#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 h SER 2 N 0.00 0.41 0.00 1.61 4.64 -2.05 -3.45 113.55 114.71 2kl4 h SER 2 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2kl4 h SER 2 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2kl4 h SER 2 CO 0.00 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 2kl4 n HIS 3 N -4.92 0.00 0.02 4.77 -0.00 -1.26 -4.44 115.22 109.38 2kl4 n HIS 3 Ca 0.15 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 58.03 2kl4 n HIS 3 Cb 0.39 0.00 0.63 0.00 -0.00 0.00 0.00 29.99 31.01 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 0.11 -0.47 -1.40 0.00 -1.89 -1.21 114.93 110.07 2kl4 h MET 4 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 59.70 59.78 2kl4 h MET 4 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 31.60 31.50 2kl4 h MET 4 CO 0.00 0.07 0.05 1.05 0.00 0.00 0.00 176.91 178.08 2kl4 h GLU 5 N 0.11 0.16 -0.46 1.72 -0.00 -1.99 -1.16 114.58 112.96 2kl4 h GLU 5 Ca 0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.53 2kl4 h GLU 5 Cb 0.73 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.43 2kl4 h GLU 5 CO -0.02 0.11 0.13 0.28 -0.00 0.00 0.00 179.01 179.50 2kl4 h VAL 6 N 0.17 1.23 -1.92 -1.06 2.07 -1.61 -3.30 116.25 111.83 2kl4 h VAL 6 Ca 0.23 -0.78 -0.74 0.00 0.82 0.00 0.00 66.70 66.23 2kl4 h VAL 6 Cb 0.33 0.87 -0.30 0.00 -1.52 0.00 0.00 31.29 30.67 2kl4 h VAL 6 CO -0.35 0.28 0.74 0.49 0.02 0.00 0.00 177.57 178.76 2kl4 n PHE 7 N -4.52 3.06 0.00 1.57 3.72 -0.64 -3.96 117.46 116.69 2kl4 n PHE 7 Ca 0.01 -2.47 0.00 0.00 -0.05 0.00 0.00 57.45 54.94 2kl4 n PHE 7 Cb 0.20 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 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 -0.52 1.60 0.63 4.37 0.00 -0.53 -4.74 120.51 121.31 2kl4 n ALA 8 Ca 0.51 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.07 2kl4 n ALA 8 Cb 0.31 0.12 0.46 0.00 0.00 0.00 0.00 19.45 20.34 2kl4 n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kl4 n GLU 9 N -1.39 0.14 -0.04 0.00 1.02 -1.25 -1.60 120.64 117.52 2kl4 n GLU 9 Ca 0.00 0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 57.21 2kl4 n GLU 9 Cb 0.24 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 2kl4 n GLU 9 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2kl4 h TYR 10 N 0.00 0.12 0.00 -0.32 3.20 -1.88 -3.38 116.97 114.72 2kl4 h TYR 10 Ca 0.00 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 2kl4 h TYR 10 Cb 0.51 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2kl4 h TYR 10 CO 0.00 1.01 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.46 2kl4 h LEU 11 N -0.80 0.00 -0.56 2.82 -0.00 -1.59 -0.92 115.31 114.26 2kl4 h LEU 11 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2kl4 h LEU 11 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 2kl4 h LEU 11 CO 0.03 0.00 0.33 0.07 -0.00 0.00 0.00 178.44 178.87 2kl4 h LYS 12 N 0.00 0.76 -0.60 1.13 2.10 -1.47 -3.31 116.57 115.18 2kl4 h LYS 12 Ca -0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2kl4 h LYS 12 Cb 0.01 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 2kl4 h LYS 12 CO 0.00 0.55 0.00 0.41 -2.00 0.00 0.00 179.45 178.41 2kl4 n GLY 13 N -1.11 2.62 3.68 0.07 0.00 -0.36 -4.95 105.19 105.13 2kl4 n GLY 13 Ca 0.03 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2kl4 n GLY 13 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kl4 n ILE 14 N 1.23 0.44 -0.18 -0.61 2.08 -1.16 -4.91 119.36 116.25 2kl4 n ILE 14 Ca 0.20 -0.08 0.08 0.00 0.56 0.00 0.00 62.75 63.51 2kl4 n ILE 14 Cb 0.57 -2.05 0.38 0.00 -0.75 0.00 0.00 39.64 37.78 2kl4 n ILE 14 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2kl4 h ASP 15 N 8.74 0.62 -3.83 4.38 2.03 -1.94 -3.38 116.42 123.04 2kl4 h ASP 15 Ca -0.47 0.01 -0.66 0.00 -0.73 0.00 0.00 57.03 55.18 2kl4 h ASP 15 Cb 1.24 -0.12 -0.39 0.00 -0.83 0.00 0.00 39.33 39.22 2kl4 h ASP 15 CO 0.94 0.39 -0.47 -1.00 -1.03 0.00 0.00 179.24 178.07 2kl4 s HIS 16 N -5.63 3.45 0.53 4.15 3.76 -1.26 -4.95 115.29 115.33 