#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 n SER 2 N 0.00 1.43 0.00 1.61 7.64 -1.26 -4.87 113.62 118.17 2kl4 n SER 2 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2kl4 n SER 2 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 2kl4 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 n HIS 3 N -2.19 0.00 0.29 1.43 -0.00 -1.26 -4.78 115.22 108.71 2kl4 n HIS 3 Ca 0.15 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.01 2kl4 n HIS 3 Cb 0.49 0.00 0.87 0.00 -0.00 0.00 0.00 29.99 31.35 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 0.17 -1.40 0.00 -1.98 -1.62 114.93 110.11 2kl4 h MET 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 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 0.02 -0.17 0.93 0.00 0.00 0.00 176.91 177.69 2kl4 h GLU 5 N 0.00 -0.36 -0.56 1.72 5.08 -2.00 -1.88 114.58 116.58 2kl4 h GLU 5 Ca -0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2kl4 h GLU 5 Cb 0.05 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2kl4 h GLU 5 CO 0.00 -0.24 0.35 0.28 -1.00 0.00 0.00 179.01 178.41 2kl4 h VAL 6 N -0.37 1.10 0.00 3.13 2.07 -1.70 -2.46 116.25 118.02 2kl4 h VAL 6 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2kl4 h VAL 6 Cb 0.35 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2kl4 h VAL 6 CO -0.04 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.17 2kl4 n PHE 7 N -4.73 0.60 -0.14 1.57 3.72 -1.09 -3.90 117.46 113.49 2kl4 n PHE 7 Ca 0.04 0.19 -0.09 0.00 -0.05 0.00 0.00 57.45 57.54 2kl4 n PHE 7 Cb 0.05 -0.81 -0.01 0.00 -0.94 0.00 0.00 39.48 37.76 2kl4 n PHE 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 h ALA 8 N 2.56 0.52 0.00 4.37 0.00 -0.83 -0.77 119.26 125.12 2kl4 h ALA 8 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kl4 h ALA 8 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kl4 h ALA 8 CO 0.00 0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.82 2kl4 n GLU 9 N -4.58 0.04 -0.06 0.00 1.02 -1.25 -0.71 120.64 115.09 2kl4 n GLU 9 Ca -0.00 0.17 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2kl4 n GLU 9 Cb 0.19 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.00 -0.82 -0.32 3.20 -1.61 -3.42 116.97 114.00 2kl4 h TYR 10 Ca 0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2kl4 h TYR 10 Cb 0.29 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 2kl4 h TYR 10 CO 0.00 0.34 0.53 -0.07 -1.64 0.00 0.00 178.16 177.32 2kl4 h LEU 11 N -1.00 0.73 -1.99 2.82 -0.00 -0.34 -1.30 115.31 114.23 2kl4 h LEU 11 Ca -0.03 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.10 2kl4 h LEU 11 Cb 0.44 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2kl4 h LEU 11 CO -0.02 0.45 0.61 0.07 -0.00 0.00 0.00 178.44 179.55 2kl4 h LYS 12 N 0.82 0.00 -0.29 1.13 2.10 -1.16 -1.77 116.57 117.40 2kl4 h LYS 12 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 2kl4 h LYS 12 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2kl4 h LYS 12 CO -0.14 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.72 2kl4 n GLY 13 N -1.70 1.27 3.56 0.07 0.00 -0.49 -4.87 105.19 103.04 2kl4 n GLY 13 Ca 0.17 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.64 3.56 -1.94 -0.61 1.01 -0.67 -4.82 121.20 116.09 2kl4 s ILE 14 Ca 0.36 0.42 0.09 0.00 0.00 0.00 0.00 60.65 61.52 2kl4 s ILE 14 Cb 0.21 -4.20 0.25 0.00 0.01 0.00 0.00 42.46 38.73 2kl4 s ILE 14 CO 0.30 -1.06 1.01 0.47 0.00 0.00 0.00 174.94 175.66 2kl4 n ASP 15 N 10.97 0.00 -3.23 3.58 8.00 -1.26 -3.75 116.55 130.85 2kl4 n ASP 15 Ca 0.16 -0.24 -0.29 0.00 0.71 0.00 0.00 54.79 55.13 2kl4 n ASP 15 Cb 0.50 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.52 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kl4 n HIS 16 N -1.03 3.72 0.28 1.24 8.25 -1.26 -4.92 115.22 121.50 2kl4 n HIS 16 Ca 0.07 -3.87 0.17 0.00 -0.26 0.00 0.00 57.72 53.82 2kl4 n HIS 16 Cb 0.04 -0.61 0.84 0.00 1.12 0.00 0.00 29.99 31.37 2kl4 n HIS 16 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kl4 