#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n HIS 3 N 0.00 1.87 -0.37 -1.55 8.25 -1.26 -4.60 115.22 117.56 3kit n HIS 3 Ca 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 3kit n HIS 3 Cb 0.00 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 28.69 3kit n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3kit n LEU 4 N 2.60 -1.18 0.00 2.41 7.94 -1.26 -5.01 117.00 122.50 3kit n LEU 4 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 3kit n LEU 4 Cb 0.26 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.62 3kit n LEU 4 CO 0.62 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.19 3kit n LYS 5 N 1.22 0.00 -4.38 1.96 4.76 -1.26 -5.10 118.16 115.37 3kit n LYS 5 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 3kit n LYS 5 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3kit n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kit s SER 6 N 0.00 3.80 0.45 4.39 1.04 -1.26 -5.16 113.70 116.97 3kit s SER 6 Ca 0.00 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 55.72 3kit s SER 6 Cb 0.00 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 3kit s SER 6 CO 0.00 0.10 0.22 -0.83 0.98 0.00 0.00 173.24 173.71 3kit s GLY 7 N -2.90 2.41 0.00 7.32 0.00 -1.26 -5.00 107.32 107.88 3kit s GLY 7 Ca 0.24 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3kit s GLY 7 CO 0.13 -1.93 0.00 0.54 0.00 0.00 0.00 173.10 171.83 3kit n ARG 8 N -1.38 0.00 -2.19 2.90 5.12 -1.26 -5.10 116.66 114.76 3kit n ARG 8 Ca -0.03 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.54 3kit n ARG 8 Cb 0.65 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.96 3kit n ARG 8 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3kit s LYS 9 N -0.11 3.25 -0.29 5.56 -2.85 -1.26 -5.04 119.74 118.99 3kit s LYS 9 Ca 0.00 1.66 -0.00 0.00 -1.00 0.00 0.00 55.97 56.63 3kit s LYS 9 Cb 0.00 -1.98 0.19 0.00 -2.06 0.00 0.00 37.83 33.98 3kit s LYS 9 CO 0.00 -0.95 0.75 -0.51 0.10 0.00 0.00 175.35 174.75 3kit s LEU 10 N -3.89 -1.20 0.71 2.77 1.43 -1.26 -5.10 118.68 112.13 3kit s LEU 10 Ca 0.74 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.94 3kit s LEU 10 Cb -0.25 1.75 0.10 0.00 0.03 0.00 0.00 46.19 47.82 3kit s LEU 10 CO 0.29 -0.22 0.98 0.21 0.23 0.00 0.00 176.35 177.84 3kit s ASN 11 N 2.85 4.49 0.31 2.29 3.84 -1.26 -4.96 114.94 122.50 3kit s ASN 11 Ca 0.16 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.12 3kit s ASN 11 Cb -0.07 -0.38 0.00 0.00 -0.55 0.00 0.00 41.25 40.25 3kit s ASN 11 CO -0.25 -1.76 0.00 0.54 -2.79 0.00 0.00 177.10 172.85 3kit n ARG 12 N -2.83 -1.69 -2.08 0.43 1.74 -1.26 -4.67 116.66 106.30 3kit n ARG 12 Ca 0.13 1.36 -0.28 0.00 -0.77 0.00 0.00 57.85 58.29 3kit n ARG 12 Cb 0.60 -1.99 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 3kit n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kit s HIS 13 N -3.42 3.09 0.09 -1.55 -3.43 -1.26 -4.71 115.29 104.10 3kit s HIS 13 Ca 0.00 0.72 -0.22 0.00 -0.80 0.00 0.00 55.06 54.76 3kit s HIS 13 Cb 0.00 -3.16 -0.07 0.00 -1.43 0.00 0.00 32.58 27.92 3kit s HIS 13 CO 0.00 -1.34 1.36 0.66 -2.00 0.00 0.00 174.74 173.42 3kit h SER 14 N -0.66 -1.23 -0.79 7.38 4.64 -1.98 0.15 113.55 121.05 3kit h SER 14 Ca -0.45 0.16 0.16 0.00 -0.47 0.00 0.00 61.79 61.19 3kit h SER 14 Cb 1.29 0.51 -0.15 0.00 -0.31 0.00 0.00 62.40 63.74 3kit h SER 14 CO 0.63 -0.26 -0.16 -1.28 -0.87 0.00 0.00 176.83 174.88 3kit h SER 15 N -0.26 -0.68 0.09 4.97 0.87 -2.00 -0.34 113.55 116.20 3kit h SER 15 Ca 0.05 0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3kit h SER 15 Cb 0.39 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3kit h SER 15 CO -0.40 -0.25 -0.04 -0.74 -0.53 0.00 0.00 176.83 174.87 3kit h HIS 16 N 0.01 -0.11 -0.99 2.24 -0.00 -1.81 -2.79 115.15 111.70 3kit h HIS 16 Ca 0.39 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.90 3kit h HIS 16 Cb 0.62 0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 27.98 3kit h HIS 16 CO -0.59 0.26 0.62 -0.09 -0.00 0.00 0.00 177.93 178.12 3kit h ARG 17 N -0.50 0.88 0.17 5.26 2.43 0.11 0.95 114.38 123.68 3kit h ARG 17 