#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzl n ASN 2 N 0.00 0.00 0.08 0.00 3.02 -1.26 -1.29 115.26 115.82 3kzl n ASN 2 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 3kzl n ASN 2 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3kzl n ASN 2 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3kzl h ASP 3 N 0.00 0.14 0.11 6.41 3.32 -2.05 -2.73 116.42 121.62 3kzl h ASP 3 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3kzl h ASP 3 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3kzl h ASP 3 CO 0.00 1.01 -0.05 0.40 -1.72 0.00 0.00 179.24 178.88 3kzl h ILE 4 N 0.04 0.96 -0.56 0.35 2.04 -1.58 -1.27 117.51 117.50 3kzl h ILE 4 Ca -0.04 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3kzl h ILE 4 Cb 1.65 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 3kzl h ILE 4 CO 0.14 0.07 0.23 0.58 0.00 0.00 0.00 178.15 179.16 3kzl h VAL 5 N -0.28 0.84 -0.68 1.67 2.07 -1.83 -2.78 116.25 115.26 3kzl h VAL 5 Ca -0.02 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3kzl h VAL 5 Cb 0.23 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3kzl h VAL 5 CO 0.03 0.08 0.25 0.00 0.02 0.00 0.00 177.57 177.94 3kzl h ALA 6 N 1.36 1.16 0.00 1.67 0.00 -1.33 -2.30 119.26 119.81 3kzl h ALA 6 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kzl h ALA 6 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kzl h ALA 6 CO -0.25 0.60 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3kzl n SER 7 N -4.29 0.00 -4.21 0.00 3.41 -0.49 -4.75 113.62 103.30 3kzl n SER 7 Ca 0.06 -1.33 -0.30 0.00 -0.26 0.00 0.00 58.87 57.03 3kzl n SER 7 Cb 0.19 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.98 3kzl n SER 7 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kzl s THR 8 N -2.00 1.87 -0.16 6.66 2.01 -0.87 -4.96 115.64 118.20 3kzl s THR 8 Ca 0.17 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 3kzl s THR 8 Cb 0.08 -1.61 -0.23 0.00 0.01 0.00 0.00 72.50 70.75 3kzl s THR 8 CO 0.13 0.52 0.45 1.56 -0.69 0.00 0.00 174.62 176.59 3kzl h GLN 9 N 6.43 0.09 -5.01 4.92 1.08 -1.85 -3.48 115.11 117.29 3kzl h GLN 9 Ca -0.27 -0.15 -0.35 0.00 -1.45 0.00 0.00 58.65 56.42 3kzl h GLN 9 Cb 1.20 0.06 -0.21 0.00 -0.05 0.00 0.00 27.48 28.48 3kzl h GLN 9 CO 0.47 1.07 -0.76 -0.51 -0.95 0.00 0.00 178.83 178.16 3kzl s LEU 10 N -7.81 2.27 0.31 1.46 1.43 -1.26 -5.12 118.68 109.97 3kzl s LEU 10 Ca -0.24 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 51.99 3kzl s LEU 10 Cb 0.04 -0.36 -0.13 0.00 0.03 0.00 0.00 46.19 45.76 3kzl s LEU 10 CO 0.68 -0.14 1.22 -2.65 0.23 0.00 0.00 176.35 175.70 3kzl n PRO 11 N 1.33 1.90 -2.80 1.29 -0.02 -1.26 -4.91 135.00 130.53 3kzl n PRO 11 Ca -0.22 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 3kzl n PRO 11 Cb 0.54 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 3kzl n PRO 11 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kzl s ASN 12 N -0.31 7.41 0.32 2.55 0.01 -0.33 -4.94 114.94 119.65 3kzl s ASN 12 Ca 0.58 1.83 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 3kzl s ASN 12 Cb -0.62 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.43 3kzl s ASN 12 CO 0.60 0.01 0.13 0.42 -1.51 0.00 0.00 177.10 176.76 3kzl s THR 13 N -1.48 0.51 0.19 1.60 -4.23 -1.26 -0.94 115.64 110.03 3kzl s THR 13 Ca 0.47 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 3kzl s THR 13 Cb -0.21 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.23 3kzl s THR 13 CO 0.26 0.00 1.68 0.40 -0.54 0.00 0.00 174.62 176.42 3kzl h ILE 14 N 2.15 0.61 0.01 2.99 2.04 -1.82 -0.17 117.51 123.32 3kzl h ILE 14 Ca -0.35 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3kzl h ILE 14 Cb 1.25 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3kzl h ILE 14 CO 0.56 0.02 -0.05 0.50 0.00 0.00 0.00 178.15 179.19 3kzl h LYS 15 N 0.12 -0.08 -0.64 2.37 3.64 -1.96 0.32 116.57 120.34 3kzl h LYS 15 Ca 0.25 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3kzl h LYS 15 Cb 0.38 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3kzl h LYS 15 CO -0.42 -0.06 0.15 1.79 -2.27 0.00 0.00 179.45 178.65 3kzl h THR 16 N -0.09 1.25 -0.41 1.00 1.35 -1.81 -0.98 112.91 113.23 3kzl h THR 16 Ca 0.02 -0.92 -0.04 0.00 -0.55 0.00 0.00 66.41 64.92 3kzl h THR 16 Cb 0.11 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.11 3kzl h THR 16 CO -0.04 0.35 0.11 0.40 -0.25 0.00 0.00 175.52 176.09 3kzl h ILE 17 N 0.96 1.22 -0.28 6.82 2.04 -0.95 -0.34 117.51 126.99 3kzl h ILE 17 Ca 0.20 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3kzl h ILE 17 Cb 0.35 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3kzl h ILE 17 CO 0.00 0.27 -0.23 0.74 0.00 0.00 0.00 178.15 178.92 3kzl h THR 18 N 0.52 0.39 -0.64 -0.27 2.02 -0.63 0.15 112.91 114.44 3kzl h THR 18 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 3kzl h THR 18 Cb 0.29 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3kzl h THR 18 CO -0.00 0.00 0.41 0.78 0.37 0.00 0.00 175.52 177.08 3kzl h ASN 19 N -0.22 0.69 -0.49 4.18 2.35 -0.94 -2.40 115.58 118.75 3kzl h ASN 19 Ca 0.15 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3kzl h ASN 19 Cb 0.45 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3kzl h ASN 19 CO -0.41 0.49 0.17 0.44 -1.65 0.00 0.00 177.43 176.46 3kzl h ASP 20 N 0.82 0.75 0.03 5.81 3.32 -0.57 -1.51 116.42 125.07 3kzl h ASP 20 Ca 0.25 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3kzl h ASP 20 Cb -0.03 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3kzl h ASP 20 CO -0.08 0.71 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.06 3kzl h LEU 21 N 0.79 -0.03 -0.79 1.55 3.38 -0.42 -2.27 115.31 117.52 3kzl h LEU 21 Ca 0.18 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3kzl h LEU 21 Cb 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kzl h LEU 21 CO -0.01 0.11 0.06 0.03 0.09 0.00 0.00 178.44 178.72 3kzl h ARG 22 N -0.18 0.98 -0.86 1.13 3.08 -1.37 -1.26 114.38 115.90 3kzl h ARG 22 Ca -0.00 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.83 3kzl h ARG 22 Cb 0.16 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3kzl h ARG 22 CO 0.01 0.93 0.57 -0.22 -1.07 0.00 0.00 179.97 180.18 3kzl h LYS 23 N 0.92 0.99 0.00 0.04 3.64 -1.24 -0.50 116.57 120.41 3kzl h LYS 23 Ca 0.18 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3kzl h LYS 23 Cb 0.45 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3kzl h LYS 23 CO 0.02 0.65 -0.27 1.25 -2.27 0.00 0.00 179.45 178.83 3kzl h LEU 24 N 1.02 0.00 0.00 5.20 5.85 -0.86 -3.47 115.31 123.05 3kzl h LEU 24 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3kzl h LEU 24 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3kzl h LEU 24 CO -0.12 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 3kzl n GLY 25 N 0.23 1.25 3.76 3.75 0.00 -0.19 -4.87 105.19 109.11 3kzl n GLY 25 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kzl n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kzl s LEU 26 N 0.00 4.43 0.08 0.99 2.96 -0.53 -4.97 118.68 121.64 3kzl s LEU 26 Ca 0.00 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 56.49 3kzl s LEU 26 Cb 0.00 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3kzl s LEU 26 CO 0.00 -0.51 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.90 3kzl s LYS 27 N -1.05 0.74 0.29 1.98 1.02 -1.26 -4.20 119.74 117.26 3kzl s LYS 27 Ca 0.52 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 3kzl s LYS 27 Cb -0.38 -0.31 -0.13 0.00 -0.52 0.00 0.00 37.83 36.49 3kzl s LYS 27 CO 0.46 0.03 1.31 0.36 -0.92 0.00 0.00 175.35 176.59 3kzl n LYS 28 N 0.56 1.99 -0.87 1.68 -0.00 -1.08 -4.51 118.16 115.93 3kzl n LYS 28 Ca -0.16 0.70 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 3kzl n LYS 28 Cb 0.58 -2.30 0.00 0.00 -0.00 0.00 0.00 35.03 33.32 3kzl n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kzl n GLY 29 N 1.48 0.50 2.75 2.58 0.00 -0.23 -4.93 105.19 107.33 3kzl n GLY 29 Ca 0.09 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 3kzl n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kzl s THR 31 N -2.58 0.18 -0.05 2.61 2.01 -1.26 -4.31 115.64 112.24 3kzl s THR 31 Ca 0.00 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 3kzl s THR 31 Cb 0.00 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 72.19 3kzl s THR 31 CO 0.00 0.21 0.11 0.54 -0.69 0.00 0.00 174.62 174.79 3kzl s VAL 32 N 1.86 -0.08 -0.17 3.82 0.11 -0.30 -0.08 120.40 125.57 3kzl s VAL 32 Ca 0.02 0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.16 3kzl s VAL 32 Cb -0.12 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 3kzl s VAL 32 CO -0.04 0.09 0.27 -0.51 -3.33 0.00 0.00 175.10 171.58 3kzl s ILE 33 N 1.31 5.32 -0.10 7.04 2.07 -0.28 -1.05 121.20 135.51 3kzl s ILE 33 Ca -0.07 0.49 0.02 0.00 -1.41 0.00 0.00 60.65 59.68 3kzl s ILE 33 Cb -0.12 -3.61 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 3kzl s ILE 33 CO -0.05 0.40 