2kl4 s HIS 16 Ca -0.09 -3.09 0.33 0.00 -0.15 0.00 0.00 55.06 52.05 2kl4 s HIS 16 Cb 0.20 -2.94 1.83 0.00 1.11 0.00 0.00 32.58 32.77 2kl4 s HIS 16 CO 0.77 -0.71 2.21 -1.00 -0.85 0.00 0.00 174.74 175.16 2kl4 h PRO 17 N 6.24 0.00 0.00 8.40 0.13 -1.99 -2.51 132.00 142.28 2kl4 h PRO 17 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2kl4 h PRO 17 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kl4 h PRO 17 CO 0.73 0.04 0.00 -0.44 -0.23 0.00 0.00 178.00 178.09 2kl4 h ASP 18 N 0.00 0.00 0.00 1.44 3.32 -1.97 -2.56 116.42 116.65 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 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2kl4 h ASP 18 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 2kl4 n HIS 19 N -2.59 0.00 0.17 4.55 8.25 -1.11 -4.83 115.22 119.66 2kl4 n HIS 19 Ca -0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2kl4 n HIS 19 Cb 0.17 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.69 -1.09 -0.41 2.43 -1.01 -2.73 114.38 110.89 2kl4 h ARG 20 Ca 0.00 0.05 0.29 0.00 -0.81 0.00 0.00 59.98 59.51 2kl4 h ARG 20 Cb 0.21 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.83 2kl4 h ARG 20 CO 0.00 -0.46 0.72 0.22 -1.51 0.00 0.00 179.97 178.94 2kl4 h ASP 21 N -0.71 0.34 -0.88 -3.80 1.82 -1.88 0.22 116.42 111.53 2kl4 h ASP 21 Ca 0.00 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2kl4 h ASP 21 Cb 0.69 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.68 2kl4 h ASP 21 CO -0.17 0.05 0.54 0.03 -1.61 0.00 0.00 179.24 178.08 2kl4 h ARG 22 N 0.29 1.19 -0.02 0.28 2.47 -1.84 -0.90 114.38 115.84 2kl4 h ARG 22 Ca 0.60 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 59.23 2kl4 h ARG 22 Cb 1.73 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 29.80 2kl4 h ARG 22 CO -0.25 0.82 0.01 1.15 0.56 0.00 0.00 179.97 182.26 2kl4 h THR 23 N 1.21 1.14 -0.48 2.04 2.02 -0.61 -2.91 112.91 115.33 2kl4 h THR 23 Ca 0.32 -0.41 0.13 0.00 0.77 0.00 0.00 66.41 67.21 2kl4 h THR 23 Cb -0.07 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2kl4 h THR 23 CO -0.06 0.11 0.34 -0.33 0.37 0.00 0.00 175.52 175.95 2kl4 h GLU 24 N -0.14 0.07 0.91 6.66 5.08 -1.19 -2.39 114.58 123.58 2kl4 h GLU 24 Ca 0.01 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kl4 h GLU 24 Cb 0.17 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kl4 h GLU 24 CO -0.00 0.04 -0.44 0.93 -1.00 0.00 0.00 179.01 178.55 2kl4 h GLU 25 N 0.07 -1.18 -0.92 2.33 5.08 -0.97 -2.76 114.58 116.23 2kl4 h GLU 25 Ca 0.23 0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 2kl4 h GLU 25 Cb 0.82 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 2kl4 h GLU 25 CO -0.02 -0.79 0.60 0.82 -1.00 0.00 0.00 179.01 178.63 2kl4 h ILE 26 N -1.22 1.09 0.48 3.13 2.04 -1.37 0.15 117.51 121.80 2kl4 h ILE 26 Ca -0.12 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2kl4 h ILE 26 Cb 0.94 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2kl4 h ILE 26 CO 0.21 0.20 -0.37 -0.07 0.00 0.00 0.00 178.15 178.11 2kl4 h LEU 27 N 1.07 -0.99 -1.44 1.44 3.38 -1.47 -1.96 115.31 115.34 2kl4 h LEU 27 Ca 0.39 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 2kl4 h LEU 27 Cb 0.16 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kl4 h LEU 27 CO -0.14 -0.53 -0.14 0.28 0.09 0.00 0.00 178.44 178.00 2kl4 h SER 28 N -0.82 0.18 -0.58 -0.43 0.02 -1.17 -2.90 113.55 107.86 2kl4 h SER 28 Ca -0.06 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2kl4 h SER 28 Cb 0.68 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 2kl4 h SER 28 CO 0.01 0.35 0.29 -0.25 -1.14 0.00 0.00 176.83 176.08 2kl4 h TRP 29 N 0.18 0.83 -0.40 3.45 7.01 -0.56 -2.60 115.95 123.86 2kl4 h TRP 29 Ca 0.04 -0.04 -0.14 0.00 2.11 0.00 0.00 58.89 60.86 2kl4 h TRP 29 Cb 0.37 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2kl4 h TRP 29 CO 0.00 0.63 -0.31 -0.39 -2.79 0.00 0.00 178.44 175.58 2kl4 h VAL 30 N 0.79 1.27 -0.43 2.65 -1.51 -1.15 -0.61 116.25 117.26 2kl4 h VAL 30 Ca 0.20 -1.48 0.12 0.00 -1.23 0.00 0.00 