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3kit h ARG 17 Cb 0.42 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3kit h ARG 17 CO 0.02 0.58 -0.08 1.25 -1.51 0.00 0.00 179.97 180.23 3kit h LEU 18 N 0.91 -0.19 -1.21 3.80 6.46 -1.09 -2.49 115.31 121.49 3kit h LEU 18 Ca 0.51 -0.17 0.19 0.00 -0.12 0.00 0.00 57.88 58.29 3kit h LEU 18 Cb 0.61 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.51 3kit h LEU 18 CO -0.28 0.06 0.61 0.00 -0.62 0.00 0.00 178.44 178.20 3kit h ALA 19 N 0.34 1.87 0.57 1.25 0.00 -0.98 -1.13 119.26 121.18 3kit h ALA 19 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kit h ALA 19 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kit h ALA 19 CO 0.04 -0.19 -0.47 1.25 0.00 0.00 0.00 179.25 179.88 3kit h LEU 20 N 0.65 -1.26 -0.59 0.00 5.85 -0.43 0.38 115.31 119.91 3kit h LEU 20 Ca 0.52 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.45 3kit h LEU 20 Cb 0.95 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 42.29 3kit h LEU 20 CO -0.28 -0.66 0.03 1.88 -0.34 0.00 0.00 178.44 179.07 3kit h TYR 21 N -1.02 0.02 0.74 1.25 0.99 -0.92 -0.33 116.97 117.71 3kit h TYR 21 Ca -0.07 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 3kit h TYR 21 Cb 0.85 0.08 0.01 0.00 1.00 0.00 0.00 36.73 38.67 3kit h TYR 21 CO -0.19 -0.13 -0.36 0.00 -0.00 0.00 0.00 178.16 177.48 3kit h ARG 22 N 0.15 -0.97 -0.62 4.88 3.08 -0.99 0.21 114.38 120.12 3kit h ARG 22 Ca 0.31 0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.60 3kit h ARG 22 Cb 0.49 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3kit h ARG 22 CO -0.48 -0.65 0.44 -0.91 -1.07 0.00 0.00 179.97 177.31 3kit h ASN 23 N -1.01 0.06 0.03 7.04 -0.26 -0.55 0.20 115.58 121.10 3kit h ASN 23 Ca -0.10 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3kit h ASN 23 Cb 0.78 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 3kit h ASN 23 CO 0.16 0.03 -0.01 1.56 -1.06 0.00 0.00 177.43 178.11 3kit h GLN 24 N 0.07 -0.04 -0.51 0.81 4.20 -0.73 -2.86 115.11 116.05 3kit h GLN 24 Ca 0.30 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.11 3kit h GLN 24 Cb 1.10 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 3kit h GLN 24 CO -0.02 0.66 -0.05 0.00 -0.67 0.00 0.00 178.83 178.75 3kit h ALA 25 N -0.03 0.43 -0.58 3.87 0.00 0.66 0.30 119.26 123.91 3kit h ALA 25 Ca -0.00 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3kit h ALA 25 Cb 0.72 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3kit h ALA 25 CO 0.01 -0.41 0.10 0.87 0.00 0.00 0.00 179.25 179.82 3kit h LYS 26 N 0.07 0.22 0.19 0.00 1.57 -0.74 0.14 116.57 118.03 3kit h LYS 26 Ca 0.25 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3kit h LYS 26 Cb 0.39 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kit h LYS 26 CO -0.46 0.15 -0.09 0.77 -0.57 0.00 0.00 179.45 179.24 3kit h SER 27 N 0.23 -0.22 -0.01 0.86 0.02 -0.62 -2.74 113.55 111.07 3kit h SER 27 Ca 0.30 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3kit h SER 27 Cb 0.45 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 3kit h SER 27 CO -0.41 -0.05 0.01 0.25 -1.14 0.00 0.00 176.83 175.49 3kit h LEU 28 N -0.39 0.00 -3.60 5.07 6.46 -0.03 0.30 115.31 123.13 3kit h LEU 28 Ca -0.03 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.57 3kit h LEU 28 Cb 0.30 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.13 3kit h LEU 28 CO 0.04 0.00 0.20 0.18 -0.62 0.00 0.00 178.44 178.25 3kit n LEU 29 N -3.88 5.88 0.00 2.25 4.32 -0.01 -1.62 117.00 123.94 3kit n LEU 29 Ca -0.03 -3.04 0.00 0.00 -0.02 0.00 0.00 56.01 52.92 3kit n LEU 29 Cb 0.09 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 3kit n LEU 29 CO 0.28 0.74 -0.24 0.41 -1.22 0.00 0.00 177.39 177.36 3kit n THR 30 N 0.06 0.00 0.29 -5.08 -1.04 -0.03 -4.80 114.28 103.68 3kit n THR 30 Ca 0.36 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.41 3kit n THR 30 Cb 1.31 -0.41 -0.04 0.00 -1.82 0.00 0.00 70.33 69.37 3kit n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kit n HIS 31 N -1.46 0.00 0.00 -1.42 8.25 -0.48 -5.00 115.22 115.11 3kit