3klz n GLU 139 Cb 0.34 -2.16 0.07 0.00 -0.57 0.00 0.00 31.44 29.12 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 -0.21 -1.92 -0.60 1.62 2.03 -1.26 -1.98 116.55 114.22 3klz n ASP 140 Ca 0.11 -0.68 -0.08 0.00 0.52 0.00 0.00 54.79 54.67 3klz n ASP 140 Cb 0.44 -4.81 -0.03 0.00 -0.72 0.00 0.00 41.12 36.00 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 -1.29 0.93 1.46 0.27 0.00 -1.22 -1.01 105.19 104.34 3klz n GLY 141 Ca -0.28 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.28 0.89 0.28 -0.02 0.00 -0.10 -4.11 105.19 100.85 3klz n GLY 142 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 3.83 0.33 -0.60 1.61 1.08 -0.81 -1.44 115.11 119.11 3klz h GLN 143 Ca 0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3klz h GLN 143 Cb 0.00 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 3klz h GLN 143 CO 0.00 0.26 0.26 1.25 -0.95 0.00 0.00 178.83 179.65 3klz h LEU 144 N 0.33 0.81 -0.34 1.46 6.46 -1.61 -0.14 115.31 122.29 3klz h LEU 144 Ca 0.09 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 3klz h LEU 144 Cb 0.03 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 3klz h LEU 144 CO -0.01 0.74 0.05 1.23 -0.62 0.00 0.00 178.44 179.83 3klz h GLY 145 N 0.83 0.61 0.92 3.75 0.00 -0.54 -1.76 103.07 106.87 3klz h GLY 145 Ca 0.20 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3klz h GLY 145 CO -0.02 0.38 0.39 1.41 0.00 0.00 0.00 176.54 178.70 3klz h LEU 146 N 0.40 0.65 -0.68 3.11 3.38 -1.16 -1.35 115.31 119.66 3klz h LEU 146 Ca 0.10 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3klz h LEU 146 Cb 0.36 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3klz h LEU 146 CO 0.01 0.46 0.43 -1.13 0.09 0.00 0.00 178.44 178.30 3klz h ASN 147 N 0.78 0.71 -0.41 -0.43 -1.24 -0.86 -0.49 115.58 113.65 3klz h ASN 147 Ca 0.24 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 3klz h ASN 147 Cb -0.02 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 3klz h ASN 147 CO -0.08 0.50 0.16 0.00 -1.29 0.00 0.00 177.43 176.71 3klz h ALA 148 N 1.29 0.53 -0.69 1.57 0.00 -0.77 -1.04 119.26 120.15 3klz h ALA 148 Ca 0.27 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3klz h ALA 148 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3klz h ALA 148 CO -0.10 0.15 0.16 0.52 0.00 0.00 0.00 179.25 179.97 3klz h MET 149 N 0.52 1.11 -0.63 0.00 2.86 -1.00 -2.41 114.93 115.38 3klz h MET 149 Ca 0.14 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 3klz h MET 149 Cb 0.20 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3klz h MET 149 CO -0.01 0.99 0.10 0.00 1.06 0.00 0.00 176.91 179.05 3klz h ALA 150 N 1.07 0.83 -0.28 6.32 0.00 -0.80 0.16 119.26 126.57 3klz h ALA 150 Ca 0.21 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3klz h ALA 150 Cb 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3klz h ALA 150 CO 0.00 0.60 0.09 0.82 0.00 0.00 0.00 179.25 180.76 3klz h ILE 151 N 0.95 0.91 -0.05 0.00 2.04 -1.06 -0.76 117.51 119.55 3klz h ILE 151 Ca 0.19 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.85 3klz h ILE 151 Cb 0.43 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3klz h ILE 151 CO 0.01 0.04 -0.53 0.28 0.00 0.00 0.00 178.15 177.95 3klz h SER 152 N 0.21 0.15 -0.53 1.72 0.02 -1.08 -3.02 113.55 111.03 3klz h SER 152 Ca 0.13 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3klz h SER 152 Cb 0.10 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3klz h SER 152 CO -0.14 0.66 0.04 1.56 -1.14 0.00 0.00 176.83 177.81 3klz h GLN 153 N 0.11 0.91 0.00 3.45 4.20 -0.25 -1.73 115.11 121.79 3klz h GLN 153 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3klz h GLN 153 Cb 0.98 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3klz h GLN 153 CO 0.08 0.91 0.00 1.25 -0.67 0.00 0.00 178.83 180.39 3klz h HIS 154 N 0.78 0.00 -0.00 2.96 2.76 -1.05 -0.79 115.15 119.81 3klz h HIS 154 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3klz h HIS 154 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 3klz h HIS 154 CO 0.03 0.00 -0.27 1.63 -1.30 0.00 0.00 177.93 178.02 3klz n LYS 155 N -2.36 0.32 -0.05 5.26 5.02 -0.66 -4.32 118.16 121.37 3klz n LYS 155 Ca 0.00 -0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.24 3klz n LYS 155 Cb 0.14 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.21 2.75 -0.58 -0.35 4.77 -0.30 -4.53 117.00 117.54 3klz n LEU 156 Ca 0.09 -1.17 0.06 0.00 -0.03 0.00 0.00 56.01 54.97 3klz n LEU 156 Cb 0.32 -0.07 0.20 0.00 -2.33 0.00 0.00 43.42 41.55 3klz n LEU 156 CO 0.29 0.52 0.37 1.41 -1.33 0.00 0.00 177.39 178.65 3klz n HIS 157 N 1.09 0.00 -2.89 -1.77 8.25 -1.25 -4.86 115.22 113.79 3klz n HIS 157 Ca 0.12 -1.43 -0.35 0.00 -0.26 0.00 0.00 57.72 55.80 3klz n HIS 157 Cb 0.49 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 