66.70 64.32 2kl4 h VAL 30 Cb 0.11 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 2kl4 h VAL 30 CO -0.03 0.50 0.50 0.00 -1.23 0.00 0.00 177.57 177.31 2kl4 h ALA 31 N 0.79 2.13 0.00 5.19 0.00 -1.40 0.68 119.26 126.64 2kl4 h ALA 31 Ca 0.07 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 2kl4 h ALA 31 Cb 0.90 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2kl4 h ALA 31 CO 0.08 -0.72 -2.08 0.00 0.00 0.00 0.00 179.25 176.53 2kl4 n ALA 32 N -2.30 1.79 -0.06 0.00 0.00 -0.94 -4.12 120.51 114.89 2kl4 n ALA 32 Ca 0.08 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.32 2kl4 n ALA 32 Cb 0.67 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 2kl4 n ALA 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kl4 n THR 33 N -2.73 1.65 -2.87 0.00 -1.04 -0.28 -4.60 114.28 104.40 2kl4 n THR 33 Ca -0.22 -0.61 -0.27 0.00 -2.04 0.00 0.00 64.05 60.91 2kl4 n THR 33 Cb 1.00 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 2kl4 n THR 33 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kl4 n PHE 34 N -3.40 3.92 0.22 -1.42 3.72 0.22 -4.94 117.46 115.78 2kl4 n PHE 34 Ca -0.39 -3.86 0.10 0.00 -0.05 0.00 0.00 57.45 53.25 2kl4 n PHE 34 Cb 1.02 -0.43 0.48 0.00 -0.94 0.00 0.00 39.48 39.61 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 -0.28 0.13 0.26 -1.08 -0.04 -1.22 -1.26 135.00 131.51 2kl4 n PRO 35 Ca 0.32 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.46 2kl4 n PRO 35 Cb 0.44 -1.86 0.71 0.00 -0.04 0.00 0.00 33.50 32.75 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 -3.96 3.54 -1.24 -1.92 -3.43 115.58 108.57 2kl4 h ASN 36 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2kl4 h ASN 36 Cb 0.11 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.19 2kl4 h ASN 36 CO 0.00 0.12 0.43 -0.76 -1.29 0.00 0.00 177.43 175.93 2kl4 s LEU 37 N -6.96 4.14 0.13 0.34 1.43 -0.39 -3.33 118.68 114.05 2kl4 s LEU 37 Ca -0.02 2.12 0.10 0.00 -1.03 0.00 0.00 54.13 55.30 2kl4 s LEU 37 Cb 0.12 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2kl4 s LEU 37 CO 0.57 -0.56 -0.21 -1.61 0.23 0.00 0.00 176.35 174.78 2kl4 s GLU 38 N -2.46 1.66 0.24 1.70 0.41 0.62 -4.88 118.70 115.99 2kl4 s GLU 38 Ca 0.58 -1.26 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 2kl4 s GLU 38 Cb -0.24 -2.03 -0.09 0.00 -1.78 0.00 0.00 34.13 29.99 2kl4 s GLU 38 CO 0.30 0.46 0.93 -1.25 -0.49 0.00 0.00 175.26 175.22 2kl4 s PRO 39 N -2.18 4.82 -0.32 0.39 0.04 -1.26 -0.86 135.00 135.63 2kl4 s PRO 39 Ca 0.17 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.68 2kl4 s PRO 39 Cb -0.10 -3.25 0.19 0.00 0.04 0.00 0.00 34.50 31.38 2kl4 s PRO 39 CO 0.09 0.51 0.75 -1.14 0.04 0.00 0.00 177.00 177.24 2kl4 s GLN 40 N -1.23 0.49 0.23 4.56 0.74 -1.17 -4.89 119.66 118.38 2kl4 s GLN 40 Ca 0.41 0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 2kl4 s GLN 40 Cb -0.25 0.15 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 2kl4 s GLN 40 CO 0.31 -0.83 1.26 0.00 -0.55 0.00 0.00 175.29 175.48 2kl4 s MET 41 N 2.53 4.43 0.05 1.67 0.23 -1.26 -3.99 119.30 122.96 2kl4 s MET 41 Ca 0.16 2.02 -0.14 0.00 -1.03 0.00 0.00 55.69 56.70 2kl4 s MET 41 Cb -0.05 -3.18 0.02 0.00 -1.53 0.00 0.00 34.83 30.09 2kl4 s MET 41 CO -0.20 -0.15 0.32 0.21 -2.03 0.00 0.00 175.02 173.18 2kl4 s LYS 42 N -0.65 0.84 -1.28 3.16 2.20 -0.15 -4.88 119.74 118.97 2kl4 s LYS 42 Ca 0.53 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.58 2kl4 s LYS 42 Cb -0.36 0.37 0.03 0.00 -1.51 0.00 0.00 37.83 36.36 2kl4 s LYS 42 CO 0.41 -0.28 0.33 0.91 -0.36 0.00 0.00 175.35 176.36 2kl4 n TRP 43 N 0.50 -1.67 -1.49 4.03 7.02 -1.26 -0.75 117.44 123.82 2kl4 n TRP 43 Ca -0.18 0.30 -0.17 0.00 -1.02 0.00 0.00 57.50 56.43 2kl4 n TRP 43 Cb 0.60 -3.24 -0.07 0.00 -2.42 0.00 0.00 31.31 26.18 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 -2.16 -5.35 -4.25 -0.99 5.15 -1.26 -4.98 115.26 101.41 2kl4 n ASN 44 Ca -0.09 0.42 -0.17 0.00 -0.60 0.00 0.00 54.58 54.14 2kl4 n ASN 44 Cb 0.59 -4.35 -0.11 0.00 -0.53 