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.52 3kzl s VAL 34 N 0.45 2.72 -0.07 4.00 1.01 0.08 -0.90 120.40 127.70 3kzl s VAL 34 Ca 0.15 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3kzl s VAL 34 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3kzl s VAL 34 CO 0.03 0.55 -0.17 -1.00 0.00 0.00 0.00 175.10 174.50 3kzl s HIS 35 N 0.15 1.86 0.00 5.22 3.76 -0.59 -4.50 115.29 121.19 3kzl s HIS 35 Ca -0.09 -0.65 -0.13 0.00 -0.15 0.00 0.00 55.06 54.04 3kzl s HIS 35 Cb -0.15 -1.28 0.02 0.00 1.11 0.00 0.00 32.58 32.28 3kzl s HIS 35 CO 0.06 -0.27 0.28 -1.54 -0.85 0.00 0.00 174.74 172.42 3kzl s SER 36 N 0.32 -0.14 -0.23 1.40 1.04 -1.26 0.25 113.70 115.09 3kzl s SER 36 Ca -0.11 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 3kzl s SER 36 Cb -0.15 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3kzl s SER 36 CO 0.04 -0.48 -0.10 -0.55 0.98 0.00 0.00 173.24 173.13 3kzl s SER 37 N -1.55 4.00 0.10 7.02 0.15 -0.23 -4.76 113.70 118.43 3kzl s SER 37 Ca -0.11 -0.82 -0.19 0.00 0.70 0.00 0.00 55.95 55.52 3kzl s SER 37 Cb -0.04 -1.61 -0.07 0.00 -1.71 0.00 0.00 66.02 62.59 3kzl s SER 37 CO 0.02 -0.09 1.66 0.25 1.20 0.00 0.00 173.24 176.28 3kzl h LEU 38 N 7.97 0.30 -1.93 3.45 5.85 -1.97 -2.96 115.31 126.02 3kzl h LEU 38 Ca -0.36 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.23 3kzl h LEU 38 Cb 1.11 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3kzl h LEU 38 CO 0.58 0.36 0.08 0.77 -0.34 0.00 0.00 178.44 179.89 3kzl h SER 39 N 0.23 0.08 -0.15 1.25 4.64 -1.96 -2.37 113.55 115.27 3kzl h SER 39 Ca 0.08 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.44 3kzl h SER 39 Cb 0.15 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3kzl h SER 39 CO -0.01 0.05 0.12 0.77 -0.87 0.00 0.00 176.83 176.90 3kzl h SER 40 N 0.09 0.00 0.60 4.97 4.64 -1.88 -2.55 113.55 119.43 3kzl h SER 40 Ca 0.05 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 3kzl h SER 40 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3kzl h SER 40 CO -0.01 0.00 -0.39 0.40 -0.87 0.00 0.00 176.83 175.96 3kzl h ILE 41 N 0.00 1.07 0.00 0.95 2.04 -1.55 -2.45 117.51 117.58 3kzl h ILE 41 Ca 0.07 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3kzl h ILE 41 Cb 0.31 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3kzl h ILE 41 CO -0.00 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.14 3kzl n GLY 42 N -0.09 -2.30 3.69 5.37 0.00 -0.96 -0.04 105.19 110.86 3kzl n GLY 42 Ca -0.01 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3kzl n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kzl s TRP 43 N -0.26 3.20 -0.15 1.61 -0.00 -1.26 -4.85 118.94 117.23 3kzl s TRP 43 Ca 0.00 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.32 3kzl s TRP 43 Cb 0.00 -3.43 0.00 0.00 -0.00 0.00 0.00 33.47 30.04 3kzl s TRP 43 CO 0.00 -1.35 -0.17 0.42 -0.00 0.00 0.00 176.95 175.85 3kzl s ILE 44 N 2.12 2.47 -0.41 5.86 1.01 -1.26 -1.19 121.20 129.80 3kzl s ILE 44 Ca 0.56 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 3kzl s ILE 44 Cb -0.25 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3kzl s ILE 44 CO 0.23 0.53 1.43 -0.55 0.00 0.00 0.00 174.94 176.57 3kzl s SER 45 N 0.81 6.32 0.00 3.58 0.15 -0.12 -1.72 113.70 122.72 3kzl s SER 45 Ca -0.06 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3kzl s SER 45 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3kzl s SER 45 CO -0.00 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.61 3kzl n GLY 46 N 5.07 0.21 7.00 9.45 0.00 -1.26 -4.60 105.19 121.07 3kzl n GLY 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kzl n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzl n GLY 47 N -1.81 3.19 0.33 -0.02 0.00 -0.70 -2.41 105.19 103.77 3kzl n GLY 47 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.96 3kzl n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kzl h ALA 48 N -0.68 1.65 -0.73 4.61 0.00 -1.92 -2.09 119.26 120.10 3kzl h ALA 48 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3kzl h ALA 48 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kzl h ALA 48 CO 0.00 0.30 0.20 0.28 0.00 0.00 0.00 179.25 180.03 3kzl h VAL 49 N 0.72 1.26 -0.82 0.00 2.07 -1.86 -1.86 116.25 115.76 3kzl h VAL 49 Ca 0.22 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3kzl h VAL 49 Cb 0.00 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3kzl h VAL 49 CO -0.05 0.37 0.52 0.00 0.02 0.00 0.00 177.57 178.42 3kzl h ALA 50 N 1.11 1.10 -0.20 1.67 0.00 -1.34 0.92 119.26 122.51 3kzl h ALA 50 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kzl h ALA 50 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kzl h ALA 50 CO -0.00 0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.78 3kzl h VAL 51 N 0.98 1.29 -0.47 0.00 2.07 -1.33 0.68 116.25 119.48 3kzl h VAL 51 Ca 0.34 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3kzl h VAL 51 Cb 0.07 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3kzl h VAL 51 CO -0.14 0.31 0.23 0.58 0.02 0.00 0.00 177.57 178.57 3kzl h VAL 52 N 0.10 1.18 -0.51 2.57 2.07 -1.12 -1.63 116.25 118.92 3kzl h VAL 52 Ca 0.05 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 3kzl h VAL 52 Cb 0.50 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3kzl h VAL 52 CO 0.02 0.20 -0.11 -0.33 0.02 0.00 0.00 177.57 177.37 3kzl h GLU 53 N 0.61 0.97 -0.38 1.57 4.39 -0.71 -2.94 114.58 118.10 3kzl h GLU 53 Ca 0.16 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.54 3kzl h GLU 53 Cb 0.11 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3kzl h GLU 53 CO -0.02 1.04 0.13 0.00 -1.16 0.00 0.00 179.01 179.00 3kzl h ALA 54 N 0.90 0.45 0.00 3.43 0.00 -0.73 0.77 119.26 124.08 3kzl h ALA 54 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kzl h ALA 54 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kzl h ALA 54 CO 0.05 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.32 3kzl n LEU 55 N -5.02 0.00 0.00 0.00 4.77 -0.63 -1.52 117.00 114.61 3kzl n LEU 55 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3kzl n LEU 55 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3kzl n LEU 55 CO 0.27 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.54 3kzl n GLU 57 N 0.66 0.00 -0.03 3.23 2.13 0.26 -0.85 120.64 126.04 3kzl n GLU 57 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3kzl n GLU 57 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 3kzl n GLU 57 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kzl h VAL 58 N 0.00 1.36 -0.30 6.31 2.07 -1.54 -3.35 116.25 120.81 3kzl h VAL 58 Ca 0.00 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 3kzl h VAL 58 Cb 0.00 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3kzl h VAL 58 CO 0.00 0.31 -0.23 0.40 0.02 0.00 0.00 177.57 178.08 3kzl h ILE 59 N -0.32 1.30 -2.56 4.57 1.08 -1.23 -2.85 117.51 117.50 3kzl h ILE 59 Ca 0.01 -1.37 0.26 0.00 -0.39 0.00 0.00 64.86 63.37 3kzl h ILE 59 Cb 0.52 1.53 -0.13 0.00 -3.07 0.00 0.00 36.82 35.67 3kzl h ILE 59 CO 0.01 0.44 -0.86 0.35 -0.69 0.00 0.00 178.15 177.40 3kzl n THR 60 N -4.32 -0.49 0.29 -0.27 -2.24 -1.26 -1.07 114.28 104.93 3kzl n THR 60 Ca -0.04 0.60 0.17 0.00 -2.27 0.00 0.00 64.05 62.52 3kzl n THR 60 Cb 0.43 -0.96 0.93 0.00 -2.10 0.00 0.00 70.33 68.63 3kzl n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kzl h GLU 61 N -1.04 0.00 0.00 -0.78 5.08 -1.96 0.71 114.58 116.59 3kzl h GLU 61 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kzl h GLU 61 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3kzl h GLU 61 CO 0.05 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.45 3kzl n GLU 62 N -2.79 0.17 -1.95 2.33 -0.58 -1.26 -1.90 120.64 114.67 3kzl n GLU 62 Ca -0.02 0.20 -0.06 0.00 -0.42 0.00 0.00 57.16 56.85 3kzl n GLU 62 Cb 0.16 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 3kzl n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kzl n GLY 63 N 1.08 2.79 2.87 0.62 0.00 0.24 -4.50 105.19 108.30 3kzl n GLY 63 Ca 0.05 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 3kzl n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kzl s THR 64 N -0.50 0.30 -0.11 2.61 2.01 -1.26 -0.78 115.64 117.91 3kzl s THR 64 Ca 0.09 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 3kzl s THR 64 Cb -0.01 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 3kzl s THR 64 CO 0.06 0.15 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.45 3kzl s ILE 65 N 0.66 3.84 0.42 1.82 1.01 0.06 -1.15 121.20 127.87 3kzl s ILE 65 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3kzl s ILE 65 Cb -0.10 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3kzl s ILE 65 CO -0.01 0.56 0.08 -0.38 0.00 0.00 0.00 174.94 175.18 3kzl n ILE 66 N 2.76 0.00 -4.42 2.92 -0.00 -0.22 -0.62 119.36 119.79 3kzl n ILE 66 Ca -0.18 -2.24 -0.34 0.00 -0.00 0.00 0.00 62.75 59.99 3kzl n ILE 66 Cb 0.53 0.64 -0.10 0.00 -0.00 0.00 0.00 39.64 40.71 3kzl n ILE 66 