#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiw n HIS 3 N 0.00 0.41 -0.19 -1.55 8.25 -1.26 -4.48 115.22 116.40 3kiw n HIS 3 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 3kiw n HIS 3 Cb 0.00 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.53 3kiw n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3kiw n LEU 4 N 1.17 -1.00 0.00 2.41 7.94 -1.26 -5.04 117.00 121.22 3kiw n LEU 4 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 3kiw n LEU 4 Cb 0.07 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 43.75 3kiw n LEU 4 CO 0.46 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.03 3kiw n LYS 5 N 1.44 0.00 -3.64 1.96 4.76 -1.26 -5.05 118.16 116.37 3kiw n LYS 5 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 3kiw n LYS 5 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 3kiw n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kiw s SER 6 N 0.00 -0.84 0.00 4.39 1.04 -1.26 -5.19 113.70 111.83 3kiw s SER 6 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 3kiw s SER 6 Cb 0.00 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.49 3kiw s SER 6 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3kiw n GLY 7 N 3.84 3.12 0.00 7.32 0.00 -1.26 -5.07 105.19 113.15 3kiw n GLY 7 Ca -0.18 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3kiw n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiw n ARG 8 N 0.00 0.00 -1.74 1.61 3.00 -1.26 -5.14 116.66 113.12 3kiw n ARG 8 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.46 3kiw n ARG 8 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 3kiw n ARG 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kiw n LYS 9 N 0.00 1.63 -3.20 5.56 2.85 -1.26 -5.05 118.16 118.68 3kiw n LYS 9 Ca 0.00 0.60 0.04 0.00 -1.05 0.00 0.00 58.31 57.90 3kiw n LYS 9 Cb 0.00 -2.58 -0.02 0.00 -0.65 0.00 0.00 35.03 31.79 3kiw n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kiw s LEU 10 N -3.57 -1.04 -0.33 -5.58 1.43 -1.26 -5.11 118.68 103.22 3kiw s LEU 10 Ca 0.73 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 3kiw s LEU 10 Cb -0.41 1.92 0.09 0.00 0.03 0.00 0.00 46.19 47.81 3kiw s LEU 10 CO 0.48 -0.20 0.02 0.21 0.23 0.00 0.00 176.35 177.10 3kiw s ASN 11 N 2.86 4.75 0.00 2.29 3.84 -1.26 -4.98 114.94 122.45 3kiw s ASN 11 Ca 0.11 -1.89 0.00 0.00 0.21 0.00 0.00 52.86 51.29 3kiw s ASN 11 Cb -0.13 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 3kiw s ASN 11 CO -0.18 -0.34 0.00 0.54 -2.79 0.00 0.00 177.10 174.33 3kiw n ARG 12 N 4.36 -1.97 -3.96 0.43 1.74 -1.26 -4.94 116.66 111.06 3kiw n ARG 12 Ca -0.02 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 3kiw n ARG 12 Cb 0.42 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.84 3kiw n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kiw s HIS 13 N -1.90 3.47 0.00 -1.55 -3.43 -1.26 -4.77 115.29 105.85 3kiw s HIS 13 Ca 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 3kiw s HIS 13 Cb 0.00 -1.62 0.00 0.00 -1.43 0.00 0.00 32.58 29.53 3kiw s HIS 13 CO 0.00 0.48 0.30 -1.13 -2.00 0.00 0.00 174.74 172.39 3kiw n SER 14 N -0.99 0.00 -0.16 7.38 3.41 -1.26 -0.48 113.62 121.52 3kiw n SER 14 Ca -0.08 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.79 3kiw n SER 14 Cb 0.56 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 3kiw n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kiw n SER 15 N -1.22 -0.39 0.10 4.04 2.88 -1.26 -1.48 113.62 116.28 3kiw n SER 15 Ca 0.00 1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 58.43 3kiw n SER 15 Cb 0.00 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 3kiw n SER 15 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3kiw h HIS 16 N 0.00 -0.55 -0.90 0.66 -0.00 -1.69 -1.71 115.15 110.95 3kiw h HIS 16 Ca 0.06 0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.59 3kiw h HIS 16 Cb 0.15 0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 27.72 3kiw h HIS 16 CO -0.71 -0.30 0.58 -0.09 -0.00 0.00 0.00 177.93 177.41 3kiw h ARG 17 N -0.38 0.66 0.06 5.26 2.43 0.03 0.33 114.38 122.78 3kiw h ARG 17 Ca 