h PRO 17 N 3.65 0.00 0.00 -0.41 0.13 -1.99 -1.62 132.00 131.75 2kl4 h PRO 17 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2kl4 h PRO 17 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2kl4 h PRO 17 CO 0.88 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.40 2kl4 n ASP 18 N -2.69 0.57 0.00 1.44 8.00 -1.26 -3.56 116.55 119.05 2kl4 n ASP 18 Ca -0.01 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2kl4 n ASP 18 Cb 0.11 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2kl4 n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kl4 n HIS 19 N -2.16 0.00 0.29 1.24 -0.00 -0.69 -4.94 115.22 108.96 2kl4 n HIS 19 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.56 2kl4 n HIS 19 Cb 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.08 2kl4 n HIS 19 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kl4 h ARG 20 N 0.00 -0.90 -0.65 -0.41 2.43 -1.38 -2.63 114.38 110.84 2kl4 h ARG 20 Ca 0.00 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.40 2kl4 h ARG 20 Cb 0.44 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2kl4 h ARG 20 CO 0.00 -0.60 0.45 0.22 -1.51 0.00 0.00 179.97 178.53 2kl4 h ASP 21 N -0.94 0.11 -0.88 -3.80 3.58 -1.88 0.65 116.42 113.26 2kl4 h ASP 21 Ca -0.05 0.01 0.18 0.00 0.42 0.00 0.00 57.03 57.58 2kl4 h ASP 21 Cb 0.81 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.78 2kl4 h ASP 21 CO -0.03 0.05 0.58 0.03 -2.88 0.00 0.00 179.24 176.99 2kl4 h ARG 22 N 0.11 0.49 -0.12 0.28 2.47 -1.84 0.13 114.38 115.90 2kl4 h ARG 22 Ca 0.31 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.97 2kl4 h ARG 22 Cb 1.07 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 2kl4 h ARG 22 CO -0.04 0.33 -0.04 1.15 0.56 0.00 0.00 179.97 181.93 2kl4 h THR 23 N 0.51 1.30 -0.15 2.04 2.02 -0.95 -3.22 112.91 114.45 2kl4 h THR 23 Ca 0.46 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 2kl4 h THR 23 Cb 0.98 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2kl4 h THR 23 CO -0.19 0.29 -0.11 -0.33 0.37 0.00 0.00 175.52 175.55 2kl4 h GLU 24 N -0.08 0.23 0.64 6.66 5.08 -0.86 -1.09 114.58 125.15 2kl4 h GLU 24 Ca 0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2kl4 h GLU 24 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2kl4 h GLU 24 CO 0.01 0.35 -0.40 0.93 -1.00 0.00 0.00 179.01 178.90 2kl4 h GLU 25 N 0.22 -0.95 -0.43 2.33 5.08 -0.92 -0.79 114.58 119.12 2kl4 h GLU 25 Ca 0.05 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2kl4 h GLU 25 Cb 0.33 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2kl4 h GLU 25 CO 0.02 -0.63 0.19 0.82 -1.00 0.00 0.00 179.01 178.41 2kl4 h ILE 26 N -0.98 0.92 -0.07 3.13 2.04 -1.46 0.50 117.51 121.59 2kl4 h ILE 26 Ca -0.08 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2kl4 h ILE 26 Cb 0.80 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2kl4 h ILE 26 CO 0.08 0.07 0.01 -0.07 0.00 0.00 0.00 178.15 178.24 2kl4 h LEU 27 N 0.38 0.01 -0.65 1.44 3.38 -1.03 0.22 115.31 119.06 2kl4 h LEU 27 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2kl4 h LEU 27 Cb 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2kl4 h LEU 27 CO -0.17 0.02 0.38 0.28 0.09 0.00 0.00 178.44 179.04 2kl4 h SER 28 N 0.05 0.79 -0.42 -0.43 0.02 -0.93 -1.89 113.55 110.74 2kl4 h SER 28 Ca 0.03 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2kl4 h SER 28 Cb 0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2kl4 h SER 28 CO -0.04 0.64 -0.04 -0.25 -1.14 0.00 0.00 176.83 176.00 2kl4 h TRP 29 N 0.89 0.86 0.41 3.45 7.01 -0.49 -1.59 115.95 126.48 2kl4 h TRP 29 Ca 0.23 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2kl4 h TRP 29 Cb -0.00 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2kl4 h TRP 29 CO -0.01 0.86 -0.23 0.28 -2.79 0.00 0.00 178.44 176.54 2kl4 h VAL 30 N 0.60 0.52 0.00 2.65 2.07 -0.49 0.17 116.25 121.77 2kl4 h VAL 30 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2kl4 h VAL 30 Cb 0.54 