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 -3.12 3.53 0.79 4.41 3.76 -1.26 -5.06 115.29 118.34 3klz s HIS 158 Ca 0.37 1.59 -0.12 0.00 -0.15 0.00 0.00 55.06 56.76 3klz s HIS 158 Cb 0.36 -2.80 0.07 0.00 1.11 0.00 0.00 32.58 31.32 3klz s HIS 158 CO -0.06 0.12 1.14 0.95 -0.85 0.00 0.00 174.74 176.04 3klz s THR 159 N -1.81 2.64 0.21 1.30 -4.23 -1.26 -4.80 115.64 107.69 3klz s THR 159 Ca 0.53 0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 61.19 3klz s THR 159 Cb -0.14 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 71.23 3klz s THR 159 CO 0.19 -0.23 1.83 0.15 -0.54 0.00 0.00 174.62 176.02 3klz h PHE 160 N -0.98 0.77 -0.48 3.99 3.04 -1.97 -0.06 116.94 121.24 3klz h PHE 160 Ca -0.45 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.49 3klz h PHE 160 Cb 1.26 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 3klz h PHE 160 CO 0.52 0.40 0.16 1.25 -2.02 0.00 0.00 178.31 178.62 3klz h LEU 161 N 0.78 0.64 0.03 0.59 5.85 -1.99 -0.83 115.31 120.38 3klz h LEU 161 Ca 0.30 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3klz h LEU 161 Cb 0.11 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3klz h LEU 161 CO -0.15 0.61 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.94 3klz h GLN 162 N 0.69 -0.03 -0.78 1.25 4.15 -1.58 -1.45 115.11 117.35 3klz h GLN 162 Ca 0.16 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3klz h GLN 162 Cb 0.19 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 3klz h GLN 162 CO -0.01 0.40 0.51 0.00 -1.93 0.00 0.00 178.83 177.81 3klz h ALA 163 N 0.48 0.99 -0.35 3.38 0.00 -0.97 -1.12 119.26 121.67 3klz h ALA 163 Ca -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3klz h ALA 163 Cb 0.45 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3klz h ALA 163 CO 0.01 0.41 0.14 0.35 0.00 0.00 0.00 179.25 180.16 3klz h PHE 164 N 1.06 0.26 -0.25 0.00 3.57 -1.12 -0.25 116.94 120.21 3klz h PHE 164 Ca 0.29 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 3klz h PHE 164 Cb -0.12 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3klz h PHE 164 CO -0.02 0.12 -0.14 0.00 -2.23 0.00 0.00 178.31 176.04 3klz h ALA 165 N 1.21 1.30 -0.26 2.41 0.00 -0.90 -0.48 119.26 122.54 3klz h ALA 165 Ca 0.16 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3klz h ALA 165 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3klz h ALA 165 CO -0.14 0.47 -0.58 -0.07 0.00 0.00 0.00 179.25 178.93 3klz h LEU 166 N 0.39 0.94 -0.53 0.00 3.38 -0.91 -1.03 115.31 117.56 3klz h LEU 166 Ca 0.07 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3klz h LEU 166 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3klz h LEU 166 CO 0.03 1.32 0.17 1.23 0.09 0.00 0.00 178.44 181.28 3klz h GLY 167 N 0.71 0.88 0.92 0.83 0.00 -0.75 -1.24 103.07 104.42 3klz h GLY 167 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3klz h GLY 167 CO 0.13 0.49 -0.04 -2.00 0.00 0.00 0.00 176.54 175.11 3klz h LEU 168 N 0.73 -0.11 -1.10 3.11 5.85 -0.91 -2.45 115.31 120.44 3klz h LEU 168 Ca 0.17 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3klz h LEU 168 Cb 0.27 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3klz h LEU 168 CO -0.01 -0.06 0.53 0.24 -0.34 0.00 0.00 178.44 178.81 3klz h MET 169 N -0.08 1.14 -0.13 1.25 2.86 -1.11 -2.46 114.93 116.41 3klz h MET 169 Ca 0.01 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3klz h MET 169 Cb 0.09 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3klz h MET 169 CO -0.03 0.78 -0.10 0.00 1.06 0.00 0.00 176.91 178.62 3klz h ASN 171 N -0.12 0.00 -0.25 0.00 -0.00 -1.20 -1.65 115.58 112.36 3klz h ASN 171 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.38 3klz h ASN 171 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 3klz h ASN 171 CO -0.20 0.30 0.16 0.40 -0.00 0.00 0.00 177.43 178.09 3klz h ILE 172 N 0.00 1.09 -0.67 2.57 2.04 -1.33 0.96 117.51 122.15 3klz h ILE 172 Ca -0.00 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3klz h ILE 172 Cb 1.09 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3klz h ILE 172 CO 0.04 0.08 0.22 -0.07 0.00 0.00 0.00 178.15 178.43 3klz h LEU 173 N 0.33 0.97 -0.22 1.44 -0.00 -1.11 -0.56 115.31 116.15 3klz h LEU 173 Ca 0.09 -0.20 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 3klz h LEU 173 Cb -0.00 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.40 3klz h LEU 173 CO -0.02 0.91 -0.15 0.58 -0.00 0.00 0.00 178.44 179.76 3klz h VAL 174 N 0.98 1.31 -0.98 1.22 2.07 -1.19 0.22 116.25 119.89 3klz h VAL 174 Ca 0.22 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3klz h VAL 174 Cb 0.28 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3klz h VAL 174 CO -0.01 0.39 0.61 0.00 0.02 0.00 0.00 177.57 178.58 3klz h LEU 176 N 1.34 0.93 0.09 0.00 3.38 -0.86 0.13 115.31 