0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kiw h ARG 17 Cb 0.42 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3kiw h ARG 17 CO -0.14 0.44 -0.03 1.25 -1.51 0.00 0.00 179.97 179.98 3kiw h LEU 18 N 0.68 -0.07 -1.24 3.80 6.46 -1.02 -2.85 115.31 121.07 3kiw h LEU 18 Ca 0.46 -0.53 0.21 0.00 -0.12 0.00 0.00 57.88 57.90 3kiw h LEU 18 Cb 0.76 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.62 3kiw h LEU 18 CO -0.22 0.54 0.62 0.00 -0.62 0.00 0.00 178.44 178.76 3kiw h ALA 19 N 0.11 1.95 0.24 1.25 0.00 -0.60 -1.05 119.26 121.17 3kiw h ALA 19 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kiw h ALA 19 Cb 0.60 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3kiw h ALA 19 CO 0.01 -0.31 -0.38 1.25 0.00 0.00 0.00 179.25 179.82 3kiw h LEU 20 N 0.58 -1.10 -0.65 0.00 5.85 -0.23 0.93 115.31 120.69 3kiw h LEU 20 Ca 0.55 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.46 3kiw h LEU 20 Cb 1.11 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 42.41 3kiw h LEU 20 CO -0.30 -0.46 -0.45 1.88 -0.34 0.00 0.00 178.44 178.77 3kiw h TYR 21 N -0.66 -1.35 0.30 1.25 0.99 -0.99 -1.80 116.97 114.72 3kiw h TYR 21 Ca -0.03 0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 3kiw h TYR 21 Cb 0.61 0.68 -0.03 0.00 1.00 0.00 0.00 36.73 38.98 3kiw h TYR 21 CO -0.30 -0.42 -0.50 0.00 -0.00 0.00 0.00 178.16 176.93 3kiw h ARG 22 N -0.20 -0.82 0.00 4.88 3.08 -1.05 0.45 114.38 120.72 3kiw h ARG 22 Ca 0.19 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3kiw h ARG 22 Cb 0.55 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3kiw h ARG 22 CO -0.73 -0.55 0.65 -0.91 -1.07 0.00 0.00 179.97 177.36 3kiw h ASN 23 N -0.85 0.00 0.00 7.04 -0.26 -0.13 0.14 115.58 121.51 3kiw h ASN 23 Ca -0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.61 3kiw h ASN 23 Cb 0.79 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.04 3kiw h ASN 23 CO -0.17 0.00 -1.15 0.00 -1.06 0.00 0.00 177.43 175.05 3kiw n GLN 24 N -2.68 0.52 -0.32 0.81 6.02 -0.39 -3.59 117.38 117.75 3kiw n GLN 24 Ca -0.01 0.34 0.20 0.00 -0.01 0.00 0.00 57.00 57.52 3kiw n GLN 24 Cb 0.68 -1.54 0.41 0.00 1.02 0.00 0.00 30.24 30.80 3kiw n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kiw h ALA 25 N -0.96 1.63 -0.18 -1.58 0.00 0.10 0.68 119.26 118.96 3kiw h ALA 25 Ca -0.15 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kiw h ALA 25 Cb 1.00 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3kiw h ALA 25 CO -0.09 -0.62 0.11 0.87 0.00 0.00 0.00 179.25 179.52 3kiw h LYS 26 N 0.16 0.25 -0.01 0.00 1.57 -0.97 0.14 116.57 117.70 3kiw h LYS 26 Ca 0.68 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.43 3kiw h LYS 26 Cb 1.53 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 3kiw h LYS 26 CO -0.72 0.20 0.00 0.77 -0.57 0.00 0.00 179.45 179.14 3kiw h SER 27 N 0.22 0.01 -0.24 0.86 0.02 0.11 -3.00 113.55 111.53 3kiw h SER 27 Ca 0.07 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3kiw h SER 27 Cb 0.02 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3kiw h SER 27 CO -0.01 0.09 0.01 0.25 -1.14 0.00 0.00 176.83 176.03 3kiw h LEU 28 N -0.08 -0.06 -1.38 5.07 7.12 -0.30 0.61 115.31 126.29 3kiw h LEU 28 Ca 0.00 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.06 3kiw h LEU 28 Cb 0.09 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 3kiw h LEU 28 CO -0.00 -0.00 0.00 0.18 -0.13 0.00 0.00 178.44 178.49 3kiw n LEU 29 N -5.13 1.13 0.00 2.25 4.32 0.48 -0.12 117.00 119.93 3kiw n LEU 29 Ca -0.02 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 3kiw n LEU 29 Cb 0.12 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 3kiw n LEU 29 CO 0.26 0.22 -0.17 0.41 -1.22 0.00 0.00 177.39 176.89 3kiw n THR 30 N 0.37 0.00 0.97 -5.08 -1.04 -0.07 -4.83 114.28 104.61 3kiw n THR 30 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3kiw n THR 30 Cb 0.22 -0.48 -0.06 0.00 -1.82 0.00 0.00 70.33 68.19 3kiw n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kiw n HIS 31 N -2.23 0.00 0.00 -1.42 8.25 0.01 -4.98 115.22 114.85 3kiw n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kiw