#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 2.88 0.00 1.61 0.01 -1.26 -4.97 113.70 111.97 2kl4 s SER 2 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2kl4 s SER 2 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2kl4 s SER 2 CO 0.00 -3.05 0.00 0.00 0.41 0.00 0.00 173.24 170.60 2kl4 n HIS 3 N -4.17 0.00 0.17 2.43 -0.00 -1.26 -4.95 115.22 107.44 2kl4 n HIS 3 Ca 0.08 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.96 2kl4 n HIS 3 Cb 0.54 0.00 0.78 0.00 -0.00 0.00 0.00 29.99 31.31 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 -0.59 -1.40 0.00 -1.99 -1.28 114.93 109.67 2kl4 h MET 4 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 59.70 59.76 2kl4 h MET 4 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.57 2kl4 h MET 4 CO 0.00 0.00 0.39 0.93 0.00 0.00 0.00 176.91 178.23 2kl4 h GLU 5 N 0.00 0.58 -0.19 1.72 5.08 -2.00 -0.38 114.58 119.40 2kl4 h GLU 5 Ca 0.11 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2kl4 h GLU 5 Cb 0.52 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kl4 h GLU 5 CO -0.00 0.38 -0.26 0.28 -1.00 0.00 0.00 179.01 178.41 2kl4 h VAL 6 N 0.59 1.34 0.00 3.13 2.07 -1.63 -3.20 116.25 118.55 2kl4 h VAL 6 Ca 0.25 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2kl4 h VAL 6 Cb 0.24 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2kl4 h VAL 6 CO -0.07 0.45 0.00 0.49 0.02 0.00 0.00 177.57 178.45 2kl4 n PHE 7 N -4.39 0.87 0.00 1.57 3.72 -0.76 -3.82 117.46 114.65 2kl4 n PHE 7 Ca -0.06 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2kl4 n PHE 7 Cb 0.45 -0.93 0.31 0.00 -0.94 0.00 0.00 39.48 38.36 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 2.50 1.40 0.00 4.37 0.00 -1.09 -2.18 119.26 124.26 2kl4 h ALA 8 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kl4 h ALA 8 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kl4 h ALA 8 CO 0.00 0.42 0.00 0.93 0.00 0.00 0.00 179.25 180.60 2kl4 h GLU 9 N 0.49 0.00 0.00 0.00 4.39 -1.75 -1.19 114.58 116.53 2kl4 h GLU 9 Ca 0.11 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.47 2kl4 h GLU 9 Cb 0.31 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 2kl4 h GLU 9 CO 0.01 0.00 -2.29 0.98 -1.16 0.00 0.00 179.01 176.54 2kl4 n TYR 10 N -2.50 0.00 -0.36 4.33 9.36 -0.85 -4.31 117.16 122.83 2kl4 n TYR 10 Ca -0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 2kl4 n TYR 10 Cb 0.13 -0.89 0.27 0.00 -0.63 0.00 0.00 39.34 38.23 2kl4 n TYR 10 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2kl4 h LEU 11 N 0.00 0.87 -2.01 2.98 -0.00 -1.08 -0.31 115.31 115.75 2kl4 h LEU 11 Ca -0.51 0.06 0.04 0.00 -0.00 0.00 0.00 57.88 57.47 2kl4 h LEU 11 Cb 1.87 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.42 2kl4 h LEU 11 CO -0.05 0.42 0.09 0.07 -0.00 0.00 0.00 178.44 178.97 2kl4 h LYS 12 N 0.91 0.00 -0.01 1.13 2.10 -1.43 -2.69 116.57 116.58 2kl4 h LYS 12 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 2kl4 h LYS 12 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2kl4 h LYS 12 CO -0.30 0.00 -0.33 0.41 -2.00 0.00 0.00 179.45 177.23 2kl4 n GLY 13 N -1.56 -0.27 3.70 0.07 0.00 -0.14 -4.97 105.19 102.02 2kl4 n GLY 13 Ca 0.00 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.29 0.51 0.00 -0.61 2.08 -1.02 -4.90 119.36 115.14 2kl4 n ILE 14 Ca 0.11 -0.13 -0.12 0.00 0.56 0.00 0.00 62.75 63.18 2kl4 n ILE 14 Cb 0.41 -1.71 -0.07 0.00 -0.75 0.00 0.00 39.64 37.52 2kl4 n ILE 14 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 2kl4 h ASP 15 N 5.34 0.07 -4.23 4.38 1.82 -1.93 -3.44 116.42 118.43 2kl4 h ASP 15 Ca -0.45 -0.14 -0.20 0.00 -0.39 0.00 0.00 57.03 55.85 2kl4 h ASP 15 Cb 1.24 -0.02 -0.25 0.00 0.68 0.00 0.00 39.33 40.98 2kl4 h ASP 15 CO 0.84 0.19 -0.66 -1.00 -1.61 0.00 0.00 179.24 177.00 2kl4 s HIS 16 N -5.65 0.05 0.10 0.28 3.76 -1.26 -5.04 115.29 107.54 2kl4 s HIS 16 Ca -0.14 -0.10 0.27 0.00 -0.15 0.00 0.00 55.06 54.94 2kl4 s HIS 16 Cb 0.06 -0.05 1.03 0.00 1.11 0.00 0.00 32.58 34.72 2kl4 