#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 s SER 2 N 0.00 5.93 0.00 1.61 0.01 -1.26 -4.96 113.70 115.03 2kl4 s SER 2 Ca 0.00 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2kl4 s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2kl4 s SER 2 CO 0.00 -1.07 0.00 0.00 0.41 0.00 0.00 173.24 172.58 2kl4 n HIS 3 N -1.25 0.00 0.32 2.43 -0.00 -1.26 -4.89 115.22 110.57 2kl4 n HIS 3 Ca 0.11 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 58.03 2kl4 n HIS 3 Cb 0.52 0.00 1.07 0.00 -0.00 0.00 0.00 29.99 31.57 2kl4 n HIS 3 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2kl4 h MET 4 N 0.00 0.00 -0.57 -1.40 0.00 -1.92 -0.81 114.93 110.23 2kl4 h MET 4 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 59.70 59.62 2kl4 h MET 4 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.58 2kl4 h MET 4 CO 0.00 0.01 0.05 0.93 0.00 0.00 0.00 176.91 177.90 2kl4 h GLU 5 N 0.00 0.94 -0.38 1.72 5.08 -2.00 -0.92 114.58 119.01 2kl4 h GLU 5 Ca -0.00 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 2kl4 h GLU 5 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2kl4 h GLU 5 CO 0.00 0.90 -0.30 0.28 -1.00 0.00 0.00 179.01 178.88 2kl4 h VAL 6 N 0.88 1.28 -0.83 3.13 2.07 -1.52 -3.20 116.25 118.06 2kl4 h VAL 6 Ca 0.17 -1.47 -0.52 0.00 0.82 0.00 0.00 66.70 65.70 2kl4 h VAL 6 Cb 0.45 1.36 -0.24 0.00 -1.52 0.00 0.00 31.29 31.34 2kl4 h VAL 6 CO 0.02 0.49 0.67 0.49 0.02 0.00 0.00 177.57 179.26 2kl4 n PHE 7 N -4.14 2.63 -0.11 1.57 3.72 -0.97 -4.29 117.46 115.87 2kl4 n PHE 7 Ca -0.02 -2.35 -0.17 0.00 -0.05 0.00 0.00 57.45 54.87 2kl4 n PHE 7 Cb 0.50 -1.15 -0.06 0.00 -0.94 0.00 0.00 39.48 37.83 2kl4 n PHE 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 n ALA 8 N -0.61 1.02 0.46 4.37 0.00 -0.37 -4.51 120.51 120.87 2kl4 n ALA 8 Ca 0.51 -0.92 0.13 0.00 0.00 0.00 0.00 53.44 53.16 2kl4 n ALA 8 Cb 0.90 0.07 0.45 0.00 0.00 0.00 0.00 19.45 20.88 2kl4 n ALA 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kl4 h GLU 9 N -0.99 0.00 -0.04 0.00 4.11 -1.77 -0.35 114.58 115.54 2kl4 h GLU 9 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.10 2kl4 h GLU 9 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kl4 h GLU 9 CO -0.16 0.00 -0.22 -0.92 0.07 0.00 0.00 179.01 177.78 2kl4 h TYR 10 N 0.00 0.30 -0.41 2.06 3.20 -1.86 -3.35 116.97 116.91 2kl4 h TYR 10 Ca 0.00 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 2kl4 h TYR 10 Cb 0.57 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2kl4 h TYR 10 CO 0.00 0.86 0.23 -0.07 -1.64 0.00 0.00 178.16 177.54 2kl4 h LEU 11 N -0.35 0.51 -1.59 2.82 -0.00 -1.32 -0.91 115.31 114.48 2kl4 h LEU 11 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2kl4 h LEU 11 Cb 0.89 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 2kl4 h LEU 11 CO 0.05 0.44 0.04 0.07 -0.00 0.00 0.00 178.44 179.03 2kl4 h LYS 12 N 0.54 0.00 -0.03 1.13 2.10 -1.56 -1.44 116.57 117.30 2kl4 h LYS 12 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2kl4 h LYS 12 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2kl4 h LYS 12 CO -0.02 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.84 2kl4 n GLY 13 N -1.27 0.59 3.75 0.07 0.00 -0.36 -5.00 105.19 102.97 2kl4 n GLY 13 Ca -0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2kl4 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kl4 s ILE 14 N -1.65 2.46 0.34 -0.61 -1.09 -0.55 -4.93 121.20 115.18 2kl4 s ILE 14 Ca 0.23 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 59.08 2kl4 s ILE 14 Cb 0.17 -3.25 0.18 0.00 -1.58 0.00 0.00 42.46 37.98 2kl4 s ILE 14 CO 0.25 0.07 1.90 0.44 -1.23 0.00 0.00 174.94 176.37 2kl4 h ASP 15 N 4.79 0.56 -4.22 3.58 3.32 -1.94 -3.44 116.42 119.08 2kl4 h ASP 15 Ca -0.47 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.30 2kl4 h ASP 15 Cb 1.22 -0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.37 2kl4 h ASP 15 CO 0.77 0.57 -0.66 -1.00 -1.72 0.00 0.00 179.24 177.19 2kl4 s HIS 16 N -5.16 0.05 0.20 4.55 3.76 -1.26 -5.02 115.29 112.42 2kl4 s HIS 16 Ca -0.08 -0.10 0.35 0.00 -0.15 0.00 0.00 55.06 55.08 2kl4 s HIS 16 Cb 0.16 -0.05 