120.32 3klz h LEU 176 Ca 0.35 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3klz h LEU 176 Cb -0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.40 3klz h LEU 176 CO -0.07 0.93 -0.05 0.00 0.09 0.00 0.00 178.44 179.34 3klz h ALA 177 N 1.04 -0.13 -0.78 1.53 0.00 -0.41 -1.86 119.26 118.65 3klz h ALA 177 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3klz h ALA 177 Cb 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3klz h ALA 177 CO 0.00 -0.44 0.34 0.28 0.00 0.00 0.00 179.25 179.43 3klz h VAL 178 N -0.38 1.25 -1.00 0.00 2.07 -0.73 -2.48 116.25 114.99 3klz h VAL 178 Ca -0.01 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3klz h VAL 178 Cb 0.32 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3klz h VAL 178 CO 0.02 0.31 0.66 -0.25 0.02 0.00 0.00 177.57 178.33 3klz h TRP 179 N 1.12 1.23 -0.65 1.57 2.91 -0.54 -2.27 115.95 119.32 3klz h TRP 179 Ca 0.26 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.31 3klz h TRP 179 Cb 0.16 -0.41 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 3klz h TRP 179 CO 0.02 0.71 0.39 0.52 -1.03 0.00 0.00 178.44 179.05 3klz h MET 180 N 1.27 0.88 -0.42 2.65 2.86 -0.88 -2.44 114.93 118.86 3klz h MET 180 Ca 0.40 -0.08 0.12 0.00 -2.06 0.00 0.00 59.70 58.08 3klz h MET 180 Cb -0.01 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 3klz h MET 180 CO -0.12 0.63 0.31 1.79 1.06 0.00 0.00 176.91 180.58 3klz h THR 181 N 0.88 0.78 -0.20 2.22 1.35 -1.23 -0.65 112.91 116.06 3klz h THR 181 Ca 0.23 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.15 3klz h THR 181 Cb -0.02 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3klz h THR 181 CO -0.04 0.00 0.26 -0.26 -0.25 0.00 0.00 175.52 175.23 3klz h PHE 182 N 0.00 0.00 -0.25 4.73 0.04 -1.35 0.35 116.94 120.46 3klz h PHE 182 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3klz h PHE 182 Cb 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 3klz h PHE 182 CO 0.00 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.14 3klz n SER 183 N -3.63 2.85 -4.76 2.17 7.64 -0.25 -4.97 113.62 112.67 3klz n SER 183 Ca 0.02 -1.90 -0.40 0.00 1.01 0.00 0.00 58.87 57.60 3klz n SER 183 Cb 0.38 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3klz n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3klz s ALA 184 N -1.69 3.43 -1.77 -0.43 0.00 0.12 -4.95 121.76 116.47 3klz s ALA 184 Ca 0.35 1.06 0.16 0.00 0.00 0.00 0.00 51.96 53.53 3klz s ALA 184 Cb 0.21 -3.40 0.28 0.00 0.00 0.00 0.00 23.12 20.22 3klz s ALA 184 CO 0.30 -0.39 1.19 0.54 0.00 0.00 0.00 175.76 177.40 3klz n ARG 185 N 0.93 2.01 -3.70 0.00 1.74 -1.26 -5.02 116.66 111.36 3klz n ARG 185 Ca -0.00 -1.88 -0.01 0.00 -0.77 0.00 0.00 57.85 55.19 3klz n ARG 185 Cb 0.44 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 3klz n ARG 185 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3klz s SER 186 N -1.21 -0.11 0.24 0.55 1.04 -1.26 -5.00 113.70 107.94 3klz s SER 186 Ca 0.27 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.44 3klz s SER 186 Cb 0.16 0.33 0.27 0.00 0.10 0.00 0.00 66.02 66.88 3klz s SER 186 CO 0.22 -0.61 1.59 -0.07 0.98 0.00 0.00 173.24 175.35 3klz h LEU 187 N 2.00 0.38 -0.77 2.42 3.38 -2.00 -2.78 115.31 117.94 3klz h LEU 187 Ca -0.27 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.53 3klz h LEU 187 Cb 1.22 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3klz h LEU 187 CO 0.27 0.83 0.50 0.74 0.09 0.00 0.00 178.44 180.87 3klz h THR 188 N 0.27 1.16 -1.00 0.22 2.02 -2.00 -1.90 112.91 111.68 3klz h THR 188 Ca 0.01 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 66.95 3klz h THR 188 Cb 1.00 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 3klz h THR 188 CO 0.09 0.18 0.63 0.44 0.37 0.00 0.00 175.52 177.23 3klz h ASP 189 N 1.00 0.96 -0.07 4.18 5.19 -1.89 -0.90 116.42 124.90 3klz h ASP 189 Ca 0.29 0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.63 3klz h ASP 189 Cb -0.05 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 39.30 3klz h ASP 189 CO -0.09 0.55 -0.38 0.11 -3.12 0.00 0.00 179.24 176.32 3klz h LYS 190 N 1.06 0.38 -0.15 3.56 1.57 -1.26 -2.39 116.57 119.34 3klz h LYS 190 Ca 0.47 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3klz h LYS 190 Cb 0.37 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3klz h LYS 190 CO -0.23 0.96 -0.07 0.28 -0.57 0.00 0.00 179.45 179.82 3klz h VAL 191 N -0.10 0.77 -0.84 0.50 2.07 -1.26 -1.56 116.25 115.84 3klz h VAL 191 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3klz h VAL 191 Cb 1.04 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3klz h VAL 191 CO 0.08 0.00 0.54 0.24 0.02 0.00 0.00 177.57 178.45 3klz h MET 192 N -0.05 0.80 0.00 1.57 2.86 -1.12 -2.40 114.93 116.58 3klz h MET 192 Ca 0.08 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3klz