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3kzl s PRO 68 N -3.57 2.88 -0.40 0.38 0.04 -1.26 -0.74 135.00 132.32 3kzl s PRO 68 Ca 0.11 -0.49 0.10 0.00 0.04 0.00 0.00 61.00 60.76 3kzl s PRO 68 Cb 0.01 -2.71 0.42 0.00 0.04 0.00 0.00 34.50 32.26 3kzl s PRO 68 CO 0.08 0.68 1.01 0.25 0.04 0.00 0.00 177.00 179.06 3kzl n THR 69 N 1.99 1.76 -2.12 1.26 -2.24 0.12 -4.80 114.28 110.24 3kzl n THR 69 Ca -0.18 -4.27 -0.38 0.00 -2.27 0.00 0.00 64.05 56.95 3kzl n THR 69 Cb 0.53 -0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3kzl n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kzl s GLN 70 N -3.31 3.81 -0.43 -0.78 -0.21 -1.24 -4.33 119.66 113.16 3kzl s GLN 70 Ca 0.40 1.99 0.10 0.00 0.02 0.00 0.00 55.36 57.87 3kzl s GLN 70 Cb 0.41 -2.57 0.33 0.00 1.00 0.00 0.00 33.01 32.18 3kzl s GLN 70 CO -0.09 -0.57 0.76 -1.13 -2.12 0.00 0.00 175.29 172.13 3kzl n SER 71 N -0.22 1.77 0.03 5.90 3.41 -0.62 -1.69 113.62 122.20 3kzl n SER 71 Ca 0.06 -3.16 0.06 0.00 -0.26 0.00 0.00 58.87 55.57 3kzl n SER 71 Cb 0.46 -0.61 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 3kzl n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kzl n SER 72 N 0.30 0.14 -0.13 4.04 3.41 -1.26 -1.93 113.62 118.20 3kzl n SER 72 Ca 0.26 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 3kzl n SER 72 Cb 0.57 -0.57 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 3kzl n SER 72 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kzl n ASP 73 N -1.67 0.38 -0.38 4.04 3.85 -1.26 -1.91 116.55 119.60 3kzl n ASP 73 Ca 0.02 -1.54 0.13 0.00 -0.71 0.00 0.00 54.79 52.69 3kzl n ASP 73 Cb 0.12 -0.03 0.39 0.00 -1.35 0.00 0.00 41.12 40.25 3kzl n ASP 73 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3kzl n LEU 74 N -0.51 1.35 -4.85 -2.12 4.32 -0.81 -4.98 117.00 109.40 3kzl n LEU 74 Ca 0.13 -0.41 -0.29 0.00 -0.02 0.00 0.00 56.01 55.42 3kzl n LEU 74 Cb 0.12 -0.07 0.13 0.00 -1.62 0.00 0.00 43.42 41.98 3kzl n LEU 74 CO 0.10 0.24 0.77 -0.94 -1.22 0.00 0.00 177.39 176.34 3kzl s SER 75 N -2.30 3.77 0.14 -1.43 1.04 -0.80 -4.26 113.70 109.86 3kzl s SER 75 Ca 0.29 0.75 -0.31 0.00 0.48 0.00 0.00 55.95 57.15 3kzl s SER 75 Cb 0.20 -1.18 -0.10 0.00 0.10 0.00 0.00 66.02 65.04 3kzl s SER 75 CO 0.45 -2.36 1.67 -0.62 0.98 0.00 0.00 173.24 173.35 3kzl s ASP 76 N -4.42 6.53 0.06 7.02 2.15 -1.08 -4.87 116.67 122.06 3kzl s ASP 76 Ca 0.65 2.65 0.14 0.00 0.43 0.00 0.00 52.55 56.42 3kzl s ASP 76 Cb -0.11 -2.58 0.62 0.00 -0.30 0.00 0.00 42.92 40.55 3kzl s ASP 76 CO 0.51 -0.90 1.45 -0.81 -0.17 0.00 0.00 175.17 175.26 3kzl n PRO 77 N 4.77 0.04 -0.29 4.34 -0.04 -1.26 -2.64 135.00 139.92 3kzl n PRO 77 Ca 0.15 0.33 0.02 0.00 -0.04 0.00 0.00 63.50 63.97 3kzl n PRO 77 Cb 0.38 -1.59 0.16 0.00 -0.04 0.00 0.00 33.50 32.42 3kzl n PRO 77 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3kzl h LYS 78 N 0.00 0.78 -0.19 0.54 1.57 -1.94 -2.43 116.57 114.91 3kzl h LYS 78 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kzl h LYS 78 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kzl h LYS 78 CO 0.00 0.52 0.00 0.72 -0.57 0.00 0.00 179.45 180.12 3kzl n HIS 79 N -4.73 0.25 -2.32 -1.35 8.25 -1.08 -4.97 115.22 109.26 3kzl n HIS 79 Ca 0.13 -0.12 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 3kzl n HIS 79 Cb 0.26 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 3kzl n HIS 79 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kzl s TRP 80 N -1.75 2.82 0.00 4.41 0.51 -0.91 -4.97 118.94 119.04 3kzl s TRP 80 Ca 0.28 1.55 0.00 0.00 -2.12 0.00 0.00 56.10 55.81 3kzl s TRP 80 Cb 0.15 -3.17 0.00 0.00 -0.81 0.00 0.00 33.47 29.63 3kzl s TRP 80 CO 0.22 -1.25 0.00 -1.13 -0.51 0.00 0.00 176.95 174.27 3kzl n SER 81 N -1.30 0.00 -3.27 2.95 3.41 -1.26 -4.22 113.62 109.93 3kzl n SER 81 Ca 0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 3kzl n SER 81 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 3kzl n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kzl n ARG 82 N 0.00 1.36 -3.54 4.33 3.00 -1.26 -3.74 116.66 116.80 3kzl n ARG 82 Ca 0.00 -3.74 -0.19 0.00 -0.01 0.00 0.00 57.85 53.91 3kzl n ARG 82 Cb 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 32.46 30.87 3kzl n ARG 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3kzl s PRO 83 N -1.65 3.16 0.86 5.56 0.04 -1.26 -5.14 135.00 136.57 3kzl s PRO 83 Ca 0.37 -0.98 -0.12 0.00 0.04 0.00 0.00 61.00 60.31 3kzl s PRO 83 Cb 0.16 -2.83 0.11 0.00 0.04 0.00 0.00 34.50 31.99 3kzl s PRO 83 CO -0.08 0.11 1.10 -1.25 0.04 0.00 0.00 177.00 176.93 3kzl s PRO 84 N -4.14 1.56 0.06 0.56 0.04 -1.25 -4.90 135.00 126.93 3kzl s PRO 84 Ca 0.43 0.66 0.03 0.00 0.04 0.00 0.00 61.00 62.16 3kzl s PRO 84 Cb -0.09 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3kzl s PRO 84 CO 0.31 -1.99 -0.09 0.14 0.04 0.00 0.00 177.00 175.40 3kzl s VAL 85 N -3.08 0.74 0.34 -0.36 -7.23 -1.26 -4.99 120.40 104.57 3kzl s VAL 85 Ca 0.62 -1.30 -0.26 0.00 -1.81 0.00 0.00 61.98 59.23 3kzl s VAL 85 Cb -0.16 -0.93 -0.13 0.00 0.56 0.00 0.00 36.38 35.72 3kzl s VAL 85 CO 0.55 -0.43 0.96 -2.65 -0.31 0.00 0.00 175.10 173.23 3kzl n PRO 86 N 1.13 1.27 0.23 4.82 -0.02 -1.26 -4.84 135.00 136.33 3kzl n PRO 86 Ca -0.20 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 3kzl n PRO 86 Cb 0.56 -1.86 0.54 0.00 -0.02 0.00 0.00 33.50 32.72 3kzl n PRO 86 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kzl h GLU 87 N 1.74 0.00 0.00 -0.52 4.81 -2.00 0.11 114.58 118.72 3kzl h GLU 87 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3kzl h GLU 87 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3kzl h GLU 87 CO 0.59 0.17 0.00 0.93 -0.73 0.00 0.00 179.01 179.96 3kzl h GLU 88 N 0.00 0.00 0.00 1.92 3.07 -2.05 -1.45 114.58 116.07 3kzl h GLU 88 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kzl h GLU 88 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3kzl h GLU 88 CO 0.02 0.00 -0.76 -1.49 -1.40 0.00 0.00 179.01 175.38 3kzl h TRP 89 N 0.00 0.00 -0.50 4.33 4.06 -1.11 -3.42 115.95 119.31 3kzl h TRP 89 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3kzl h TRP 89 Cb 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3kzl h TRP 89 CO 0.00 0.00 0.32 -1.49 -3.56 0.00 0.00 178.44 173.71 3kzl h TRP 90 N 0.00 0.63 -0.03 0.49 4.06 -1.35 0.14 115.95 119.89 3kzl h TRP 90 Ca 0.00 0.01 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 3kzl h TRP 90 Cb 0.90 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 3kzl h TRP 90 CO 0.00 0.41 -0.68 0.37 -3.56 0.00 0.00 178.44 174.99 3kzl h GLN 91 N 0.67 0.16 -0.76 0.49 5.75 -1.82 -2.02 115.11 117.58 3kzl h GLN 91 Ca 0.18 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3kzl h GLN 91 Cb -0.05 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 3kzl h GLN 91 CO -0.04 0.77 0.47 0.82 -2.65 0.00 0.00 178.83 178.21 3kzl h ILE 92 N 0.11 1.21 -0.01 2.39 2.04 -1.57 -1.35 117.51 120.33 3kzl h ILE 92 Ca -0.01 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3kzl h ILE 92 Cb 1.21 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3kzl h ILE 92 CO 0.10 0.22 0.00 0.40 0.00 0.00 0.00 178.15 178.87 3kzl h ILE 93 N 1.04 1.17 -0.57 -0.67 2.04 -0.80 -2.20 117.51 117.52 3kzl h ILE 93 Ca 0.28 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.73 3kzl h ILE 93 Cb -0.05 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3kzl h ILE 93 CO -0.05 0.13 0.38 0.03 0.00 0.00 0.00 178.15 178.64 3kzl h ARG 94 N -0.19 0.42 0.00 2.37 3.08 -1.14 -0.21 114.38 118.71 3kzl h ARG 94 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kzl h ARG 94 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kzl h ARG 94 CO -0.00 0.28 -0.08 -0.44 -1.07 0.00 0.00 179.97 178.66 3kzl h ASP 95 N 0.44 0.00 0.00 7.04 3.32 -0.94 -3.41 116.42 122.87 3kzl h ASP 95 Ca 0.26 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3kzl h ASP 95 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3kzl h ASP 95 CO -0.07 0.00 -0.60 0.59 -1.72 0.00 0.00 179.24 177.44 3kzl n ASN 96 N -2.90 2.99 -4.71 6.45 3.02 -0.85 -5.04 115.26 114.21 3kzl n ASN 96 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 3kzl n ASN 96 Cb 0.51 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 3kzl n ASN 96 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3kzl n VAL 97 N -1.05 0.26 -1.83 2.41 3.14 -0.15 -4.90 118.33 116.22 3kzl n VAL 97 Ca 0.00 -0.06 -0.40 0.00 -2.96 0.00 0.00 64.34 60.91 3kzl n VAL 97 Cb 0.09 -1.89 0.01 0.00 -1.06 0.00 0.00 33.84 30.98 3kzl n VAL 97 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kzl s PRO 98 N 0.71 3.93 0.53 1.45 0.02 -1.26 -4.91 135.00 135.47 3kzl s PRO 98 Ca 0.73 2.46 -0.21 0.00 0.02 0.00 0.00 61.00 64.00 3kzl s PRO 98 Cb -0.54 -2.83 -0.07 0.00 0.02 0.00 0.00 34.50 31.09 3kzl s PRO 98 CO 0.37 -0.63 1.07 0.00 -0.33 0.00 0.00 177.00 177.48 3kzl n ALA 99 N 0.18 0.52 -1.73 -1.55 0.00 -1.26 -4.86 120.51 111.80 3kzl n ALA 99 Ca 0.03 