n HIS 31 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3kiw n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiw n GLY 32 N 1.44 0.97 2.98 -1.41 0.00 0.83 -4.79 105.19 105.21 3kiw n GLY 32 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3kiw n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kiw s ARG 33 N 0.00 1.99 0.16 1.61 3.00 -1.26 -1.70 118.95 122.75 3kiw s ARG 33 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 55.73 55.39 3kiw s ARG 33 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 34.95 33.05 3kiw s ARG 33 CO 0.00 -0.21 -0.21 0.42 0.00 0.00 0.00 175.30 175.29 3kiw s ILE 34 N 1.46 2.55 -0.22 1.52 -1.09 -0.62 -4.95 121.20 119.85 3kiw s ILE 34 Ca 0.02 -1.80 0.00 0.00 -2.23 0.00 0.00 60.65 56.65 3kiw s ILE 34 Cb -0.13 -2.20 0.06 0.00 -1.58 0.00 0.00 42.46 38.61 3kiw s ILE 34 CO -0.08 -0.02 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.68 3kiw s THR 35 N -1.41 1.32 0.00 2.92 2.01 -1.26 0.21 115.64 119.44 3kiw s THR 35 Ca 0.19 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.15 3kiw s THR 35 Cb -0.09 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3kiw s THR 35 CO 0.10 -0.08 0.00 0.35 -0.69 0.00 0.00 174.62 174.30 3kiw n THR 36 N 4.76 0.00 -2.48 -0.82 -2.24 -1.12 -5.00 114.28 107.38 3kiw n THR 36 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3kiw n THR 36 Cb 0.45 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 3kiw n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kiw s THR 37 N -1.38 3.56 0.16 4.28 -4.23 -1.26 -1.96 115.64 114.81 3kiw s THR 37 Ca 0.00 1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 61.51 3kiw s THR 37 Cb 0.00 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 3kiw s THR 37 CO 0.00 0.10 1.46 0.52 -0.54 0.00 0.00 174.62 176.16 3kiw n VAL 38 N 0.20 -0.63 0.07 2.29 0.31 -1.20 -1.15 118.33 118.22 3kiw n VAL 38 Ca 0.04 2.29 -0.11 0.00 -0.01 0.00 0.00 64.34 66.54 3kiw n VAL 38 Cb 0.48 -2.84 -0.05 0.00 -0.91 0.00 0.00 33.84 30.52 3kiw n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kiw h PRO 39 N 0.00 -0.34 -0.92 5.55 0.11 -1.92 0.24 132.00 134.72 3kiw h PRO 39 Ca 0.17 0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.52 3kiw h PRO 39 Cb 0.40 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.53 3kiw h PRO 39 CO -0.90 -0.23 0.61 0.87 -0.21 0.00 0.00 178.00 178.15 3kiw h LYS 40 N -0.36 0.33 0.29 1.05 1.57 -1.74 -0.94 116.57 116.78 3kiw h LYS 40 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3kiw h LYS 40 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kiw h LYS 40 CO -0.18 0.22 -0.14 0.00 -0.57 0.00 0.00 179.45 178.78 3kiw h ALA 41 N 1.60 -0.54 0.00 3.86 0.00 0.38 -2.50 119.26 122.06 3kiw h ALA 41 Ca 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kiw h ALA 41 Cb 1.29 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3kiw h ALA 41 CO -0.17 -0.51 0.47 0.87 0.00 0.00 0.00 179.25 179.92 3kiw h LYS 42 N -0.77 0.00 0.11 0.00 1.57 0.08 0.18 116.57 117.74 3kiw h LYS 42 Ca -0.04 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 3kiw h LYS 42 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3kiw h LYS 42 CO 0.07 0.00 -1.66 1.49 -0.57 0.00 0.00 179.45 178.77 3kiw h GLU 43 N 0.00 0.22 -0.92 3.15 4.57 -1.23 -3.34 114.58 117.03 3kiw h GLU 43 Ca 0.00 -0.38 0.12 0.00 -1.18 0.00 0.00 59.36 57.92 3kiw h GLU 43 Cb 0.95 0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 29.61 3kiw h GLU 43 CO 0.00 1.18 0.59 1.25 -1.18 0.00 0.00 179.01 180.85 3kiw h LEU 44 N -0.24 0.79 0.00 1.64 7.12 -0.21 -3.10 115.31 121.31 3kiw h LEU 44 Ca -0.37 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.68 3kiw h LEU 44 Cb 1.82 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 3kiw h LEU 44 CO 0.03 0.43 0.00 -1.14 -0.13 0.00 0.00 178.44 177.63 3kiw n ARG 45 N -4.56 0.00 -0.34 1.25 0.63 -0.59 -1.31 116.66 111.74 3kiw n ARG 45 Ca 0.17 0.61 -0.03 0.00 -0.92 0.00 0.00 57.85 57.68 3kiw n ARG 45 Cb 0.37 -0.98 0.10 0.00 0.45 0.00 0.00 32.46 32.40 3kiw n ARG 45 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kiw