h MET 192 Cb 0.18 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3klz h MET 192 CO -0.19 0.53 -0.97 1.33 1.06 0.00 0.00 176.91 178.67 3klz n VAL 193 N -4.51 0.54 0.06 -2.22 0.24 -0.90 -4.22 118.33 107.32 3klz n VAL 193 Ca 0.14 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.34 61.90 3klz n VAL 193 Cb 0.30 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.00 0.48 1.34 3.38 -0.80 -3.40 115.31 116.32 3klz h LEU 194 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3klz h LEU 194 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3klz h LEU 194 CO 0.00 0.88 -0.23 0.40 0.09 0.00 0.00 178.44 179.58 3klz h ILE 195 N 0.00 0.51 -0.29 1.22 2.04 -1.64 -2.83 117.51 116.51 3klz h ILE 195 Ca -0.05 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3klz h ILE 195 Cb 1.72 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3klz h ILE 195 CO 0.11 0.03 -0.08 -0.07 0.00 0.00 0.00 178.15 178.14 3klz h LEU 196 N -0.76 0.57 -1.09 1.44 3.38 -1.82 0.88 115.31 117.91 3klz h LEU 196 Ca -0.07 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.56 3klz h LEU 196 Cb 0.55 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3klz h LEU 196 CO 0.11 0.81 0.61 -0.65 0.09 0.00 0.00 178.44 179.41 3klz h PRO 197 N 0.33 1.17 -0.12 1.13 0.11 -1.76 0.48 132.00 133.33 3klz h PRO 197 Ca 0.07 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 3klz h PRO 197 Cb 0.56 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3klz h PRO 197 CO 0.03 0.77 -0.19 0.28 -0.21 0.00 0.00 178.00 178.69 3klz h VAL 198 N 1.20 1.37 -0.87 3.15 2.07 -1.36 -1.82 116.25 120.00 3klz h VAL 198 Ca 0.36 -1.43 0.07 0.00 0.82 0.00 0.00 66.70 66.53 3klz h VAL 198 Cb -0.04 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3klz h VAL 198 CO -0.10 0.41 0.57 0.00 0.02 0.00 0.00 177.57 178.47 3klz h ALA 199 N 0.55 1.58 0.39 1.67 0.00 -0.39 -1.44 119.26 121.62 3klz h ALA 199 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3klz h ALA 199 Cb 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3klz h ALA 199 CO 0.04 0.28 -0.19 1.98 0.00 0.00 0.00 179.25 181.36 3klz h MET 200 N 0.95 -0.50 -0.67 0.00 -1.53 0.08 -1.15 114.93 112.10 3klz h MET 200 Ca 0.38 0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.66 3klz h MET 200 Cb 0.27 0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.40 3klz h MET 200 CO -0.15 -0.22 0.34 0.27 0.14 0.00 0.00 176.91 177.29 3klz h PHE 201 N -0.75 0.94 -0.15 1.39 -5.15 -1.17 -1.14 116.94 110.91 3klz h PHE 201 Ca -0.05 -0.04 -0.02 0.00 -0.20 0.00 0.00 57.97 57.66 3klz h PHE 201 Cb 0.51 -0.30 -0.01 0.00 0.22 0.00 0.00 35.95 36.38 3klz h PHE 201 CO 0.00 0.70 0.02 0.28 -2.00 0.00 0.00 178.31 177.31 3klz h VAL 202 N 0.92 1.23 0.00 0.88 2.07 -1.30 -1.09 116.25 118.96 3klz h VAL 202 Ca 0.23 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3klz h VAL 202 Cb 0.09 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3klz h VAL 202 CO -0.03 0.22 -0.08 0.77 0.02 0.00 0.00 177.57 178.47 3klz h SER 203 N 0.02 0.00 0.41 0.57 4.64 -1.12 -1.80 113.55 116.28 3klz h SER 203 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3klz h SER 203 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3klz h SER 203 CO 0.00 0.08 -0.07 -1.20 -0.87 0.00 0.00 176.83 174.77 3klz n SER 204 N -3.26 0.31 -0.56 4.97 7.64 -0.44 -4.88 113.62 117.40 3klz n SER 204 Ca -0.00 -0.46 -0.07 0.00 1.01 0.00 0.00 58.87 59.34 3klz n SER 204 Cb 0.30 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.27 0.94 3.76 0.23 0.00 -0.68 -5.02 105.19 105.70 3klz n GLY 205 Ca 0.15 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.24 2.62 -0.19 1.61 0.08 -0.43 -4.97 117.98 114.45 3klz s PHE 206 Ca 0.00 1.48 -0.05 0.00 0.12 0.00 0.00 56.93 58.48 3klz s PHE 206 Cb 0.00 -3.52 -0.03 0.00 -0.57 0.00 0.00 43.02 38.90 3klz s PHE 206 CO 0.00 -2.04 0.01 -1.21 -0.10 0.00 0.00 175.22 171.87 3klz s GLU 207 N -2.87 3.71 -0.22 0.44 0.41 -0.94 -4.74 118.70 114.49 3klz s GLU 207 Ca 0.68 -0.48 -0.04 0.00 -0.41 0.00 0.00 54.97 54.72 3klz s GLU 207 Cb -0.32 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 28.95 3klz s GLU 207 CO 0.38 0.12 -0.04 -1.58 -0.49 0.00 0.00 175.26 173.65 3klz s HIS 208 N 0.72 2.96 0.25 1.61 2.46 -1.26 -4.09 115.29 117.94 3klz s HIS 208 Ca 0.00 -0.94 -0.05 0.00 0.47 0.00 0.00 55.06 54.55 3klz s HIS 208 Cb -0.14 -2.10 0.30 0.00 -0.13 0.00 0.00 32.58 30.50 3klz s HIS 208 CO 0.02 -0.55 1.86 0.00 -2.47 0.00 0.00 174.74 173.60 3klz h ILE 210 N 1.10 1.36 -0.90 0.00 1.08 -1.98 -1.04 117.51 117.12 3klz h ILE 210 Ca 0.27 -1.48 0.06 0.00 -0.39 0.00 0.00 64.86 63.33 3klz h ILE 210 Cb 0.10 1.