n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kit n HIS 31 Cb 0.24 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3kit n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kit n GLY 32 N 1.24 1.41 2.86 -1.41 0.00 -0.64 -4.83 105.19 103.81 3kit n GLY 32 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3kit n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kit s ARG 33 N 0.00 1.08 0.16 1.61 3.00 -1.26 -1.44 118.95 122.11 3kit s ARG 33 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 55.73 55.74 3kit s ARG 33 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 34.95 33.68 3kit s ARG 33 CO 0.00 -0.24 -0.24 0.42 0.00 0.00 0.00 175.30 175.25 3kit s ILE 34 N 1.64 2.19 -0.19 1.52 -1.09 -0.01 -4.96 121.20 120.30 3kit s ILE 34 Ca 0.02 -1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 56.54 3kit s ILE 34 Cb -0.13 -2.00 0.05 0.00 -1.58 0.00 0.00 42.46 38.80 3kit s ILE 34 CO -0.05 -0.08 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.65 3kit s THR 35 N -1.50 1.15 0.00 2.92 2.01 -1.26 -0.04 115.64 118.92 3kit s THR 35 Ca 0.17 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.38 3kit s THR 35 Cb -0.08 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3kit s THR 35 CO 0.08 0.02 0.00 0.35 -0.69 0.00 0.00 174.62 174.38 3kit n THR 36 N 4.84 0.00 -3.02 -0.82 -2.24 -0.68 -4.96 114.28 107.40 3kit n THR 36 Ca -0.12 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.32 3kit n THR 36 Cb 0.47 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3kit n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kit s THR 37 N 0.34 4.53 0.10 4.28 -4.23 -1.26 -0.88 115.64 118.52 3kit s THR 37 Ca 0.00 1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 61.52 3kit s THR 37 Cb 0.00 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.05 3kit s THR 37 CO 0.00 -0.08 1.40 0.58 -0.54 0.00 0.00 174.62 175.98 3kit h VAL 38 N 2.22 0.00 -0.27 2.29 2.07 -1.72 -1.10 116.25 119.72 3kit h VAL 38 Ca -0.48 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3kit h VAL 38 Cb 1.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3kit h VAL 38 CO 0.64 0.00 -0.16 -0.65 0.02 0.00 0.00 177.57 177.42 3kit h PRO 39 N -0.23 -0.13 -0.80 1.57 0.11 -1.94 0.49 132.00 131.08 3kit h PRO 39 Ca 0.07 0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.35 3kit h PRO 39 Cb 0.40 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 3kit h PRO 39 CO -0.49 -0.08 0.53 0.87 -0.21 0.00 0.00 178.00 178.62 3kit h LYS 40 N -0.13 0.42 0.27 1.05 1.57 -1.84 -1.70 116.57 116.21 3kit h LYS 40 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3kit h LYS 40 Cb 0.35 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kit h LYS 40 CO -0.36 0.27 -0.13 0.00 -0.57 0.00 0.00 179.45 178.67 3kit h ALA 41 N 1.63 -0.43 -1.62 3.86 0.00 0.11 -2.05 119.26 120.77 3kit h ALA 41 Ca 0.40 -0.08 0.47 0.00 0.00 0.00 0.00 54.91 55.70 3kit h ALA 41 Cb 0.92 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3kit h ALA 41 CO -0.14 -0.41 1.15 0.87 0.00 0.00 0.00 179.25 180.73 3kit h LYS 42 N -0.91 0.01 0.00 0.00 1.57 -0.62 0.54 116.57 117.17 3kit h LYS 42 Ca -0.04 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kit h LYS 42 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3kit h LYS 42 CO 0.06 0.01 -0.01 1.49 -0.57 0.00 0.00 179.45 180.44 3kit h GLU 43 N 0.02 0.00 -0.89 3.15 4.57 -1.36 -3.30 114.58 116.77 3kit h GLU 43 Ca 0.79 -0.00 0.25 0.00 -1.18 0.00 0.00 59.36 59.21 3kit h GLU 43 Cb 3.08 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 31.63 3kit h GLU 43 CO -0.05 1.00 0.63 1.25 -1.18 0.00 0.00 179.01 180.66 3kit h LEU 44 N -0.99 0.09 0.00 1.64 7.12 0.77 -3.21 115.31 120.72 3kit h LEU 44 Ca -0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 3kit h LEU 44 Cb 1.00 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 3kit h LEU 44 CO 0.00 0.03 0.00 -1.14 -0.13 0.00 0.00 178.44 177.20 3kit n ARG 45 N -4.33 0.00 0.14 1.25 0.63 -0.20 -1.61 116.66 112.54 3kit n ARG 45 Ca 0.19 0.10 0.16 0.00 -0.92 0.00 0.00 57.85 57.37 3kit n ARG 45 Cb 0.91 -0.62 0.50 0.00 0.45 0.00 