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2kl4 h VAL 30 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2kl4 n ALA 31 N -2.40 1.72 -0.01 1.67 0.00 -0.72 -1.02 120.51 119.74 2kl4 n ALA 31 Ca -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 2kl4 n ALA 31 Cb 0.27 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 2kl4 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl4 n ALA 32 N -1.07 0.82 0.08 0.00 0.00 -0.61 -4.68 120.51 115.05 2kl4 n ALA 32 Ca 0.05 -0.28 0.03 0.00 0.00 0.00 0.00 53.44 53.24 2kl4 n ALA 32 Cb 0.03 0.02 0.40 0.00 0.00 0.00 0.00 19.45 19.90 2kl4 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kl4 h THR 33 N -0.15 1.14 -2.19 0.00 2.02 -0.60 -3.23 112.91 109.90 2kl4 h THR 33 Ca 0.00 -0.55 -0.60 0.00 0.77 0.00 0.00 66.41 66.04 2kl4 h THR 33 Cb 0.15 0.94 -0.42 0.00 -1.74 0.00 0.00 68.15 67.08 2kl4 h THR 33 CO 0.00 0.19 -0.63 0.49 0.37 0.00 0.00 175.52 175.94 2kl4 n PHE 34 N -4.36 3.49 0.83 3.16 3.72 -0.19 -4.94 117.46 119.17 2kl4 n PHE 34 Ca 0.01 -4.10 0.08 0.00 -0.05 0.00 0.00 57.45 53.39 2kl4 n PHE 34 Cb 0.19 -0.54 0.43 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.70 0.29 0.08 -1.08 -0.04 -1.22 -1.31 135.00 132.41 2kl4 n PRO 35 Ca 0.30 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 2kl4 n PRO 35 Cb 0.42 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.69 2kl4 n PRO 35 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl4 n ASN 36 N -1.24 0.70 -4.82 3.54 4.13 -1.26 -4.84 115.26 111.47 2kl4 n ASN 36 Ca 0.09 0.34 -0.33 0.00 1.68 0.00 0.00 54.58 56.36 2kl4 n ASN 36 Cb 0.12 -0.33 -0.07 0.00 -1.54 0.00 0.00 39.78 37.97 2kl4 n ASN 36 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kl4 s LEU 37 N -4.24 3.99 0.07 3.41 1.43 -0.42 -3.53 118.68 119.39 2kl4 s LEU 37 Ca 0.09 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.87 2kl4 s LEU 37 Cb 0.13 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 2kl4 s LEU 37 CO 0.65 -0.31 -0.12 -1.83 0.23 0.00 0.00 176.35 174.97 2kl4 s GLU 38 N -3.07 0.76 0.13 1.70 4.04 -0.17 -4.88 118.70 117.21 2kl4 s GLU 38 Ca 0.60 -0.96 -0.30 0.00 0.04 0.00 0.00 54.97 54.35 2kl4 s GLU 38 Cb -0.10 -0.65 -0.07 0.00 0.02 0.00 0.00 34.13 33.33 2kl4 s GLU 38 CO 0.14 0.13 1.20 -1.25 -1.84 0.00 0.00 175.26 173.65 2kl4 s PRO 39 N -1.92 4.47 -0.14 -4.83 0.04 -1.26 -0.89 135.00 130.47 2kl4 s PRO 39 Ca -0.02 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 2kl4 s PRO 39 Cb -0.09 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.23 2kl4 s PRO 39 CO 0.01 -0.16 0.32 -1.14 0.04 0.00 0.00 177.00 176.08 2kl4 s GLN 40 N 0.35 0.27 -0.18 4.56 0.74 -1.04 -4.86 119.66 119.50 2kl4 s GLN 40 Ca 0.55 0.71 -0.19 0.00 0.05 0.00 0.00 55.36 56.48 2kl4 s GLN 40 Cb -0.31 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 33.74 2kl4 s GLN 40 CO 0.33 -0.19 0.54 1.41 -0.55 0.00 0.00 175.29 176.83 2kl4 s MET 41 N 1.66 4.23 -0.02 1.67 -2.45 -1.26 -1.31 119.30 121.82 2kl4 s MET 41 Ca -0.07 0.48 -0.21 0.00 -1.25 0.00 0.00 55.69 54.64 2kl4 s MET 41 Cb -0.10 -3.54 0.04 0.00 1.25 0.00 0.00 34.83 32.48 2kl4 s MET 41 CO -0.10 -0.10 0.45 0.21 1.05 0.00 0.00 175.02 176.52 2kl4 s LYS 42 N 1.47 0.84 -1.41 4.11 2.20 -0.24 -4.89 119.74 121.82 2kl4 s LYS 42 Ca 0.26 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 2kl4 s LYS 42 Cb -0.16 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2kl4 s LYS 42 CO 0.10 -0.25 0.00 0.91 -0.36 0.00 0.00 175.35 175.75 2kl4 n TRP 43 N 1.04 -0.77 -1.01 4.03 7.02 -1.26 -0.36 117.44 126.13 2kl4 n TRP 43 Ca -0.20 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.27 2kl4 n TRP 43 Cb 0.57 -2.90 -0.00 0.00 -2.42 0.00 0.00 31.31 26.56 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 -1.22 -5.22 -4.60 -0.99 5.15 -1.26 -5.01 115.26 102.11 2kl4 n ASN 44 Ca -0.16 0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.53 2kl4 n ASN 44 Cb 0.55 -2.76 -0.10 0.00 -0.53 0.00 0.00 39.78 36.95 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 -1.29 3.53 0.18 -0.44 -4.23 0.52 -5.06 115.64 108.84 2kl4 s THR 45 Ca 0.00 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 2kl4 s THR 45 Cb 0.00 -2.