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 3klz h ILE 210 CO -0.03 0.44 0.59 0.00 -0.69 0.00 0.00 178.15 178.45 3klz h ALA 211 N 0.57 1.51 -0.18 1.87 0.00 -1.85 -0.65 119.26 120.53 3klz h ALA 211 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3klz h ALA 211 Cb 0.82 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3klz h ALA 211 CO 0.06 0.35 -0.14 -0.91 0.00 0.00 0.00 179.25 178.61 3klz h ASN 212 N 1.03 0.27 -0.41 0.00 2.35 -0.78 -0.15 115.58 117.89 3klz h ASN 212 Ca 0.39 -0.06 0.05 0.00 -0.55 0.00 0.00 56.30 56.12 3klz h ASN 212 Cb 0.20 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3klz h ASN 212 CO -0.14 0.44 0.27 0.24 -1.65 0.00 0.00 177.43 176.59 3klz h MET 213 N 0.27 0.36 0.02 0.81 2.86 0.23 -1.89 114.93 117.58 3klz h MET 213 Ca 0.05 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 3klz h MET 213 Cb 0.41 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3klz h MET 213 CO 0.02 0.24 -0.58 0.35 1.06 0.00 0.00 176.91 178.00 3klz h PHE 214 N 0.37 0.07 -0.21 -0.22 3.57 -1.27 -3.38 116.94 115.87 3klz h PHE 214 Ca 0.17 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3klz h PHE 214 Cb 0.23 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3klz h PHE 214 CO -0.00 1.23 0.03 0.37 -2.23 0.00 0.00 178.31 177.70 3klz h GLN 215 N -0.90 0.35 -0.01 1.11 5.75 -0.76 0.51 115.11 121.15 3klz h GLN 215 Ca -0.15 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3klz h GLN 215 Cb 1.20 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 3klz h GLN 215 CO -0.05 0.51 -0.01 0.28 -2.65 0.00 0.00 178.83 176.90 3klz h VAL 216 N 0.14 1.44 0.00 2.39 2.07 -1.61 -2.20 116.25 118.48 3klz h VAL 216 Ca 0.06 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3klz h VAL 216 Cb 0.33 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3klz h VAL 216 CO 0.01 0.34 -0.06 -0.65 0.02 0.00 0.00 177.57 177.23 3klz h PRO 217 N -0.52 0.00 -0.49 1.57 0.11 -1.73 -0.27 132.00 130.67 3klz h PRO 217 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3klz h PRO 217 Cb 0.57 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3klz h PRO 217 CO 0.00 0.06 0.31 1.98 -0.21 0.00 0.00 178.00 180.14 3klz h MET 218 N 0.00 0.65 -0.56 1.05 4.05 -0.73 0.42 114.93 119.81 3klz h MET 218 Ca -0.00 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 3klz h MET 218 Cb 0.11 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3klz h MET 218 CO 0.01 0.46 -0.04 0.00 0.23 0.00 0.00 176.91 177.57 3klz h ALA 219 N 1.16 0.76 -0.51 0.39 0.00 -0.57 0.20 119.26 120.68 3klz h ALA 219 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3klz h ALA 219 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3klz h ALA 219 CO -0.04 0.63 0.25 0.82 0.00 0.00 0.00 179.25 180.91 3klz h ILE 220 N 0.90 1.19 -0.74 0.00 2.04 -0.96 -1.29 117.51 118.66 3klz h ILE 220 Ca 0.15 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3klz h ILE 220 Cb 0.60 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3klz h ILE 220 CO 0.04 0.22 0.49 1.23 0.00 0.00 0.00 178.15 180.12 3klz h GLY 221 N 0.68 1.03 0.66 5.37 0.00 -0.47 -2.22 103.07 108.12 3klz h GLY 221 Ca 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3klz h GLY 221 CO -0.02 0.32 -0.05 -2.22 0.00 0.00 0.00 176.54 174.57 3klz h ILE 222 N 0.92 1.34 -0.60 2.60 2.04 -0.47 -1.33 117.51 122.01 3klz h ILE 222 Ca 0.29 -1.13 0.08 0.00 1.00 0.00 0.00 64.86 65.11 3klz h ILE 222 Cb 0.02 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3klz h ILE 222 CO -0.08 0.31 0.40 0.50 0.00 0.00 0.00 178.15 179.29 3klz h LYS 223 N -0.22 0.47 0.03 2.37 3.64 -1.02 -0.83 116.57 121.01 3klz h LYS 223 Ca 0.02 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3klz h LYS 223 Cb 0.53 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3klz h LYS 223 CO 0.01 0.31 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.40 3klz h TYR 224 N 0.48 0.13 -0.01 1.91 3.20 -1.36 -3.37 116.97 117.95 3klz h TYR 224 Ca 0.27 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3klz h TYR 224 Cb 0.44 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3klz h TYR 224 CO -0.00 1.05 -0.11 1.19 -1.64 0.00 0.00 178.16 178.64 3klz n PHE 225 N -4.51 0.00 -2.09 -3.82 3.72 -0.51 -4.90 117.46 105.35 3klz n PHE 225 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3klz n PHE 225 Cb 0.55 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3klz n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3klz s ALA 226 N -2.23 3.61 1.11 4.37 0.00 -0.33 -5.00 121.76 123.29 3klz s ALA 226 Ca 0.32 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 3klz s ALA 226 Cb 0.20 -3.54 0.25 0.00 0.00 0.00 0.00 23.12 20.03 3klz s ALA 226 CO 0.42 -0.66 1.09 -2.14 0.00 0.00 0.00 175.76 174.46 3klz s PRO 227 N 0.12 -0.51 0.34 0.00 0.02 -1.26 -4.94 135.00 128.77 3klz s PRO 227 Ca 0.61 0.30 0.06 0.00 0.02 0.00 0.00 61.00 61.98 3klz s PRO 227 Cb -0.40 -1.65 