1.55 0.00 1.11 0.00 0.00 32.58 35.35 2kl4 s HIS 16 CO 0.77 -0.10 2.05 -1.00 -0.85 0.00 0.00 174.74 175.61 2kl4 h PRO 17 N 5.50 0.00 0.00 8.40 0.13 -2.00 -2.15 132.00 141.89 2kl4 h PRO 17 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kl4 h PRO 17 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kl4 h PRO 17 CO 0.46 0.01 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.78 2kl4 h ASP 18 N 0.00 0.00 0.00 1.44 3.32 -2.00 -3.05 116.42 116.13 2kl4 h ASP 18 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kl4 h ASP 18 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kl4 h ASP 18 CO 0.00 0.01 -0.86 1.41 -1.72 0.00 0.00 179.24 178.08 2kl4 n HIS 19 N -3.29 0.00 0.24 4.55 8.25 -0.83 -4.80 115.22 119.35 2kl4 n HIS 19 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 2kl4 n HIS 19 Cb 0.10 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 2kl4 n HIS 19 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2kl4 h ARG 20 N 0.00 -0.63 -0.51 -0.41 2.43 -1.38 -3.11 114.38 110.77 2kl4 h ARG 20 Ca 0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2kl4 h ARG 20 Cb 0.16 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 2kl4 h ARG 20 CO 0.00 -0.32 -0.51 -0.44 -1.51 0.00 0.00 179.97 177.19 2kl4 h ASP 21 N -1.00 -1.74 -0.86 -3.80 5.19 -1.87 -1.13 116.42 111.20 2kl4 h ASP 21 Ca -0.07 0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2kl4 h ASP 21 Cb 0.59 0.73 -0.04 0.00 0.18 0.00 0.00 39.33 40.79 2kl4 h ASP 21 CO 0.11 -0.32 0.57 0.08 -3.12 0.00 0.00 179.24 176.56 2kl4 h ARG 22 N -0.26 1.13 -0.34 3.56 -0.00 -1.89 -1.82 114.38 114.76 2kl4 h ARG 22 Ca 0.09 -0.07 0.07 0.00 -0.00 0.00 0.00 59.98 60.07 2kl4 h ARG 22 Cb 0.49 -0.26 -0.07 0.00 -0.00 0.00 0.00 29.97 30.13 2kl4 h ARG 22 CO -0.62 0.75 -0.10 1.15 -0.00 0.00 0.00 179.97 181.15 2kl4 h THR 23 N 1.17 0.62 -0.50 0.08 2.02 -1.16 -2.46 112.91 112.67 2kl4 h THR 23 Ca 0.32 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.56 2kl4 h THR 23 Cb -0.13 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 2kl4 h THR 23 CO -0.07 0.00 0.20 -0.33 0.37 0.00 0.00 175.52 175.69 2kl4 h GLU 24 N -0.02 0.39 -0.82 6.66 5.08 -0.50 -2.84 114.58 122.52 2kl4 h GLU 24 Ca 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2kl4 h GLU 24 Cb 0.28 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2kl4 h GLU 24 CO -0.37 0.26 0.37 0.93 -1.00 0.00 0.00 179.01 179.20 2kl4 h GLU 25 N 0.40 1.20 -0.08 2.33 4.39 -1.03 -1.09 114.58 120.71 2kl4 h GLU 25 Ca 0.24 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2kl4 h GLU 25 Cb 0.22 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2kl4 h GLU 25 CO -0.22 0.94 -0.08 0.82 -1.16 0.00 0.00 179.01 179.32 2kl4 h ILE 26 N 1.18 0.78 0.39 3.13 2.04 -1.34 0.12 117.51 123.81 2kl4 h ILE 26 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 2kl4 h ILE 26 Cb 0.15 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2kl4 h ILE 26 CO -0.03 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.77 2kl4 h LEU 27 N -0.10 -0.71 -1.15 1.44 3.38 -0.99 -0.30 115.31 116.88 2kl4 h LEU 27 Ca 0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2kl4 h LEU 27 Cb 0.18 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kl4 h LEU 27 CO -0.14 -0.42 -0.09 0.28 0.09 0.00 0.00 178.44 178.17 2kl4 h SER 28 N -0.66 0.00 -0.24 -0.43 0.02 -1.39 -1.95 113.55 108.91 2kl4 h SER 28 Ca -0.04 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2kl4 h SER 28 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2kl4 h SER 28 CO 0.01 0.09 -0.16 -0.25 -1.14 0.00 0.00 176.83 175.38 2kl4 h TRP 29 N 0.00 0.62 -0.45 3.45 7.01 -0.51 -2.25 115.95 123.82 2kl4 h TRP 29 Ca -0.00 -0.17 0.01 0.00 2.11 0.00 0.00 58.89 60.84 2kl4 h TRP 29 Cb 0.66 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2kl4 h TRP 29 CO 0.00 0.83 0.29 0.28 -2.79 0.00 0.00 178.44 177.05 2kl4 h VAL 30 N 0.24 1.10 -0.55 2.65 2.07 -0.83 -0.01 116.25 120.91 2kl4 h VAL 30 Ca 0.05 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.48 2kl4 h VAL 30 Cb 0.69 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2kl4 