0.00 0.00 39.78 35.38 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 -2.52 1.34 -0.16 -0.44 -4.23 0.07 -4.99 115.64 104.71 2kl4 s THR 45 Ca 0.00 -1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 58.40 2kl4 s THR 45 Cb 0.00 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 2kl4 s THR 45 CO 0.00 -0.49 1.23 -2.16 -0.54 0.00 0.00 174.62 172.66 2kl4 s PRO 46 N -2.93 4.25 0.14 3.99 0.04 -1.25 -0.98 135.00 138.26 2kl4 s PRO 46 Ca 0.11 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2kl4 s PRO 46 Cb -0.03 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2kl4 s PRO 46 CO 0.03 -0.66 -0.03 0.00 0.04 0.00 0.00 177.00 176.38 2kl4 s MET 47 N 3.29 1.01 0.32 4.56 0.23 -1.26 -2.35 119.30 125.10 2kl4 s MET 47 Ca 0.54 -1.46 0.05 0.00 -1.03 0.00 0.00 55.69 53.79 2kl4 s MET 47 Cb -0.21 -0.26 -0.06 0.00 -1.53 0.00 0.00 34.83 32.76 2kl4 s MET 47 CO 0.15 -0.08 0.01 -0.06 -2.03 0.00 0.00 175.02 173.01 2kl4 s PHE 48 N -3.63 2.06 -0.07 3.16 0.40 -1.22 -3.07 117.98 115.61 2kl4 s PHE 48 Ca 0.19 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 2kl4 s PHE 48 Cb 0.06 -1.31 0.03 0.00 0.51 0.00 0.00 43.02 42.30 2kl4 s PHE 48 CO 0.01 0.17 -0.02 -1.54 0.70 0.00 0.00 175.22 174.54 2kl4 s SER 49 N -3.51 1.59 -0.80 1.36 1.04 -0.04 -4.21 113.70 109.13 2kl4 s SER 49 Ca 0.34 -0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 2kl4 s SER 49 Cb 0.07 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 2kl4 s SER 49 CO 0.15 -0.16 1.99 0.21 0.98 0.00 0.00 173.24 176.41 2kl4 s ASN 50 N 1.74 5.02 -1.26 7.02 2.47 -1.25 -0.28 114.94 128.41 2kl4 s ASN 50 Ca 0.02 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.02 2kl4 s ASN 50 Cb -0.13 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 2kl4 s ASN 50 CO -0.05 -2.77 0.00 0.00 -3.72 0.00 0.00 177.10 170.56 2kl4 n GLN 51 N 8.94 -2.00 0.00 0.43 6.02 -1.21 -2.53 117.38 127.03 2kl4 n GLN 51 Ca 0.36 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 58.06 2kl4 n GLN 51 Cb 0.48 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.46 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 -0.77 1.87 3.58 1.08 0.00 -1.24 -5.11 105.19 104.59 2kl4 n GLY 52 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.00 -0.85 2.61 -1.04 -1.05 -4.92 114.28 109.03 2kl4 n THR 53 Ca 0.00 -0.88 0.08 0.00 -2.04 0.00 0.00 64.05 61.21 2kl4 n THR 53 Cb 0.00 -1.52 0.24 0.00 -1.82 0.00 0.00 70.33 67.23 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 -3.78 0.85 1.11 -1.42 7.35 -1.26 -3.81 117.46 116.50 2kl4 n PHE 54 Ca 0.15 -0.81 0.00 0.00 -0.76 0.00 0.00 57.45 56.03 2kl4 n PHE 54 Cb 0.54 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 40.10 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 -0.34 0.00 -3.58 -2.13 5.41 -1.26 -4.65 119.36 112.81 2kl4 n ILE 55 Ca 0.20 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.81 2kl4 n ILE 55 Cb 0.81 -0.22 -0.06 0.00 -0.71 0.00 0.00 39.64 39.46 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 -1.75 0.00 -0.13 1.39 2.07 -1.05 -4.22 121.20 117.51 2kl4 s ILE 56 Ca 0.00 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 2kl4 s ILE 56 Cb 0.00 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.71 2kl4 s ILE 56 CO 0.00 0.00 0.94 -0.83 -1.91 0.00 0.00 174.94 173.14 2kl4 s GLY 57 N -0.61 -0.33 0.38 1.50 0.00 -1.04 -3.40 107.32 103.81 2kl4 s GLY 57 Ca -0.04 1.83 -0.07 0.00 0.00 0.00 0.00 44.72 46.44 2kl4 s GLY 57 CO 0.04 0.95 0.62 1.97 0.00 0.00 0.00 173.10 176.67 2kl4 n PHE 58 N 0.65 -1.84 0.00 1.90 -1.74 -0.99 -2.85 117.46 112.59 2kl4 n PHE 58 Ca -0.11 -2.20 0.00 0.00 -0.56 0.00 0.00 57.45 54.58 2kl4 n PHE 58 Cb 0.58 0.71 0.00 0.00 1.52 0.00 0.00 39.48 42.29 2kl4 n PHE 58 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kl4 n SER 59 N -1.58 0.00 -4.75 5.98 2.88 -1.10 -3.93 113.62 111.12 2kl4 n SER 59 Ca -0.03 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.13 2kl4 n SER 59 Cb 0.60 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2kl4 