h GLY 46 N 0.00 1.29 0.64 5.14 0.00 -1.74 -3.00 103.07 105.39 3kiw h GLY 46 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.91 3kiw h GLY 46 CO 0.00 0.45 0.19 -2.75 0.00 0.00 0.00 176.54 174.43 3kiw h PHE 47 N 1.22 0.34 -0.23 5.60 3.57 -1.29 -2.82 116.94 123.32 3kiw h PHE 47 Ca 0.34 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 3kiw h PHE 47 Cb -0.12 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3kiw h PHE 47 CO -0.01 0.14 -0.01 -0.24 -2.23 0.00 0.00 178.31 175.96 3kiw h VAL 48 N 0.38 1.26 -0.49 1.41 3.04 -1.15 -3.26 116.25 117.44 3kiw h VAL 48 Ca 0.21 -0.92 0.07 0.00 -1.01 0.00 0.00 66.70 65.05 3kiw h VAL 48 Cb 0.18 1.41 -0.10 0.00 -2.01 0.00 0.00 31.29 30.77 3kiw h VAL 48 CO -0.19 0.29 -0.48 0.44 -1.01 0.00 0.00 177.57 176.61 3kiw h ASP 49 N 0.18 -1.62 -1.07 3.17 5.19 -1.37 0.14 116.42 121.05 3kiw h ASP 49 Ca 0.06 0.24 0.29 0.00 -0.62 0.00 0.00 57.03 57.01 3kiw h ASP 49 Cb 0.42 0.70 -0.11 0.00 0.18 0.00 0.00 39.33 40.53 3kiw h ASP 49 CO 0.01 -0.36 0.67 -0.74 -3.12 0.00 0.00 179.24 175.70 3kiw h HIS 50 N -0.30 0.75 -0.20 4.55 2.76 -1.56 0.22 115.15 121.37 3kiw h HIS 50 Ca 0.13 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.15 3kiw h HIS 50 Cb 0.58 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.33 3kiw h HIS 50 CO -0.70 -0.00 -0.59 -0.07 -1.30 0.00 0.00 177.93 175.27 3kiw h LEU 51 N 0.39 0.86 0.76 0.26 4.07 -0.84 -1.90 115.31 118.90 3kiw h LEU 51 Ca 0.65 -0.58 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 3kiw h LEU 51 Cb 1.61 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 43.10 3kiw h LEU 51 CO -0.39 1.29 -0.36 0.40 -1.08 0.00 0.00 178.44 178.30 3kiw h ILE 52 N 0.47 0.00 -0.92 1.22 1.08 0.44 0.05 117.51 119.86 3kiw h ILE 52 Ca -0.02 -0.05 0.27 0.00 -0.39 0.00 0.00 64.86 64.67 3kiw h ILE 52 Cb 1.21 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 3kiw h ILE 52 CO 0.13 0.00 0.71 -0.74 -0.69 0.00 0.00 178.15 177.56 3kiw h HIS 53 N -1.06 0.00 0.04 1.37 2.76 -0.76 1.17 115.15 118.66 3kiw h HIS 53 Ca -0.10 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.84 3kiw h HIS 53 Cb 0.78 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 3kiw h HIS 53 CO 0.05 0.00 -1.02 1.25 -1.30 0.00 0.00 177.93 176.91 3kiw h LEU 54 N 0.00 0.24 -1.07 0.26 5.85 -0.88 -2.90 115.31 116.80 3kiw h LEU 54 Ca 0.44 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3kiw h LEU 54 Cb 1.86 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3kiw h LEU 54 CO -0.00 1.11 -0.20 0.00 -0.34 0.00 0.00 178.44 179.00 3kiw h ALA 55 N 0.86 1.00 0.07 1.25 0.00 0.33 -3.03 119.26 119.74 3kiw h ALA 55 Ca -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kiw h ALA 55 Cb 1.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3kiw h ALA 55 CO 0.15 0.25 -0.03 0.87 0.00 0.00 0.00 179.25 180.49 3kiw h LYS 56 N 0.00 -0.09 -2.03 0.00 1.57 -0.63 -2.55 116.57 112.84 3kiw h LYS 56 Ca -0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3kiw h LYS 56 Cb 0.75 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3kiw h LYS 56 CO 0.03 0.17 -0.04 2.89 -0.57 0.00 0.00 179.45 181.92 3kiw n ARG 57 N -5.01 0.97 0.00 3.15 1.85 -1.15 -4.82 116.66 111.65 3kiw n ARG 57 Ca -0.08 -0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 3kiw n ARG 57 Cb 0.17 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 3kiw n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kiw n GLY 58 N 1.78 0.00 3.44 2.89 0.00 -0.96 -4.81 105.19 107.53 3kiw n GLY 58 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3kiw n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kiw n ASP 59 N 0.00 -1.35 -0.20 1.61 5.68 -1.26 -4.66 116.55 116.37 3kiw n ASP 59 Ca 0.00 0.70 -0.01 0.00 -0.50 0.00 0.00 54.79 54.98 3kiw n ASP 59 Cb 0.00 -1.14 0.06 0.00 -1.14 0.00 0.00 41.12 38.89 3kiw n ASP 59 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3kiw h LEU 60 N 0.12 -0.56 -0.62 -2.12 5.85 -2.00 -0.77 115.31 115.21 3kiw h LEU 60 Ca -0.45 0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.58 3kiw h LEU 60 Cb 1.40 