h VAL 30 CO 0.04 0.11 0.38 0.00 0.02 0.00 0.00 177.57 178.12 2kl4 h ALA 31 N 1.18 2.22 0.07 1.67 0.00 -1.26 0.12 119.26 123.26 2kl4 h ALA 31 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kl4 h ALA 31 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kl4 h ALA 31 CO -0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 179.25 178.80 2kl4 h ALA 32 N 1.73 -0.11 -0.04 0.00 0.00 -0.84 -3.36 119.26 116.63 2kl4 h ALA 32 Ca 0.26 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 2kl4 h ALA 32 Cb 0.74 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kl4 h ALA 32 CO -0.05 -0.11 -0.84 1.15 0.00 0.00 0.00 179.25 179.41 2kl4 h THR 33 N -0.88 1.38 -2.55 0.00 2.02 -0.65 -3.30 112.91 108.93 2kl4 h THR 33 Ca -0.01 -2.29 -0.61 0.00 0.77 0.00 0.00 66.41 64.27 2kl4 h THR 33 Cb 0.08 2.26 -0.42 0.00 -1.74 0.00 0.00 68.15 68.33 2kl4 h THR 33 CO 0.02 0.69 -0.62 0.49 0.37 0.00 0.00 175.52 176.46 2kl4 n PHE 34 N -3.79 3.14 1.33 3.16 3.72 0.39 -4.93 117.46 120.48 2kl4 n PHE 34 Ca -0.06 -4.16 0.13 0.00 -0.05 0.00 0.00 57.45 53.31 2kl4 n PHE 34 Cb 0.78 -0.55 0.69 0.00 -0.94 0.00 0.00 39.48 39.45 2kl4 n PHE 34 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kl4 n PRO 35 N 1.39 0.49 0.11 -1.08 -0.04 -1.24 -3.48 135.00 131.14 2kl4 n PRO 35 Ca 0.25 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2kl4 n PRO 35 Cb 0.39 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2kl4 n PRO 35 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kl4 h ASN 36 N 0.00 0.00 -3.89 3.54 -0.00 -1.91 -3.45 115.58 109.87 2kl4 h ASN 36 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 56.30 55.81 2kl4 h ASN 36 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.51 2kl4 h ASN 36 CO 0.00 0.74 0.42 -0.76 -0.00 0.00 0.00 177.43 177.83 2kl4 s LEU 37 N -6.86 4.32 0.13 0.34 2.01 -1.23 -4.51 118.68 112.88 2kl4 s LEU 37 Ca 0.01 2.09 -0.03 0.00 0.01 0.00 0.00 54.13 56.21 2kl4 s LEU 37 Cb 0.10 -3.96 -0.05 0.00 0.01 0.00 0.00 46.19 42.29 2kl4 s LEU 37 CO 0.78 -0.31 0.34 -1.61 1.01 0.00 0.00 176.35 176.55 2kl4 s GLU 38 N -2.05 3.56 0.55 1.70 0.41 0.07 -4.83 118.70 118.11 2kl4 s GLU 38 Ca 0.52 -0.22 -0.18 0.00 -0.41 0.00 0.00 54.97 54.68 2kl4 s GLU 38 Cb -0.25 -2.89 -0.05 0.00 -1.78 0.00 0.00 34.13 29.15 2kl4 s GLU 38 CO 0.32 0.49 1.08 -1.25 -0.49 0.00 0.00 175.26 175.41 2kl4 s PRO 39 N -2.74 3.42 -0.23 0.39 0.04 -1.26 -0.49 135.00 134.13 2kl4 s PRO 39 Ca 0.39 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 2kl4 s PRO 39 Cb -0.12 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.45 2kl4 s PRO 39 CO 0.26 -0.75 0.56 -1.14 0.04 0.00 0.00 177.00 175.97 2kl4 s GLN 40 N -3.59 0.57 -0.56 4.56 0.74 -1.02 -4.80 119.66 115.56 2kl4 s GLN 40 Ca 0.68 1.01 -0.08 0.00 0.05 0.00 0.00 55.36 57.02 2kl4 s GLN 40 Cb -0.19 0.09 0.14 0.00 1.10 0.00 0.00 33.01 34.15 2kl4 s GLN 40 CO 0.29 -0.15 0.42 -1.64 -0.55 0.00 0.00 175.29 173.66 2kl4 s MET 41 N 1.43 2.62 0.04 1.67 -1.94 -1.26 -2.11 119.30 119.76 2kl4 s MET 41 Ca -0.09 -2.07 0.03 0.00 -1.71 0.00 0.00 55.69 51.84 2kl4 s MET 41 Cb -0.06 -3.92 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 2kl4 s MET 41 CO -0.15 -1.19 0.02 0.21 -0.01 0.00 0.00 175.02 173.89 2kl4 s LYS 42 N 0.79 2.74 -1.53 2.03 2.20 -1.13 -4.65 119.74 120.20 2kl4 s LYS 42 Ca 0.11 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 2kl4 s LYS 42 Cb -0.22 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2kl4 s LYS 42 CO -0.03 0.59 0.00 0.91 -0.36 0.00 0.00 175.35 176.46 2kl4 n TRP 43 N 0.93 -0.10 -2.37 4.03 7.02 -1.26 -0.32 117.44 125.37 2kl4 n TRP 43 Ca -0.12 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.17 2kl4 n TRP 43 Cb 0.52 -2.89 -0.01 0.00 -2.42 0.00 0.00 31.31 26.51 2kl4 n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2kl4 n ASN 44 N -0.95 -5.38 -4.21 -0.99 5.15 -1.26 -5.03 115.26 102.59 2kl4 n ASN 44 Ca -0.14 0.06 -0.24 0.00 -0.60 0.00 0.00 54.58 53.66 2kl4 n ASN 44 Cb 0.57 -4.51 -0.14 0.00 -0.53 0.00 0.00 39.78 35.17 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2kl4 s THR 45 N -2.91 1.46 0.17 -0.44 -4.23 0.56 -4.98 115.64 105.27 2kl4 s THR 45 Ca 0.00 -1.11 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 2kl4 s THR 45 Cb 0.00 -1.28 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 2kl4 s THR 45 CO 0.00 0.14 1.24 -2.16 -0.54 0.00 0.00 174.62 173.30 2kl4 s PRO 46 N -1.13 4.45 0.26 3.99 0.04 -1.23 -2.82 135.00 138.56 2kl4 s PRO 46 Ca 0.05 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2kl4 s PRO 46 Cb -0.08 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 2kl4 s PRO 46 CO 0.02 -0.17 0.40 0.00 0.04 0.00 0.00 177.00 177.29 2kl4 s MET 47 N -0.00 1.58 0.05 4.56 0.23 -0.90 -1.64 119.30 123.18 2kl4 s MET 47 Ca 0.55 -1.47 0.04 0.00 -1.03 0.00 0.00 55.69 53.77 2kl4 s MET 47 Cb -0.33 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.36 2kl4 s MET 47 CO 0.36 -0.63 -0.11 -0.06 -2.03 0.00 0.00 175.02 172.54 2kl4 s PHE 48 N -3.78 0.98 -0.17 3.16 0.40 -0.49 -2.44 117.98 115.64 2kl4 s PHE 48 Ca 0.28 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2kl4 s PHE 48 Cb 0.01 -0.57 0.05 0.00 0.51 0.00 0.00 43.02 43.02 2kl4 s PHE 48 CO 0.13 -0.00 0.02 -1.54 0.70 0.00 0.00 175.22 174.53 2kl4 s SER 49 N -1.52 2.70 -0.69 1.36 1.04 0.36 -3.90 113.70 113.05 2kl4 s SER 49 Ca -0.04 -0.69 -0.26 0.00 0.48 0.00 0.00 55.95 55.44 2kl4 s SER 49 Cb -0.09 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 2kl4 s SER 49 CO 0.01 -0.27 1.88 0.21 0.98 0.00 0.00 173.24 176.05 2kl4 s ASN 50 N 1.84 5.24 -1.57 7.02 2.47 -1.26 -0.75 114.94 127.92 2kl4 s ASN 50 Ca 0.00 0.06 -0.17 0.00 0.42 0.00 0.00 52.86 53.17 2kl4 s ASN 50 Cb -0.16 -2.54 0.16 0.00 -1.45 0.00 0.00 41.25 37.26 2kl4 s ASN 50 CO -0.07 -2.47 0.64 0.00 -3.72 0.00 0.00 177.10 171.47 2kl4 n GLN 51 N 9.10 -2.51 0.00 0.43 6.02 -1.26 -1.90 117.38 127.27 2kl4 n GLN 51 Ca 0.26 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2kl4 n GLN 51 Cb 0.51 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.79 2kl4 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kl4 n GLY 52 N -1.20 0.77 0.05 1.08 0.00 -1.24 -5.11 105.19 99.54 2kl4 n GLY 52 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kl4 n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kl4 n THR 53 N -1.10 0.00 -1.73 2.61 -1.04 -0.80 -4.96 114.28 107.27 2kl4 n THR 53 Ca 0.00 -0.01 0.04 0.00 -2.04 0.00 0.00 64.05 62.04 2kl4 n THR 53 Cb 0.00 -1.45 0.07 0.00 -1.82 0.00 0.00 70.33 67.13 2kl4 n THR 53 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kl4 n PHE 54 N -2.30 0.00 0.88 -1.42 7.35 -1.26 -4.19 117.46 116.52 2kl4 n PHE 54 Ca 0.00 -0.54 0.08 0.00 -0.76 0.00 0.00 57.45 56.23 2kl4 n PHE 54 Cb 0.01 -0.12 0.44 0.00 0.35 0.00 0.00 39.48 40.16 2kl4 n PHE 54 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2kl4 n ILE 55 N -0.51 0.28 -3.67 -2.13 5.41 -1.26 -4.43 119.36 113.05 2kl4 n ILE 55 Ca 0.08 0.07 -0.10 0.00 1.00 0.00 0.00 62.75 63.80 2kl4 n ILE 55 Cb 0.74 -0.81 -0.09 0.00 -0.71 0.00 0.00 39.64 38.77 2kl4 n ILE 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 2kl4 s ILE 56 N -2.29 -0.01 -0.02 1.39 2.07 -1.21 -4.19 121.20 116.93 2kl4 s ILE 56 Ca 0.20 0.04 -0.20 0.00 -1.41 0.00 0.00 60.65 59.27 2kl4 s ILE 56 Cb 0.11 -0.81 0.04 0.00 0.13 0.00 0.00 42.46 41.93 2kl4 s ILE 56 CO 0.21 0.01 0.43 -0.83 -1.91 0.00 0.00 174.94 172.86 2kl4 s GLY 57 N 1.28 -0.29 0.27 1.50 0.00 -1.24 -1.40 107.32 107.44 2kl4 s GLY 57 Ca -0.08 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.29 2kl4 s GLY 57 CO -0.13 0.38 0.26 -0.11 0.00 0.00 0.00 173.10 173.49 2kl4 s PHE 58 N -1.29 1.32 0.13 1.90 -0.12 -0.65 -4.22 117.98 115.05 2kl4 s PHE 58 Ca -0.13 -1.43 -0.14 0.00 -0.05 0.00 0.00 56.93 55.18 2kl4 s PHE 58 Cb -0.04 -0.50 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 2kl4 s PHE 58 CO 0.06 -0.82 0.37 -1.54 -0.05 0.00 0.00 175.22 173.24 2kl4 s SER 59 N -3.24 -0.15 0.77 1.98 1.04 -1.23 -3.49 113.70 109.38 2kl4 s SER 59 Ca 0.37 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 56.24 2kl4 s SER 59 Cb 0.04 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.67 2kl4 s SER 59 CO 0.19 -0.86 1.10 0.42 0.98 0.00 0.00 173.24 175.07 