n SER 59 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kl4 s THR 60 N -1.71 2.33 0.27 2.46 -4.23 -1.26 -2.99 115.64 110.50 2kl4 s THR 60 Ca 0.00 0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2kl4 s THR 60 Cb 0.00 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 2kl4 s THR 60 CO 0.00 -0.01 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.59 2kl4 s SER 61 N -1.12 2.59 0.16 3.99 0.01 0.37 -4.92 113.70 114.78 2kl4 s SER 61 Ca 0.71 -1.20 0.13 0.00 1.31 0.00 0.00 55.95 56.89 2kl4 s SER 61 Cb -0.37 -0.13 0.65 0.00 0.21 0.00 0.00 66.02 66.38 2kl4 s SER 61 CO 0.43 -0.39 1.39 1.17 0.41 0.00 0.00 173.24 176.26 2kl4 n LYS 62 N -0.56 0.08 0.00 12.44 3.00 -1.26 -2.82 118.16 129.04 2kl4 n LYS 62 Ca -0.05 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 2kl4 n LYS 62 Cb 0.64 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.93 2kl4 n LYS 62 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2kl4 n HIS 63 N -1.90 0.00 -3.82 5.64 -0.00 -1.26 -5.14 115.22 108.74 2kl4 n HIS 63 Ca -0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 2kl4 n HIS 63 Cb 0.05 0.09 0.03 0.00 -0.12 0.00 0.00 29.99 30.04 2kl4 n HIS 63 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kl4 n HIS 64 N 0.00 -2.08 -4.27 1.57 1.44 -1.13 -3.22 115.22 107.53 2kl4 n HIS 64 Ca 0.00 -1.69 -0.20 0.00 -2.01 0.00 0.00 57.72 53.82 2kl4 n HIS 64 Cb 0.46 0.84 -0.11 0.00 0.12 0.00 0.00 29.99 31.29 2kl4 n HIS 64 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2kl4 s LEU 65 N 0.00 2.40 -0.08 2.39 1.98 0.09 -0.48 118.68 124.98 2kl4 s LEU 65 Ca 0.18 -0.81 -0.00 0.00 -2.89 0.00 0.00 54.13 50.61 2kl4 s LEU 65 Cb -0.04 -0.67 0.02 0.00 0.66 0.00 0.00 46.19 46.16 2kl4 s LEU 65 CO 0.10 -0.09 -0.05 -0.94 -1.89 0.00 0.00 176.35 173.48 2kl4 s SER 66 N -2.44 1.74 -0.03 3.68 1.04 -1.16 -1.26 113.70 115.27 2kl4 s SER 66 Ca 0.10 -0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 2kl4 s SER 66 Cb -0.06 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.42 2kl4 s SER 66 CO 0.04 -0.11 0.15 0.54 0.98 0.00 0.00 173.24 174.84 2kl4 s VAL 67 N 1.53 0.05 0.22 5.02 0.11 -1.00 -2.73 120.40 123.60 2kl4 s VAL 67 Ca -0.00 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.45 2kl4 s VAL 67 Cb -0.13 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2kl4 s VAL 67 CO -0.05 -0.21 0.66 -0.55 -3.33 0.00 0.00 175.10 171.63 2kl4 s SER 68 N -0.72 -0.41 -0.12 3.54 0.15 -1.13 -0.27 113.70 114.74 2kl4 s SER 68 Ca -0.08 -0.31 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 2kl4 s SER 68 Cb -0.05 0.67 -0.07 0.00 -1.71 0.00 0.00 66.02 64.85 2kl4 s SER 68 CO 0.01 -1.16 0.18 1.55 1.20 0.00 0.00 173.24 175.02 2kl4 h PRO 69 N 2.00 0.00 0.00 5.44 0.13 -1.87 -2.75 132.00 134.94 2kl4 h PRO 69 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kl4 h PRO 69 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kl4 h PRO 69 CO 0.30 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 2kl4 n GLU 70 N -4.71 0.00 0.00 0.86 1.02 -1.26 -2.54 120.64 114.01 2kl4 n GLU 70 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2kl4 n GLU 70 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 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 -0.38 0.61 -0.30 3.49 0.28 -1.26 -4.79 120.64 118.28 2kl4 n GLU 71 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 2kl4 n GLU 71 Cb 0.00 -0.19 0.07 0.00 1.43 0.00 0.00 31.44 32.75 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 1.26 0.00 3.84 2.10 -1.98 0.24 117.51 122.98 2kl4 h ILE 72 Ca 0.00 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.18 2kl4 h ILE 72 Cb 0.00 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 35.96 2kl4 h ILE 72 CO 0.00 0.32 0.00 0.61 -1.08 0.00 0.00 178.15 178.00 2kl4 n GLY 73 N -0.96 -0.57 0.13 8.18 0.00 -1.26 -0.60 105.19 110.12 2kl4 n GLY 73 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2kl4 n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kl4 n ILE 74 N -1.64 0.00 0.00 -0.61 