s HIS 16 CO 0.68 -0.10 1.86 -1.00 -0.85 0.00 0.00 174.74 175.33 2kl4 h PRO 17 N 5.48 0.00 0.00 8.40 0.13 -1.99 -1.05 132.00 142.97 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 0.45 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 2kl4 n ASP 18 N -3.30 0.00 0.00 1.44 9.92 -1.26 -2.18 116.55 121.17 2kl4 n ASP 18 Ca 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2kl4 n ASP 18 Cb 0.40 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 2kl4 n ASP 18 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kl4 n HIS 19 N -1.31 0.00 0.38 1.24 8.25 -0.45 -4.81 115.22 118.52 2kl4 n HIS 19 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 2kl4 n HIS 19 Cb 0.08 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.95 -0.87 -0.41 2.43 -0.91 -3.15 114.38 110.53 2kl4 h ARG 20 Ca 0.00 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.46 2kl4 h ARG 20 Cb 0.01 0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 29.64 2kl4 h ARG 20 CO 0.00 -0.63 0.23 0.22 -1.51 0.00 0.00 179.97 178.28 2kl4 h ASP 21 N -1.18 0.01 -0.28 -3.80 1.82 -1.87 -0.34 116.42 110.78 2kl4 h ASP 21 Ca -0.10 0.19 0.03 0.00 -0.39 0.00 0.00 57.03 56.76 2kl4 h ASP 21 Cb 0.75 0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 2kl4 h ASP 21 CO 0.16 -0.14 0.10 0.03 -1.61 0.00 0.00 179.24 177.79 2kl4 h ARG 22 N 0.22 0.23 -0.31 0.28 2.47 -1.85 -1.42 114.38 113.99 2kl4 h ARG 22 Ca 0.54 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 59.20 2kl4 h ARG 22 Cb 1.08 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2kl4 h ARG 22 CO -0.64 0.15 0.03 1.15 0.56 0.00 0.00 179.97 181.22 2kl4 h THR 23 N 0.23 1.25 -0.93 2.04 2.02 -1.08 -2.76 112.91 113.68 2kl4 h THR 23 Ca 0.12 -0.88 0.16 0.00 0.77 0.00 0.00 66.41 66.59 2kl4 h THR 23 Cb 0.08 1.21 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 2kl4 h THR 23 CO -0.12 0.29 0.53 -0.33 0.37 0.00 0.00 175.52 176.25 2kl4 h GLU 24 N 0.34 0.69 0.27 6.66 4.39 -0.87 -1.61 114.58 124.45 2kl4 h GLU 24 Ca 0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2kl4 h GLU 24 Cb 0.39 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kl4 h GLU 24 CO 0.01 0.46 -0.13 0.93 -1.16 0.00 0.00 179.01 179.12 2kl4 h GLU 25 N 0.72 -0.35 -0.77 2.33 5.08 -0.97 -2.73 114.58 117.89 2kl4 h GLU 25 Ca 0.52 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 2kl4 h GLU 25 Cb 0.74 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2kl4 h GLU 25 CO -0.36 -0.22 0.41 0.82 -1.00 0.00 0.00 179.01 178.66 2kl4 h ILE 26 N -0.38 1.23 0.66 3.13 2.04 -1.39 -1.38 117.51 121.42 2kl4 h ILE 26 Ca -0.04 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2kl4 h ILE 26 Cb 0.29 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2kl4 h ILE 26 CO 0.06 0.26 -0.32 -0.07 0.00 0.00 0.00 178.15 178.09 2kl4 h LEU 27 N 1.06 -0.75 -1.28 1.44 3.38 -1.21 -0.02 115.31 117.94 2kl4 h LEU 27 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2kl4 h LEU 27 Cb 0.05 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2kl4 h LEU 27 CO -0.04 -0.47 0.45 0.28 0.09 0.00 0.00 178.44 178.74 2kl4 h SER 28 N -0.97 0.82 0.89 -0.43 0.02 -1.50 -2.64 113.55 109.74 2kl4 h SER 28 Ca -0.09 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2kl4 h SER 28 Cb 0.70 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kl4 h SER 28 CO 0.15 0.61 -0.46 -0.25 -1.14 0.00 0.00 176.83 175.73 2kl4 h TRP 29 N 0.96 -1.22 -0.57 3.45 7.01 -0.97 -1.77 115.95 122.85 2kl4 h TRP 29 Ca 0.26 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.33 2kl4 h TRP 29 Cb -0.08 0.41 -0.08 0.00 -2.10 0.00 0.00 29.16 27.31 2kl4 h TRP 29 CO 0.00 -0.73 0.14 0.28 -2.79 0.00 0.00 178.44 175.34 2kl4 h VAL 30 N -1.24 0.68 0.00 2.65 2.07 -0.88 0.20 116.25 119.73 2kl4 h VAL 30 Ca -0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2kl4 h VAL 30 Cb 0.97 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2kl4 h VAL 30 CO 0.18 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.81 2kl4 h ALA 