0.00 32.46 33.70 3kit n ARG 45 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kit h GLY 46 N 0.00 0.00 1.12 5.14 0.00 -1.75 -0.13 103.07 107.45 3kit h GLY 46 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3kit h GLY 46 CO 0.00 0.00 -0.89 -2.75 0.00 0.00 0.00 176.54 172.90 3kit h PHE 47 N 0.00 0.98 -0.04 5.60 3.57 -1.52 -3.01 116.94 122.52 3kit h PHE 47 Ca 0.17 -0.50 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 3kit h PHE 47 Cb 1.66 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.28 3kit h PHE 47 CO 0.00 1.34 -0.03 0.28 -2.23 0.00 0.00 178.31 177.66 3kit h VAL 48 N 0.34 1.36 -0.60 1.41 2.07 -0.04 -3.23 116.25 117.57 3kit h VAL 48 Ca -0.10 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.35 3kit h VAL 48 Cb 1.55 2.04 -0.08 0.00 -1.52 0.00 0.00 31.29 33.28 3kit h VAL 48 CO 0.18 0.30 -0.44 0.44 0.02 0.00 0.00 177.57 178.07 3kit h ASP 49 N -0.35 -1.58 -0.99 0.57 5.19 -1.54 0.39 116.42 118.12 3kit h ASP 49 Ca 0.01 0.23 0.34 0.00 -0.62 0.00 0.00 57.03 56.98 3kit h ASP 49 Cb 0.51 0.68 -0.16 0.00 0.18 0.00 0.00 39.33 40.54 3kit h ASP 49 CO 0.01 -0.22 0.48 -0.74 -3.12 0.00 0.00 179.24 175.65 3kit h HIS 50 N -0.11 0.77 -0.21 4.55 2.76 -1.56 0.26 115.15 121.60 3kit h HIS 50 Ca 0.10 0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 58.12 3kit h HIS 50 Cb 0.37 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3kit h HIS 50 CO -0.90 -0.29 -0.60 -0.07 -1.30 0.00 0.00 177.93 174.78 3kit h LEU 51 N 0.19 0.89 0.84 0.26 4.07 -0.33 -0.90 115.31 120.33 3kit h LEU 51 Ca 0.74 -0.58 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 3kit h LEU 51 Cb 1.75 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 43.23 3kit h LEU 51 CO -0.68 1.31 -0.46 0.40 -1.08 0.00 0.00 178.44 177.93 3kit h ILE 52 N 0.52 0.00 -0.89 1.22 1.08 0.13 -1.54 117.51 118.03 3kit h ILE 52 Ca -0.01 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.62 3kit h ILE 52 Cb 1.22 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 3kit h ILE 52 CO 0.13 0.00 0.58 -0.74 -0.69 0.00 0.00 178.15 177.43 3kit h HIS 53 N -1.20 0.74 0.00 1.37 2.76 -0.92 0.56 115.15 118.46 3kit h HIS 53 Ca -0.11 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 3kit h HIS 53 Cb 0.94 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3kit h HIS 53 CO -0.04 0.24 -0.18 1.25 -1.30 0.00 0.00 177.93 177.89 3kit h LEU 54 N 0.60 0.00 -0.28 0.26 5.85 -0.81 -2.29 115.31 118.64 3kit h LEU 54 Ca 0.46 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.98 3kit h LEU 54 Cb 0.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3kit h LEU 54 CO -0.21 0.18 -0.87 0.00 -0.34 0.00 0.00 178.44 177.20 3kit h ALA 55 N 1.82 0.51 0.28 1.25 0.00 0.11 -3.34 119.26 119.88 3kit h ALA 55 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 3kit h ALA 55 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kit h ALA 55 CO 0.02 0.88 -0.37 0.87 0.00 0.00 0.00 179.25 180.66 3kit h LYS 56 N 0.14 -0.64 -3.01 0.00 1.57 -0.84 -1.31 116.57 112.47 3kit h LYS 56 Ca -0.05 0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3kit h LYS 56 Cb 1.49 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 3kit h LYS 56 CO 0.14 -0.43 1.81 2.89 -0.57 0.00 0.00 179.45 183.29 3kit n ARG 57 N -4.59 1.97 0.00 3.15 1.85 -1.23 -4.79 116.66 113.03 3kit n ARG 57 Ca -0.08 -1.25 0.00 0.00 -1.00 0.00 0.00 57.85 55.52 3kit n ARG 57 Cb 0.32 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.46 3kit n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kit n GLY 58 N 3.36 0.14 3.60 2.89 0.00 -0.50 -4.75 105.19 109.93 3kit n GLY 58 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 3kit n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kit s ASP 59 N 0.79 0.94 0.05 1.61 3.84 -1.26 -4.81 116.67 117.82 3kit s ASP 59 Ca 0.00 0.62 -0.24 0.00 -0.00 0.00 0.00 52.55 52.93 3kit s ASP 59 Cb 0.00 -0.86 -0.17 0.00 -1.38 0.00 0.00 42.92 40.51 3kit s ASP 59 CO 0.00 -4.11 1.56 0.25 -0.00 0.00 0.00 175.17 172.86 3kit h LEU 60 N -2.57 -0.04 -0.74 2.11 5.85 -2.00 -2.80 115.31 115.11 3kit h LEU 60 Ca -0.45 