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 3kzl n ALA 99 Cb 0.41 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 3kzl n ALA 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kzl n PHE 100 N -1.13 2.70 -3.60 0.00 7.35 -0.13 -4.93 117.46 117.72 3kzl n PHE 100 Ca 0.11 0.37 -0.17 0.00 -0.76 0.00 0.00 57.45 57.00 3kzl n PHE 100 Cb 0.44 -2.54 -0.14 0.00 0.35 0.00 0.00 39.48 37.59 3kzl n PHE 100 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3kzl s GLU 101 N -1.06 0.12 0.30 -4.13 2.02 -1.26 -4.27 118.70 110.42 3kzl s GLU 101 Ca 0.61 0.42 -0.01 0.00 0.02 0.00 0.00 54.97 56.01 3kzl s GLU 101 Cb -0.53 -0.68 0.47 0.00 0.10 0.00 0.00 34.13 33.49 3kzl s GLU 101 CO 0.54 -0.46 1.96 -1.00 0.02 0.00 0.00 175.26 176.32 3kzl h PRO 102 N 8.33 1.06 0.00 0.39 0.13 -1.93 0.21 132.00 140.19 3kzl h PRO 102 Ca -0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3kzl h PRO 102 Cb 1.13 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3kzl h PRO 102 CO 0.20 0.70 0.00 -2.39 -0.23 0.00 0.00 178.00 176.28 3kzl n HIS 103 N -4.43 0.67 -0.01 1.56 1.44 -1.26 -4.24 115.22 108.96 3kzl n HIS 103 Ca 0.10 0.27 -0.01 0.00 -2.01 0.00 0.00 57.72 56.07 3kzl n HIS 103 Cb 0.06 -0.93 -0.01 0.00 0.12 0.00 0.00 29.99 29.23 3kzl n HIS 103 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3kzl n ILE 104 N -2.12 0.08 -2.04 0.61 5.41 0.46 -5.01 119.36 116.75 3kzl n ILE 104 Ca 0.02 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 3kzl n ILE 104 Cb 0.21 -0.59 -0.03 0.00 -0.71 0.00 0.00 39.64 38.52 3kzl n ILE 104 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3kzl s THR 105 N -2.03 3.60 0.71 1.39 2.01 0.37 -4.95 115.64 116.75 3kzl s THR 105 Ca -0.02 0.76 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 3kzl s THR 105 Cb 0.00 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 69.05 3kzl s THR 105 CO 0.03 -0.06 1.11 -2.84 -0.69 0.00 0.00 174.62 172.17 3kzl s PRO 106 N 3.86 2.50 0.52 4.92 0.02 -1.26 -4.99 135.00 140.57 3kzl s PRO 106 Ca 0.72 1.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.03 3kzl s PRO 106 Cb -0.33 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.26 3kzl s PRO 106 CO 0.29 -1.47 0.80 0.95 -0.33 0.00 0.00 177.00 177.23 3kzl s THR 107 N -2.54 4.24 -0.07 0.99 -4.23 -1.26 -4.65 115.64 108.12 3kzl s THR 107 Ca 0.65 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 3kzl s THR 107 Cb -0.20 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.03 3kzl s THR 107 CO 0.48 -0.59 -0.14 -0.60 -0.54 0.00 0.00 174.62 173.23 3kzl s ARG 108 N -4.79 1.90 -0.51 3.99 3.52 -0.68 -4.96 118.95 117.41 3kzl s ARG 108 Ca 0.50 -0.49 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3kzl s ARG 108 Cb -0.10 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.75 3kzl s ARG 108 CO 0.43 0.06 0.53 0.00 -0.81 0.00 0.00 175.30 175.52 3kzl n ALA 109 N 3.72 -2.55 -2.81 6.12 0.00 -1.26 -4.75 120.51 118.98 3kzl n ALA 109 Ca -0.22 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 3kzl n ALA 109 Cb 0.52 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 3kzl n ALA 109 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kzl s GLY 111 N -2.63 -0.06 0.39 0.00 0.00 -1.26 -5.09 107.32 98.68 3kzl s GLY 111 Ca 0.07 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.53 3kzl s GLY 111 CO 0.61 -0.55 1.95 1.70 0.00 0.00 0.00 173.10 176.81 3kzl h LYS 112 N 2.52 0.58 -0.84 2.90 3.64 -1.99 -2.07 116.57 121.31 3kzl h LYS 112 Ca -0.34 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3kzl h LYS 112 Cb 1.23 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3kzl h LYS 112 CO 0.50 0.39 0.40 0.28 -2.27 0.00 0.00 179.45 178.75 3kzl h VAL 113 N 0.60 1.26 -0.23 2.00 2.07 -1.91 -0.83 116.25 119.20 3kzl h VAL 113 Ca 0.32 -0.73 -0.19 0.00 0.82 0.00 0.00 66.70 66.92 3kzl h VAL 113 Cb 0.46 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3kzl h VAL 113 CO -0.11 0.31 -0.61 0.58 0.02 0.00 0.00 177.57 177.76 3kzl h VAL 114 N 1.20 1.29 -0.49 2.57 2.07 -1.78 -0.27 116.25 120.83 3kzl h VAL 114 Ca 0.29 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 3kzl h VAL 114 Cb 0.12 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3kzl h VAL 114 CO -0.04 0.58 0.23 -0.33 0.02 0.00 0.00 177.57 178.03 3kzl h GLU 115 N 0.59 0.72 0.05 1.57 4.39 -1.04 0.07 114.58 120.92 3kzl h GLU 115 Ca -0.00 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kzl h GLU 115 Cb 1.21 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3kzl h GLU 115 CO 0.13 0.61 -0.02 0.00 -1.16 0.00 0.00 179.01 178.57 3kzl h PHE 117 N -0.17 0.16 0.00 0.00 3.57 -0.67 -2.88 116.94 116.95 3kzl h PHE 117 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kzl h PHE 117 Cb 0.15 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3kzl h PHE 117 CO -0.04 0.03 0.00 0.07 -2.23 0.00 0.00 178.31 176.14 3kzl h ARG 118 N 0.23 0.00 -0.23 1.11 0.11 -1.00 -1.77 114.38 112.82 3kzl h ARG 118 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3kzl h ARG 118 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 3kzl h ARG 118 CO -0.25 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.07 3kzl n THR 119 N -2.93 0.51 -2.07 0.08 -2.24 -1.18 -4.87 114.28 101.59 3kzl n THR 119 Ca 0.00 -0.76 -0.40 0.00 -2.27 0.00 0.00 64.05 60.63 3kzl n THR 119 Cb 0.24 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 3kzl n THR 119 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kzl s TYR 120 N -1.08 2.85 0.27 4.78 5.04 -0.67 -4.91 117.35 123.63 3kzl s TYR 120 Ca 0.23 1.41 -0.30 0.00 -2.44 0.00 0.00 57.07 55.97 3kzl s TYR 120 Cb 0.14 -3.67 -0.13 0.00 0.35 0.00 0.00 41.96 38.65 3kzl s TYR 120 CO 0.19 -2.05 1.47 -2.30 -1.34 0.00 0.00 175.55 171.52 3kzl n PRO 121 N 0.22 2.32 -0.94 4.97 -0.02 -1.26 -2.14 135.00 138.15 3kzl n PRO 121 Ca 0.03 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3kzl n PRO 121 Cb 0.43 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3kzl n PRO 121 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kzl n ASN 122 N 2.02 -0.93 -4.71 2.55 3.02 -1.26 -5.02 115.26 110.93 3kzl n ASN 122 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 3kzl n ASN 122 Cb 0.34 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 3kzl n ASN 122 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kzl s VAL 123 N -3.04 4.89 0.08 2.41 1.01 -0.91 -4.73 120.40 120.10 3kzl s VAL 123 Ca 0.00 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.91 3kzl s VAL 123 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3kzl s VAL 123 CO 0.00 0.20 0.02 0.68 0.00 0.00 0.00 175.10 176.00 3kzl s VAL 124 N 0.86 4.20 -0.00 2.92 -7.23 0.14 -4.90 120.40 116.38 3kzl s VAL 124 Ca 0.48 -0.87 0.04 0.00 -1.81 0.00 0.00 61.98 59.81 3kzl s VAL 124 Cb -0.20 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 3kzl s VAL 124 CO 0.26 0.15 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.47 3kzl s ARG 125 N -2.25 0.98 1.03 4.82 3.52 -1.26 -0.31 118.95 125.48 3kzl s ARG 125 Ca 0.26 -0.47 -0.15 0.00 -0.13 0.00 0.00 55.73 55.24 3kzl s ARG 125 Cb -0.12 -0.95 0.21 0.00 -1.56 0.00 0.00 34.95 32.53 3kzl s ARG 125 CO 0.19 0.26 1.15 -1.54 -0.81 0.00 0.00 175.30 174.54 3kzl s SER 126 N -0.38 2.41 0.00 -2.12 1.04 -0.25 -4.97 113.70 109.42 3kzl s SER 126 Ca 0.04 0.77 0.23 0.00 0.48 0.00 0.00 55.95 57.47 3kzl s SER 126 Cb -0.05 -1.16 0.50 0.00 0.10 0.00 0.00 66.02 65.40 3kzl s SER 126 CO -0.00 -3.22 1.43 -3.20 0.98 0.00 0.00 173.24 169.23 3kzl n ASN 127 N -4.18 2.89 -4.72 7.02 5.15 -1.26 -4.70 115.26 115.46 3kzl n ASN 127 Ca 0.10 -1.91 -0.42 0.00 -0.60 0.00 0.00 54.58 51.75 3kzl n ASN 127 Cb 0.59 -0.18 -0.03 0.00 -0.53 0.00 0.00 39.78 39.63 3kzl n ASN 127 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3kzl s HIS 128 N -1.65 3.58 -0.24 1.20 2.46 -1.26 -4.93 115.29 114.45 3kzl s HIS 128 Ca 0.36 1.54 0.28 0.00 0.47 0.00 0.00 55.06 57.70 3kzl s HIS 128 Cb 0.21 -3.25 1.16 0.00 -0.13 0.00 0.00 32.58 30.57 3kzl s HIS 128 CO 0.30 -0.56 1.83 -1.00 -2.47 0.00 0.00 174.74 172.84 3kzl h PRO 129 N 6.53 0.00 0.00 2.88 0.13 -1.92 -3.25 132.00 136.37 3kzl h PRO 129 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3kzl h PRO 129 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kzl h PRO 129 CO 0.77 0.00 -0.75 1.28 -0.23 0.00 0.00 178.00 179.06 3kzl n LEU 130 N -2.57 2.15 -2.03 1.56 4.77 -1.26 -4.56 117.00 115.05 3kzl n LEU 130 Ca 0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 3kzl n LEU 130 Cb 0.25 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3kzl n LEU 130 CO 0.22 0.35 0.18 0.61 -1.33 0.00 0.00 177.39 177.42 3kzl n GLY 131 N 2.99 6.36 3.73 -0.72 0.00 -1.26 -1.58 105.19 114.72 3kzl n GLY 131 Ca 0.00 -2.