31 N 1.44 1.97 0.00 1.67 0.00 -1.40 -1.02 119.26 121.92 2kl4 h ALA 31 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2kl4 h ALA 31 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kl4 h ALA 31 CO -0.36 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 178.83 2kl4 h ALA 32 N 1.99 0.00 -0.13 0.00 0.00 0.05 -3.36 119.26 117.81 2kl4 h ALA 32 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2kl4 h ALA 32 Cb 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kl4 h ALA 32 CO 0.00 0.06 -0.23 1.15 0.00 0.00 0.00 179.25 180.24 2kl4 h THR 33 N -0.89 1.22 -2.16 0.00 2.02 -0.68 -3.31 112.91 109.11 2kl4 h THR 33 Ca 0.00 -1.03 -0.56 0.00 0.77 0.00 0.00 66.41 65.59 2kl4 h THR 33 Cb 0.06 1.38 -0.41 0.00 -1.74 0.00 0.00 68.15 67.44 2kl4 h THR 33 CO 0.00 0.31 -0.82 0.49 0.37 0.00 0.00 175.52 175.87 2kl4 n PHE 34 N -4.19 2.47 0.55 3.16 3.72 -0.39 -4.97 117.46 117.82 2kl4 n PHE 34 Ca -0.01 -3.94 0.07 0.00 -0.05 0.00 0.00 57.45 53.52 2kl4 n PHE 34 Cb 0.34 -0.47 0.32 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.36 0.07 0.18 -1.08 -0.04 -1.25 -1.05 135.00 132.19 2kl4 n PRO 35 Ca 0.28 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 64.01 2kl4 n PRO 35 Cb 0.48 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.75 2kl4 n PRO 35 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kl4 h ASN 36 N 0.00 0.00 -4.09 3.54 2.35 -1.93 -3.45 115.58 112.00 2kl4 h ASN 36 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2kl4 h ASN 36 Cb 0.21 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.68 2kl4 h ASN 36 CO 0.00 0.40 0.47 -0.76 -1.65 0.00 0.00 177.43 175.89 2kl4 s LEU 37 N -7.12 3.70 0.07 1.61 1.43 -0.21 -3.20 118.68 114.95 2kl4 s LEU 37 Ca -0.00 2.37 0.05 0.00 -1.03 0.00 0.00 54.13 55.52 2kl4 s LEU 37 Cb 0.11 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2kl4 s LEU 37 CO 0.70 -1.52 -0.14 -1.61 0.23 0.00 0.00 176.35 174.01 2kl4 s GLU 38 N -3.29 0.80 0.54 1.70 0.41 0.61 -4.88 118.70 114.60 2kl4 s GLU 38 Ca 0.76 -0.95 -0.18 0.00 -0.41 0.00 0.00 54.97 54.20 2kl4 s GLU 38 Cb -0.30 -0.80 -0.06 0.00 -1.78 0.00 0.00 34.13 31.19 2kl4 s GLU 38 CO 0.33 0.18 1.04 -1.25 -0.49 0.00 0.00 175.26 175.06 2kl4 s PRO 39 N -1.73 3.58 -0.24 0.39 0.04 -1.26 -0.64 135.00 135.13 2kl4 s PRO 39 Ca -0.02 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 2kl4 s PRO 39 Cb -0.10 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.46 2kl4 s PRO 39 CO 0.02 -0.60 0.56 -0.65 0.04 0.00 0.00 177.00 176.37 2kl4 s GLN 40 N -3.73 0.53 -0.60 4.56 -0.21 -1.03 -4.84 119.66 114.35 2kl4 s GLN 40 Ca 0.65 1.12 -0.23 0.00 0.02 0.00 0.00 55.36 56.92 2kl4 s GLN 40 Cb -0.15 0.26 0.06 0.00 1.00 0.00 0.00 33.01 34.17 2kl4 s GLN 40 CO 0.29 -0.18 0.91 1.41 -2.12 0.00 0.00 175.29 175.60 2kl4 s MET 41 N 1.96 3.19 -0.12 2.91 -2.45 -1.26 -3.01 119.30 120.52 2kl4 s MET 41 Ca -0.08 -0.64 -0.13 0.00 -1.25 0.00 0.00 55.69 53.59 2kl4 s MET 41 Cb -0.08 -4.15 0.03 0.00 1.25 0.00 0.00 34.83 31.88 2kl4 s MET 41 CO -0.17 -1.62 0.35 0.21 1.05 0.00 0.00 175.02 174.85 2kl4 s LYS 42 N 3.82 0.45 -1.59 4.11 2.20 -0.95 -4.72 119.74 123.06 2kl4 s LYS 42 Ca 0.24 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 2kl4 s LYS 42 Cb -0.16 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2kl4 s LYS 42 CO 0.14 -0.07 0.00 0.91 -0.36 0.00 0.00 175.35 175.97 2kl4 n TRP 43 N 2.69 -0.45 -1.02 4.03 7.02 -1.26 -0.18 117.44 128.27 2kl4 n TRP 43 Ca -0.14 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.27 2kl4 n TRP 43 Cb 0.57 -2.93 -0.03 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 -0.99 -3.88 -4.90 -0.99 2.85 -1.26 -4.99 115.26 101.10 2kl4 n ASN 44 Ca -0.16 0.16 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 2kl4 n ASN 44 Cb 0.54 -2.95 -0.05 0.00 1.24 0.00 0.00 39.78 38.56 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kl4 s THR 45 N -1.39 5.29 -0.64 -0.44 -4.23 0.75 -4.95 115.64 110.04 2kl4 s THR 45 Ca 0.00 -0.12 -0.27 0.00 -1.18 0.00 