#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 0.68 0.00 1.61 0.01 -1.26 -5.03 113.70 109.71 2kl4 s SER 2 Ca 0.00 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2kl4 s SER 2 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2kl4 s SER 2 CO 0.00 -4.33 0.00 0.00 0.41 0.00 0.00 173.24 169.32 2kl4 n HIS 3 N -4.96 0.00 0.01 2.43 -0.00 -1.26 -4.89 115.22 106.56 2kl4 n HIS 3 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.86 2kl4 n HIS 3 Cb 0.57 0.10 0.48 0.00 -0.00 0.00 0.00 29.99 31.14 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 0.43 -0.74 -1.40 0.00 -1.99 -2.33 114.93 108.90 2kl4 h MET 4 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 59.70 59.73 2kl4 h MET 4 Cb 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 31.60 31.61 2kl4 h MET 4 CO 0.00 0.28 0.48 1.05 0.00 0.00 0.00 176.91 178.73 2kl4 h GLU 5 N 0.44 0.76 -0.39 1.72 4.11 -2.00 -0.67 114.58 118.55 2kl4 h GLU 5 Ca 0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.53 2kl4 h GLU 5 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2kl4 h GLU 5 CO -0.04 0.51 0.17 0.28 0.07 0.00 0.00 179.01 179.99 2kl4 h VAL 6 N 0.79 1.19 -0.00 -1.06 2.07 -1.80 -3.27 116.25 114.17 2kl4 h VAL 6 Ca 0.31 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2kl4 h VAL 6 Cb 0.23 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2kl4 h VAL 6 CO -0.10 0.21 -0.51 0.49 0.02 0.00 0.00 177.57 177.67 2kl4 n PHE 7 N -4.67 0.00 -0.12 1.57 3.72 -0.61 -4.40 117.46 112.96 2kl4 n PHE 7 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 2kl4 n PHE 7 Cb 0.13 -0.21 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 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 3.08 0.46 -0.12 4.37 0.00 -1.21 -2.52 119.26 123.31 2kl4 h ALA 8 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kl4 h ALA 8 Cb 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kl4 h ALA 8 CO 0.00 0.04 0.12 0.93 0.00 0.00 0.00 179.25 180.34 2kl4 h GLU 9 N 0.43 0.00 0.01 0.00 5.08 -1.80 -0.57 114.58 117.73 2kl4 h GLU 9 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2kl4 h GLU 9 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kl4 h GLU 9 CO -0.01 0.00 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.07 2kl4 h TYR 10 N 0.00 -0.01 -0.37 4.33 3.20 -1.75 -1.58 116.97 120.79 2kl4 h TYR 10 Ca 0.06 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.00 2kl4 h TYR 10 Cb 0.29 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 2kl4 h TYR 10 CO 0.00 0.81 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.15 2kl4 h LEU 11 N -0.88 -0.40 -0.75 2.82 4.07 -1.18 0.11 115.31 119.10 2kl4 h LEU 11 Ca -0.00 0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.11 2kl4 h LEU 11 Cb 0.83 0.25 -0.05 0.00 1.08 0.00 0.00 40.66 42.77 2kl4 h LEU 11 CO 0.00 -0.14 0.47 0.11 -1.08 0.00 0.00 178.44 177.79 2kl4 h LYS 12 N -0.03 0.87 -0.36 1.13 1.57 -1.24 -3.04 116.57 115.47 2kl4 h LYS 12 Ca 0.18 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2kl4 h LYS 12 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kl4 h LYS 12 CO -0.40 0.58 -0.12 0.78 -0.57 0.00 0.00 179.45 179.72 2kl4 h GLY 13 N 0.90 0.69 -7.04 3.86 0.00 0.06 -3.42 103.07 98.12 2kl4 h GLY 13 Ca 0.30 -0.50 -0.62 0.00 0.00 0.00 0.00 47.33 46.51 2kl4 h GLY 13 CO -0.12 0.46 1.48 1.39 0.00 0.00 0.00 176.54 179.75 2kl4 n ILE 14 N -4.18 0.21 1.10 2.60 5.41 0.18 -4.81 119.36 119.88 2kl4 n ILE 14 Ca 0.01 -0.38 0.10 0.00 1.00 0.00 0.00 62.75 63.48 2kl4 