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 2kl4 s THR 45 CO 0.00 0.15 1.05 -2.16 -0.54 0.00 0.00 174.62 173.12 2kl4 s PRO 46 N -2.11 4.65 0.24 3.99 0.04 -1.24 -1.08 135.00 139.49 2kl4 s PRO 46 Ca 0.22 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.92 2kl4 s PRO 46 Cb -0.11 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 2kl4 s PRO 46 CO 0.14 0.17 0.25 0.00 0.04 0.00 0.00 177.00 177.59 2kl4 n MET 47 N 2.28 0.36 -4.05 4.56 0.00 -0.42 -2.73 117.12 117.12 2kl4 n MET 47 Ca 0.02 -2.21 -0.08 0.00 0.00 0.00 0.00 57.70 55.43 2kl4 n MET 47 Cb 0.47 1.91 -0.10 0.00 0.00 0.00 0.00 33.22 35.50 2kl4 n MET 47 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kl4 s PHE 48 N -3.14 0.43 -0.09 3.17 0.40 -1.24 -2.50 117.98 115.00 2kl4 s PHE 48 Ca 0.25 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 2kl4 s PHE 48 Cb 0.01 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.21 2kl4 s PHE 48 CO 0.18 -0.33 -0.19 -1.54 0.70 0.00 0.00 175.22 174.04 2kl4 s SER 49 N -2.50 3.54 -0.81 1.36 1.04 -0.06 -4.33 113.70 111.95 2kl4 s SER 49 Ca 0.00 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.76 2kl4 s SER 49 Cb 0.03 -1.27 -0.00 0.00 0.10 0.00 0.00 66.02 64.87 2kl4 s SER 49 CO -0.07 0.21 1.66 0.21 0.98 0.00 0.00 173.24 176.22 2kl4 s ASN 50 N 0.08 5.71 -1.71 7.02 2.47 -1.26 -1.00 114.94 126.25 2kl4 s ASN 50 Ca -0.08 -0.49 -0.17 0.00 0.42 0.00 0.00 52.86 52.53 2kl4 s ASN 50 Cb -0.15 -2.55 0.15 0.00 -1.45 0.00 0.00 41.25 37.25 2kl4 s ASN 50 CO 0.05 -2.16 0.65 0.00 -3.72 0.00 0.00 177.10 171.92 2kl4 n GLN 51 N 9.08 -2.44 0.00 0.43 6.02 -1.23 -1.41 117.38 127.83 2kl4 n GLN 51 Ca 0.24 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 2kl4 n GLN 51 Cb 0.50 -4.85 0.00 0.00 1.02 0.00 0.00 30.24 26.91 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 -1.46 2.44 2.27 1.08 0.00 -1.26 -5.11 105.19 103.16 2kl4 n GLY 52 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.46 0.00 -1.38 2.61 -1.04 -0.50 -4.94 114.28 108.57 2kl4 n THR 53 Ca 0.00 -0.51 0.07 0.00 -2.04 0.00 0.00 64.05 61.58 2kl4 n THR 53 Cb 0.00 -1.54 0.12 0.00 -1.82 0.00 0.00 70.33 67.09 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 -3.34 0.00 0.82 -1.42 7.35 -1.26 -4.01 117.46 115.60 2kl4 n PHE 54 Ca 0.10 -0.91 0.01 0.00 -0.76 0.00 0.00 57.45 55.89 2kl4 n PHE 54 Cb 0.35 -0.15 0.06 0.00 0.35 0.00 0.00 39.48 40.09 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 -1.06 0.00 -3.55 -2.13 5.41 -1.26 -4.67 119.36 112.10 2kl4 n ILE 55 Ca 0.14 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.73 2kl4 n ILE 55 Cb 0.68 -0.37 -0.06 0.00 -0.71 0.00 0.00 39.64 39.19 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 -2.00 0.00 -0.11 1.39 2.07 -0.99 -4.25 121.20 117.31 2kl4 s ILE 56 Ca 0.03 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.97 2kl4 s ILE 56 Cb 0.01 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.72 2kl4 s ILE 56 CO 0.02 0.00 0.97 -0.83 -1.91 0.00 0.00 174.94 173.19 2kl4 s GLY 57 N -0.94 -0.34 0.26 1.50 0.00 -1.17 -3.69 107.32 102.94 2kl4 s GLY 57 Ca -0.07 1.65 -0.13 0.00 0.00 0.00 0.00 44.72 46.17 2kl4 s GLY 57 CO 0.06 0.76 0.50 -0.11 0.00 0.00 0.00 173.10 174.32 2kl4 s PHE 58 N -1.87 0.34 -0.25 1.90 -0.12 -1.11 -3.59 117.98 113.30 2kl4 s PHE 58 Ca 0.01 -0.71 -0.06 0.00 -0.05 0.00 0.00 56.93 56.12 2kl4 s PHE 58 Cb -0.01 0.23 0.13 0.00 -0.63 0.00 0.00 43.02 42.74 2kl4 s PHE 58 CO -0.02 -1.03 0.50 -1.12 -0.05 0.00 0.00 175.22 173.50 2kl4 s SER 59 N -3.02 -0.55 0.20 1.98 0.01 -1.25 -3.64 113.70 107.43 2kl4 s SER 59 Ca 0.22 0.95 -0.32 0.00 1.31 0.00 0.00 55.95 58.12 2kl4 s SER 59 Cb -0.01 1.67 -0.11 0.00 0.21 0.00 0.00 66.02 67.77 2kl4 s SER 59 CO 0.09 -0.25 1.63 0.42 0.41 0.00 0.00 173.24 175.55 