0.62 0.00 0.02 0.00 0.00 34.50 33.10 3klz s PRO 227 CO 0.38 -3.31 1.85 0.93 -0.33 0.00 0.00 177.00 176.52 3klz h GLU 228 N -2.31 0.39 -0.27 5.54 5.08 -2.00 -3.05 114.58 117.96 3klz h GLU 228 Ca -0.52 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 3klz h GLU 228 Cb 1.32 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3klz h GLU 228 CO 0.47 0.52 -0.03 0.66 -1.00 0.00 0.00 179.01 179.64 3klz h SER 229 N 0.36 0.38 -0.46 1.42 4.64 -1.98 0.34 113.55 118.25 3klz h SER 229 Ca 0.07 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3klz h SER 229 Cb 0.45 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 3klz h SER 229 CO 0.03 0.47 0.24 0.15 -0.87 0.00 0.00 176.83 176.85 3klz h PHE 230 N 0.40 0.45 -0.13 4.77 3.04 -1.89 0.46 116.94 124.04 3klz h PHE 230 Ca 0.09 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.93 3klz h PHE 230 Cb 0.31 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 3klz h PHE 230 CO 0.01 0.24 -0.46 -1.49 -2.02 0.00 0.00 178.31 174.59 3klz h TRP 231 N 0.48 0.37 -0.01 0.41 4.06 -1.28 -2.39 115.95 117.59 3klz h TRP 231 Ca 0.20 -0.11 -0.19 0.00 2.06 0.00 0.00 58.89 60.85 3klz h TRP 231 Cb 0.08 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3klz h TRP 231 CO -0.09 0.71 -0.83 0.00 -3.56 0.00 0.00 178.44 174.67 3klz h ALA 232 N 1.27 0.59 -0.01 1.49 0.00 -0.71 -1.25 119.26 120.64 3klz h ALA 232 Ca 0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 3klz h ALA 232 Cb 0.90 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3klz h ALA 232 CO 0.07 0.90 -0.89 0.52 0.00 0.00 0.00 179.25 179.86 3klz h MET 233 N 0.10 0.32 0.00 0.00 2.86 -0.83 -3.22 114.93 114.16 3klz h MET 233 Ca -0.03 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3klz h MET 233 Cb 1.44 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.19 3klz h MET 233 CO 0.12 1.03 -0.74 1.79 1.06 0.00 0.00 176.91 180.17 3klz h THR 234 N 0.19 0.00 -1.59 2.22 1.35 -1.48 -3.48 112.91 110.11 3klz h THR 234 Ca -0.06 -0.75 -0.34 0.00 -0.55 0.00 0.00 66.41 64.71 3klz h THR 234 Cb 1.51 1.33 -0.08 0.00 -1.73 0.00 0.00 68.15 69.19 3klz h THR 234 CO 0.15 0.00 -0.37 0.61 -0.25 0.00 0.00 175.52 175.66 3klz n GLY 235 N 1.25 0.67 3.89 5.82 0.00 -0.51 -5.01 105.19 111.30 3klz n GLY 235 Ca 0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.73 3.98 0.03 4.61 0.00 -0.99 -5.04 121.76 121.63 3klz s ALA 236 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.29 3klz s ALA 236 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 3klz s ALA 236 CO 0.00 -0.06 -0.04 0.54 0.00 0.00 0.00 175.76 176.20 3klz s ASN 237 N -4.07 0.46 0.59 0.00 2.20 -1.26 -4.62 114.94 108.25 3klz s ASN 237 Ca 0.44 -0.58 0.30 0.00 -0.94 0.00 0.00 52.86 52.07 3klz s ASN 237 Cb -0.06 0.09 1.82 0.00 -2.00 0.00 0.00 41.25 41.10 3klz s ASN 237 CO 0.28 -0.31 2.25 -0.29 -2.94 0.00 0.00 177.10 176.09 3klz h ILE 238 N 4.39 0.52 -0.83 0.54 2.10 -1.99 -0.72 117.51 121.52 3klz h ILE 238 Ca -0.33 -0.03 0.09 0.00 1.08 0.00 0.00 64.86 65.67 3klz h ILE 238 Cb 1.20 1.02 -0.06 0.00 -1.09 0.00 0.00 36.82 37.89 3klz h ILE 238 CO 0.44 0.01 0.54 0.00 -1.08 0.00 0.00 178.15 178.06 3klz h ALA 239 N 1.99 1.70 0.00 0.18 0.00 -2.00 -1.68 119.26 119.45 3klz h ALA 239 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3klz h ALA 239 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3klz h ALA 239 CO 0.00 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.42 3klz n GLN 240 N -4.51 0.09 -0.42 0.00 6.02 -0.28 -2.67 117.38 115.61 3klz n GLN 240 Ca 0.14 0.23 0.07 0.00 -0.01 0.00 0.00 57.00 57.43 3klz n GLN 240 Cb 0.31 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.31 0.00 -0.07 1.08 4.02 -0.63 -4.76 117.16 115.48 3klz n TYR 241 Ca 0.03 -0.97 0.22 0.00 -0.01 0.00 0.00 57.90 57.17 3klz n TYR 241 Cb 0.06 -0.17 0.67 0.00 -0.02 0.00 0.00 39.34 39.88 3klz n TYR 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3klz h ALA 242 N 0.39 2.53 0.00 -0.72 0.00 -1.59 0.76 119.26 120.62 3klz h ALA 242 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3klz h ALA 242 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3klz h ALA 242 CO 0.01 -0.72 0.00 0.38 0.00 0.00 0.00 179.25 178.92 3klz h ASP 243 N 0.07 0.00 -1.43 0.00 2.03 -1.88 -3.39 116.42 111.82 3klz h ASP 243 Ca 0.32 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.92 3klz h ASP 243 Cb 1.17 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.55 3klz h ASP 243 CO -0.02 0.00 1.81 -0.22 -1.03 0.00 0.00 179.24 179.77 3klz s LEU 244 N -4.63 4.33 0.21 0.15 2.96 0.26 -4.78 118.68 117.19 3klz s LEU 244 Ca 0.04 -2.61 -0.05 0.00 -0.22 0.00 0.00 54.13 51.29 3klz s LEU 244 Cb 0.09 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3klz s LEU 244 CO 0.41 -1.02 0.26 0.54 -1.32 0.00 0.00 176.35 175.22 