2.08 -0.04 -4.26 119.36 114.89 2kl4 n ILE 74 Ca -0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2kl4 n ILE 74 Cb 0.01 1.07 0.00 0.00 -0.75 0.00 0.00 39.64 39.97 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 0.13 0.04 -0.05 4.38 7.64 -0.30 -4.52 113.62 120.94 2kl4 n SER 75 Ca 0.02 0.01 -0.04 0.00 1.01 0.00 0.00 58.87 59.87 2kl4 n SER 75 Cb 0.09 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.02 0.00 1.43 5.75 -1.11 -3.31 115.11 117.85 2kl4 h GLN 76 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kl4 h GLN 76 Cb 0.68 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.23 2kl4 h GLN 76 CO 0.00 0.24 0.00 1.19 -2.65 0.00 0.00 178.83 177.61 2kl4 n PHE 77 N -4.75 0.00 0.28 3.99 3.01 -1.16 -3.80 117.46 115.03 2kl4 n PHE 77 Ca -0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 2kl4 n PHE 77 Cb 0.13 -0.04 0.81 0.00 -0.01 0.00 0.00 39.48 40.37 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 3.29 1.45 0.04 4.37 0.00 -1.74 -1.74 119.26 124.93 2kl4 h ALA 78 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kl4 h ALA 78 Cb 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kl4 h ALA 78 CO 0.00 0.08 -0.28 0.22 0.00 0.00 0.00 179.25 179.27 2kl4 h ASP 79 N 0.00 0.17 -0.73 0.00 1.82 -1.83 -1.74 116.42 114.12 2kl4 h ASP 79 Ca -0.00 -0.94 -0.02 0.00 -0.39 0.00 0.00 57.03 55.68 2kl4 h ASP 79 Cb 0.16 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.08 2kl4 h ASP 79 CO 0.01 1.10 0.38 0.00 -1.61 0.00 0.00 179.24 179.12 2kl4 h ALA 80 N 0.08 1.27 0.03 -0.78 0.00 -1.78 0.63 119.26 118.72 2kl4 h ALA 80 Ca -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kl4 h ALA 80 Cb 1.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kl4 h ALA 80 CO 0.05 0.58 -0.02 0.82 0.00 0.00 0.00 179.25 180.68 2kl4 h ILE 81 N 1.05 1.00 0.06 0.00 2.04 -1.40 -2.99 117.51 117.26 2kl4 h ILE 81 Ca 0.26 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 2kl4 h ILE 81 Cb 0.06 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2kl4 h ILE 81 CO -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 178.15 178.11 2kl4 h ALA 82 N 0.88 -0.08 0.00 1.87 0.00 -0.43 -2.61 119.26 118.89 2kl4 h ALA 82 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kl4 h ALA 82 Cb 0.07 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kl4 h ALA 82 CO 0.01 -0.53 -0.00 1.96 0.00 0.00 0.00 179.25 180.69 2kl4 h GLN 83 N -0.10 0.00 0.00 0.00 4.20 -0.98 0.91 115.11 119.14 2kl4 h GLN 83 Ca -0.01 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2kl4 h GLN 83 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2kl4 h GLN 83 CO 0.01 0.00 -0.41 0.00 -0.67 0.00 0.00 178.83 177.77 2kl4 h ALA 84 N 2.00 1.04 0.00 3.87 0.00 -1.31 -3.47 119.26 121.39 2kl4 h ALA 84 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kl4 h ALA 84 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kl4 h ALA 84 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2kl4 n GLY 85 N 0.12 1.01 3.55 0.00 0.00 0.31 -5.13 105.19 105.06 2kl4 n GLY 85 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.74 3.18 -2.00 1.61 2.02 -1.12 -5.01 117.35 114.29 2kl4 s TYR 86 Ca 0.00 -0.09 0.17 0.00 -0.37 0.00 0.00 57.07 56.78 2kl4 s TYR 86 Cb 0.00 -2.26 1.03 0.00 -0.40 0.00 0.00 41.96 40.33 2kl4 s TYR 86 CO 0.00 -0.16 1.57 0.43 -1.57 0.00 0.00 175.55 175.82 2kl4 n SER 87 N 4.66 0.00 -0.27 2.29 7.64 -1.26 -3.71 113.62 122.98 2kl4 n SER 87 Ca -0.15 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.52 2kl4 n SER 87 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2kl4 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 n ALA 88 N -0.81 0.00 -3.00 -0.43 0.00 -1.26 -5.02 120.51 109.99 2kl4 n ALA 88 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kl4 n ALA 88 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2kl4 n ALA 88 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kl4 n THR 89 N -0.54 0.00 1.97 0.00 -2.24 -0.17 -4.68 114.28 108.62 2kl4 n THR 89 