2kl4 s THR 60 N 2.71 2.31 0.63 1.44 -4.23 -1.26 -4.32 115.64 112.91 2kl4 s THR 60 Ca 0.04 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 2kl4 s THR 60 Cb -0.13 -3.15 0.06 0.00 1.34 0.00 0.00 72.50 70.62 2kl4 s THR 60 CO -0.16 0.02 0.89 -0.55 -0.54 0.00 0.00 174.62 174.27 2kl4 s SER 61 N 1.07 4.96 0.12 3.99 0.15 -0.30 -5.01 113.70 118.68 2kl4 s SER 61 Ca 0.71 0.08 -0.24 0.00 0.70 0.00 0.00 55.95 57.19 2kl4 s SER 61 Cb -0.47 -0.80 -0.06 0.00 -1.71 0.00 0.00 66.02 62.98 2kl4 s SER 61 CO 0.34 -1.41 1.66 0.50 1.20 0.00 0.00 173.24 175.53 2kl4 h LYS 62 N -0.24 -0.28 -1.56 5.44 3.64 -2.03 -3.36 116.57 118.17 2kl4 h LYS 62 Ca -0.42 0.02 -0.46 0.00 -1.27 0.00 0.00 60.65 58.52 2kl4 h LYS 62 Cb 1.30 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 32.78 2kl4 h LYS 62 CO 0.53 -0.19 -1.07 0.72 -2.27 0.00 0.00 179.45 177.17 2kl4 n HIS 63 N -5.31 1.48 0.00 1.91 8.25 -1.26 -4.97 115.22 115.33 2kl4 n HIS 63 Ca -0.05 -3.33 0.00 0.00 -0.26 0.00 0.00 57.72 54.08 2kl4 n HIS 63 Cb 0.23 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2kl4 n HIS 63 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kl4 n HIS 64 N -0.03 0.00 -4.23 4.41 8.25 -1.26 -4.16 115.22 118.21 2kl4 n HIS 64 Ca 0.21 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 2kl4 n HIS 64 Cb 0.69 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.71 2kl4 n HIS 64 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kl4 s LEU 65 N 0.00 3.04 -0.09 2.41 2.96 0.20 -1.15 118.68 126.06 2kl4 s LEU 65 Ca 0.00 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2kl4 s LEU 65 Cb 0.00 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.89 2kl4 s LEU 65 CO 0.00 0.17 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.72 2kl4 s SER 66 N -2.26 1.77 0.02 3.68 0.01 -1.26 -0.14 113.70 115.51 2kl4 s SER 66 Ca 0.22 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.31 2kl4 s SER 66 Cb -0.11 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 2kl4 s SER 66 CO 0.14 -0.14 -0.06 -0.69 0.41 0.00 0.00 173.24 172.89 2kl4 s VAL 67 N 1.71 0.48 0.18 3.43 1.01 0.99 -3.78 120.40 124.43 2kl4 s VAL 67 Ca 0.03 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2kl4 s VAL 67 Cb -0.13 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.83 2kl4 s VAL 67 CO -0.06 -0.08 0.54 -0.55 0.00 0.00 0.00 175.10 174.95 2kl4 s SER 68 N -0.72 -0.33 -0.08 3.32 0.15 -1.24 -0.61 113.70 114.19 2kl4 s SER 68 Ca -0.03 -0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.15 2kl4 s SER 68 Cb -0.05 0.58 -0.09 0.00 -1.71 0.00 0.00 66.02 64.75 2kl4 s SER 68 CO 0.00 -1.03 0.47 1.55 1.20 0.00 0.00 173.24 175.44 2kl4 h PRO 69 N 2.16 -0.19 0.00 5.44 0.13 -1.90 -3.10 132.00 134.55 2kl4 h PRO 69 Ca -0.30 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2kl4 h PRO 69 Cb 1.27 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kl4 h PRO 69 CO 0.38 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.63 2kl4 n GLU 70 N -4.89 0.00 0.00 0.86 1.02 -1.26 -2.36 120.64 114.01 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 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.35 2.46 -0.32 3.49 0.28 -1.26 -4.75 120.64 120.18 2kl4 n GLU 71 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 2kl4 n GLU 71 Cb 0.00 -0.52 0.14 0.00 1.43 0.00 0.00 31.44 32.49 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 1.06 -0.28 3.84 6.09 -1.97 0.16 117.51 126.42 2kl4 h ILE 72 Ca 0.00 -0.35 0.08 0.00 -1.37 0.00 0.00 64.86 63.22 2kl4 h ILE 72 Cb 0.02 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.26 2kl4 h ILE 72 CO 0.00 0.19 0.47 1.23 -3.07 0.00 0.00 178.15 176.97 2kl4 h GLY 73 N 1.02 0.00 -0.51 8.18 0.00 -1.87 0.19 103.07 110.07 2kl4 h GLY 73 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2kl4 h GLY 73 CO -0.16 0.00 -0.15 1.39 0.00 0.00 0.00 176.54 177.62 2kl4 n ILE 74 N -3.33 0.00 -0.00 2.60 2.08 0.46 -3.00 119.36 118.16 2kl4 n ILE 74 Ca 0.05 -0.43 -0.04 0.00 0.56 0.00 0.00 62.75 62.89 2kl4 n ILE 74 Cb 0.60 1.13 -0.01 0.00 -0.75 0.00 0.00 39.64 40.61 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 -0.07 0.75 -0.05 4.38 7.64 -0.43 -4.41 113.62 121.43 2kl4 n SER 75 Ca 0.04 0.