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 42.69 3kiw h LEU 60 CO 0.46 -0.20 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.56 3kiw h HIS 61 N -0.00 -0.16 -0.84 1.25 2.76 -1.95 0.12 115.15 116.34 3kiw h HIS 61 Ca 0.29 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.52 3kiw h HIS 61 Cb 0.44 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 3kiw h HIS 61 CO -0.49 -0.21 0.55 0.00 -1.30 0.00 0.00 177.93 176.47 3kiw h ALA 62 N 1.59 1.08 -0.49 5.26 0.00 -1.47 -0.11 119.26 125.12 3kiw h ALA 62 Ca 0.31 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3kiw h ALA 62 Cb 0.50 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3kiw h ALA 62 CO -0.57 0.43 0.10 -0.09 0.00 0.00 0.00 179.25 179.12 3kiw h ARG 63 N 1.10 0.24 0.00 0.00 2.43 -0.29 0.39 114.38 118.25 3kiw h ARG 63 Ca 0.32 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3kiw h ARG 63 Cb -0.08 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3kiw h ARG 63 CO -0.09 0.16 -0.19 0.00 -1.51 0.00 0.00 179.97 178.34 3kiw h ARG 64 N 0.24 0.00 -0.00 0.20 3.08 0.16 -0.20 114.38 117.86 3kiw h ARG 64 Ca 0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 3kiw h ARG 64 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kiw h ARG 64 CO -0.31 0.19 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.40 3kiw h LEU 65 N 0.00 0.27 -1.06 3.04 4.07 0.13 -3.12 115.31 118.65 3kiw h LEU 65 Ca -0.00 -0.78 -0.04 0.00 0.08 0.00 0.00 57.88 57.14 3kiw h LEU 65 Cb 0.37 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3kiw h LEU 65 CO 0.02 1.02 -0.21 0.58 -1.08 0.00 0.00 178.44 178.77 3kiw h VAL 66 N -0.44 0.51 0.00 1.22 2.07 -0.44 -2.26 116.25 116.90 3kiw h VAL 66 Ca -0.04 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3kiw h VAL 66 Cb 1.06 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3kiw h VAL 66 CO 0.06 0.21 -0.07 0.25 0.02 0.00 0.00 177.57 178.04 3kiw h LEU 67 N 0.00 0.00 -0.05 2.57 7.12 -1.00 -2.28 115.31 121.67 3kiw h LEU 67 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3kiw h LEU 67 Cb 0.76 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.89 3kiw h LEU 67 CO 0.03 0.07 0.00 0.03 -0.13 0.00 0.00 178.44 178.43 3kiw h ARG 68 N 0.00 0.08 0.03 1.25 3.08 -1.34 -3.35 114.38 114.12 3kiw h ARG 68 Ca -0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3kiw h ARG 68 Cb 0.37 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3kiw h ARG 68 CO 0.01 0.36 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.62 3kiw h ASP 69 N -0.21 0.13 -3.15 7.04 5.19 -1.65 -3.42 116.42 120.35 3kiw h ASP 69 Ca 0.01 -0.93 -0.59 0.00 -0.62 0.00 0.00 57.03 54.90 3kiw h ASP 69 Cb 0.32 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.74 3kiw h ASP 69 CO 0.00 1.05 -0.14 -0.76 -3.12 0.00 0.00 179.24 176.28 3kiw s LEU 70 N -8.24 4.44 -0.01 1.55 1.43 -0.88 -4.85 118.68 112.12 3kiw s LEU 70 Ca -0.17 1.01 0.14 0.00 -1.03 0.00 0.00 54.13 54.08 3kiw s LEU 70 Cb -0.01 -2.70 -0.18 0.00 0.03 0.00 0.00 46.19 43.33 3kiw s LEU 70 CO 0.73 0.23 0.46 1.67 0.23 0.00 0.00 176.35 179.68 3kiw n GLN 71 N 2.23 1.67 -2.24 1.70 -0.06 -1.26 -4.20 117.38 115.23 3kiw n GLN 71 Ca -0.11 -0.05 -0.41 0.00 -2.00 0.00 0.00 57.00 54.43 3kiw n GLN 71 Cb 0.52 -1.22 -0.03 0.00 -4.06 0.00 0.00 30.24 25.45 3kiw n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kiw s ASP 72 N -2.82 5.83 0.24 1.69 3.68 -1.26 -4.85 116.67 119.19 3kiw s ASP 72 Ca 0.01 0.40 -0.06 0.00 2.13 0.00 0.00 52.55 55.03 3kiw s ASP 72 Cb 0.10 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.48 3kiw s ASP 72 CO 0.56 -1.92 1.67 0.58 0.13 0.00 0.00 175.17 176.19 3kiw h VAL 73 N 6.57 0.45 0.16 1.11 2.07 -1.96 0.19 116.25 124.85 3kiw h VAL 73 Ca -0.28 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3kiw h VAL 73 Cb 1.12 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3kiw h VAL 73 CO 1.18 0.04 -0.45 0.50 0.02 0.00 0.00 177.57 178.85 3kiw h LYS 74 N 0.20 -0.66 -0.72 1.57 1.63 -2.01 -2.13 116.57 114.45 3kiw h LYS 74 Ca 0.41 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.31 3kiw h LYS 74 Cb 