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.07 3kzl n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kzl s SER 132 N -3.60 3.47 0.05 1.61 1.04 -1.23 -4.88 113.70 110.16 3kzl s SER 132 Ca 0.51 1.36 0.03 0.00 0.48 0.00 0.00 55.95 58.32 3kzl s SER 132 Cb 0.41 -2.04 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 3kzl s SER 132 CO 0.04 -2.62 -0.09 -0.36 0.98 0.00 0.00 173.24 171.18 3kzl s PHE 133 N -3.00 0.80 0.19 5.02 0.08 -1.26 -0.71 117.98 119.11 3kzl s PHE 133 Ca 0.63 -0.49 0.08 0.00 0.12 0.00 0.00 56.93 57.27 3kzl s PHE 133 Cb -0.17 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 3kzl s PHE 133 CO 0.56 -0.05 -0.01 0.00 -0.10 0.00 0.00 175.22 175.63 3kzl s ALA 134 N -1.37 3.18 0.04 5.36 0.00 -1.26 -1.09 121.76 126.62 3kzl s ALA 134 Ca -0.08 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.32 3kzl s ALA 134 Cb -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.10 3kzl s ALA 134 CO 0.01 0.44 0.30 0.00 0.00 0.00 0.00 175.76 176.50 3kzl s ALA 135 N -1.84 -0.67 -0.07 0.00 0.00 0.58 -4.25 121.76 115.51 3kzl s ALA 135 Ca 0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 3kzl s ALA 135 Cb -0.09 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3kzl s ALA 135 CO 0.19 -0.41 0.18 -0.46 0.00 0.00 0.00 175.76 175.26 3kzl s TRP 136 N -2.54 -0.20 0.00 0.00 -0.00 0.21 -0.69 118.94 115.73 3kzl s TRP 136 Ca -0.05 0.48 0.00 0.00 -0.00 0.00 0.00 56.10 56.53 3kzl s TRP 136 Cb -0.01 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.53 3kzl s TRP 136 CO -0.03 -0.10 0.00 0.41 -0.00 0.00 0.00 176.95 177.23 3kzl n GLY 137 N 2.96 -0.63 0.22 5.86 0.00 -1.26 -0.76 105.19 111.58 3kzl n GLY 137 Ca -0.13 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3kzl n GLY 137 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kzl h ARG 138 N 0.00 0.18 -0.40 1.61 2.43 -0.24 -2.55 114.38 115.42 3kzl h ARG 138 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kzl h ARG 138 Cb 0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3kzl h ARG 138 CO 0.00 0.12 0.00 0.72 -1.51 0.00 0.00 179.97 179.30 3kzl n HIS 139 N -5.19 0.99 -0.18 2.20 8.25 -1.26 -4.70 115.22 115.33 3kzl n HIS 139 Ca 0.08 -0.69 -0.02 0.00 -0.26 0.00 0.00 57.72 56.83 3kzl n HIS 139 Cb 0.32 -0.22 0.04 0.00 1.12 0.00 0.00 29.99 31.25 3kzl n HIS 139 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kzl h ALA 140 N 2.54 0.30 -0.26 -1.41 0.00 -1.69 -0.20 119.26 118.53 3kzl h ALA 140 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3kzl h ALA 140 Cb 1.26 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3kzl h ALA 140 CO 0.17 -0.47 -0.26 0.93 0.00 0.00 0.00 179.25 179.61 3kzl h GLU 141 N -0.04 0.64 -0.88 0.00 3.07 -1.84 -1.75 114.58 113.78 3kzl h GLU 141 Ca 0.26 -0.34 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3kzl h GLU 141 Cb 0.44 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 3kzl h GLU 141 CO -0.59 0.94 0.58 0.93 -1.40 0.00 0.00 179.01 179.47 3kzl h GLU 142 N 0.36 1.13 -0.28 2.33 5.08 -1.81 -1.68 114.58 119.71 3kzl h GLU 142 Ca 0.04 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3kzl h GLU 142 Cb 0.83 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3kzl h GLU 142 CO 0.07 0.75 -0.40 0.82 -1.00 0.00 0.00 179.01 179.24 3kzl h ILE 143 N 1.16 1.29 -0.02 3.13 2.04 -0.75 -3.31 117.51 121.06 3kzl h ILE 143 Ca 0.33 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3kzl h ILE 143 Cb -0.08 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3kzl h ILE 143 CO -0.09 0.50 -0.43 0.35 0.00 0.00 0.00 178.15 178.49 3kzl n THR 144 N -4.04 0.00 -3.02 -0.27 -2.24 -0.68 -4.01 114.28 100.02 3kzl n THR 144 Ca -0.02 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 3kzl n THR 144 Cb 0.52 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 3kzl n THR 144 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kzl s VAL 145 N -2.45 4.50 -1.69 2.28 0.11 -0.65 -4.13 120.40 118.37 3kzl s VAL 145 Ca 0.20 1.34 -0.00 0.00 -2.93 0.00 0.00 61.98 60.58 3kzl s VAL 145 Cb 0.18 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 3kzl s VAL 145 CO 0.55 0.06 0.05 0.59 -3.33 0.00 0.00 175.10 173.02 3kzl n ASN 146 N 0.32 -5.72 -4.69 3.54 3.02 -1.26 -4.96 115.26 105.52 3kzl n ASN 146 Ca 0.01 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 3kzl n ASN 146 Cb 0.52 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 34.93 3kzl n ASN 146 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3kzl s GLN 147 N -5.05 4.17 0.63 3.52 0.74 -1.26 -4.89 119.66 117.51 3kzl s GLN 147 Ca 0.03 2.45 -0.17 0.00 0.05 0.00 0.00 55.36 57.72 3kzl s GLN 147 Cb -0.01 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 3kzl s GLN 147 CO 0.03 -0.79 1.14 -1.54 -0.55 0.00 0.00 175.29 173.58 3kzl s SER 148 N 2.67 5.17 -0.00 6.67 1.04 -0.98 -4.80 113.70 123.46 3kzl s SER 148 Ca 0.78 2.15 -0.25 0.00 0.48 0.00 0.00 55.95 59.11 3kzl s SER 148 Cb -0.42 -2.57 -0.19 0.00 0.10 0.00 0.00 66.02 62.94 3kzl s SER 148 CO 0.34 -1.59 1.30 0.25 0.98 0.00 0.00 173.24 174.52 3kzl h LEU 149 N 0.44 0.09 -8.00 2.42 5.85 -1.88 -3.41 115.31 110.81 3kzl h LEU 149 Ca -0.48 -0.47 -0.60 0.00 0.84 0.00 0.00 57.88 57.17 3kzl h LEU 149 Cb 1.26 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 3kzl h LEU 149 CO 0.54 0.54 1.73 -0.44 -0.34 0.00 0.00 178.44 180.47 3kzl s SER 150 N -5.77 6.46 0.00 1.25 0.01 -1.24 -4.83 113.70 109.58 3kzl s SER 150 Ca -0.15 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 55.26 3kzl s SER 150 Cb 0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3kzl s SER 150 CO 0.69 -1.55 0.00 -1.54 0.41 0.00 0.00 173.24 171.25 3kzl n SER 152 N 9.38 2.28 -1.46 2.44 3.41 -1.26 -4.90 113.62 123.50 3kzl n SER 152 Ca 0.41 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 59.06 3kzl n SER 152 Cb 0.48 0.18 0.31 0.00 -0.26 0.00 0.00 64.21 64.92 3kzl n SER 152 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kzl n LEU 153 N -1.41 4.97 0.00 1.04 4.77 -1.26 -4.60 117.00 120.51 3kzl n LEU 153 Ca 0.00 -3.10 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 3kzl n LEU 153 Cb 0.24 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3kzl n LEU 153 CO 0.00 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3kzl n GLY 154 N -0.14 2.22 0.30 -0.72 0.00 -1.26 -3.78 105.19 101.82 3kzl n GLY 154 Ca 0.29 -1.91 0.20 0.00 0.00 0.00 0.00 46.02 44.59 3kzl n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kzl h GLU 155 N 0.00 0.00 -1.28 1.61 4.39 -1.95 -2.07 114.58 115.28 3kzl h GLU 155 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 3kzl h GLU 155 Cb 0.00 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.23 3kzl h GLU 155 CO 0.00 0.00 -0.80 -0.85 -1.16 0.00 0.00 179.01 176.20 3kzl n GLU 156 N -2.98 3.21 -4.11 2.33 0.28 -1.26 -4.74 120.64 113.36 3kzl n GLU 156 Ca -0.02 -4.29 -0.24 0.00 -0.16 0.00 0.00 57.16 52.45 3kzl n GLU 156 Cb 0.14 -2.14 -0.07 0.00 1.43 0.00 0.00 31.44 30.80 3kzl n GLU 156 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kzl s SER 157 N -3.52 4.52 0.53 -1.84 1.04 -0.78 -2.32 113.70 111.33 3kzl s SER 157 Ca 0.46 -0.94 0.32 0.00 0.48 0.00 0.00 55.95 56.27 3kzl s SER 157 Cb 0.41 -0.58 1.48 0.00 0.10 0.00 0.00 66.02 67.43 3kzl s SER 157 CO -0.12 -0.43 1.86 -0.65 0.98 0.00 0.00 173.24 174.88 3kzl h PRO 158 N 1.49 0.03 -0.71 4.02 0.11 -1.86 -2.46 132.00 132.62 3kzl h PRO 158 Ca -0.43 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3kzl h PRO 158 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3kzl h PRO 158 CO 0.66 0.02 0.31 -0.07 -0.21 0.00 0.00 178.00 178.71 3kzl h LEU 159 N 0.03 0.94 -0.63 2.35 3.38 -1.89 0.10 115.31 119.59 3kzl h LEU 159 Ca 0.48 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 3kzl h LEU 159 Cb 1.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 3kzl h LEU 159 CO -0.02 0.82 -0.07 -0.09 0.09 0.00 0.00 178.44 179.16 3kzl h ARG 160 N 1.01 1.00 -0.07 1.13 9.65 -1.60 -1.71 114.38 123.79 3kzl h ARG 160 Ca 0.24 -0.35 -0.10 0.00 -1.10 0.00 0.00 59.98 58.67 3kzl h ARG 160 Cb 0.16 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3kzl h ARG 160 CO -0.03 1.03 -0.41 0.87 2.80 0.00 0.00 179.97 184.23 3kzl h LYS 161 N 0.90 0.16 -0.19 0.20 1.57 -1.19 -0.73 116.57 117.30 3kzl h LYS 161 Ca 0.15 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3kzl h LYS 161 Cb 0.63 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3kzl h LYS 161 CO 0.04 0.55 -0.36 0.82 -0.57 0.00 0.00 179.45 179.93 3kzl h ILE 162 N 0.13 1.34 -0.65 1.86 2.04 -0.72 -2.81 117.51 118.70 3kzl h ILE 162 Ca 0.01 -1.59 0.14 0.00 1.00 0.00 0.00 64.86 64.42 3kzl h ILE 162 Cb 0.79 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 38.64 3kzl h ILE 162 CO 0.06 0.49 0.03 0.22 0.00 0.00 0.00 178.15 178.95 3kzl h TYR 163 N 0.24 0.01 -0.14 1.37 3.20 -0.97 -2.16 116.97 118.52 3kzl h TYR 163 Ca 0.01 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3kzl h TYR 163 Cb 0.95 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3kzl h TYR 163 CO 0.09 -0.16 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.81 3kzl h ASP 164 N 0.14 0.23 