3klz s ASN 245 N 3.70 0.06 0.22 3.68 2.20 -1.26 -4.78 114.94 118.76 3klz s ASN 245 Ca 0.49 -1.21 -0.03 0.00 -0.94 0.00 0.00 52.86 51.17 3klz s ASN 245 Cb 0.01 0.45 0.21 0.00 -2.00 0.00 0.00 41.25 39.93 3klz s ASN 245 CO 0.04 -0.95 1.63 -0.26 -2.94 0.00 0.00 177.10 174.61 3klz h PHE 246 N 2.49 0.79 -0.14 1.54 0.04 -1.98 -1.49 116.94 118.20 3klz h PHE 246 Ca -0.32 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.23 3klz h PHE 246 Cb 1.25 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 3klz h PHE 246 CO 0.37 0.89 0.00 0.28 -0.60 0.00 0.00 178.31 179.26 3klz h VAL 247 N 0.59 1.25 -0.28 -0.55 2.07 -1.97 -0.81 116.25 116.55 3klz h VAL 247 Ca 0.07 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3klz h VAL 247 Cb 0.78 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3klz h VAL 247 CO 0.06 0.23 -0.04 0.78 0.02 0.00 0.00 177.57 178.63 3klz h ASN 248 N -0.01 -0.20 0.11 0.57 2.35 -1.85 -1.06 115.58 115.48 3klz h ASN 248 Ca 0.04 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3klz h ASN 248 Cb 0.35 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 3klz h ASN 248 CO 0.01 -0.07 -0.43 0.15 -1.65 0.00 0.00 177.43 175.44 3klz h PHE 249 N 0.03 -1.24 -0.33 1.19 3.57 -1.11 0.18 116.94 119.23 3klz h PHE 249 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3klz h PHE 249 Cb 0.19 0.53 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3klz h PHE 249 CO -0.25 -0.49 0.18 0.82 -2.23 0.00 0.00 178.31 176.35 3klz h ILE 250 N -0.62 1.14 -0.01 1.41 2.04 -1.05 0.58 117.51 121.01 3klz h ILE 250 Ca -0.01 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3klz h ILE 250 Cb 0.62 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3klz h ILE 250 CO -0.23 0.14 -0.07 0.58 0.00 0.00 0.00 178.15 178.57 3klz h VAL 251 N 0.41 1.56 0.00 1.67 2.07 -1.16 -1.93 116.25 118.88 3klz h VAL 251 Ca 0.12 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 3klz h VAL 251 Cb 0.07 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3klz h VAL 251 CO -0.02 0.47 -0.70 0.78 0.02 0.00 0.00 177.57 178.12 3klz h ASN 252 N -0.64 0.00 0.00 0.57 2.35 -0.68 -3.41 115.58 113.76 3klz h ASN 252 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3klz h ASN 252 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3klz h ASN 252 CO 0.01 0.00 0.00 -3.20 -1.65 0.00 0.00 177.43 172.60 3klz n ASN 253 N -2.81 0.86 -0.24 5.81 5.15 -0.07 -4.69 115.26 119.27 3klz n ASN 253 Ca 0.01 0.13 -0.00 0.00 -0.60 0.00 0.00 54.58 54.12 3klz n ASN 253 Cb 0.55 -0.25 0.12 0.00 -0.53 0.00 0.00 39.78 39.67 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 0.55 0.52 1.20 6.46 -0.93 -1.23 115.31 121.87 3klz h LEU 254 Ca 0.00 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 3klz h LEU 254 Cb 0.00 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3klz h LEU 254 CO 0.00 0.34 -0.25 0.40 -0.62 0.00 0.00 178.44 178.31 3klz h ILE 255 N 0.68 0.30 -0.90 4.05 2.04 -1.58 -1.63 117.51 120.47 3klz h ILE 255 Ca 0.33 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3klz h ILE 255 Cb 0.25 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3klz h ILE 255 CO -0.21 0.05 0.59 -0.65 0.00 0.00 0.00 178.15 177.92 3klz h PRO 256 N -1.03 1.15 -0.24 2.37 0.11 -1.79 0.27 132.00 132.83 3klz h PRO 256 Ca -0.07 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 3klz h PRO 256 Cb 0.61 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3klz h PRO 256 CO 0.12 0.76 -0.18 0.28 -0.21 0.00 0.00 178.00 178.77 3klz h VAL 257 N 1.18 1.31 -0.47 3.15 2.07 -1.30 0.10 116.25 122.29 3klz h VAL 257 Ca 0.34 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3klz h VAL 257 Cb -0.09 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3klz h VAL 257 CO -0.09 0.41 0.31 0.74 0.02 0.00 0.00 177.57 178.95 3klz h THR 258 N 0.25 1.13 -0.54 2.57 2.02 -1.06 0.43 112.91 117.71 3klz h THR 258 Ca 0.05 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3klz h THR 258 Cb 0.71 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3klz h THR 258 CO 0.05 0.12 0.30 -0.07 0.37 0.00 0.00 175.52 176.29 3klz h LEU 259 N 0.64 0.45 -0.26 2.58 3.38 -0.79 -0.73 115.31 120.58 3klz h LEU 259 Ca 0.17 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3klz h LEU 259 Cb -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3klz h LEU 259 CO -0.04 0.31 0.16 1.23 0.09 0.00 0.00 178.44 180.20 3klz h GLY 260 N 0.58 0.38 0.26 0.83 0.00 -0.11 -1.32 103.07 103.70 3klz h GLY 260 Ca 0.23 -0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.52 3klz h GLY 260 CO -0.13 0.15 0.25 3.43 0.00 0.00 0.00 176.54 180.24 3klz h ASN 261 N 0.33 0.22 0.22 0.19 2.35 0.16 -0.36 115.58 118.69 3klz h ASN 261 Ca 0.09 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3klz h ASN 261 Cb 0.01 