0.00 61.69 60.12 2kl4 s THR 45 Cb 0.00 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 2kl4 s THR 45 CO 0.00 0.15 1.66 -2.16 -0.54 0.00 0.00 174.62 173.73 2kl4 s PRO 46 N -2.40 2.84 0.34 3.99 0.04 -1.24 -2.24 135.00 136.34 2kl4 s PRO 46 Ca 0.36 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.84 2kl4 s PRO 46 Cb -0.13 -4.31 -0.06 0.00 0.04 0.00 0.00 34.50 30.04 2kl4 s PRO 46 CO 0.24 -2.50 -0.07 0.00 0.04 0.00 0.00 177.00 174.72 2kl4 s MET 47 N 6.54 1.89 0.29 4.56 0.23 -1.16 -2.98 119.30 128.66 2kl4 s MET 47 Ca 0.57 -1.88 0.03 0.00 -1.03 0.00 0.00 55.69 53.37 2kl4 s MET 47 Cb -0.11 -1.77 -0.06 0.00 -1.53 0.00 0.00 34.83 31.36 2kl4 s MET 47 CO 0.19 0.14 0.07 -0.06 -2.03 0.00 0.00 175.02 173.34 2kl4 s PHE 48 N -2.58 1.73 -0.03 3.16 0.40 -1.22 -2.46 117.98 116.99 2kl4 s PHE 48 Ca 0.33 -1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 55.58 2kl4 s PHE 48 Cb 0.02 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.49 2kl4 s PHE 48 CO 0.17 -0.16 0.07 -1.12 0.70 0.00 0.00 175.22 174.88 2kl4 s SER 49 N -3.39 -0.06 -0.86 1.36 0.01 0.19 -4.01 113.70 106.93 2kl4 s SER 49 Ca 0.37 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.51 2kl4 s SER 49 Cb 0.08 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.45 2kl4 s SER 49 CO 0.14 -0.04 1.57 0.21 0.41 0.00 0.00 173.24 175.54 2kl4 s ASN 50 N 0.16 5.94 -0.66 2.44 2.47 -0.64 -0.29 114.94 124.36 2kl4 s ASN 50 Ca -0.01 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 52.51 2kl4 s ASN 50 Cb -0.02 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2kl4 s ASN 50 CO -0.00 -1.99 0.00 0.00 -3.72 0.00 0.00 177.10 171.38 2kl4 n GLN 51 N 9.05 -1.62 0.00 0.43 6.02 -1.19 -1.87 117.38 128.20 2kl4 n GLN 51 Ca 0.25 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2kl4 n GLN 51 Cb 0.50 -4.45 0.00 0.00 1.02 0.00 0.00 30.24 27.31 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 0.16 1.42 3.76 1.08 0.00 -1.25 -5.08 105.19 105.29 2kl4 n GLY 52 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2kl4 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kl4 s THR 53 N -0.70 3.93 -0.04 2.61 2.01 -0.78 -4.91 115.64 117.76 2kl4 s THR 53 Ca 0.00 1.80 0.00 0.00 0.31 0.00 0.00 61.69 63.80 2kl4 s THR 53 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.42 2kl4 s THR 53 CO 0.00 0.32 0.32 0.33 -0.69 0.00 0.00 174.62 174.90 2kl4 n PHE 54 N 1.00 0.00 1.42 4.92 7.35 -1.26 -1.62 117.46 129.27 2kl4 n PHE 54 Ca 0.00 -0.16 0.11 0.00 -0.76 0.00 0.00 57.45 56.64 2kl4 n PHE 54 Cb 0.48 -0.14 0.65 0.00 0.35 0.00 0.00 39.48 40.81 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 0.81 0.00 -3.57 -2.13 5.41 -1.26 -4.75 119.36 113.87 2kl4 n ILE 55 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 2kl4 n ILE 55 Cb 0.16 -0.63 -0.06 0.00 -0.71 0.00 0.00 39.64 38.40 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 -0.28 1.39 2.07 -1.07 -4.20 121.20 117.10 2kl4 s ILE 56 Ca 0.33 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.35 2kl4 s ILE 56 Cb 0.15 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.87 2kl4 s ILE 56 CO 0.25 0.00 1.00 -0.83 -1.91 0.00 0.00 174.94 173.46 2kl4 s GLY 57 N -0.47 -0.11 0.21 1.50 0.00 -0.99 -3.38 107.32 104.08 2kl4 s GLY 57 Ca -0.05 2.84 0.01 0.00 0.00 0.00 0.00 44.72 47.52 2kl4 s GLY 57 CO 0.05 2.12 0.06 -0.11 0.00 0.00 0.00 173.10 175.23 2kl4 s PHE 58 N 0.67 1.29 0.17 1.90 -0.12 -1.16 -2.88 117.98 117.85 2kl4 s PHE 58 Ca -0.02 -1.16 -0.22 0.00 -0.05 0.00 0.00 56.93 55.48 2kl4 s PHE 58 Cb -0.05 -0.73 0.06 0.00 -0.63 0.00 0.00 43.02 41.68 2kl4 s PHE 58 CO -0.10 -0.36 0.59 -1.54 -0.05 0.00 0.00 175.22 173.76 2kl4 s SER 59 N -3.21 -0.51 -0.32 1.98 1.04 -1.06 -3.60 113.70 108.02 2kl4 s SER 59 Ca 0.32 -0.08 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 2kl4 s SER 59 Cb 0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2kl4 s SER 59 CO 0.09 -0.98 1.32 0.42 0.98 0.00 0.00 173.24 175.06 2kl4 s THR 60 N -3.77 4.10 0.97 2.02 -4.23 -1.26 -2.26 115.64 111.20 2kl4 s THR 60 Ca 0.02 1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 61.61 2kl4 s THR 60 Cb -0.01 -4.17 0.17 0.00 1.34 0.00 0.00 72.50 69.83 2kl4 s THR 60 CO -0.11 -0.54 1.14 -0.44 -0.54 0.00 0.00 174.62 174.13 2kl4 s SER 61 N 3.00 3.00 0.38 3.99 0.01 0.44 -4.96 113.70 119.56 2kl4 s SER 61 Ca 0.57 0.88 0.08 0.00 1.31 0.00 0.00 55.95 58.80 2kl4 s SER 61 Cb -0.16 -1.38 0.76 0.00 0.21 0.00 0.00 66.02 65.45 2kl4 s SER 61 CO 0.25 -2.86 1.92 0.50 0.41 0.00 0.00 173.24 173.47 2kl4 h LYS 62 N -1.71 0.32 0.00 12.44 3.64 -2.03 -3.30 116.57 125.93 2kl4 h LYS 62 Ca -0.50 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2kl4 h LYS 62 Cb 1.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kl4 h LYS 62 CO 0.56 0.40 -0.02 0.72 -2.27 0.00 0.00 179.45 178.83 2kl4 n HIS 63 N -4.30 0.00 -3.69 1.91 8.25 -1.26 -5.11 115.22 111.02 2kl4 n HIS 63 Ca -0.00 -0.08 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 2kl4 n HIS 63 Cb 0.24 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.35 2kl4 n HIS 63 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kl4 n HIS 64 N -0.08 -1.79 -4.15 4.41 1.44 -1.24 -2.89 115.22 110.91 2kl4 n HIS 64 Ca 0.00 -1.50 -0.30 0.00 -2.01 0.00 0.00 57.72 53.91 2kl4 n HIS 64 Cb 0.48 0.62 -0.16 0.00 0.12 0.00 0.00 29.99 31.04 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 1.74 0.10 2.39 2.96 -0.79 -0.42 118.68 124.66 2kl4 s LEU 65 Ca 0.15 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 2kl4 s LEU 65 Cb -0.03 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.42 2kl4 s LEU 65 CO 0.11 -0.03 1.00 -0.94 -1.32 0.00 0.00 176.35 175.17 2kl4 s SER 66 N 1.33 7.42 0.02 3.68 1.04 -0.96 -2.61 113.70 123.62 2kl4 s SER 66 Ca 0.02 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.26 2kl4 s SER 66 Cb -0.13 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 2kl4 s SER 66 CO -0.08 -0.15 -0.01 -0.69 0.98 0.00 0.00 173.24 173.28 2kl4 s VAL 67 N 0.23 0.10 0.13 5.02 1.01 0.07 -2.55 120.40 124.41 2kl4 s VAL 67 Ca 0.49 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 2kl4 s VAL 67 Cb -0.24 -0.26 0.07 0.00 0.00 0.00 0.00 36.38 35.95 2kl4 s VAL 67 CO 0.30 -0.46 0.63 -0.55 0.00 0.00 0.00 175.10 175.02 2kl4 s SER 68 N -1.37 -0.57 -0.11 3.32 0.15 -1.14 -1.12 113.70 112.86 2kl4 s SER 68 Ca -0.15 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.49 2kl4 s SER 68 Cb -0.09 0.58 -0.08 0.00 -1.71 0.00 0.00 66.02 64.72 2kl4 s SER 68 CO -0.01 -0.91 0.25 1.55 1.20 0.00 0.00 173.24 175.32 2kl4 h PRO 69 N 2.11 -0.02 0.00 5.44 0.13 -1.88 -2.62 132.00 135.17 2kl4 h PRO 69 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2kl4 h PRO 69 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kl4 h PRO 69 CO 0.38 0.28 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 2kl4 n GLU 70 N -4.74 0.00 0.00 0.86 1.02 -1.26 -2.61 120.64 113.90 2kl4 n GLU 70 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kl4 n GLU 70 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 2kl4 n GLU 70 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kl4 n GLU 71 N -0.16 0.00 0.18 3.49 1.02 -1.26 -4.65 120.64 119.27 2kl4 n GLU 71 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.32 2kl4 n GLU 71 Cb 0.00 -0.32 0.81 0.00 -0.02 0.00 0.00 31.44 31.91 2kl4 n GLU 71 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2kl4 h ILE 72 N 0.00 0.39 -0.94 -3.67 2.10 -1.98 -1.46 117.51 111.95 2kl4 h ILE 72 Ca 0.00 0.00 0.21 0.00 1.08 0.00 0.00 64.86 66.15 2kl4 h ILE 72 Cb 0.00 0.77 -0.08 0.00 -1.09 0.00 0.00 36.82 36.42 2kl4 h ILE 72 CO 0.00 0.00 0.61 1.23 -1.08 0.00 0.00 178.15 178.91 2kl4 h GLY 73 N 0.00 1.06 -1.45 8.18 0.00 -1.98 0.07 103.07 108.95 2kl4 h GLY 73 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2kl4 h GLY 73 CO -0.00 -0.02 0.00 1.39 0.00 0.00 0.00 176.54 177.90 2kl4 n ILE 74 N -4.56 1.46 0.00 2.60 2.08 -0.55 -3.65 119.36 116.73 2kl4 n ILE 74 Ca 0.21 -1.30 0.00 0.00 0.56 0.00 