2kl4 s THR 60 N -3.84 3.16 0.29 2.02 -4.23 -1.26 -2.54 115.64 109.23 2kl4 s THR 60 Ca 0.06 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 2kl4 s THR 60 Cb 0.02 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 2kl4 s THR 60 CO -0.09 -0.46 0.20 -0.44 -0.54 0.00 0.00 174.62 173.28 2kl4 s SER 61 N -3.15 1.21 0.13 3.99 0.01 -0.06 -4.85 113.70 110.98 2kl4 s SER 61 Ca 0.63 -1.59 -0.32 0.00 1.31 0.00 0.00 55.95 55.98 2kl4 s SER 61 Cb -0.19 0.45 -0.10 0.00 0.21 0.00 0.00 66.02 66.40 2kl4 s SER 61 CO 0.54 -0.94 1.53 0.11 0.41 0.00 0.00 173.24 174.89 2kl4 h LYS 62 N 2.30 -0.31 0.00 12.44 6.56 -2.00 -3.29 116.57 132.26 2kl4 h LYS 62 Ca -0.31 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2kl4 h LYS 62 Cb 1.24 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2kl4 h LYS 62 CO 0.46 -0.21 0.00 0.72 -2.06 0.00 0.00 179.45 178.37 2kl4 n HIS 63 N -5.28 0.00 -3.85 -1.35 8.25 -1.26 -5.02 115.22 106.70 2kl4 n HIS 63 Ca -0.03 -0.28 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 2kl4 n HIS 63 Cb 0.32 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 2kl4 n HIS 63 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kl4 s HIS 64 N -0.55 0.12 0.38 4.41 -3.43 -1.24 -1.80 115.29 113.17 2kl4 s HIS 64 Ca 0.00 -0.47 -0.07 0.00 -0.80 0.00 0.00 55.06 53.72 2kl4 s HIS 64 Cb 0.00 -0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 31.04 2kl4 s HIS 64 CO 0.00 -0.50 0.69 -1.17 -2.00 0.00 0.00 174.74 171.77 2kl4 s LEU 65 N -2.56 3.88 -0.25 5.38 2.96 -1.18 -0.89 118.68 126.02 2kl4 s LEU 65 Ca 0.01 0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 2kl4 s LEU 65 Cb 0.03 -3.81 0.03 0.00 0.50 0.00 0.00 46.19 42.93 2kl4 s LEU 65 CO -0.08 -0.36 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.58 2kl4 s SER 66 N -3.34 4.29 0.03 3.68 1.04 -1.05 -3.29 113.70 115.06 2kl4 s SER 66 Ca 0.48 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 56.05 2kl4 s SER 66 Cb -0.10 -1.65 -0.02 0.00 0.10 0.00 0.00 66.02 64.35 2kl4 s SER 66 CO 0.33 -0.13 -0.19 -0.69 0.98 0.00 0.00 173.24 173.54 2kl4 s VAL 67 N 1.30 1.49 -0.09 5.02 1.01 -0.58 -3.53 120.40 125.02 2kl4 s VAL 67 Ca -0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 2kl4 s VAL 67 Cb -0.17 -1.29 0.12 0.00 0.00 0.00 0.00 36.38 35.04 2kl4 s VAL 67 CO -0.05 0.20 0.98 -0.55 0.00 0.00 0.00 175.10 175.68 2kl4 s SER 68 N -1.01 -0.32 -0.07 3.32 0.15 -1.26 -0.48 113.70 114.03 2kl4 s SER 68 Ca 0.06 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 2kl4 s SER 68 Cb -0.08 0.31 -0.11 0.00 -1.71 0.00 0.00 66.02 64.43 2kl4 s SER 68 CO 0.01 -0.46 0.60 1.55 1.20 0.00 0.00 173.24 176.14 2kl4 h PRO 69 N 2.17 -0.23 0.00 5.44 0.13 -1.77 -3.29 132.00 134.45 2kl4 h PRO 69 Ca -0.18 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kl4 h PRO 69 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kl4 h PRO 69 CO 0.29 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.53 2kl4 n GLU 70 N -4.93 0.00 0.00 0.86 1.02 -1.26 -3.35 120.64 112.98 2kl4 n GLU 70 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2kl4 n GLU 70 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 2kl4 n GLU 70 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kl4 n GLU 71 N -0.91 0.00 0.05 3.49 0.28 -1.26 -4.78 120.64 117.51 2kl4 n GLU 71 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 2kl4 n GLU 71 Cb 0.00 -0.32 0.18 0.00 1.43 0.00 0.00 31.44 32.73 2kl4 n GLU 71 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 2kl4 h ILE 72 N 0.00 1.30 -1.41 3.84 2.10 -1.95 -1.55 117.51 119.84 2kl4 h ILE 72 Ca 0.00 -1.52 0.41 0.00 1.08 0.00 0.00 64.86 64.84 2kl4 h ILE 72 Cb 0.00 1.61 -0.08 0.00 -1.09 0.00 0.00 36.82 37.26 2kl4 h ILE 72 CO 0.00 0.46 0.99 1.23 -1.08 0.00 0.00 178.15 179.75 2kl4 h GLY 73 N 1.15 0.40 -1.41 8.18 0.00 -1.92 0.95 103.07 110.43 2kl4 h GLY 73 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2kl4 h GLY 73 CO 0.07 -0.09 -0.04 1.39 0.00 0.00 0.00 176.54 177.87 2kl4 n ILE 74 N -4.27 0.00 0.00 2.60 2.08 -0.59 -3.70 119.36 115.48 2kl4 n ILE 74 Ca 0.33 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2kl4 