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 2kl4 n SER 75 Cb 0.21 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.18 -0.02 -0.02 1.43 4.15 -0.94 -3.38 115.11 116.15 2kl4 h GLN 76 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2kl4 h GLN 76 Cb 0.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2kl4 h GLN 76 CO -0.04 0.73 -0.25 1.19 -1.93 0.00 0.00 178.83 178.53 2kl4 n PHE 77 N -4.69 0.00 0.23 3.99 3.01 -1.14 -4.34 117.46 114.52 2kl4 n PHE 77 Ca -0.08 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.44 2kl4 n PHE 77 Cb 0.37 -0.04 0.57 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 4.05 1.85 -0.34 4.37 0.00 -1.72 -2.26 119.26 125.21 2kl4 h ALA 78 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2kl4 h ALA 78 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kl4 h ALA 78 CO 0.00 0.12 -0.25 -0.44 0.00 0.00 0.00 179.25 178.67 2kl4 h ASP 79 N 0.04 0.81 -0.38 0.00 3.32 -1.86 0.34 116.42 118.69 2kl4 h ASP 79 Ca 0.01 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 2kl4 h ASP 79 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2kl4 h ASP 79 CO 0.01 1.08 0.21 0.00 -1.72 0.00 0.00 179.24 178.82 2kl4 h ALA 80 N 0.76 0.49 -0.68 3.45 0.00 -1.76 -1.83 119.26 119.68 2kl4 h ALA 80 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kl4 h ALA 80 Cb 0.81 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2kl4 h ALA 80 CO 0.07 0.01 0.43 0.82 0.00 0.00 0.00 179.25 180.58 2kl4 h ILE 81 N 0.49 1.11 0.20 0.00 2.04 -1.22 0.23 117.51 120.36 2kl4 h ILE 81 Ca 0.13 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2kl4 h ILE 81 Cb 0.05 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 2kl4 h ILE 81 CO -0.02 0.16 -0.19 0.00 0.00 0.00 0.00 178.15 178.09 2kl4 h ALA 82 N 1.28 -0.39 0.00 1.87 0.00 -0.58 -2.34 119.26 119.10 2kl4 h ALA 82 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2kl4 h ALA 82 Cb -0.01 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kl4 h ALA 82 CO -0.10 -0.75 -0.09 1.96 0.00 0.00 0.00 179.25 180.27 2kl4 h GLN 83 N -0.42 0.00 0.00 0.00 4.20 -1.20 -1.81 115.11 115.88 2kl4 h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kl4 h GLN 83 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2kl4 h GLN 83 CO -0.04 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 2kl4 n ALA 84 N -2.15 2.29 -2.69 3.87 0.00 0.06 -4.87 120.51 117.01 2kl4 n ALA 84 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2kl4 n ALA 84 Cb 0.36 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.75 2kl4 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl4 n GLY 85 N 0.31 0.31 3.16 0.00 0.00 -0.68 -5.03 105.19 103.27 2kl4 n GLY 85 Ca 0.03 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.91 0.87 -0.37 1.61 2.02 -0.96 -5.06 117.35 112.54 2kl4 s TYR 86 Ca 0.16 -0.99 0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2kl4 s TYR 86 Cb -0.07 -0.52 0.11 0.00 -0.40 0.00 0.00 41.96 41.08 2kl4 s TYR 86 CO 0.19 -0.23 0.11 -1.12 -1.57 0.00 0.00 175.55 172.92 2kl4 s SER 87 N -3.04 4.50 1.02 2.29 0.01 -1.26 -3.75 113.70 113.46 2kl4 s SER 87 Ca 0.14 -2.26 -0.12 0.00 1.31 0.00 0.00 55.95 55.02 2kl4 s SER 87 Cb 0.06 -1.47 0.20 0.00 0.21 0.00 0.00 66.02 65.02 2kl4 s SER 87 CO -0.04 -0.35 1.08 0.00 0.41 0.00 0.00 173.24 174.34 2kl4 s ALA 88 N 0.77 0.66 0.00 1.44 0.00 -1.26 -3.81 121.76 119.55 2kl4 s ALA 88 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2kl4 s ALA 88 Cb -0.20 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2kl4 s ALA 88 CO -0.09 -3.13 0.00 0.25 0.00 0.00 0.00 175.76 172.79 2kl4 n THR 89 N -4.45 0.00 1.41 0.00 -2.24 0.20 -4.96 114.28 104.25 2kl4 n THR 89 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 