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3klz h ASN 261 CO -0.02 0.11 -0.10 0.40 -1.65 0.00 0.00 177.43 176.17 3klz h ILE 262 N 0.41 0.81 -0.45 2.81 2.04 -0.84 -1.57 117.51 120.71 3klz h ILE 262 Ca 0.35 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 3klz h ILE 262 Cb 0.49 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3klz h ILE 262 CO -0.36 0.02 0.17 0.58 0.00 0.00 0.00 178.15 178.56 3klz h VAL 263 N -0.34 1.18 -0.32 1.67 2.07 -0.86 0.23 116.25 119.87 3klz h VAL 263 Ca -0.03 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3klz h VAL 263 Cb 0.26 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3klz h VAL 263 CO 0.05 0.22 0.11 1.23 0.02 0.00 0.00 177.57 179.20 3klz h GLY 264 N 0.80 0.53 1.38 2.17 0.00 -0.84 0.40 103.07 107.51 3klz h GLY 264 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3klz h GLY 264 CO -0.01 0.28 0.24 -1.33 0.00 0.00 0.00 176.54 175.72 3klz h GLY 265 N 0.37 0.87 0.98 4.60 0.00 -0.94 -2.48 103.07 106.46 3klz h GLY 265 Ca 0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3klz h GLY 265 CO -0.01 0.40 0.08 -1.33 0.00 0.00 0.00 176.54 175.68 3klz h GLY 266 N 0.92 0.87 1.14 4.60 0.00 -0.17 -0.96 103.07 109.47 3klz h GLY 266 Ca 0.20 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3klz h GLY 266 CO -0.02 0.54 0.58 -2.08 0.00 0.00 0.00 176.54 175.55 3klz h VAL 267 N 0.68 1.22 -0.02 4.60 2.07 -0.04 -0.17 116.25 124.59 3klz h VAL 267 Ca 0.15 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3klz h VAL 267 Cb 0.39 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3klz h VAL 267 CO 0.01 0.22 -0.20 0.15 0.02 0.00 0.00 177.57 177.76 3klz h PHE 268 N 1.18 0.25 -0.43 1.57 3.04 -1.12 -2.26 116.94 119.16 3klz h PHE 268 Ca 0.32 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 62.19 3klz h PHE 268 Cb -0.13 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.30 3klz h PHE 268 CO -0.00 0.86 0.21 0.28 -2.02 0.00 0.00 178.31 177.64 3klz h VAL 269 N -0.44 0.95 0.00 1.41 2.07 -1.18 -1.46 116.25 117.60 3klz h VAL 269 Ca -0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3klz h VAL 269 Cb 0.90 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3klz h VAL 269 CO 0.04 0.08 -0.03 1.23 0.02 0.00 0.00 177.57 178.90 3klz h GLY 270 N 0.42 0.00 1.10 2.17 0.00 -1.03 -0.23 103.07 105.50 3klz h GLY 270 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.25 3klz h GLY 270 CO -0.14 0.00 -1.13 1.98 0.00 0.00 0.00 176.54 177.24 3klz h MET 271 N 0.00 0.55 -0.38 4.80 -1.53 -0.77 -3.04 114.93 114.56 3klz h MET 271 Ca -0.00 -0.76 -0.03 0.00 -3.44 0.00 0.00 59.70 55.47 3klz h MET 271 Cb 0.08 0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 31.37 3klz h MET 271 CO 0.00 1.34 0.12 2.35 0.14 0.00 0.00 176.91 180.87 3klz h TRP 272 N 0.12 0.62 -0.57 1.39 7.01 -0.26 -2.28 115.95 121.97 3klz h TRP 272 Ca -0.18 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.71 3klz h TRP 272 Cb 1.83 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 28.69 3klz h TRP 272 CO 0.13 0.58 0.17 -0.92 -2.79 0.00 0.00 178.44 175.61 3klz h TYR 273 N 0.47 0.93 -0.89 2.65 3.20 -1.19 -0.88 116.97 121.27 3klz h TYR 273 Ca 0.12 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3klz h TYR 273 Cb 0.25 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3klz h TYR 273 CO 0.01 0.79 0.49 -1.49 -1.64 0.00 0.00 178.16 176.32 3klz h TRP 274 N 0.81 1.21 -0.07 -3.82 4.06 -1.40 -1.38 115.95 115.35 3klz h TRP 274 Ca 0.18 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 3klz h TRP 274 Cb 0.30 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3klz h TRP 274 CO 0.02 0.83 0.02 -0.07 -3.56 0.00 0.00 178.44 175.68 3klz h LEU 275 N 1.24 0.11 -0.32 -4.49 3.38 -1.10 -2.23 115.31 111.89 3klz h LEU 275 Ca 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3klz h LEU 275 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3klz h LEU 275 CO -0.05 0.30 0.03 -0.38 0.09 0.00 0.00 178.44 178.43 3klz n ILE 276 N -4.91 1.69 0.01 1.22 2.08 -0.36 -1.89 119.36 117.20 3klz n ILE 276 Ca -0.06 0.56 0.04 0.00 0.56 0.00 0.00 62.75 63.85 3klz n ILE 276 Cb 0.14 -1.56 -0.11 0.00 -0.75 0.00 0.00 39.64 37.36 3klz n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3klz n TYR 277 N -1.66 0.47 -3.14 1.39 9.36 -0.56 -4.68 117.16 118.34 3klz n TYR 277 Ca -0.00 0.15 -0.22 0.00 3.32 0.00 0.00 57.90 61.14 3klz n TYR 277 Cb 0.03 -0.84 -0.05 0.00 -0.63 0.00 0.00 39.34 37.85 3klz n TYR 277 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3klz n LEU 278 N -2.60 -0.12 0.00 2.98 -0.00 -0.79 -5.10 117.00 111.37 3klz n LEU 278 Ca -0.10 -4.56 0.00 0.00 -0.00 0.00 0.00 56.01 51.35 3klz n LEU 278 Cb 0.74 0.67 0.00 0.00 -0.00 0.00 0.00 43.42 44.83 3klz n LEU 278 CO 0.43 2.08 0.07 2.29 -0.00 0.00 0.00 177.39 182.26