n ILE 74 Cb 1.45 1.36 0.00 0.00 -0.75 0.00 0.00 39.64 41.70 2kl4 n ILE 74 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2kl4 n SER 75 N 0.92 1.34 0.12 4.38 7.64 -0.33 -4.49 113.62 123.19 2kl4 n SER 75 Ca 0.10 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.77 2kl4 n SER 75 Cb 0.45 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.51 2kl4 n SER 75 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2kl4 h GLN 76 N 0.00 0.53 -0.38 1.43 5.75 -1.12 -3.24 115.11 118.09 2kl4 h GLN 76 Ca 0.00 -0.80 0.00 0.00 -0.15 0.00 0.00 58.65 57.70 2kl4 h GLN 76 Cb 0.93 0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2kl4 h GLN 76 CO 0.00 1.37 0.00 1.19 -2.65 0.00 0.00 178.83 178.74 2kl4 n PHE 77 N -3.72 0.49 -0.18 3.99 3.01 -1.24 -4.59 117.46 115.22 2kl4 n PHE 77 Ca -0.14 -0.25 0.03 0.00 1.01 0.00 0.00 57.45 58.09 2kl4 n PHE 77 Cb 1.03 -0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.80 2kl4 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kl4 h ALA 78 N 4.35 1.56 -0.07 4.37 0.00 -1.66 -0.84 119.26 126.97 2kl4 h ALA 78 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2kl4 h ALA 78 Cb 0.97 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kl4 h ALA 78 CO 0.00 0.39 -0.22 0.22 0.00 0.00 0.00 179.25 179.63 2kl4 h ASP 79 N 0.89 0.31 -0.84 0.00 1.82 -1.81 0.14 116.42 116.94 2kl4 h ASP 79 Ca 0.27 -0.62 0.01 0.00 -0.39 0.00 0.00 57.03 56.31 2kl4 h ASP 79 Cb -0.01 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 39.86 2kl4 h ASP 79 CO -0.07 0.88 0.55 0.00 -1.61 0.00 0.00 179.24 178.99 2kl4 h ALA 80 N 0.45 1.07 -0.35 -0.78 0.00 -1.82 -0.02 119.26 117.80 2kl4 h ALA 80 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kl4 h ALA 80 Cb 0.85 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2kl4 h ALA 80 CO 0.05 0.45 0.20 0.82 0.00 0.00 0.00 179.25 180.77 2kl4 h ILE 81 N 1.12 1.13 -0.07 0.00 2.04 -1.09 -3.05 117.51 117.60 2kl4 h ILE 81 Ca 0.31 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2kl4 h ILE 81 Cb -0.11 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2kl4 h ILE 81 CO -0.08 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.25 2kl4 h ALA 82 N 1.06 0.09 0.00 1.87 0.00 0.32 -2.38 119.26 120.23 2kl4 h ALA 82 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2kl4 h ALA 82 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kl4 h ALA 82 CO -0.02 -0.35 -0.10 1.96 0.00 0.00 0.00 179.25 180.73 2kl4 h GLN 83 N -0.01 0.00 0.00 0.00 4.20 -1.12 -0.83 115.11 117.35 2kl4 h GLN 83 Ca 0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2kl4 h GLN 83 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2kl4 h GLN 83 CO -0.00 0.10 -0.15 0.00 -0.67 0.00 0.00 178.83 178.11 2kl4 h ALA 84 N 1.90 1.04 0.00 3.87 0.00 -1.31 -3.47 119.26 121.29 2kl4 h ALA 84 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kl4 h ALA 84 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kl4 h ALA 84 CO 0.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2kl4 n GLY 85 N 0.04 1.63 3.17 0.00 0.00 -0.32 -5.09 105.19 104.62 2kl4 n GLY 85 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2kl4 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kl4 s TYR 86 N -2.00 3.50 -0.75 1.61 2.02 -1.15 -5.03 117.35 115.55 2kl4 s TYR 86 Ca 0.00 -2.37 -0.25 0.00 -0.37 0.00 0.00 57.07 54.08 2kl4 s TYR 86 Cb 0.00 -3.38 -0.16 0.00 -0.40 0.00 0.00 41.96 38.02 2kl4 s TYR 86 CO 0.00 -0.92 2.46 0.43 -1.57 0.00 0.00 175.55 175.95 2kl4 n SER 87 N 4.00 1.20 -4.14 2.29 7.64 -1.26 -4.60 113.62 118.75 2kl4 n SER 87 Ca 0.04 -0.55 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 2kl4 n SER 87 Cb 0.40 -1.30 0.19 0.00 -1.01 0.00 0.00 64.21 62.49 2kl4 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 s ALA 88 N 10.39 2.20 0.00 -0.43 0.00 -1.26 -4.15 121.76 128.51 2kl4 s ALA 88 Ca 1.11 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2kl4 s ALA 88 Cb -0.53 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kl4 s ALA 88 CO 0.32 -2.46 0.00 0.25 0.00 0.00 0.00 175.76 173.88 2kl4 n THR 89 N -3.79 0.00 0.17 0.00 -2.24 0.50 -4.90 114.28 104.03 2kl4 n THR 89 Ca 0.15 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 2kl4 n THR 89 Cb 0.59 -0.98 0.17 0.00 -2.10 0.00 0.00 70.33 68.02 2kl4 n THR 89 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2kl4 h LYS 90 N 0.00 0.00 0.00 -0.78 6.56 -2.00 -3.39 116.57 116.95 2kl4 h LYS 90 Ca 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 2kl4 h LYS 90 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2kl4 h LYS 90 CO 0.00 0.37 -1.58 0.41 -2.06 0.00 0.00 179.45 176.59 2kl4 n GLY 91 N 0.87 -0.48 3.34 3.86 0.00 -1.26 -4.86 105.19 106.65 2kl4 n GLY 91 Ca 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2kl4 n GLY 91 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl4 s LEU 92 N -4.28 0.50 0.34 0.99 0.05 -1.26 -4.61 118.68 110.41 2kl4 s LEU 92 Ca -0.04 -0.42 0.04 0.00 0.05 0.00 0.00 54.13 53.76 2kl4 s LEU 92 Cb 0.05 1.75 -0.01 0.00 -2.05 0.00 0.00 46.19 45.92 2kl4 s LEU 92 CO 0.41 -0.87 0.50 0.72 -0.55 0.00 0.00 176.35 176.55 2kl4 s PHE 93 N -3.83 3.24 0.32 3.48 -0.12 0.37 -0.37 117.98 121.08 2kl4 s PHE 93 Ca 0.05 -0.03 0.10 0.00 -0.05 0.00 0.00 56.93 57.00 2kl4 s PHE 93 Cb 0.02 -1.96 -0.06 0.00 -0.63 0.00 0.00 43.02 40.39 2kl4 s PHE 93 CO -0.10 0.02 -0.07 1.03 -0.05 0.00 0.00 175.22 176.06 2kl4 s ARG 94 N -4.23 1.93 0.06 1.99 3.00 -1.26 -1.53 118.95 118.91 2kl4 s ARG 94 Ca 0.43 -1.79 0.05 0.00 0.00 0.00 0.00 55.73 54.42 2kl4 s ARG 94 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 34.95 32.99 2kl4 s ARG 94 CO 0.33 0.20 -0.14 0.42 0.00 0.00 0.00 175.30 176.10 2kl4 s ILE 95 N -2.53 1.10 0.85 1.52 1.09 -1.21 -4.67 121.20 117.36 2kl4 s ILE 95 Ca 0.33 -1.15 -0.12 0.00 -1.10 0.00 0.00 60.65 58.61 2kl4 s ILE 95 Cb -0.01 -1.03 0.11 0.00 -1.06 0.00 0.00 42.46 40.47 2kl4 s ILE 95 CO 0.18 -0.12 1.17 -0.81 -0.10 0.00 0.00 174.94 175.26 2kl4 n PRO 96 N 1.58 -0.06 -0.08 2.79 -0.04 -1.26 -3.12 135.00 134.81 2kl4 n PRO 96 Ca -0.20 0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 2kl4 n PRO 96 Cb 0.54 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 2kl4 n PRO 96 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2kl4 h TRP 97 N -1.28 0.42 0.00 0.54 -0.00 -1.70 -3.34 115.95 110.59 2kl4 h TRP 97 Ca -0.45 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.36 2kl4 h TRP 97 Cb 1.29 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 30.33 2kl4 h TRP 97 CO 0.47 0.52 -0.09 -0.97 -0.00 0.00 0.00 178.44 178.37 2kl4 h ASN 98 N 0.21 0.00 -2.16 -3.49 -1.24 -1.93 -3.45 115.58 103.52 2kl4 h ASN 98 Ca 0.07 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.53 2kl4 h ASN 98 Cb 0.32 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.28 2kl4 h ASN 98 CO 0.00 0.09 -0.62 -0.62 -1.29 0.00 0.00 177.43 175.00 2kl4 s ASP 99 N -5.92 4.67 0.33 1.15 2.15 -1.25 -5.09 116.67 112.72 2kl4 s ASP 99 Ca 0.01 -0.62 -0.26 0.00 0.43 0.00 0.00 52.55 52.12 2kl4 s ASP 99 Cb 0.09 -0.90 -0.10 0.00 -0.30 0.00 0.00 42.92 41.72 2kl4 s ASP 99 CO 0.59 -0.04 0.97 -2.16 -0.17 0.00 0.00 175.17 174.36 2kl4 s PRO 100 N -3.71 4.51 -0.16 4.34 0.04 -1.26 -4.70 135.00 134.05 2kl4 s PRO 100 Ca 0.32 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 2kl4 s PRO 100 Cb -0.06 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 2kl4 s PRO 100 CO 0.21 0.19 0.84 0.54 0.04 0.00 0.00 177.00 178.82 2kl4 s VAL 101 N -1.60 4.88 -1.29 -0.36 0.11 -1.26 -4.97 120.40 115.91 2kl4 s VAL 101 Ca 0.51 1.66 -0.18 0.00 -2.93 0.00 0.00 61.98 61.04 2kl4 s VAL 101 Cb -0.20 -4.15 0.04 0.00 -1.53 0.00 0.00 36.38 30.54 2kl4 s VAL 101 CO 0.26 0.03 1.82 1.57 -3.33 0.00 0.00 175.10 175.45 2kl4 n HIS 102 N 5.17 4.21 -0.18 1.54 -0.00 -1.26 -4.83 115.22 119.87 2kl4 n HIS 102 Ca 0.05 -2.63 -0.00 0.00 0.46 0.00 0.00 57.72 55.59 2kl4 n HIS 102 Cb 0.49 -2.61 0.09 0.00 -0.12 0.00 0.00 29.99 27.84 2kl4 n HIS 102 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2kl4 h TYR 103 N 7.73 0.14 0.00 1.57 -1.99 -1.98 -2.37 116.97 120.07 2kl4 h TYR 103 Ca 0.43 0.04 -0.05 0.00 2.00 0.00 0.00 58.73 61.15 2kl4 h TYR 103 Cb 0.85 0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 