n ILE 14 Cb 0.35 -2.06 0.56 0.00 -0.71 0.00 0.00 39.64 37.78 2kl4 n ILE 14 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2kl4 n ASP 15 N 11.15 0.00 -3.68 4.38 2.03 -1.26 -4.16 116.55 125.00 2kl4 n ASP 15 Ca 0.38 -0.26 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 2kl4 n ASP 15 Cb 0.33 -0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kl4 n HIS 16 N -1.17 3.15 0.32 -0.67 8.25 -1.26 -4.96 115.22 118.87 2kl4 n HIS 16 Ca 0.12 -4.20 0.20 0.00 -0.26 0.00 0.00 57.72 53.58 2kl4 n HIS 16 Cb 0.13 -0.56 1.05 0.00 1.12 0.00 0.00 29.99 31.72 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 4.90 0.00 0.00 -0.41 0.13 -1.95 -1.32 132.00 133.35 2kl4 h PRO 17 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kl4 h PRO 17 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kl4 h PRO 17 CO 0.74 0.01 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 -1.95 -3.22 116.42 116.01 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 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2kl4 h ASP 18 CO 0.00 0.00 -0.82 1.41 -1.72 0.00 0.00 179.24 178.11 2kl4 n HIS 19 N -3.06 0.00 -0.26 4.55 8.25 -0.65 -4.66 115.22 119.40 2kl4 n HIS 19 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 2kl4 n HIS 19 Cb 0.16 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.46 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 0.26 -1.07 -0.41 2.43 -1.29 -1.60 114.38 112.70 2kl4 h ARG 20 Ca 0.00 -0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.45 2kl4 h ARG 20 Cb 0.33 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 2kl4 h ARG 20 CO 0.00 0.17 0.74 0.22 -1.51 0.00 0.00 179.97 179.59 2kl4 h ASP 21 N 0.27 0.19 0.53 -3.80 3.58 -1.83 0.24 116.42 115.59 2kl4 h ASP 21 Ca 0.43 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2kl4 h ASP 21 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2kl4 h ASP 21 CO -0.53 0.04 0.00 0.54 -2.88 0.00 0.00 179.24 176.41 2kl4 n ARG 22 N -4.38 0.17 -0.11 0.28 5.12 -0.60 -3.04 116.66 114.09 2kl4 n ARG 22 Ca 0.24 0.47 -0.14 0.00 -1.93 0.00 0.00 57.85 56.49 2kl4 n ARG 22 Cb 1.04 -1.87 -0.13 0.00 -1.16 0.00 0.00 32.46 30.34 2kl4 n ARG 22 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2kl4 n THR 23 N -2.20 1.38 0.20 0.55 -1.04 0.83 -3.63 114.28 110.37 2kl4 n THR 23 Ca 0.01 -0.66 0.07 0.00 -2.04 0.00 0.00 64.05 61.43 2kl4 n THR 23 Cb 0.17 -0.99 0.41 0.00 -1.82 0.00 0.00 70.33 68.10 2kl4 n THR 23 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kl4 h GLU 24 N 0.00 0.00 0.44 -2.82 4.11 -1.56 -0.30 114.58 114.45 2kl4 h GLU 24 Ca -0.54 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.88 2kl4 h GLU 24 Cb 2.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 2kl4 h GLU 24 CO -0.04 0.32 -0.38 0.93 0.07 0.00 0.00 179.01 179.92 2kl4 h GLU 25 N 0.00 -0.78 -0.76 1.06 4.39 -1.69 -2.56 114.58 114.25 2kl4 h GLU 25 Ca -0.00 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.80 2kl4 h GLU 25 Cb 0.77 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 2kl4 h GLU 25 CO 0.04 -0.52 0.46 0.82 -1.16 0.00 0.00 179.01 178.66 2kl4 h ILE 26 N -0.80 1.04 -0.12 3.13 2.04 -1.60 -1.51 117.51 119.70 2kl4 h ILE 26 Ca -0.06 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2kl4 h ILE 26 Cb 0.68 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2kl4 h ILE 26 CO -0.01 0.16 -0.01 -0.07 0.00 0.00 0.00 178.15 178.22 2kl4 h LEU 27 N 0.87 -0.06 -0.91 1.44 3.38 -1.01 0.44 115.31 119.46 2kl4 h LEU 27 Ca 0.32 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 2kl4 h LEU 27 Cb 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2kl4 h LEU 27 CO -0.15 -0.01 -0.04 0.28 0.09 0.00 0.00 178.44 178.60 2kl4 h SER 28 N 0.03 0.73 0.20 -0.43 0.02 -1.37 -1.79 113.55 110.94 2kl4 h SER 28 Ca 0.05 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2kl4 h SER 28 Cb 0.