0.04 -2.11 3.32 -1.02 -1.87 116.42 115.15 3kzl h ASP 164 Ca 0.35 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3kzl h ASP 164 Cb 0.57 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kzl h ASP 164 CO -0.54 0.44 -0.01 0.18 -1.72 0.00 0.00 179.24 177.59 3kzl n LEU 165 N -4.21 0.66 -3.32 1.55 4.77 -1.00 -4.93 117.00 110.53 3kzl n LEU 165 Ca -0.01 -0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.58 3kzl n LEU 165 Cb 0.32 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3kzl n LEU 165 CO 0.39 0.11 0.17 -0.67 -1.33 0.00 0.00 177.39 176.06 3kzl n ASP 166 N -0.52 -4.20 -2.98 -1.43 2.03 -0.70 -4.94 116.55 103.80 3kzl n ASP 166 Ca 0.21 -0.53 -0.14 0.00 0.52 0.00 0.00 54.79 54.84 3kzl n ASP 166 Cb 0.23 -4.75 0.09 0.00 -0.72 0.00 0.00 41.12 35.98 3kzl n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kzl n GLY 167 N -1.54 -0.98 3.51 0.27 0.00 -0.86 -4.83 105.19 100.76 3kzl n GLY 167 Ca -0.12 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 3kzl n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kzl s TYR 168 N -2.25 2.37 -0.08 1.61 2.02 0.89 -0.83 117.35 121.08 3kzl s TYR 168 Ca 0.36 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3kzl s TYR 168 Cb -0.01 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 3kzl s TYR 168 CO 0.25 0.66 -0.19 0.42 -1.57 0.00 0.00 175.55 175.12 3kzl s ILE 169 N -2.52 1.66 -0.17 2.71 1.01 -1.26 -1.12 121.20 121.50 3kzl s ILE 169 Ca 0.31 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 3kzl s ILE 169 Cb -0.03 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3kzl s ILE 169 CO 0.16 0.47 -0.14 -0.22 0.00 0.00 0.00 174.94 175.21 3kzl s LEU 170 N 0.42 2.49 -0.23 2.97 2.96 -0.08 -4.20 118.68 123.01 3kzl s LEU 170 Ca -0.16 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 3kzl s LEU 170 Cb -0.17 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3kzl s LEU 170 CO 0.06 0.06 0.01 -0.76 -1.32 0.00 0.00 176.35 174.40 3kzl s LEU 171 N 0.98 3.15 -0.44 -0.68 1.43 0.08 -1.55 118.68 121.65 3kzl s LEU 171 Ca -0.02 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3kzl s LEU 171 Cb -0.15 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.37 3kzl s LEU 171 CO -0.02 -0.01 0.27 -0.63 0.23 0.00 0.00 176.35 176.18 3kzl s ILE 172 N 1.47 3.67 -0.69 -0.59 1.01 0.14 -2.06 121.20 124.15 3kzl s ILE 172 Ca 0.05 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.74 3kzl s ILE 172 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3kzl s ILE 172 CO 0.00 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.82 3kzl n GLY 173 N 4.70 0.83 3.21 6.18 0.00 -0.69 -1.06 105.19 118.35 3kzl n GLY 173 Ca -0.04 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 3kzl n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kzl s VAL 174 N -2.05 1.24 0.09 1.61 -7.23 -1.26 -4.66 120.40 108.13 3kzl s VAL 174 Ca 0.00 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3kzl s VAL 174 Cb 0.00 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.63 3kzl s VAL 174 CO 0.00 -0.32 0.12 0.61 -0.31 0.00 0.00 175.10 175.20 3kzl n GLY 175 N 0.89 1.17 0.18 2.32 0.00 -1.26 -4.89 105.19 103.61 3kzl n GLY 175 Ca -0.18 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 43.95 3kzl n GLY 175 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kzl h TYR 176 N -0.26 0.00 0.00 1.61 0.05 -1.92 -2.12 116.97 114.32 3kzl h TYR 176 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3kzl h TYR 176 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3kzl h TYR 176 CO 0.00 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.71 3kzl n ASP 177 N -2.50 0.53 -0.64 3.88 3.85 -1.26 -1.35 116.55 119.06 3kzl n ASP 177 Ca 0.01 0.66 0.13 0.00 -0.71 0.00 0.00 54.79 54.88 3kzl n ASP 177 Cb 0.21 -0.77 0.25 0.00 -1.35 0.00 0.00 41.12 39.47 3kzl n ASP 177 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kzl n SER 178 N -2.13 2.11 -4.56 -1.12 7.64 -0.80 -4.84 113.62 109.93 3kzl n SER 178 Ca 0.01 -1.61 -0.43 0.00 1.01 0.00 0.00 58.87 57.85 3kzl n SER 178 Cb 0.16 0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3kzl n SER 178 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3kzl s ASN 179 N -2.15 6.82 0.29 6.43 3.84 -0.46 -4.85 114.94 124.86 3kzl s ASN 179 Ca 0.29 -2.39 0.04 0.00 0.21 0.00 0.00 52.86 51.01 3kzl s ASN 179 Cb 0.20 -2.55 0.73 0.00 -0.55 0.00 0.00 41.25 39.08 3kzl s ASN 179 CO 0.39 -1.15 1.70 0.74 -2.79 0.00 0.00 177.10 175.98 3kzl h THR 180 N 5.60 0.47 -0.80 -5.21 2.02 -1.88 -2.41 112.91 110.71 3kzl h THR 180 Ca 0.39 -0.14 0.22 0.00 0.77 0.00 0.00 66.41 67.65 3kzl h THR 180 Cb 0.89 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3kzl h THR 180 CO 1.41 0.07 0.56 0.28 0.37 0.00 0.00 175.52 178.22 3kzl h SER 181 N 0.40 0.10 0.46 4.18 0.02 -1.98 0.18 113.55 116.91 3kzl h SER 181 Ca 0.56 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 3kzl h SER 181 Cb 1.06 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3kzl h SER 181 CO -0.53 0.04 0.00 0.58 -1.14 0.00 0.00 176.83 175.78 3kzl h VAL 182 N 0.10 0.00 -0.99 2.27 2.07 -1.81 0.05 116.25 117.94 3kzl h VAL 182 Ca 0.39 -0.20 0.15 0.00 0.82 0.00 0.00 66.70 67.85 3kzl h VAL 182 Cb 1.39 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3kzl h VAL 182 CO -0.04 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.39 3kzl h GLY 183 N 1.10 1.68 1.65 2.17 0.00 -0.80 -1.07 103.07 107.78 3kzl h GLY 183 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3kzl h GLY 183 CO 0.00 0.07 0.14 -2.00 0.00 0.00 0.00 176.54 174.75 3kzl h LEU 184 N 0.89 0.41 -0.60 3.11 5.85 -1.07 -2.23 115.31 121.68 3kzl h LEU 184 Ca 0.52 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.16 3kzl h LEU 184 Cb 0.64 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3kzl h LEU 184 CO -0.31 0.38 0.20 0.28 -0.34 0.00 0.00 178.44 178.65 3kzl h SER 185 N 0.47 0.86 -0.38 1.25 0.02 -1.27 -1.66 113.55 112.83 3kzl h SER 185 Ca 0.12 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3kzl h SER 185 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3kzl h SER 185 CO -0.01 0.83 0.21 -0.33 -1.14 0.00 0.00 176.83 176.39 3kzl h GLU 186 N 0.85 0.53 -0.58 3.45 5.08 -1.11 -1.48 114.58 121.31 3kzl h GLU 186 Ca 0.20 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3kzl h GLU 186 Cb 0.26 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3kzl h GLU 186 CO -0.01 0.43 0.24 0.28 -1.00 0.00 0.00 179.01 178.94 3kzl h VAL 187 N 0.49 0.82 -0.01 3.13 2.07 -1.35 -1.57 116.25 119.82 3kzl h VAL 187 Ca 0.13 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 3kzl h VAL 187 Cb 0.05 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3kzl h VAL 187 CO -0.02 0.08 -0.60 0.03 0.02 0.00 0.00 177.57 177.08 3kzl h ARG 188 N 0.43 0.05 0.00 1.57 3.08 -0.80 -3.24 114.38 115.47 3kzl h ARG 188 Ca 0.28 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 3kzl h ARG 188 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3kzl h ARG 188 CO -0.27 0.63 -1.20 0.66 -1.07 0.00 0.00 179.97 178.72 3kzl h SER 189 N 0.03 0.00 -0.17 7.04 4.64 -1.14 -3.48 113.55 120.47 3kzl h SER 189 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kzl h SER 189 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3kzl h SER 189 CO 0.08 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3kzl n GLY 190 N 1.30 0.84 0.19 -0.77 0.00 -0.66 -4.87 105.19 101.21 3kzl n GLY 190 Ca -0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 3kzl n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kzl h ALA 191 N 0.00 0.59 -1.48 4.61 0.00 -1.68 -3.46 119.26 117.84 3kzl h ALA 191 Ca 0.00 -0.57 -0.62 0.00 0.00 0.00 0.00 54.91 53.72 3kzl h ALA 191 Cb 0.74 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 3kzl h ALA 191 CO 0.00 0.73 -0.56 0.00 0.00 0.00 0.00 179.25 179.41 3kzl s GLU 193 N -3.78 4.06 0.40 0.00 8.01 -1.26 -4.82 118.70 121.30 3kzl s GLU 193 Ca 0.33 1.19 -0.16 0.00 0.01 0.00 0.00 54.97 56.33 3kzl s GLU 193 Cb 0.07 -2.15 -0.09 0.00 -4.31 0.00 0.00 34.13 27.66 3kzl s GLU 193 CO 0.17 -0.19 0.84 -0.51 0.01 0.00 0.00 175.26 175.59 3kzl s LEU 194 N -3.36 3.92 -0.03 1.80 1.02 -1.26 -0.59 118.68 120.18 3kzl s LEU 194 Ca 0.63 1.42 -0.06 0.00 0.02 0.00 0.00 54.13 56.14 3kzl s LEU 194 Cb -0.11 -4.27 0.01 0.00 0.02 0.00 0.00 46.19 41.83 3kzl s LEU 194 CO 0.17 -0.34 0.14 0.27 0.02 0.00 0.00 176.35 176.61 3kzl s ILE 195 N -2.20 0.04 -0.12 -0.59 -4.36 0.13 -4.83 121.20 109.26 3kzl s ILE 195 Ca 0.57 -0.37 -0.29 0.00 -0.26 0.00 0.00 60.65 60.29 3kzl s ILE 195 Cb -0.10 -0.33 -0.02 0.00 1.25 0.00 0.00 42.46 43.27 3kzl s ILE 195 CO 0.20 -0.20 1.21 -0.75 0.24 0.00 0.00 174.94 175.64 3kzl s LYS 196 N -0.69 4.29 0.34 0.37 2.20 -1.26 -1.40 119.74 123.59 3kzl s LYS 196 Ca -0.08 1.63 0.05 0.00 -0.36 0.00 0.00 55.97 57.21 3kzl s LYS 196 Cb -0.05 -3.66 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 3kzl s LYS 196 CO 