0.00 62.75 62.22 2kl4 n ILE 74 Cb 0.70 0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.82 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 0.20 2.43 -0.04 4.38 7.64 -0.68 -4.58 113.62 122.98 2kl4 n SER 75 Ca 0.15 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.02 2kl4 n SER 75 Cb 0.60 0.17 -0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.00 0.00 1.43 4.15 -1.26 -3.38 115.11 116.05 2kl4 h GLN 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kl4 h GLN 76 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2kl4 h GLN 76 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 178.83 178.09 2kl4 n PHE 77 N -3.78 0.00 0.03 3.99 3.01 -1.23 -4.13 117.46 115.35 2kl4 n PHE 77 Ca -0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.59 2kl4 n PHE 77 Cb 0.06 0.00 0.60 0.00 -0.01 0.00 0.00 39.48 40.13 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 3.95 2.20 -0.04 4.37 0.00 -1.74 -1.17 119.26 126.82 2kl4 h ALA 78 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kl4 h ALA 78 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kl4 h ALA 78 CO 0.00 -0.30 -0.09 0.22 0.00 0.00 0.00 179.25 179.07 2kl4 h ASP 79 N 0.16 0.14 -0.74 0.00 1.82 -1.87 -0.56 116.42 115.38 2kl4 h ASP 79 Ca 0.20 -0.60 0.02 0.00 -0.39 0.00 0.00 57.03 56.27 2kl4 h ASP 79 Cb 0.59 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.52 2kl4 h ASP 79 CO -0.03 0.72 0.47 0.00 -1.61 0.00 0.00 179.24 178.79 2kl4 h ALA 80 N 0.43 0.95 -0.21 -0.78 0.00 -1.74 -0.70 119.26 117.21 2kl4 h ALA 80 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kl4 h ALA 80 Cb 0.70 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kl4 h ALA 80 CO 0.02 0.29 0.08 0.82 0.00 0.00 0.00 179.25 180.47 2kl4 h ILE 81 N 0.94 0.96 0.09 0.00 2.04 -1.20 -0.80 117.51 119.54 2kl4 h ILE 81 Ca 0.28 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2kl4 h ILE 81 Cb -0.04 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2kl4 h ILE 81 CO -0.09 0.03 -0.08 0.00 0.00 0.00 0.00 178.15 178.01 2kl4 h ALA 82 N 1.12 -0.16 -0.55 1.87 0.00 -0.45 -2.58 119.26 118.51 2kl4 h ALA 82 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2kl4 h ALA 82 Cb 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kl4 h ALA 82 CO -0.08 -0.60 0.07 1.96 0.00 0.00 0.00 179.25 180.59 2kl4 h GLN 83 N -0.19 0.89 0.00 0.00 4.20 -1.10 -2.00 115.11 116.92 2kl4 h GLN 83 Ca 0.00 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2kl4 h GLN 83 Cb 0.18 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2kl4 h GLN 83 CO -0.02 0.85 -0.04 0.00 -0.67 0.00 0.00 178.83 178.95 2kl4 h ALA 84 N 1.22 1.21 0.00 3.87 0.00 -0.93 -3.46 119.26 121.17 2kl4 h ALA 84 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kl4 h ALA 84 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kl4 h ALA 84 CO 0.01 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2kl4 n GLY 85 N -0.85 1.40 3.10 0.00 0.00 -0.75 -5.09 105.19 103.01 2kl4 n GLY 85 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.51 -0.63 1.61 2.02 -1.00 -5.03 117.35 115.82 2kl4 s TYR 86 Ca 0.00 -2.56 -0.36 0.00 -0.37 0.00 0.00 57.07 53.78 2kl4 s TYR 86 Cb 0.00 -3.20 -0.17 0.00 -0.40 0.00 0.00 41.96 38.19 2kl4 s TYR 86 CO 0.00 -0.91 2.37 0.43 -1.57 0.00 0.00 175.55 175.87 2kl4 n SER 87 N 4.11 1.08 -4.69 2.29 7.64 -1.26 -4.62 113.62 118.16 2kl4 n SER 87 Ca 0.02 0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 2kl4 n SER 87 Cb 0.40 -1.06 0.10 0.00 -1.01 0.00 0.00 64.21 62.63 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 7.97 3.54 0.27 -0.43 0.00 -1.26 -3.78 121.76 128.07 2kl4 s ALA 88 Ca 1.21 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2kl4 s ALA 88 Cb -1.13 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kl4 s ALA 88 CO 0.52 -1.43 0.00 0.25 0.00 0.00 0.00 175.76 175.10 2kl4 n THR 89 N -2.86 0.00 0.28 0.00 -2.24 0.05 -4.92 114.28 104.60 2kl4 n THR 89 Ca 0.13 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 