0.72 0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.46 3kiw h LYS 74 CO -0.56 -0.44 0.48 1.25 -3.45 0.00 0.00 179.45 176.72 3kiw h LEU 75 N -0.69 0.70 -0.97 5.20 7.12 -1.52 -1.64 115.31 123.51 3kiw h LEU 75 Ca -0.01 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 3kiw h LEU 75 Cb 0.67 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.61 3kiw h LEU 75 CO -0.21 0.46 0.43 1.62 -0.13 0.00 0.00 178.44 180.61 3kiw h VAL 76 N 0.80 1.25 0.92 1.05 3.04 -0.27 -1.43 116.25 121.61 3kiw h VAL 76 Ca 0.30 -0.64 -0.04 0.00 -1.01 0.00 0.00 66.70 65.31 3kiw h VAL 76 Cb 0.18 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 3kiw h VAL 76 CO -0.10 0.28 -0.49 0.03 -1.01 0.00 0.00 177.57 176.29 3kiw h ARG 77 N 1.16 -1.25 -1.45 4.17 3.08 -0.65 0.21 114.38 119.65 3kiw h ARG 77 Ca 0.29 0.09 0.43 0.00 0.07 0.00 0.00 59.98 60.85 3kiw h ARG 77 Cb 0.06 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 3kiw h ARG 77 CO -0.04 -0.83 1.01 -0.22 -1.07 0.00 0.00 179.97 178.81 3kiw h LYS 78 N -1.30 0.06 0.33 0.04 3.64 -1.28 0.49 116.57 118.56 3kiw h LYS 78 Ca -0.13 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3kiw h LYS 78 Cb 1.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3kiw h LYS 78 CO 0.17 0.04 -0.16 1.25 -2.27 0.00 0.00 179.45 178.49 3kiw h LEU 79 N 0.06 -0.38 0.16 5.20 6.46 -0.13 -2.03 115.31 124.66 3kiw h LEU 79 Ca 0.75 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.54 3kiw h LEU 79 Cb 2.73 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 42.72 3kiw h LEU 79 CO -0.15 -0.13 -0.36 -0.26 -0.62 0.00 0.00 178.44 176.93 3kiw h PHE 80 N -0.73 -0.98 -0.23 1.25 0.04 0.13 0.30 116.94 116.71 3kiw h PHE 80 Ca -0.05 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3kiw h PHE 80 Cb 0.34 0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 3kiw h PHE 80 CO 0.05 -0.47 0.07 -0.25 -0.60 0.00 0.00 178.31 177.11 3kiw n ASP 81 N -5.44 2.77 0.17 2.17 8.00 0.14 -4.05 116.55 120.31 3kiw n ASP 81 Ca -0.07 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.05 3kiw n ASP 81 Cb 0.35 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3kiw n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kiw n GLU 82 N 0.12 0.00 0.36 -1.24 1.02 -1.16 -4.94 120.64 114.80 3kiw n GLU 82 Ca 0.12 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.08 3kiw n GLU 82 Cb 0.67 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 32.00 3kiw n GLU 82 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kiw h ILE 83 N 0.00 0.14 0.09 -3.67 1.08 -0.51 -3.26 117.51 111.37 3kiw h ILE 83 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3kiw h ILE 83 Cb 0.00 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.84 3kiw h ILE 83 CO 0.00 0.00 -0.51 0.00 -0.69 0.00 0.00 178.15 176.95 3kiw h ALA 84 N -0.80 -0.97 -0.67 1.87 0.00 -0.60 -3.14 119.26 114.95 3kiw h ALA 84 Ca -0.08 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kiw h ALA 84 Cb 0.84 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 3kiw h ALA 84 CO 0.06 -1.11 -0.39 -2.30 0.00 0.00 0.00 179.25 175.51 3kiw n PRO 85 N -5.36 -0.29 0.00 0.00 -0.02 -1.24 -0.33 135.00 127.76 3kiw n PRO 85 Ca -0.08 1.15 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3kiw n PRO 85 Cb 0.39 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3kiw n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kiw n ARG 86 N -4.63 0.00 -0.00 -0.52 1.74 -1.19 0.84 116.66 112.91 3kiw n ARG 86 Ca 0.01 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3kiw n ARG 86 Cb 0.17 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3kiw n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kiw n TYR 87 N -1.19 0.00 -0.34 -1.55 4.01 0.55 -4.75 117.16 113.88 3kiw n TYR 87 Ca 0.00 -0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.00 3kiw n TYR 87 Cb 0.25 -0.00 0.50 0.00 -0.31 0.00 0.00 39.34 39.79 3kiw n TYR 87 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kiw h ARG 88 N 0.12 0.28 0.00 -0.72 1.12 0.69 0.37 114.38 116.23 3kiw h ARG 88 Ca 0.00 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 3kiw h ARG 88 Cb 0.03 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 3kiw h ARG 88 CO 0.00 0.18 -0.94 -0.44 -3.11 0.00 0.00 179.97 175.66 3kiw h ASP 89 N 0.28 0.00 -3.63 -3.80 3.32 -1.86 -3.46 116.42 107.28 3kiw h ASP 89 Ca 0.74 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 57.28 3kiw h ASP 89 Cb 1.