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.27 3kit h LEU 60 Cb 1.29 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.21 3kit h LEU 60 CO 0.34 0.14 0.05 -0.74 -0.34 0.00 0.00 178.44 177.89 3kit h HIS 61 N -0.23 0.04 -0.95 1.25 2.76 -1.95 0.13 115.15 116.20 3kit h HIS 61 Ca -0.01 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3kit h HIS 61 Cb 0.21 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.21 3kit h HIS 61 CO -0.02 -0.20 0.62 0.00 -1.30 0.00 0.00 177.93 177.04 3kit h ALA 62 N 1.67 1.25 0.66 5.26 0.00 -1.82 -0.25 119.26 126.02 3kit h ALA 62 Ca 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3kit h ALA 62 Cb 0.72 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kit h ALA 62 CO -0.61 0.52 -0.42 -0.09 0.00 0.00 0.00 179.25 178.65 3kit h ARG 63 N 1.22 -0.98 -0.79 0.00 2.43 -0.54 0.03 114.38 115.76 3kit h ARG 63 Ca 0.37 0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.84 3kit h ARG 63 Cb -0.03 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3kit h ARG 63 CO -0.11 -0.65 0.63 0.00 -1.51 0.00 0.00 179.97 178.33 3kit h ARG 64 N -1.01 0.00 0.18 0.20 3.08 -0.92 0.21 114.38 116.12 3kit h ARG 64 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3kit h ARG 64 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3kit h ARG 64 CO 0.08 0.00 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.83 3kit h LEU 65 N 0.00 -0.20 -1.94 3.04 4.07 -0.24 -3.17 115.31 116.87 3kit h LEU 65 Ca 0.37 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 58.08 3kit h LEU 65 Cb 1.64 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.42 3kit h LEU 65 CO -0.00 0.35 0.08 0.58 -1.08 0.00 0.00 178.44 178.37 3kit h VAL 66 N -0.95 0.99 -0.44 1.22 2.07 -0.22 -0.61 116.25 118.30 3kit h VAL 66 Ca -0.02 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3kit h VAL 66 Cb 0.46 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3kit h VAL 66 CO 0.04 0.02 0.31 0.25 0.02 0.00 0.00 177.57 178.20 3kit h LEU 67 N 0.09 0.12 -0.76 2.57 7.12 -0.59 -1.89 115.31 121.96 3kit h LEU 67 Ca 0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.07 3kit h LEU 67 Cb 0.10 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.17 3kit h LEU 67 CO -0.01 0.07 0.48 0.03 -0.13 0.00 0.00 178.44 178.89 3kit h ARG 68 N 0.13 1.01 0.00 1.25 3.08 -1.08 -3.34 114.38 115.44 3kit h ARG 68 Ca 0.21 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 3kit h ARG 68 Cb 0.64 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3kit h ARG 68 CO -0.03 0.69 -0.80 -0.44 -1.07 0.00 0.00 179.97 178.33 3kit h ASP 69 N 1.03 0.00 -3.68 7.04 5.19 -1.50 -3.45 116.42 121.05 3kit h ASP 69 Ca 0.27 -0.58 -0.50 0.00 -0.62 0.00 0.00 57.03 55.61 3kit h ASP 69 Cb -0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.43 3kit h ASP 69 CO -0.06 1.26 0.10 -0.76 -3.12 0.00 0.00 179.24 176.66 3kit s LEU 70 N -8.02 3.87 -0.01 1.55 1.43 -0.93 -4.86 118.68 111.71 3kit s LEU 70 Ca -0.24 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3kit s LEU 70 Cb 0.03 -4.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 3kit s LEU 70 CO 0.56 -0.37 0.07 1.67 0.23 0.00 0.00 176.35 178.51 3kit n GLN 71 N -1.17 0.67 -2.15 1.70 -0.06 -1.26 -4.42 117.38 110.70 3kit n GLN 71 Ca 0.02 -0.03 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 3kit n GLN 71 Cb 0.54 -1.09 -0.02 0.00 -4.06 0.00 0.00 30.24 25.61 3kit n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kit s ASP 72 N -2.59 6.38 0.24 1.69 3.68 -1.26 -4.88 116.67 119.93 3kit s ASP 72 Ca -0.01 1.54 -0.05 0.00 2.13 0.00 0.00 52.55 56.16 3kit s ASP 72 Cb 0.02 -2.53 0.34 0.00 -1.45 0.00 0.00 42.92 39.29 3kit s ASP 72 CO 0.15 -1.27 1.86 0.58 0.13 0.00 0.00 175.17 176.62 3kit h VAL 73 N 6.17 1.06 0.01 1.11 2.07 -1.98 0.75 116.25 125.44 3kit h VAL 73 Ca -0.33 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3kit h VAL 73 Cb 1.15 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3kit h VAL 73 CO 1.01 0.19 -0.20 0.11 0.02 0.00 0.00 177.57 178.69 3kit h LYS 74 N 1.02 -0.32 -0.83 1.57 6.56 -2.00 -1.20 116.57 121.38 3kit h LYS 74 