2kl4 h TYR 103 CO 1.40 -0.05 -0.22 1.49 -0.00 0.00 0.00 178.16 180.78 2kl4 h GLU 104 N 0.22 0.00 0.25 4.88 4.57 -1.99 0.18 114.58 122.69 2kl4 h GLU 104 Ca 0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2kl4 h GLU 104 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2kl4 h GLU 104 CO -0.40 0.22 -0.12 1.25 -1.18 0.00 0.00 179.01 178.78 2kl4 h LEU 105 N 0.00 -0.28 -1.20 1.64 7.12 -1.86 -3.28 115.31 117.44 2kl4 h LEU 105 Ca -0.00 -0.22 -0.04 0.00 0.13 0.00 0.00 57.88 57.75 2kl4 h LEU 105 Cb 0.61 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 2kl4 h LEU 105 CO 0.03 0.22 -0.20 0.17 -0.13 0.00 0.00 178.44 178.52 2kl4 h LEU 106 N -0.95 0.00 -0.28 2.25 8.10 -0.98 -0.98 115.31 122.47 2kl4 h LEU 106 Ca -0.03 0.00 0.07 0.00 0.11 0.00 0.00 57.88 58.02 2kl4 h LEU 106 Cb 0.48 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.63 2kl4 h LEU 106 CO 0.06 0.20 -0.29 0.50 -4.11 0.00 0.00 178.44 174.80 2kl4 h LYS 107 N 0.00 -0.27 -0.24 0.17 3.64 -0.79 -2.82 116.57 116.25 2kl4 h LYS 107 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2kl4 h LYS 107 Cb 0.70 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2kl4 h LYS 107 CO 0.03 -0.18 0.15 1.96 -2.27 0.00 0.00 179.45 179.14 2kl4 h GLN 108 N -0.28 0.32 -0.64 1.90 4.20 -1.23 0.61 115.11 120.00 2kl4 h GLN 108 Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2kl4 h GLN 108 Cb 0.51 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2kl4 h GLN 108 CO -0.44 0.24 0.00 0.00 -0.67 0.00 0.00 178.83 177.96 2kl4 n MET 109 N -4.90 0.92 -0.02 1.46 0.00 -1.19 -0.86 117.12 112.52 2kl4 n MET 109 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.64 2kl4 n MET 109 Cb 0.04 -1.32 -0.02 0.00 0.00 0.00 0.00 33.22 31.93 2kl4 n MET 109 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2kl4 n ILE 110 N -0.12 0.22 0.19 3.17 0.00 -0.54 -4.40 119.36 117.88 2kl4 n ILE 110 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 62.75 62.54 2kl4 n ILE 110 Cb 0.16 -1.35 -0.08 0.00 0.00 0.00 0.00 39.64 38.38 2kl4 n ILE 110 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2kl4 h GLU 111 N -0.11 -0.42 -0.38 9.51 5.08 -0.75 -0.20 114.58 127.32 2kl4 h GLU 111 Ca -0.10 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2kl4 h GLU 111 Cb 1.10 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2kl4 h GLU 111 CO -0.05 -0.28 0.24 0.35 -1.00 0.00 0.00 179.01 178.27 2kl4 h PHE 112 N -0.44 0.48 0.00 4.33 3.57 -1.23 -1.05 116.94 122.62 2kl4 h PHE 112 Ca -0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2kl4 h PHE 112 Cb 0.35 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2kl4 h PHE 112 CO -0.08 0.32 -0.02 -0.97 -2.23 0.00 0.00 178.31 175.34 2kl4 h ASN 113 N 0.50 0.00 0.24 0.41 -1.24 -1.61 0.22 115.58 114.10 2kl4 h ASN 113 Ca 0.14 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2kl4 h ASN 113 Cb -0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2kl4 h ASN 113 CO -0.03 0.02 -0.12 0.40 -1.29 0.00 0.00 177.43 176.41 2kl4 h ILE 114 N 0.00 0.05 0.00 2.57 2.04 -0.80 -3.38 117.51 117.99 2kl4 h ILE 114 Ca -0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2kl4 h ILE 114 Cb 0.03 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2kl4 h ILE 114 CO 0.00 0.01 0.00 0.06 0.00 0.00 0.00 178.15 178.23 2kl4 h GLN 115 N -1.08 0.00 0.00 2.37 3.07 -0.36 -0.59 115.11 118.52 2kl4 h GLN 115 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2kl4 h GLN 115 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 2kl4 h GLN 115 CO 0.05 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.50 2kl4 n ASP 116 N -2.84 0.57 -0.18 0.06 2.03 -0.01 -2.75 116.55 113.42 2kl4 n ASP 116 Ca -0.00 0.65 0.10 0.00 0.52 0.00 0.00 54.79 56.06 2kl4 n ASP 116 Cb 0.21 -0.77 0.16 0.00 -0.72 0.00 0.00 41.12 40.00 2kl4 n ASP 116 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kl4 n LYS 117 N -2.14 1.47 0.00 -0.67 4.76 -0.23 -5.11 118.16 116.24 2kl4 n LYS 117 Ca 0.02 -2.64 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 2kl4 n LYS 117 Cb 0.20 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42