2kl4 n THR 89 Cb 0.54 -0.71 0.72 0.00 -2.10 0.00 0.00 70.33 68.78 2kl4 n THR 89 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kl4 n LYS 90 N -0.39 0.53 0.00 -0.78 4.76 -1.26 -4.45 118.16 116.56 2kl4 n LYS 90 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2kl4 n LYS 90 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2kl4 n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kl4 n GLY 91 N 0.92 0.86 3.63 0.72 0.00 -1.26 -4.99 105.19 105.06 2kl4 n GLY 91 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.58 0.04 0.99 0.05 -1.26 -4.83 118.68 114.25 2kl4 s LEU 92 Ca 0.00 -1.34 0.08 0.00 0.05 0.00 0.00 54.13 52.92 2kl4 s LEU 92 Cb 0.00 2.06 -0.03 0.00 -2.05 0.00 0.00 46.19 46.18 2kl4 s LEU 92 CO 0.00 -1.47 -0.23 0.72 -0.55 0.00 0.00 176.35 174.82 2kl4 s PHE 93 N -2.74 2.03 0.04 3.48 -0.12 0.22 -0.63 117.98 120.26 2kl4 s PHE 93 Ca 0.24 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2kl4 s PHE 93 Cb -0.02 -1.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.12 2kl4 s PHE 93 CO 0.16 0.10 -0.04 -0.98 -0.05 0.00 0.00 175.22 174.41 2kl4 s ARG 94 N -1.16 0.51 -0.03 1.99 1.04 -1.25 -0.01 118.95 120.04 2kl4 s ARG 94 Ca 0.09 -0.94 -0.04 0.00 -1.04 0.00 0.00 55.73 53.80 2kl4 s ARG 94 Cb -0.09 0.07 0.01 0.00 -2.04 0.00 0.00 34.95 32.90 2kl4 s ARG 94 CO 0.02 -0.06 0.10 0.42 -0.04 0.00 0.00 175.30 175.74 2kl4 s ILE 95 N -2.64 0.02 0.62 4.99 -1.09 0.80 -4.22 121.20 119.69 2kl4 s ILE 95 Ca -0.03 -0.18 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 2kl4 s ILE 95 Cb -0.01 -0.21 -0.02 0.00 -1.58 0.00 0.00 42.46 40.64 2kl4 s ILE 95 CO -0.05 -0.10 1.13 -2.16 -1.23 0.00 0.00 174.94 172.53 2kl4 s PRO 96 N -0.29 2.95 -0.84 2.79 0.04 -1.26 -0.62 135.00 137.76 2kl4 s PRO 96 Ca -0.04 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 2kl4 s PRO 96 Cb -0.03 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2kl4 s PRO 96 CO 0.00 -1.15 1.92 -1.58 0.04 0.00 0.00 177.00 176.24 2kl4 s TRP 97 N -2.09 1.78 0.16 0.56 0.23 -1.26 -3.57 118.94 114.75 2kl4 s TRP 97 Ca 0.70 0.65 0.00 0.00 -2.03 0.00 0.00 56.10 55.42 2kl4 s TRP 97 Cb -0.23 -4.06 0.00 0.00 0.03 0.00 0.00 33.47 29.21 2kl4 s TRP 97 CO 0.36 -1.87 0.00 -1.71 0.96 0.00 0.00 176.95 174.70 2kl4 n ASN 98 N 13.67 -1.41 -4.91 2.95 5.15 -1.26 -4.93 115.26 124.52 2kl4 n ASN 98 Ca 0.36 0.62 -0.27 0.00 -0.60 0.00 0.00 54.58 54.68 2kl4 n ASN 98 Cb 0.48 1.62 -0.02 0.00 -0.53 0.00 0.00 39.78 41.33 2kl4 n ASN 98 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2kl4 s ASP 99 N -2.00 6.38 -0.25 1.20 1.01 -1.23 -4.97 116.67 116.80 2kl4 s ASP 99 Ca 0.00 0.77 -0.29 0.00 0.71 0.00 0.00 52.55 53.74 2kl4 s ASP 99 Cb 0.00 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2kl4 s ASP 99 CO 0.00 -0.35 1.53 -2.16 0.21 0.00 0.00 175.17 174.40 2kl4 s PRO 100 N -4.07 3.82 0.02 8.23 0.04 -1.26 -4.88 135.00 136.90 2kl4 s PRO 100 Ca 0.45 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2kl4 s PRO 100 Cb -0.10 -3.99 -0.09 0.00 0.04 0.00 0.00 34.50 30.36 2kl4 s PRO 100 CO 0.35 -1.25 1.96 0.54 0.04 0.00 0.00 177.00 178.64 2kl4 s VAL 101 N 4.98 3.06 -1.09 -0.36 0.11 -1.26 -4.88 120.40 120.95 2kl4 s VAL 101 Ca 0.67 0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 59.57 2kl4 s VAL 101 Cb -0.22 -3.05 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 2kl4 s VAL 101 CO 0.27 -0.01 1.71 -2.28 -3.33 0.00 0.00 175.10 171.47 2kl4 s HIS 102 N 4.56 2.34 0.22 1.54 2.46 -1.26 -4.84 115.29 120.31 2kl4 s HIS 102 Ca 0.88 -0.50 -0.08 0.00 0.47 0.00 0.00 55.06 55.83 2kl4 s HIS 102 Cb -0.42 -4.45 0.28 0.00 -0.13 0.00 0.00 32.58 27.86 2kl4 s HIS 102 CO 0.41 -1.74 1.80 1.88 -2.47 0.00 0.00 174.74 174.62 2kl4 h TYR 103 N 9.55 0.69 -0.04 3.88 -1.99 -1.98 -2.48 116.97 124.60 2kl4 h TYR 103 Ca 0.24 0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.03 2kl4 h TYR 103 Cb 0.96 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.45 2kl4 h TYR 103 CO 1.29 