0.01 -0.58 0.03 0.14 -0.36 0.00 0.00 175.35 174.59 3kzl s VAL 197 N 2.90 1.41 0.05 4.02 -7.23 -0.34 -4.98 120.40 116.24 3kzl s VAL 197 Ca 0.54 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.61 3kzl s VAL 197 Cb -0.22 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 3kzl s VAL 197 CO 0.17 -0.04 0.17 -0.83 -0.31 0.00 0.00 175.10 174.26 3kzl s GLY 198 N -3.52 0.08 -0.07 2.32 0.00 -1.26 -1.19 107.32 103.68 3kzl s GLY 198 Ca 0.35 -0.44 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 3kzl s GLY 198 CO 0.16 -0.61 0.89 0.00 0.00 0.00 0.00 173.10 173.53 3kzl s ALA 199 N -2.97 -1.85 -0.19 3.20 0.00 -0.38 -2.63 121.76 116.93 3kzl s ALA 199 Ca -0.02 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 3kzl s ALA 199 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3kzl s ALA 199 CO -0.06 -0.49 0.63 -1.25 0.00 0.00 0.00 175.76 174.59 3kzl s PRO 200 N -2.02 4.23 0.25 0.00 0.04 -1.26 -0.47 135.00 135.77 3kzl s PRO 200 Ca -0.00 0.62 0.07 0.00 0.04 0.00 0.00 61.00 61.73 3kzl s PRO 200 Cb -0.01 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.91 3kzl s PRO 200 CO -0.02 -0.21 -0.09 0.96 0.04 0.00 0.00 177.00 177.68 3kzl s ILE 201 N 1.81 1.70 -0.37 0.56 -4.36 0.21 -0.96 121.20 119.80 3kzl s ILE 201 Ca 0.29 -2.17 -0.19 0.00 -0.26 0.00 0.00 60.65 58.32 3kzl s ILE 201 Cb -0.16 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.26 3kzl s ILE 201 CO 0.11 -0.41 0.57 -0.63 0.24 0.00 0.00 174.94 174.82 3kzl s ILE 202 N -2.99 4.95 -0.22 8.37 -1.09 -1.26 -0.80 121.20 128.16 3kzl s ILE 202 Ca 0.27 0.36 -0.00 0.00 -2.23 0.00 0.00 60.65 59.05 3kzl s ILE 202 Cb 0.02 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 3kzl s ILE 202 CO 0.10 -0.32 -0.03 -0.70 -1.23 0.00 0.00 174.94 172.76 3kzl s GLU 203 N 2.56 1.38 -0.73 2.79 2.12 0.95 -4.79 118.70 122.98 3kzl s GLU 203 Ca 0.21 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.69 3kzl s GLU 203 Cb -0.15 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 31.78 3kzl s GLU 203 CO 0.15 -0.61 0.61 0.09 -0.54 0.00 0.00 175.26 174.96 3kzl n ASN 204 N 4.77 -2.29 0.00 -1.70 3.02 -1.26 -2.91 115.26 114.89 3kzl n ASN 204 Ca -0.11 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3kzl n ASN 204 Cb 0.45 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 3kzl n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kzl n GLY 205 N -1.11 1.68 3.67 7.41 0.00 -1.26 -4.98 105.19 110.60 3kzl n GLY 205 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 3kzl n GLY 205 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kzl s GLU 206 N -0.01 2.32 -0.17 1.61 0.41 -1.14 -5.07 118.70 116.65 3kzl s GLU 206 Ca 0.00 -1.46 -0.21 0.00 -0.41 0.00 0.00 54.97 52.88 3kzl s GLU 206 Cb 0.00 -2.16 -0.03 0.00 -1.78 0.00 0.00 34.13 30.16 3kzl s GLU 206 CO 0.00 0.29 0.65 0.50 -0.49 0.00 0.00 175.26 176.20 3kzl s ARG 207 N -3.72 4.26 -0.03 1.61 3.52 -1.26 -0.04 118.95 123.29 3kzl s ARG 207 Ca 0.33 0.68 0.04 0.00 -0.13 0.00 0.00 55.73 56.65 3kzl s ARG 207 Cb -0.05 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3kzl s ARG 207 CO 0.21 -0.17 -0.15 0.08 -0.81 0.00 0.00 175.30 174.45 3kzl s VAL 208 N 1.67 1.25 -0.66 7.11 1.01 0.02 -4.95 120.40 125.85 3kzl s VAL 208 Ca 0.31 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 3kzl s VAL 208 Cb -0.16 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.20 3kzl s VAL 208 CO 0.12 0.36 1.05 0.86 0.00 0.00 0.00 175.10 177.49 3kzl s TRP 209 N -0.02 2.59 -0.05 5.22 -0.11 -1.26 -0.62 118.94 124.69 3kzl s TRP 209 Ca -0.01 -0.29 -0.12 0.00 1.22 0.00 0.00 56.10 56.90 3kzl s TRP 209 Cb -0.10 -4.35 -0.05 0.00 -1.50 0.00 0.00 33.47 27.48 3kzl s TRP 209 CO 0.01 -1.70 0.31 0.21 -4.62 0.00 0.00 176.95 171.16 3kzl s LYS 210 N 4.50 3.78 -0.02 5.86 2.47 0.38 -4.90 119.74 131.81 3kzl s LYS 210 Ca 0.28 0.20 0.01 0.00 -1.56 0.00 0.00 55.97 54.90 3kzl s LYS 210 Cb -0.13 -3.23 -0.03 0.00 -1.46 0.00 0.00 37.83 32.98 3kzl s LYS 210 CO 0.14 0.69 -0.01 -1.21 0.16 0.00 0.00 175.35 175.11 3kzl s GLU 211 N -0.95 2.79 0.36 4.03 2.02 -1.26 -1.26 118.70 124.44 3kzl s GLU 211 Ca 0.20 -0.58 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 3kzl s GLU 211 Cb -0.15 -2.67 0.04 0.00 0.10 0.00 0.00 34.13 31.46 3kzl s GLU 211 CO 0.09 0.64 0.68 1.97 0.02 0.00 0.00 175.26 178.66 3kzl n PHE 212 N 1.63 -2.08 -4.43 1.61 1.16 -0.33 -5.00 117.46 110.02 3kzl n PHE 212 Ca -0.16 -1.88 -0.34 0.00 -1.87 0.00 0.00 57.45 53.20 3kzl n PHE 212 Cb 0.53 0.79 -0.11 0.00 -1.61 0.00 0.00 39.48 39.08 3kzl n PHE 212 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3kzl s VAL 213 N -2.31 4.05 0.00 1.97 1.01 -1.26 -1.20 120.40 122.66 3kzl s VAL 213 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3kzl s VAL 213 Cb -0.04 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3kzl s VAL 213 CO 0.13 0.57 0.00 -0.67 0.00 0.00 0.00 175.10 175.13 3kzl n ASP 214 N 2.61 0.00 -3.63 3.32 -0.08 -0.49 -4.27 116.55 114.01 3kzl n ASP 214 Ca -0.18 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.83 3kzl n ASP 214 Cb 0.53 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.88 3kzl n ASP 214 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3kzl n ASP 216 N 0.00 1.65 -4.67 1.67 -0.08 0.24 0.18 116.55 115.53 3kzl n ASP 216 Ca 0.00 -2.90 -0.45 0.00 -1.51 0.00 0.00 54.79 49.93 3kzl n ASP 216 Cb 0.00 -0.67 -0.03 0.00 2.34 0.00 0.00 41.12 42.76 3kzl n ASP 216 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3kzl n TYR 217 N 2.13 2.20 -3.83 -0.67 4.01 -1.26 -4.59 117.16 115.15 3kzl n TYR 217 Ca 0.25 0.39 -0.35 0.00 -0.16 0.00 0.00 57.90 58.03 3kzl n TYR 217 Cb 0.41 -2.48 -0.13 0.00 -0.31 0.00 0.00 39.34 36.84 3kzl n TYR 217 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kzl s ASP 218 N 0.43 5.11 0.35 7.72 2.15 -1.26 -4.99 116.67 126.18 3kzl s ASP 218 Ca 0.71 -1.75 0.09 0.00 0.43 0.00 0.00 52.55 52.03 3kzl s ASP 218 Cb -0.66 -1.78 0.82 0.00 -0.30 0.00 0.00 42.92 41.01 3kzl s ASP 218 CO 0.47 -0.43 1.86 0.28 -0.17 0.00 0.00 175.17 177.18 3kzl h SER 219 N 8.01 0.65 0.14 -0.34 0.02 -1.93 -3.20 113.55 116.91 3kzl h SER 219 Ca -0.16 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3kzl h SER 219 Cb 1.05 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3kzl h SER 219 CO 0.63 0.32 -0.19 0.44 -1.14 0.00 0.00 176.83 176.89 3kzl h ASP 220 N 0.69 0.10 0.08 3.07 3.32 -1.94 -0.93 116.42 120.81 3kzl h ASP 220 Ca 0.46 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 3kzl h ASP 220 Cb 0.75 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3kzl h ASP 220 CO -0.22 0.31 -0.23 0.11 -1.72 0.00 0.00 179.24 177.49 3kzl h LYS 221 N 0.10 0.26 -0.79 3.56 1.57 -1.99 -3.22 116.57 116.06 3kzl h LYS 221 Ca 0.02 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3kzl h LYS 221 Cb 0.40 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3kzl h LYS 221 CO 0.03 0.49 0.51 0.74 -0.57 0.00 0.00 179.45 180.65 3kzl h PHE 222 N 0.24 0.78 -0.22 -1.35 -1.00 -1.31 -2.10 116.94 111.98 3kzl h PHE 222 Ca 0.04 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3kzl h PHE 222 Cb 0.55 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3kzl h PHE 222 CO 0.01 0.37 0.10 0.28 -1.61 0.00 0.00 178.31 177.46 3kzl h VAL 223 N 0.73 1.15 -0.29 -0.55 2.07 -1.63 -1.28 116.25 116.45 3kzl h VAL 223 Ca 0.36 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 3kzl h VAL 223 Cb 0.43 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kzl h VAL 223 CO -0.14 0.14 -0.51 -0.08 0.02 0.00 0.00 177.57 177.00 3kzl h GLU 224 N 0.22 0.82 -0.92 1.57 4.81 -1.59 -2.16 114.58 117.33 3kzl h GLU 224 Ca 0.07 -0.50 0.10 0.00 -0.13 0.00 0.00 59.36 58.90 3kzl h GLU 224 Cb 0.14 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 3kzl h GLU 224 CO -0.01 1.13 0.59 0.82 -0.73 0.00 0.00 179.01 180.82 3kzl h ILE 225 N 0.64 0.97 -0.19 2.32 2.04 -1.35 -2.51 117.51 119.44 3kzl h ILE 225 Ca 0.02 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3kzl h ILE 225 Cb 1.10 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3kzl h ILE 225 CO 0.11 0.17 -0.03 1.23 0.00 0.00 0.00 178.15 179.63 3kzl h GLY 226 N 0.94 0.39 0.92 5.37 0.00 -0.74 -0.70 103.07 109.25 3kzl h GLY 226 Ca 0.43 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.46 3kzl h GLY 226 CO -0.19 0.29 0.37 -2.08 0.00 0.00 0.00 176.54 174.93 3kzl h VAL 227 N 0.09 1.10 -0.51 4.60 2.07 -1.30 -1.14 116.25 121.16 3kzl h VAL 227 Ca 0.05 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 3kzl h VAL 227 Cb 0.46 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3kzl h VAL 227 CO 0.02 0.13 -0.12 -0.33 0.02 0.00 0.00 177.57 177.29 3kzl h GLU 228 N 0.74 0.97 -0.82 1.57 5.08 -1.37 -2.98 114.58 117.77 3kzl h GLU 228 Ca 0.23 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3kzl h GLU 228 Cb -0.02 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3kzl h GLU 228 CO -0.08 1.04 0.36 0.35 -1.00 