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.32 3kiw h ASP 89 CO -0.58 0.09 0.33 -0.60 -1.72 0.00 0.00 179.24 176.76 3kiw s ARG 90 N -3.28 4.74 -0.52 3.56 3.52 0.13 -5.02 118.95 122.07 3kiw s ARG 90 Ca 0.00 1.42 -0.06 0.00 -0.13 0.00 0.00 55.73 56.97 3kiw s ARG 90 Cb 0.09 -3.33 0.14 0.00 -1.56 0.00 0.00 34.95 30.29 3kiw s ARG 90 CO 0.78 0.37 0.36 -1.14 -0.81 0.00 0.00 175.30 174.86 3kiw s GLN 91 N -0.56 2.43 0.24 5.12 0.74 -1.26 -4.94 119.66 121.43 3kiw s GLN 91 Ca 0.43 -2.06 0.00 0.00 0.05 0.00 0.00 55.36 53.78 3kiw s GLN 91 Cb -0.24 -3.80 0.00 0.00 1.10 0.00 0.00 33.01 30.07 3kiw s GLN 91 CO 0.30 -1.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.29 3kiw n GLY 92 N 4.32 -3.66 0.42 2.59 0.00 -1.26 -5.01 105.19 102.59 3kiw n GLY 92 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3kiw n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiw n GLY 93 N -1.15 0.57 2.18 -0.02 0.00 -1.26 -5.00 105.19 100.51 3kiw n GLY 93 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 3kiw n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kiw n TYR 94 N -0.42 2.93 -3.68 1.61 0.53 -1.26 -4.92 117.16 111.95 3kiw n TYR 94 Ca 0.00 -2.00 -0.14 0.00 -1.02 0.00 0.00 57.90 54.74 3kiw n TYR 94 Cb 0.19 -1.01 -0.08 0.00 -1.03 0.00 0.00 39.34 37.41 3kiw n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3kiw s THR 95 N -3.39 0.01 0.21 -0.72 -1.32 -1.26 -4.21 115.64 104.95 3kiw s THR 95 Ca 0.55 -0.07 0.10 0.00 -1.21 0.00 0.00 61.69 61.06 3kiw s THR 95 Cb 0.46 -0.75 -0.05 0.00 -1.51 0.00 0.00 72.50 70.65 3kiw s THR 95 CO 0.08 -0.04 -0.19 -0.60 -2.21 0.00 0.00 174.62 171.66 3kiw s ARG 96 N -0.14 1.45 -0.06 7.08 3.52 0.11 -4.85 118.95 126.05 3kiw s ARG 96 Ca -0.03 -1.57 -0.02 0.00 -0.13 0.00 0.00 55.73 53.97 3kiw s ARG 96 Cb -0.03 -1.51 0.03 0.00 -1.56 0.00 0.00 34.95 31.88 3kiw s ARG 96 CO 0.02 0.29 0.04 0.14 -0.81 0.00 0.00 175.30 174.99 3kiw s VAL 97 N -2.30 0.06 -0.04 7.11 -7.23 -1.26 -1.24 120.40 115.51 3kiw s VAL 97 Ca 0.22 0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.68 3kiw s VAL 97 Cb -0.05 -0.32 0.02 0.00 0.56 0.00 0.00 36.38 36.59 3kiw s VAL 97 CO 0.10 0.17 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.25 3kiw s LEU 98 N 2.10 1.35 -0.33 1.32 1.43 -0.78 -4.95 118.68 118.81 3kiw s LEU 98 Ca 0.05 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 3kiw s LEU 98 Cb -0.12 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.67 3kiw s LEU 98 CO -0.04 -0.05 0.77 -1.59 0.23 0.00 0.00 176.35 175.67 3kiw s LYS 99 N 0.88 3.88 0.46 1.70 0.00 -1.26 -0.13 119.74 125.25 3kiw s LYS 99 Ca -0.12 0.46 -0.17 0.00 0.00 0.00 0.00 55.97 56.14 3kiw s LYS 99 Cb -0.14 -3.76 -0.09 0.00 0.00 0.00 0.00 37.83 33.84 3kiw s LYS 99 CO 0.00 -0.74 0.92 -0.48 0.00 0.00 0.00 175.35 175.06 3kiw s LEU 100 N 2.99 3.79 0.59 2.77 -0.00 -0.73 -4.93 118.68 123.16 3kiw s LEU 100 Ca 0.31 1.53 -0.16 0.00 -0.00 0.00 0.00 54.13 55.82 3kiw s LEU 100 Cb -0.14 -4.42 -0.04 0.00 -0.00 0.00 0.00 46.19 41.59 3kiw s LEU 100 CO 0.14 -0.45 1.04 0.00 -0.00 0.00 0.00 176.35 177.08 3kiw s ALA 101 N -2.39 2.80 0.00 1.48 0.00 -1.26 -4.48 121.76 117.91 3kiw s ALA 101 Ca 0.59 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3kiw s ALA 101 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3kiw s ALA 101 CO 0.24 -0.73 0.00 0.39 0.00 0.00 0.00 175.76 175.66 3kiw n GLU 102 N -2.02 0.00 -3.19 0.00 1.02 -1.26 -5.00 120.64 110.19 3kiw n GLU 102 Ca 0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 3kiw n GLU 102 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.99 3kiw n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kiw s ARG 103 N -4.83 2.35 -0.12 3.49 0.52 -1.26 -4.28 118.95 114.83 3kiw s ARG 103 Ca 0.00 -1.67 -0.23 0.00 -0.52 0.00 0.00 55.73 53.31 3kiw s ARG 103 Cb 0.00 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 3kiw s ARG 103 CO 0.00 -0.75 0.70 1.03 0.02 0.00 0.00 175.30 176.30 3kiw s ARG 104 N -4.56 4.36 -1.26 3.54 0.52 -1.10 -4.91 118.95 115.53 3kiw s ARG 104 Ca 0.56 0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 56.41 3kiw s ARG 104 Cb -0.05 -3.50 0.01 0.00 0.52 0.00 0.00 34.95 31.93 3kiw s ARG 104 CO 0.35 -0.08 1.81 1.03 0.02 0.00 0.00 175.30 178.43 3kiw s ARG 105 N 1.31 3.46 0.00 3.54 0.52 -1.26 -1.68 118.95 124.84 3kiw s ARG 105 Ca 0.35 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 3kiw s ARG 105 Cb -0.17 -5.44 0.00 0.00 0.52 0.00 0.00 34.95 29.86 3kiw s ARG 105 CO 0.15 -2.88 0.00 0.41 0.02 0.00 0.00 175.30 173.00 3kiw n GLY 106 N 5.54 0.00 0.00 -3.53 0.00 -1.26 -4.95 105.19 100.99 3kiw n GLY 106 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3kiw n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kiw n ASP 107 N -0.03 0.00 -3.35 1.61 3.85 -1.15 -5.04 116.55 112.44 3kiw n ASP 107 Ca 0.00 -0.52 -0.17 0.00 -0.71 0.00 0.00 54.79 53.39 3kiw n ASP 107 Cb 0.00 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 39.85 3kiw n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kiw n GLY 108 N 0.00 -0.35 3.79 6.12 0.00 -0.68 -5.00 105.19 109.07 3kiw n GLY 108 Ca 0.00 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3kiw n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiw s ALA 109 N -3.34 3.76 0.39 4.61 0.00 -1.26 -4.85 121.76 121.06 3kiw s ALA 109 Ca 0.10 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 3kiw s ALA 109 Cb -0.04 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 3kiw s ALA 109 CO 0.70 0.33 1.23 -1.25 0.00 0.00 0.00 175.76 176.76 3kiw s PRO 110 N -0.16 4.09 0.11 0.00 0.04 -1.26 -2.71 135.00 135.12 3kiw s PRO 110 Ca 0.11 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.22 3kiw s PRO 110 Cb -0.11 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 3kiw s PRO 110 CO 0.01 -0.33 -0.19 -0.51 0.04 0.00 0.00 177.00 176.01 3kiw s LEU 111 N -2.32 2.33 0.00 -3.56 1.43 -1.26 -3.22 118.68 112.08 3kiw s LEU 111 Ca 0.55 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3kiw s LEU 111 Cb -0.34 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.06 3kiw s LEU 111 CO 0.44 0.01 0.24 0.00 0.23 0.00 0.00 176.35 177.28 3kiw n ALA 112 N 0.94 0.02 -3.00 4.21 0.00 -0.83 -1.77 120.51 120.08 3kiw n ALA 112 Ca -0.18 -1.01 -0.10 0.00 0.00 0.00 0.00 53.44 52.15 3kiw n ALA 112 Cb 0.54 0.82 -0.11 0.00 0.00 0.00 0.00 19.45 20.70 3kiw n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kiw s LEU 113 N 0.00 2.08 -0.28 0.00 2.34 0.81 -2.80 118.68 120.84 3kiw s LEU 113 Ca 0.19 -0.40 -0.03 0.00 0.06 0.00 0.00 54.13 53.96 3kiw s LEU 113 Cb 0.00 0.20 0.03 0.00 -0.56 0.00 0.00 46.19 45.86 3kiw s LEU 113 CO 0.14 -0.29 -0.01 -0.69 -1.06 0.00 0.00 176.35 174.44 3kiw s VAL 114 N -1.31 3.11 0.14 1.48 1.01 0.13 -1.87 120.40 123.09 3kiw s VAL 114 Ca -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.77 3kiw s VAL 114 Cb -0.09 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3kiw s VAL 114 CO -0.00 0.07 0.26 -0.70 0.00 0.00 0.00 175.10 174.72 3kiw s GLU 115 N 1.33 3.38 -0.01 2.72 2.12 -0.37 -1.59 118.70 126.28 3kiw s GLU 115 Ca -0.01 -0.60 0.07 0.00 0.36 0.00 0.00 54.97 54.78 3kiw s GLU 115 Cb -0.18 -2.94 0.22 0.00 0.26 0.00 0.00 34.13 31.49 3kiw s GLU 115 CO -0.02 0.53 1.15 1.28 -0.54 0.00 0.00 175.26 177.66 3kiw n LEU 116 N -0.40 1.42 -1.23 2.70 4.77 -0.69 0.04 117.00 123.61 3kiw n LEU 116 Ca -0.07 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3kiw n LEU 116 Cb 0.54 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3kiw n LEU 116 CO 0.48 0.33 -0.37 0.52 -1.33 0.00 0.00 177.39 177.02 3kiw n VAL 117 N 0.20 -3.35 0.00 4.08 0.31 -1.26 -4.46 118.33 113.85 3kiw n VAL 117 Ca 0.08 1.52 0.00 0.00 -0.01 0.00 0.00 64.34 65.93 3kiw n VAL 117 Cb 0.24 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 3kiw n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72