0.30 -0.12 1.49 -0.00 0.00 0.00 178.16 181.13 2kl4 h GLU 104 N 0.68 -0.18 -0.52 4.88 4.81 -1.99 0.33 114.58 122.58 2kl4 h GLU 104 Ca 0.32 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2kl4 h GLU 104 Cb 0.25 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2kl4 h GLU 104 CO -0.21 -0.12 0.12 1.25 -0.73 0.00 0.00 179.01 179.32 2kl4 h LEU 105 N -0.19 0.79 -0.52 1.64 6.46 -1.94 -2.85 115.31 118.71 2kl4 h LEU 105 Ca 0.06 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2kl4 h LEU 105 Cb 0.26 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2kl4 h LEU 105 CO -0.15 0.82 -0.37 0.17 -0.62 0.00 0.00 178.44 178.29 2kl4 h LEU 106 N 0.73 0.00 -0.34 2.25 8.10 -1.13 -3.04 115.31 121.87 2kl4 h LEU 106 Ca 0.16 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.10 2kl4 h LEU 106 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2kl4 h LEU 106 CO 0.00 0.37 0.02 0.07 -4.11 0.00 0.00 178.44 174.80 2kl4 h LYS 107 N 0.00 0.59 -0.14 0.17 2.10 -0.20 -2.96 116.57 116.13 2kl4 h LYS 107 Ca -0.00 -0.18 0.03 0.00 -2.00 0.00 0.00 60.65 58.50 2kl4 h LYS 107 Cb 1.08 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 2kl4 h LYS 107 CO 0.05 0.69 -0.06 1.96 -2.00 0.00 0.00 179.45 180.09 2kl4 h GLN 108 N 0.41 -0.05 -0.30 0.07 4.20 -1.39 -0.14 115.11 117.92 2kl4 h GLN 108 Ca 0.10 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 2kl4 h GLN 108 Cb 0.41 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2kl4 h GLN 108 CO 0.01 -0.03 -0.22 0.00 -0.67 0.00 0.00 178.83 177.92 2kl4 h MET 109 N -0.05 0.56 -0.00 1.46 -0.00 -1.58 0.48 114.93 115.79 2kl4 h MET 109 Ca 0.08 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.70 59.56 2kl4 h MET 109 Cb 0.16 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2kl4 h MET 109 CO -0.17 0.74 -0.03 0.97 -0.00 0.00 0.00 176.91 178.43 2kl4 h ILE 110 N 0.50 1.54 -0.75 -0.10 -0.00 -1.31 -2.05 117.51 115.34 2kl4 h ILE 110 Ca 0.08 -1.63 0.03 0.00 -0.00 0.00 0.00 64.86 63.34 2kl4 h ILE 110 Cb 0.65 2.63 -0.05 0.00 -0.00 0.00 0.00 36.82 40.05 2kl4 h ILE 110 CO 0.05 0.43 0.48 -0.33 -0.00 0.00 0.00 178.15 178.77 2kl4 h GLU 111 N -0.64 0.90 0.09 2.19 4.39 -0.94 -0.54 114.58 120.03 2kl4 h GLU 111 Ca -0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kl4 h GLU 111 Cb 0.71 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kl4 h GLU 111 CO 0.01 0.59 -0.05 0.35 -1.16 0.00 0.00 179.01 178.75 2kl4 h PHE 112 N 0.92 -0.12 0.00 4.33 3.57 -1.00 -2.04 116.94 122.61 2kl4 h PHE 112 Ca 0.31 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2kl4 h PHE 112 Cb 0.03 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2kl4 h PHE 112 CO -0.04 0.08 0.00 -1.71 -2.23 0.00 0.00 178.31 174.41 2kl4 n ASN 113 N -5.07 0.06 0.09 0.41 5.15 -0.60 -0.27 115.26 115.03 2kl4 n ASN 113 Ca -0.08 0.51 -0.05 0.00 -0.60 0.00 0.00 54.58 54.36 2kl4 n ASN 113 Cb 0.14 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.84 2kl4 n ASN 113 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2kl4 h ILE 114 N 0.00 0.02 0.00 -1.44 2.04 -1.07 -3.39 117.51 113.67 2kl4 h ILE 114 Ca 0.00 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2kl4 h ILE 114 Cb 0.26 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2kl4 h ILE 114 CO 0.00 0.01 0.00 0.06 0.00 0.00 0.00 178.15 178.22 2kl4 h GLN 115 N -1.09 0.00 0.00 2.37 3.07 -0.34 -2.38 115.11 116.75 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 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 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 -2.40 0.19 -1.16 0.06 2.03 0.62 -3.12 116.55 112.78 2kl4 n ASP 116 Ca 0.04 0.52 0.08 0.00 0.52 0.00 0.00 54.79 55.95 2kl4 n ASP 116 Cb 0.36 -0.57 0.28 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.68 3.33 0.00 -0.67 4.76 -0.89 -5.07 118.16 117.93 2kl4 n LYS 117 Ca 0.06 -2.67 0.00 0.00 -2.87 0.00 0.00 58.31 52.83 2kl4 n LYS 117 Cb 0.34 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42