Ca 0.38 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 60.00 3kit h LYS 74 Cb 0.15 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 3kit h LYS 74 CO -0.17 -0.21 0.55 1.25 -2.06 0.00 0.00 179.45 178.81 3kit h LEU 75 N -0.33 0.95 -0.50 2.94 7.12 -1.71 -1.77 115.31 122.02 3kit h LEU 75 Ca 0.05 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.07 3kit h LEU 75 Cb 0.40 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 3kit h LEU 75 CO -0.18 0.69 0.29 1.62 -0.13 0.00 0.00 178.44 180.73 3kit h VAL 76 N 1.12 1.04 0.62 1.05 3.04 -0.48 -1.67 116.25 120.98 3kit h VAL 76 Ca 0.31 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.77 3kit h VAL 76 Cb -0.12 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.56 3kit h VAL 76 CO -0.07 0.11 -0.41 0.03 -1.01 0.00 0.00 177.57 176.22 3kit h ARG 77 N 0.58 -0.94 -1.53 4.17 3.08 -0.61 -0.51 114.38 118.62 3kit h ARG 77 Ca 0.20 0.06 0.47 0.00 0.07 0.00 0.00 59.98 60.79 3kit h ARG 77 Cb 0.03 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.20 3kit h ARG 77 CO -0.10 -0.63 1.05 -0.22 -1.07 0.00 0.00 179.97 179.00 3kit h LYS 78 N -0.98 0.05 0.38 0.04 3.64 -1.18 0.52 116.57 119.04 3kit h LYS 78 Ca -0.08 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3kit h LYS 78 Cb 0.79 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3kit h LYS 78 CO 0.07 0.03 -0.18 1.25 -2.27 0.00 0.00 179.45 178.35 3kit h LEU 79 N 0.05 -0.43 -0.01 5.20 6.46 -0.31 0.26 115.31 126.53 3kit h LEU 79 Ca 0.83 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.62 3kit h LEU 79 Cb 2.94 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 42.95 3kit h LEU 79 CO -0.23 -0.13 -0.10 -0.26 -0.62 0.00 0.00 178.44 177.11 3kit h PHE 80 N -0.86 -0.26 0.09 1.25 0.05 0.80 0.85 116.94 118.85 3kit h PHE 80 Ca -0.05 0.01 -0.23 0.00 3.82 0.00 0.00 57.97 61.52 3kit h PHE 80 Cb 0.39 0.12 0.02 0.00 2.00 0.00 0.00 35.95 38.48 3kit h PHE 80 CO 0.03 -0.16 -0.94 -0.44 -0.18 0.00 0.00 178.31 176.62 3kit h ASP 81 N -0.17 0.68 0.00 2.17 3.32 -0.25 -3.37 116.42 118.80 3kit h ASP 81 Ca 0.04 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.26 3kit h ASP 81 Cb 0.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3kit h ASP 81 CO -0.11 1.44 -0.60 -0.62 -1.72 0.00 0.00 179.24 177.63 3kit n GLU 82 N -4.00 0.32 0.00 3.56 1.02 -0.57 -4.63 120.64 116.33 3kit n GLU 82 Ca -0.13 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kit n GLU 82 Cb 0.85 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 3kit n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kit n ILE 83 N -3.70 0.00 -0.40 -3.67 2.08 0.81 -3.72 119.36 110.76 3kit n ILE 83 Ca -0.08 1.37 -0.09 0.00 0.56 0.00 0.00 62.75 64.51 3kit n ILE 83 Cb 0.31 -2.13 -0.07 0.00 -0.75 0.00 0.00 39.64 37.01 3kit n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kit n ALA 84 N -2.05 -0.51 -0.37 -1.39 0.00 0.29 -2.01 120.51 114.47 3kit n ALA 84 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 53.44 54.31 3kit n ALA 84 Cb 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 19.45 19.34 3kit n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kit h PRO 85 N 0.00 -0.00 0.00 0.00 0.11 -1.71 0.10 132.00 130.50 3kit h PRO 85 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3kit h PRO 85 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3kit h PRO 85 CO -0.92 -0.00 0.30 0.54 -0.21 0.00 0.00 178.00 177.71 3kit n ARG 86 N -5.54 0.00 0.00 1.05 1.74 -0.85 -3.63 116.66 109.42 3kit n ARG 86 Ca 0.13 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3kit n ARG 86 Cb 0.45 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3kit n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kit n TYR 87 N -1.04 0.00 0.00 -1.55 4.01 0.36 -4.87 117.16 114.06 3kit n TYR 87 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kit n TYR 87 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 3kit n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3kit n ARG 88 N 0.00 0.00 0.00 -0.72 0.00 -1.24 -3.72 116.66 110.98 3kit n ARG 88 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 