2kl4 n THR 89 Cb 0.60 -1.27 0.36 0.00 -2.10 0.00 0.00 70.33 67.93 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 1.57 -2.01 -3.41 116.57 111.94 2kl4 h LYS 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kl4 h LYS 90 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kl4 h LYS 90 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2kl4 n GLY 91 N 0.75 0.65 3.33 3.86 0.00 -1.26 -4.81 105.19 107.71 2kl4 n GLY 91 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.02 0.66 0.35 0.99 0.05 -1.26 -4.85 118.68 113.60 2kl4 s LEU 92 Ca 0.00 -0.51 0.06 0.00 0.05 0.00 0.00 54.13 53.74 2kl4 s LEU 92 Cb 0.00 1.61 -0.01 0.00 -2.05 0.00 0.00 46.19 45.74 2kl4 s LEU 92 CO 0.00 -0.87 0.50 0.72 -0.55 0.00 0.00 176.35 176.15 2kl4 s PHE 93 N -3.85 3.08 0.03 3.48 -0.12 -0.28 -0.77 117.98 119.55 2kl4 s PHE 93 Ca 0.07 -0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 56.72 2kl4 s PHE 93 Cb 0.02 -2.07 -0.02 0.00 -0.63 0.00 0.00 43.02 40.32 2kl4 s PHE 93 CO -0.08 -0.09 0.02 -0.98 -0.05 0.00 0.00 175.22 174.04 2kl4 s ARG 94 N -4.23 0.46 0.03 1.99 1.04 -1.25 -0.75 118.95 116.25 2kl4 s ARG 94 Ca 0.47 -0.74 0.09 0.00 -1.04 0.00 0.00 55.73 54.50 2kl4 s ARG 94 Cb -0.10 0.17 -0.03 0.00 -2.04 0.00 0.00 34.95 32.96 2kl4 s ARG 94 CO 0.32 -0.09 -0.24 0.42 -0.04 0.00 0.00 175.30 175.66 2kl4 s ILE 95 N -2.23 2.28 0.51 4.99 1.09 -1.07 -4.27 121.20 122.50 2kl4 s ILE 95 Ca -0.09 -1.29 -0.20 0.00 -1.10 0.00 0.00 60.65 57.97 2kl4 s ILE 95 Cb -0.04 -1.89 -0.07 0.00 -1.06 0.00 0.00 42.46 39.40 2kl4 s ILE 95 CO -0.03 0.40 1.10 -2.16 -0.10 0.00 0.00 174.94 174.14 2kl4 s PRO 96 N -1.17 3.57 0.24 2.79 0.04 -1.26 -1.88 135.00 137.33 2kl4 s PRO 96 Ca 0.12 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 2kl4 s PRO 96 Cb -0.10 -2.09 0.32 0.00 0.04 0.00 0.00 34.50 32.66 2kl4 s PRO 96 CO 0.02 -0.66 1.87 -1.49 0.04 0.00 0.00 177.00 176.78 2kl4 h TRP 97 N 1.45 1.05 -0.72 0.56 -0.00 -1.87 -2.54 115.95 113.89 2kl4 h TRP 97 Ca -0.50 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 58.52 2kl4 h TRP 97 Cb 1.25 -0.35 -0.07 0.00 -0.00 0.00 0.00 29.16 29.99 2kl4 h TRP 97 CO 0.53 0.57 0.35 -0.97 -0.00 0.00 0.00 178.44 178.92 2kl4 h ASN 98 N 1.06 0.44 -2.83 -3.49 -1.24 -1.93 -3.44 115.58 104.14 2kl4 h ASN 98 Ca 0.37 0.07 -0.63 0.00 0.71 0.00 0.00 56.30 56.82 2kl4 h ASN 98 Cb 0.09 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.09 2kl4 h ASN 98 CO -0.15 0.24 -0.49 -0.62 -1.29 0.00 0.00 177.43 175.12 2kl4 s ASP 99 N -5.47 6.38 0.25 1.15 2.15 -0.96 -5.03 116.67 115.14 2kl4 s ASP 99 Ca -0.13 0.34 -0.30 0.00 0.43 0.00 0.00 52.55 52.90 2kl4 s ASP 99 Cb 0.18 -2.00 -0.09 0.00 -0.30 0.00 0.00 42.92 40.71 2kl4 s ASP 99 CO 0.76 0.24 1.09 -2.16 -0.17 0.00 0.00 175.17 174.93 2kl4 s PRO 100 N -2.05 4.65 0.55 4.34 0.04 -1.26 -4.69 135.00 136.58 2kl4 s PRO 100 Ca 0.29 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 2kl4 s PRO 100 Cb -0.13 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 2kl4 s PRO 100 CO 0.20 0.21 1.13 0.54 0.04 0.00 0.00 177.00 179.12 2kl4 s VAL 101 N -0.97 3.16 -0.88 -0.36 0.11 -1.26 -4.98 120.40 115.22 2kl4 s VAL 101 Ca 0.45 0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2kl4 s VAL 101 Cb -0.31 -3.28 0.26 0.00 -1.53 0.00 0.00 36.38 31.52 2kl4 s VAL 101 CO 0.39 -0.16 1.01 1.57 -3.33 0.00 0.00 175.10 174.58 2kl4 n HIS 102 N -1.34 3.43 0.27 1.54 -0.00 -1.26 -4.91 115.22 112.95 2kl4 n HIS 102 Ca 0.12 -3.63 0.17 0.00 0.46 0.00 0.00 57.72 54.84 2kl4 n HIS 102 Cb 0.51 -1.01 0.92 0.00 -0.12 0.00 0.00 29.99 30.29 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 5.24 0.00 0.60 1.57 -1.99 -1.98 -1.43 116.97 118.97 2kl4 h TYR 103 Ca 0.19 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.89 2kl4 h TYR 103 Cb 0.70 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.43 2kl4 h TYR 103 CO 0.82 0.00 -0.29 1.49 -0.00 0.00 0.00 178.16 180.18 2kl4 h GLU 104 N 0.00 -0.77 -0.71 4.88 4.81 -1.99 -1.18 114.58 119.62 2kl4 h GLU 