0.00 0.00 179.01 179.68 3kzl h PHE 229 N 0.84 1.21 0.00 4.33 3.57 -0.89 -3.03 116.94 122.97 3kzl h PHE 229 Ca 0.13 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3kzl h PHE 229 Cb 0.68 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3kzl h PHE 229 CO 0.05 0.90 -0.24 0.93 -2.23 0.00 0.00 178.31 177.71 3kzl h GLU 230 N 1.18 0.00 -0.30 1.11 5.08 -1.08 -1.98 114.58 118.58 3kzl h GLU 230 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3kzl h GLU 230 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3kzl h GLU 230 CO -0.03 0.24 0.14 1.96 -1.00 0.00 0.00 179.01 180.32 3kzl h GLN 231 N 0.00 0.42 0.00 2.33 4.20 -1.39 -2.08 115.11 118.58 3kzl h GLN 231 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3kzl h GLN 231 Cb 0.55 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3kzl h GLN 231 CO 0.03 0.34 -0.05 0.87 -0.67 0.00 0.00 178.83 179.35 3kzl h LYS 232 N 0.42 0.00 0.00 1.46 1.79 -1.42 -3.47 116.57 115.35 3kzl h LYS 232 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3kzl h LYS 232 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3kzl h LYS 232 CO -0.01 0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.82 3kzl n GLY 233 N -1.25 2.51 0.94 3.86 0.00 -0.78 -5.00 105.19 105.47 3kzl n GLY 233 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kzl n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kzl n THR 234 N -0.70 0.79 -4.68 2.61 -2.24 -1.26 -4.78 114.28 104.02 3kzl n THR 234 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3kzl n THR 234 Cb 0.00 -0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 67.19 3kzl n THR 234 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kzl s VAL 235 N -0.01 2.63 0.86 2.28 1.01 -1.26 -4.59 120.40 121.31 3kzl s VAL 235 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3kzl s VAL 235 Cb 0.00 -2.10 0.17 0.00 0.00 0.00 0.00 36.38 34.45 3kzl s VAL 235 CO 0.00 0.52 1.18 -0.89 0.00 0.00 0.00 175.10 175.91 3kzl s THR 236 N 0.65 2.05 -5.00 3.92 2.01 0.03 -4.93 115.64 114.39 3kzl s THR 236 Ca -0.08 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.65 3kzl s THR 236 Cb -0.16 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.57 3kzl s THR 236 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 3kzl n GLY 238 N -3.35 0.68 3.39 4.40 0.00 -0.78 -0.57 105.19 108.96 3kzl n GLY 238 Ca 0.15 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 3kzl n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzl s LYS 239 N -1.18 1.72 -0.33 1.61 -0.14 -1.26 -0.53 119.74 119.63 3kzl s LYS 239 Ca 0.00 -1.17 -0.02 0.00 -1.36 0.00 0.00 55.97 53.42 3kzl s LYS 239 Cb 0.00 -2.01 0.07 0.00 -1.68 0.00 0.00 37.83 34.21 3kzl s LYS 239 CO 0.00 0.49 0.06 0.42 -0.76 0.00 0.00 175.35 175.56 3kzl s ILE 240 N -0.94 3.02 0.00 2.17 1.01 -0.77 -4.82 121.20 120.86 3kzl s ILE 240 Ca 0.14 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.16 3kzl s ILE 240 Cb -0.10 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3kzl s ILE 240 CO 0.05 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.31 3kzl n GLY 241 N 4.59 4.18 0.08 6.18 0.00 -1.26 -0.74 105.19 118.22 3kzl n GLY 241 Ca -0.09 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3kzl n GLY 241 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kzl n ASN 242 N 8.08 0.59 -4.70 1.61 3.02 0.94 -4.94 115.26 119.87 3kzl n ASN 242 Ca 0.00 -0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 53.73 3kzl n ASN 242 Cb 0.00 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3kzl n ASN 242 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kzl s ALA 243 N -2.80 3.43 -0.20 5.41 0.00 0.08 -4.84 121.76 122.84 3kzl s ALA 243 Ca 0.17 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3kzl s ALA 243 Cb 0.18 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3kzl s ALA 243 CO 0.61 -0.60 1.09 0.15 0.00 0.00 0.00 175.76 177.01 3kzl s LYS 244 N 1.70 4.27 0.17 0.00 1.02 -1.26 -1.85 119.74 123.80 3kzl s LYS 244 Ca 0.57 1.44 0.10 0.00 0.02 0.00 0.00 55.97 58.09 3kzl s LYS 244 Cb -0.26 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 3kzl s LYS 244 CO 0.25 -0.61 -0.20 0.00 -0.92 0.00 0.00 175.35 173.87 3kzl s ARG 246 N -2.72 0.42 0.16 0.00 0.52 -0.88 -1.87 118.95 114.59 3kzl s ARG 246 Ca 0.17 -0.04 0.11 0.00 -0.52 0.00 0.00 55.73 55.45 3kzl s ARG 246 Cb -0.07 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 3kzl s ARG 246 CO 0.08 -0.05 -0.23 -1.17 0.02 0.00 0.00 175.30 173.95 3kzl s LEU 247 N 0.62 2.49 -0.23 2.53 2.96 0.27 -0.74 118.68 126.58 3kzl s LEU 247 Ca -0.07 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 52.98 3kzl s LEU 247 Cb -0.10 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 3kzl s LEU 247 CO -0.01 0.14 0.14 -0.54 -1.32 0.00 0.00 176.35 174.76 3kzl s LYS 249 N -2.45 4.04 0.22 1.98 1.02 -1.26 -0.79 119.74 122.51 3kzl s LYS 249 Ca 0.19 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 3kzl s LYS 249 Cb -0.09 -3.47 0.33 0.00 -0.52 0.00 0.00 37.83 34.08 3kzl s LYS 249 CO 0.09 0.10 1.77 0.37 -0.92 0.00 0.00 175.35 176.76 3kzl h GLN 250 N 7.36 0.54 -0.86 1.68 4.15 -1.26 -1.78 115.11 124.94 3kzl h GLN 250 Ca -0.38 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.01 3kzl h GLN 250 Cb 1.17 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.69 3kzl h GLN 250 CO 0.67 0.36 0.55 0.00 -1.93 0.00 0.00 178.83 178.47 3kzl h ARG 251 N 0.56 1.14 0.01 1.69 3.08 -1.89 0.66 114.38 119.63 3kzl h ARG 251 Ca 0.34 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3kzl h ARG 251 Cb 0.38 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kzl h ARG 251 CO -0.28 0.77 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.94 3kzl h ASP 252 N 1.17 -0.02 -0.45 7.04 3.32 -1.71 -0.91 116.42 124.86 3kzl h ASP 252 Ca 0.31 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 3kzl h ASP 252 Cb -0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kzl h ASP 252 CO -0.06 0.20 -0.25 -0.29 -1.72 0.00 0.00 179.24 177.12 3kzl h ILE 253 N -0.23 1.27 -0.43 0.35 6.09 -1.24 -1.93 117.51 121.40 3kzl h ILE 253 Ca -0.00 -1.41 -0.06 0.00 -1.37 0.00 0.00 64.86 62.02 3kzl h ILE 253 Cb 0.22 1.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 3kzl h ILE 253 CO 0.00 0.48 0.05 0.58 -3.07 0.00 0.00 178.15 176.20 3kzl h VAL 254 N 0.84 1.25 -0.70 2.19 2.07 -0.83 -0.09 116.25 120.98 3kzl h VAL 254 Ca 0.10 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 3kzl h VAL 254 Cb 0.83 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kzl h VAL 254 CO 0.07 0.32 0.20 0.44 0.02 0.00 0.00 177.57 178.62 3kzl h ASP 255 N 0.57 1.04 -0.55 0.57 3.32 -1.18 -1.51 116.42 118.68 3kzl h ASP 255 Ca 0.13 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3kzl h ASP 255 Cb 0.41 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kzl h ASP 255 CO 0.01 0.98 0.04 0.15 -1.72 0.00 0.00 179.24 178.70 3kzl h PHE 256 N 1.04 1.04 -0.32 4.55 3.57 -1.06 -2.38 116.94 123.38 3kzl h PHE 256 Ca 0.22 -0.15 -0.15 0.00 3.53 0.00 0.00 57.97 61.42 3kzl h PHE 256 Cb 0.33 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3kzl h PHE 256 CO 0.03 0.91 -0.40 0.78 -2.23 0.00 0.00 178.31 177.40 3kzl h GLY 257 N 1.01 0.84 0.94 2.40 0.00 -0.79 -0.56 103.07 106.91 3kzl h GLY 257 Ca 0.17 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 3kzl h GLY 257 CO 0.02 0.77 -0.02 -0.84 0.00 0.00 0.00 176.54 176.47 3kzl h THR 258 N 0.63 1.01 -0.37 4.70 2.02 -1.15 -1.93 112.91 117.82 3kzl h THR 258 Ca 0.05 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.14 3kzl h THR 258 Cb 0.95 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 3kzl h THR 258 CO 0.09 0.04 0.10 -0.33 0.37 0.00 0.00 175.52 175.78 3kzl h GLU 259 N -0.11 0.23 -0.84 6.66 5.08 -1.32 -2.82 114.58 121.46 3kzl h GLU 259 Ca -0.00 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3kzl h GLU 259 Cb 0.09 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3kzl h GLU 259 CO 0.01 0.15 0.55 2.35 -1.00 0.00 0.00 179.01 181.06 3kzl h TRP 260 N 0.23 0.90 0.00 4.33 7.01 -0.91 -2.37 115.95 125.14 3kzl h TRP 260 Ca 0.17 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.10 3kzl h TRP 260 Cb 0.18 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 3kzl h TRP 260 CO -0.17 0.44 -0.43 0.74 -2.79 0.00 0.00 178.44 176.23 3kzl h PHE 261 N 0.86 0.00 0.18 2.65 0.04 -1.10 -3.27 116.94 116.30 3kzl h PHE 261 Ca 0.38 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.84 3kzl h PHE 261 Cb 0.34 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.51 3kzl h PHE 261 CO -0.00 0.43 -1.34 0.00 -0.60 0.00 0.00 178.31 176.80 3kzl h ARG 262 N 0.00 0.47 0.00 1.51 3.08 -1.35 -3.48 114.38 114.61 3kzl h ARG 262 Ca -0.00 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.30 3kzl h ARG 262 Cb 1.05 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3kzl h ARG 262 CO 0.06 1.35 0.00 1.63 -1.07 0.00 0.00 179.97 181.93