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2kl4 n THR 89 Cb 0.00 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 68.67 2kl4 n THR 89 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kl4 n LYS 90 N 0.00 0.99 0.00 -0.78 0.00 -1.26 -4.49 118.16 112.62 2kl4 n LYS 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2kl4 n LYS 90 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 33.79 2kl4 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kl4 n GLY 91 N 0.72 0.43 3.51 3.14 0.00 -1.26 -5.02 105.19 106.70 2kl4 n GLY 91 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.53 -0.15 0.99 0.05 -1.26 -4.61 118.68 114.23 2kl4 s LEU 92 Ca 0.00 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.12 2kl4 s LEU 92 Cb 0.00 1.48 -0.00 0.00 -2.05 0.00 0.00 46.19 45.62 2kl4 s LEU 92 CO 0.00 -1.10 -0.15 0.72 -0.55 0.00 0.00 176.35 175.27 2kl4 s PHE 93 N -3.96 2.78 0.18 3.48 -0.12 0.63 -1.00 117.98 119.98 2kl4 s PHE 93 Ca 0.26 -1.01 -0.30 0.00 -0.05 0.00 0.00 56.93 55.83 2kl4 s PHE 93 Cb 0.01 -1.88 -0.08 0.00 -0.63 0.00 0.00 43.02 40.43 2kl4 s PHE 93 CO 0.10 -0.45 1.21 0.50 -0.05 0.00 0.00 175.22 176.53 2kl4 s ARG 94 N 0.78 4.47 0.03 1.99 3.00 -1.26 -2.37 118.95 125.59 2kl4 s ARG 94 Ca -0.06 1.89 0.07 0.00 -1.00 0.00 0.00 55.73 56.63 2kl4 s ARG 94 Cb -0.15 -3.24 -0.02 0.00 0.00 0.00 0.00 34.95 31.54 2kl4 s ARG 94 CO 0.01 -0.12 -0.19 0.42 0.00 0.00 0.00 175.30 175.42 2kl4 s ILE 95 N 0.02 1.53 0.83 4.11 -1.09 -0.39 -4.73 121.20 121.49 2kl4 s ILE 95 Ca 0.54 -1.06 -0.11 0.00 -2.23 0.00 0.00 60.65 57.78 2kl4 s ILE 95 Cb -0.33 -1.32 0.09 0.00 -1.58 0.00 0.00 42.46 39.32 2kl4 s ILE 95 CO 0.36 0.23 1.09 -2.16 -1.23 0.00 0.00 174.94 173.24 2kl4 s PRO 96 N -0.97 1.80 0.22 2.79 0.04 -1.26 -0.73 135.00 136.89 2kl4 s PRO 96 Ca 0.07 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 2kl4 s PRO 96 Cb -0.08 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.80 2kl4 s PRO 96 CO 0.01 -1.87 1.57 -1.49 0.04 0.00 0.00 177.00 175.26 2kl4 h TRP 97 N -1.28 0.58 0.62 0.56 -0.00 -1.86 -3.36 115.95 111.21 2kl4 h TRP 97 Ca -0.47 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.89 58.20 2kl4 h TRP 97 Cb 1.26 -0.12 0.01 0.00 -0.00 0.00 0.00 29.16 30.31 2kl4 h TRP 97 CO 0.48 0.87 -0.30 -0.97 -0.00 0.00 0.00 178.44 178.52 2kl4 h ASN 98 N 0.37 -0.71 -4.39 -3.49 -1.24 -1.94 -3.46 115.58 100.73 2kl4 h ASN 98 Ca 0.02 0.02 -0.50 0.00 0.71 0.00 0.00 56.30 56.55 2kl4 h ASN 98 Cb 1.00 0.18 0.08 0.00 0.73 0.00 0.00 38.32 40.32 2kl4 h ASN 98 CO 0.09 -0.31 0.39 -0.62 -1.29 0.00 0.00 177.43 175.69 2kl4 s ASP 99 N -4.60 5.43 0.76 1.15 2.15 -1.26 -5.04 116.67 115.26 2kl4 s ASP 99 Ca -0.12 1.31 -0.12 0.00 0.43 0.00 0.00 52.55 54.05 2kl4 s ASP 99 Cb 0.01 -2.16 0.05 0.00 -0.30 0.00 0.00 42.92 40.52 2kl4 s ASP 99 CO 0.37 -1.37 1.11 -2.16 -0.17 0.00 0.00 175.17 172.95 2kl4 s PRO 100 N -5.23 2.40 -0.07 4.34 0.04 -1.26 -4.63 135.00 130.59 2kl4 s PRO 100 Ca 0.58 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.93 2kl4 s PRO 100 Cb -0.12 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2kl4 s PRO 100 CO 0.53 -1.36 0.41 0.08 0.04 0.00 0.00 177.00 176.70 2kl4 s VAL 101 N -3.32 5.14 -1.24 -0.36 1.01 -1.26 -4.83 120.40 115.54 2kl4 s VAL 101 Ca 0.60 0.81 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 2kl4 s VAL 101 Cb -0.12 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2kl4 s VAL 101 CO 0.52 0.46 1.92 1.57 0.00 0.00 0.00 175.10 179.58 2kl4 n HIS 102 N 2.75 3.60 -0.23 5.22 -0.00 -1.26 -4.81 115.22 120.49 2kl4 n HIS 102 Ca -0.11 -2.42 -0.01 0.00 0.46 0.00 0.00 57.72 55.63 2kl4 n HIS 102 Cb 0.52 -2.49 0.10 0.00 -0.12 0.00 0.00 29.99 28.00 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 0.65 0.00 1.57 -1.99 -1.99 -2.58 116.97 120.36 2kl4 h TYR 103 Ca 0.42 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.14 2kl4 h TYR 103 Cb 0.80 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.34 2kl4 h TYR 103 CO 1.36 0.30 -0.16 1.49 -0.00 0.00 0.00 178.16 