104 Ca 0.04 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2kl4 h GLU 104 Cb 0.27 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 29.74 2kl4 h GLU 104 CO -0.00 -0.51 0.24 -0.07 -0.73 0.00 0.00 179.01 177.94 2kl4 h LEU 105 N -1.20 0.18 0.12 1.64 -0.00 -1.86 -1.24 115.31 112.96 2kl4 h LEU 105 Ca -0.08 0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 2kl4 h LEU 105 Cb 0.61 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.36 2kl4 h LEU 105 CO 0.13 0.07 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.34 2kl4 h LEU 106 N 0.38 -0.65 -0.46 1.67 3.38 -1.33 -3.08 115.31 115.22 2kl4 h LEU 106 Ca 0.39 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.29 2kl4 h LEU 106 Cb 0.58 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2kl4 h LEU 106 CO -0.41 -0.32 -0.26 0.07 0.09 0.00 0.00 178.44 177.61 2kl4 h LYS 107 N -0.44 0.98 -0.52 1.13 2.10 -0.10 -2.67 116.57 117.05 2kl4 h LYS 107 Ca 0.03 -0.44 0.08 0.00 -2.00 0.00 0.00 60.65 58.31 2kl4 h LYS 107 Cb 0.45 -0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 31.66 2kl4 h LYS 107 CO -0.13 1.12 -0.45 1.96 -2.00 0.00 0.00 179.45 179.95 2kl4 h GLN 108 N 0.83 -0.26 -0.16 0.07 4.20 -1.30 -1.90 115.11 116.59 2kl4 h GLN 108 Ca 0.10 0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 2kl4 h GLN 108 Cb 0.84 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2kl4 h GLN 108 CO 0.07 -0.17 -0.50 0.00 -0.67 0.00 0.00 178.83 177.56 2kl4 h MET 109 N -0.27 0.62 -0.42 1.46 -0.00 -1.44 -2.33 114.93 112.55 2kl4 h MET 109 Ca 0.15 -0.45 -0.08 0.00 -0.00 0.00 0.00 59.70 59.32 2kl4 h MET 109 Cb 0.57 0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.23 2kl4 h MET 109 CO -0.65 1.07 -0.05 0.97 -0.00 0.00 0.00 176.91 178.25 2kl4 h ILE 110 N 0.29 1.27 -0.74 -0.10 -0.00 -1.35 0.49 117.51 117.36 2kl4 h ILE 110 Ca -0.02 -1.12 -0.06 0.00 -0.00 0.00 0.00 64.86 63.66 2kl4 h ILE 110 Cb 1.12 1.14 -0.03 0.00 -0.00 0.00 0.00 36.82 39.05 2kl4 h ILE 110 CO 0.11 0.38 0.22 -0.33 -0.00 0.00 0.00 178.15 178.52 2kl4 h GLU 111 N 0.61 1.16 -0.27 2.19 5.08 -1.37 -1.43 114.58 120.54 2kl4 h GLU 111 Ca 0.11 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2kl4 h GLU 111 Cb 0.56 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kl4 h GLU 111 CO 0.03 0.99 0.13 0.35 -1.00 0.00 0.00 179.01 179.52 2kl4 h PHE 112 N 1.11 0.39 0.00 4.33 3.57 -1.27 -2.84 116.94 122.22 2kl4 h PHE 112 Ca 0.24 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2kl4 h PHE 112 Cb 0.33 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2kl4 h PHE 112 CO 0.03 0.35 -0.01 -0.97 -2.23 0.00 0.00 178.31 175.48 2kl4 h ASN 113 N 0.31 0.00 0.26 0.41 -0.00 0.15 0.33 115.58 117.04 2kl4 h ASN 113 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.38 2kl4 h ASN 113 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.43 2kl4 h ASN 113 CO -0.01 0.01 -0.12 0.40 -0.00 0.00 0.00 177.43 177.70 2kl4 h ILE 114 N 0.00 0.00 0.00 2.57 2.04 -1.34 -3.38 117.51 117.40 2kl4 h ILE 114 Ca -0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2kl4 h ILE 114 Cb 0.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2kl4 h ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2kl4 n GLN 115 N -4.56 0.56 0.29 2.37 10.64 -0.20 -1.19 117.38 125.29 2kl4 n GLN 115 Ca -0.04 0.03 0.19 0.00 -1.83 0.00 0.00 57.00 55.35 2kl4 n GLN 115 Cb 0.14 -1.50 0.84 0.00 -0.86 0.00 0.00 30.24 28.85 2kl4 n GLN 115 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2kl4 h ASP 116 N 0.00 0.00 -0.33 2.61 3.58 -0.59 -3.16 116.42 118.52 2kl4 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kl4 h ASP 116 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kl4 h ASP 116 CO 0.00 0.01 0.00 0.29 -2.88 0.00 0.00 179.24 176.66 2kl4 n LYS 117 N -3.10 2.24 0.00 0.28 4.76 -0.33 -5.11 118.16 116.90 2kl4 n LYS 117 Ca -0.00 -2.04 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 2kl4 n LYS 117 Cb 0.24 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42