3kit n ARG 88 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 32.46 31.20 3kit n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kit n ASP 89 N 0.04 1.27 -4.77 6.15 8.00 -1.26 -4.94 116.55 121.05 3kit n ASP 89 Ca 0.00 -1.13 -0.37 0.00 0.71 0.00 0.00 54.79 54.00 3kit n ASP 89 Cb 0.00 0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 41.74 3kit n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kit s ARG 90 N -2.22 4.07 -0.93 -1.24 3.52 -1.24 -5.04 118.95 115.86 3kit s ARG 90 Ca 0.10 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.68 3kit s ARG 90 Cb 0.13 -3.35 0.24 0.00 -1.56 0.00 0.00 34.95 30.41 3kit s ARG 90 CO 0.53 0.40 0.89 -0.65 -0.81 0.00 0.00 175.30 175.66 3kit s GLN 91 N -0.03 3.79 0.13 5.12 -1.52 -1.26 -4.99 119.66 120.91 3kit s GLN 91 Ca 0.17 -2.79 0.00 0.00 -1.95 0.00 0.00 55.36 50.79 3kit s GLN 91 Cb -0.13 -4.44 0.00 0.00 -0.22 0.00 0.00 33.01 28.22 3kit s GLN 91 CO 0.05 -1.27 0.00 0.41 -0.25 0.00 0.00 175.29 174.23 3kit n GLY 92 N 3.40 -1.93 2.65 3.09 0.00 -1.26 -4.99 105.19 106.16 3kit n GLY 92 Ca 0.18 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 3kit n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 93 N -2.69 -0.14 0.52 -0.02 0.00 -1.26 -4.91 105.19 96.69 3kit n GLY 93 Ca -0.01 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3kit n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kit n TYR 94 N -3.08 0.00 -5.20 1.61 4.02 -1.26 -4.86 117.16 108.39 3kit n TYR 94 Ca -0.18 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.40 3kit n TYR 94 Cb 0.61 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.77 3kit n TYR 94 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3kit s THR 95 N -2.00 1.96 0.01 -0.72 2.01 -1.26 -3.45 115.64 112.19 3kit s THR 95 Ca 0.37 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.44 3kit s THR 95 Cb 0.21 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 3kit s THR 95 CO 0.33 0.55 -0.25 -0.60 -0.69 0.00 0.00 174.62 173.95 3kit s ARG 96 N -0.14 1.90 -0.14 4.92 3.52 -0.48 -4.95 118.95 123.58 3kit s ARG 96 Ca -0.04 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.57 3kit s ARG 96 Cb -0.13 -1.95 0.03 0.00 -1.56 0.00 0.00 34.95 31.33 3kit s ARG 96 CO 0.03 0.52 -0.12 0.08 -0.81 0.00 0.00 175.30 175.01 3kit s VAL 97 N -0.69 1.40 -0.07 7.11 1.01 -1.26 -0.72 120.40 127.17 3kit s VAL 97 Ca 0.10 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kit s VAL 97 Cb -0.10 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3kit s VAL 97 CO 0.00 0.40 -0.12 -0.76 0.00 0.00 0.00 175.10 174.62 3kit s LEU 98 N 1.55 1.62 -0.02 3.92 1.43 0.04 -4.95 118.68 122.28 3kit s LEU 98 Ca 0.04 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 3kit s LEU 98 Cb -0.13 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3kit s LEU 98 CO -0.10 0.02 0.90 -1.59 0.23 0.00 0.00 176.35 175.81 3kit s LYS 99 N 0.79 4.52 0.44 1.70 0.00 -1.26 0.56 119.74 126.49 3kit s LYS 99 Ca -0.12 1.26 -0.16 0.00 0.00 0.00 0.00 55.97 56.95 3kit s LYS 99 Cb -0.15 -3.46 -0.09 0.00 0.00 0.00 0.00 37.83 34.13 3kit s LYS 99 CO 0.02 -0.01 0.89 -0.51 0.00 0.00 0.00 175.35 175.74 3kit s LEU 100 N 0.94 3.83 0.16 2.77 2.01 -0.85 -4.93 118.68 122.60 3kit s LEU 100 Ca 0.48 1.46 -0.13 0.00 0.01 0.00 0.00 54.13 55.95 3kit s LEU 100 Cb -0.20 -4.34 -0.07 0.00 0.01 0.00 0.00 46.19 41.59 3kit s LEU 100 CO 0.25 -0.42 0.54 0.00 1.01 0.00 0.00 176.35 177.73 3kit s ALA 101 N -2.34 3.59 0.00 4.21 0.00 -1.26 -4.55 121.76 121.40 3kit s ALA 101 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3kit s ALA 101 Cb -0.10 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3kit s ALA 101 CO 0.24 0.48 0.00 0.39 0.00 0.00 0.00 175.76 176.87 3kit n GLU 102 N 0.61 0.00 -3.03 0.00 1.02 -1.26 -5.03 120.64 112.95 3kit n GLU 102 Ca -0.04 0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 57.06 3kit n GLU 102 Cb 0.52 -0.06 -0.00 0.00 -0.02 0.00 0.00 31.44 31.88 3kit n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kit s ARG 103 N -2.53 3.36 0.36 3.49 0.52 -1.26 -4.43 118.95 118.46 3kit s