181.15 2kl4 h GLU 104 N 0.65 0.00 0.02 4.88 4.81 -1.99 0.10 114.58 123.04 2kl4 h GLU 104 Ca 0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2kl4 h GLU 104 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2kl4 h GLU 104 CO -0.19 0.16 -0.01 1.25 -0.73 0.00 0.00 179.01 179.49 2kl4 h LEU 105 N 0.00 -0.02 -2.41 1.64 7.12 -1.89 -3.16 115.31 116.58 2kl4 h LEU 105 Ca -0.00 -0.58 0.02 0.00 0.13 0.00 0.00 57.88 57.45 2kl4 h LEU 105 Cb 0.38 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 2kl4 h LEU 105 CO 0.02 0.75 0.08 0.17 -0.13 0.00 0.00 178.44 179.32 2kl4 h LEU 106 N -0.98 0.00 0.30 2.25 8.10 -1.22 -1.67 115.31 122.10 2kl4 h LEU 106 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2kl4 h LEU 106 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 2kl4 h LEU 106 CO 0.00 0.00 -0.14 0.50 -4.11 0.00 0.00 178.44 174.69 2kl4 h LYS 107 N 0.00 -0.38 -0.43 0.17 3.64 -1.07 -3.21 116.57 115.28 2kl4 h LYS 107 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2kl4 h LYS 107 Cb 0.18 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2kl4 h LYS 107 CO -0.00 -0.09 0.22 1.96 -2.27 0.00 0.00 179.45 179.27 2kl4 h GLN 108 N -0.67 0.42 -0.13 1.90 4.20 -1.26 -2.04 115.11 117.53 2kl4 h GLN 108 Ca -0.04 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2kl4 h GLN 108 Cb 0.47 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2kl4 h GLN 108 CO 0.07 0.28 -0.25 0.00 -0.67 0.00 0.00 178.83 178.26 2kl4 h MET 109 N 0.44 0.24 0.02 1.46 -0.00 -1.68 -0.00 114.93 115.41 2kl4 h MET 109 Ca 0.19 -0.08 -0.15 0.00 -0.00 0.00 0.00 59.70 59.66 2kl4 h MET 109 Cb 0.09 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 31.68 2kl4 h MET 109 CO -0.13 0.48 -0.58 0.97 -0.00 0.00 0.00 176.91 177.65 2kl4 h ILE 110 N 0.22 1.46 -0.55 -0.10 -0.00 -1.48 -2.73 117.51 114.33 2kl4 h ILE 110 Ca 0.04 -2.13 -0.02 0.00 -0.00 0.00 0.00 64.86 62.75 2kl4 h ILE 110 Cb 0.57 2.72 -0.03 0.00 -0.00 0.00 0.00 36.82 40.08 2kl4 h ILE 110 CO 0.04 0.61 0.28 -0.33 -0.00 0.00 0.00 178.15 178.75 2kl4 h GLU 111 N -0.20 0.78 -0.27 2.19 4.39 -1.23 -1.91 114.58 118.33 2kl4 h GLU 111 Ca -0.08 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.54 2kl4 h GLU 111 Cb 1.32 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2kl4 h GLU 111 CO 0.11 0.63 0.11 0.35 -1.16 0.00 0.00 179.01 179.05 2kl4 h PHE 112 N 0.74 0.20 -0.96 4.33 3.57 -1.09 -1.47 116.94 122.25 2kl4 h PHE 112 Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2kl4 h PHE 112 Cb 0.09 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 2kl4 h PHE 112 CO -0.01 0.10 0.63 -0.97 -2.23 0.00 0.00 178.31 175.84 2kl4 h ASN 113 N 0.24 1.07 0.20 0.41 -0.73 -1.11 -0.03 115.58 115.63 2kl4 h ASN 113 Ca 0.11 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 2kl4 h ASN 113 Cb 0.06 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.40 2kl4 h ASN 113 CO -0.10 0.74 -0.10 0.40 -0.37 0.00 0.00 177.43 178.01 2kl4 h ILE 114 N 1.25 0.82 0.00 2.57 2.04 -1.03 -2.57 117.51 120.59 2kl4 h ILE 114 Ca 0.37 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2kl4 h ILE 114 Cb -0.05 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2kl4 h ILE 114 CO -0.11 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.06 2kl4 n GLN 115 N -5.19 0.29 -0.07 2.37 10.64 -0.58 -1.86 117.38 122.99 2kl4 n GLN 115 Ca -0.09 0.10 0.12 0.00 -1.83 0.00 0.00 57.00 55.30 2kl4 n GLN 115 Cb 0.15 -1.50 0.33 0.00 -0.86 0.00 0.00 30.24 28.35 2kl4 n GLN 115 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2kl4 n ASP 116 N -1.25 2.24 -0.25 2.61 2.03 -0.10 -4.23 116.55 117.60 2kl4 n ASP 116 Ca 0.09 -1.77 0.05 0.00 0.52 0.00 0.00 54.79 53.68 2kl4 n ASP 116 Cb 0.13 -0.09 0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.72 0.74 0.00 -0.67 4.76 -0.78 -5.05 118.16 117.88 2kl4 n LYS 117 Ca 0.17 -1.79 0.02 0.00 -2.87 0.00 0.00 58.31 53.84 2kl4 n LYS 117 Cb 0.44 -1.01 0.12 0.00 -1.84 0.00 0.00 35.03 32.74 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42