ARG 103 Ca 0.00 -0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 54.71 3kit s ARG 103 Cb 0.00 -2.54 -0.11 0.00 0.52 0.00 0.00 34.95 32.82 3kit s ARG 103 CO 0.00 -0.10 1.49 1.03 0.02 0.00 0.00 175.30 177.75 3kit s ARG 104 N -4.53 4.12 -1.22 3.54 0.52 -0.93 -4.87 118.95 115.59 3kit s ARG 104 Ca 0.45 2.55 -0.10 0.00 -0.52 0.00 0.00 55.73 58.11 3kit s ARG 104 Cb -0.10 -2.98 0.19 0.00 0.52 0.00 0.00 34.95 32.58 3kit s ARG 104 CO 0.39 -0.53 1.64 0.54 0.02 0.00 0.00 175.30 177.36 3kit n ARG 105 N 0.76 3.63 0.00 3.54 1.74 -1.26 -1.52 116.66 123.55 3kit n ARG 105 Ca 0.02 -3.81 0.00 0.00 -0.77 0.00 0.00 57.85 53.29 3kit n ARG 105 Cb 0.39 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 3kit n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kit n GLY 106 N 3.06 0.00 0.00 -0.13 0.00 -1.26 -4.95 105.19 101.91 3kit n GLY 106 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3kit n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kit n ASP 107 N -0.14 0.00 -1.73 1.61 3.85 -1.24 -5.03 116.55 113.88 3kit n ASP 107 Ca 0.00 -0.46 -0.15 0.00 -0.71 0.00 0.00 54.79 53.47 3kit n ASP 107 Cb 0.00 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3kit n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kit n GLY 108 N 0.00 -0.23 3.72 6.12 0.00 -0.57 -4.97 105.19 109.25 3kit n GLY 108 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3kit n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit s ALA 109 N -2.76 3.30 -0.12 4.61 0.00 -1.26 -4.72 121.76 120.80 3kit s ALA 109 Ca 0.02 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3kit s ALA 109 Cb -0.01 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3kit s ALA 109 CO 0.03 -0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.33 3kit s PRO 110 N 0.78 4.34 0.47 0.00 0.04 -1.26 -2.18 135.00 137.19 3kit s PRO 110 Ca 0.54 1.50 0.05 0.00 0.04 0.00 0.00 61.00 63.13 3kit s PRO 110 Cb -0.26 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.70 3kit s PRO 110 CO 0.30 -0.47 0.66 -0.51 0.04 0.00 0.00 177.00 177.01 3kit s LEU 111 N 2.51 3.52 0.23 -3.56 1.43 -1.26 -2.39 118.68 119.15 3kit s LEU 111 Ca 0.50 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 3kit s LEU 111 Cb -0.20 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.27 3kit s LEU 111 CO 0.16 -0.90 0.61 0.00 0.23 0.00 0.00 176.35 176.45 3kit s ALA 112 N -2.52 -1.09 0.06 4.21 0.00 -0.06 -2.01 121.76 120.34 3kit s ALA 112 Ca 0.55 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.39 3kit s ALA 112 Cb -0.10 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 3kit s ALA 112 CO 0.35 -0.89 -0.20 -0.48 0.00 0.00 0.00 175.76 174.55 3kit s LEU 113 N -2.88 2.20 -0.17 0.00 2.34 0.19 -1.69 118.68 118.67 3kit s LEU 113 Ca 0.10 -0.55 -0.01 0.00 0.06 0.00 0.00 54.13 53.73 3kit s LEU 113 Cb -0.03 -0.89 -0.00 0.00 -0.56 0.00 0.00 46.19 44.71 3kit s LEU 113 CO 0.00 0.11 -0.14 -0.69 -1.06 0.00 0.00 176.35 174.58 3kit s VAL 114 N -0.90 2.74 0.28 1.48 1.01 0.95 -0.78 120.40 125.18 3kit s VAL 114 Ca 0.06 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3kit s VAL 114 Cb -0.09 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3kit s VAL 114 CO 0.02 0.50 -0.02 -0.70 0.00 0.00 0.00 175.10 174.91 3kit s GLU 115 N 1.00 2.20 -0.02 2.72 2.12 0.10 -0.83 118.70 126.00 3kit s GLU 115 Ca -0.01 -1.50 0.14 0.00 0.36 0.00 0.00 54.97 53.95 3kit s GLU 115 Cb -0.15 -2.09 0.43 0.00 0.26 0.00 0.00 34.13 32.59 3kit s GLU 115 CO -0.03 0.32 1.35 1.28 -0.54 0.00 0.00 175.26 177.64 3kit n LEU 116 N -0.88 2.73 -1.76 2.70 4.77 -0.52 -1.39 117.00 122.65 3kit n LEU 116 Ca -0.06 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 3kit n LEU 116 Cb 0.60 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kit n LEU 116 CO 0.41 0.62 -0.48 0.52 -1.33 0.00 0.00 177.39 177.13 3kit n VAL 117 N 0.84 -5.60 0.00 4.08 0.31 -1.22 -4.64 118.33 112.10 3kit n VAL 117 Ca 0.16 2.58 0.00 0.00 -0.01 0.00 0.00 64.34 67.07 3kit n VAL 117 Cb 0.46 -3.51 0.00 0.00 -0.91 0.00 0.00 33.84 29.88 3kit n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72