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2kl4 h SER 28 CO -0.10 0.83 -0.20 -0.25 -1.14 0.00 0.00 176.83 175.97 2kl4 h TRP 29 N 0.70 -0.52 -0.68 3.45 7.01 -0.55 -1.02 115.95 124.34 2kl4 h TRP 29 Ca 0.13 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 2kl4 h TRP 29 Cb 0.49 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 2kl4 h TRP 29 CO 0.02 -0.30 0.29 0.28 -2.79 0.00 0.00 178.44 175.95 2kl4 h VAL 30 N -0.43 1.24 0.00 2.65 2.07 -0.91 1.00 116.25 121.87 2kl4 h VAL 30 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2kl4 h VAL 30 Cb 0.40 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2kl4 h VAL 30 CO -0.05 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2kl4 n ALA 31 N -2.39 2.15 0.03 1.67 0.00 -0.68 -1.71 120.51 119.58 2kl4 n ALA 31 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kl4 n ALA 31 Cb 0.16 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.75 2.85 0.12 0.00 0.00 -0.41 -4.74 120.51 117.57 2kl4 n ALA 32 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.50 2kl4 n ALA 32 Cb 0.03 0.17 0.41 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.05 1.16 -2.21 0.00 2.02 -0.94 -3.33 112.91 109.57 2kl4 h THR 33 Ca 0.00 -0.68 -0.59 0.00 0.77 0.00 0.00 66.41 65.91 2kl4 h THR 33 Cb 0.05 1.14 -0.42 0.00 -1.74 0.00 0.00 68.15 67.18 2kl4 h THR 33 CO 0.00 0.21 -0.66 0.49 0.37 0.00 0.00 175.52 175.94 2kl4 n PHE 34 N -4.31 3.48 0.71 3.16 3.72 -0.69 -4.90 117.46 118.63 2kl4 n PHE 34 Ca -0.01 -4.06 0.11 0.00 -0.05 0.00 0.00 57.45 53.44 2kl4 n PHE 34 Cb 0.24 -0.52 0.46 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.47 0.04 0.31 -1.08 -0.04 -1.25 -1.70 135.00 131.75 2kl4 n PRO 35 Ca 0.30 0.16 0.19 0.00 -0.04 0.00 0.00 63.50 64.11 2kl4 n PRO 35 Cb 0.42 -1.56 1.06 0.00 -0.04 0.00 0.00 33.50 33.38 2kl4 n PRO 35 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2kl4 h ASN 36 N 0.00 0.00 -3.32 3.54 7.08 -1.93 -3.43 115.58 117.52 2kl4 h ASN 36 Ca 0.00 0.00 -0.48 0.00 -3.08 0.00 0.00 56.30 52.74 2kl4 h ASN 36 Cb 0.41 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.68 2kl4 h ASN 36 CO 0.00 0.00 0.02 -0.76 -2.08 0.00 0.00 177.43 174.61 2kl4 s LEU 37 N -6.68 3.71 0.05 6.14 1.43 -0.69 -3.55 118.68 119.08 2kl4 s LEU 37 Ca -0.05 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2kl4 s LEU 37 Cb 0.13 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 2kl4 s LEU 37 CO 0.45 -0.54 -0.09 -1.61 0.23 0.00 0.00 176.35 174.78 2kl4 s GLU 38 N -4.63 0.59 0.47 1.70 0.41 0.43 -4.91 118.70 112.75 2kl4 s GLU 38 Ca 0.46 -0.78 -0.23 0.00 -0.41 0.00 0.00 54.97 54.01 2kl4 s GLU 38 Cb -0.10 -0.42 -0.07 0.00 -1.78 0.00 0.00 34.13 31.76 2kl4 s GLU 38 CO 0.42 0.08 1.19 -1.25 -0.49 0.00 0.00 175.26 175.22 2kl4 s PRO 39 N -1.55 3.70 -0.28 0.39 0.04 -1.26 -0.54 135.00 135.50 2kl4 s PRO 39 Ca -0.08 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 2kl4 s PRO 39 Cb -0.10 -2.40 0.13 0.00 0.04 0.00 0.00 34.50 32.16 2kl4 s PRO 39 CO 0.01 -0.62 0.59 -1.14 0.04 0.00 0.00 177.00 175.88 2kl4 s GLN 40 N -2.70 0.52 -0.26 4.56 0.74 -0.95 -4.74 119.66 116.82 2kl4 s GLN 40 Ca 0.64 1.31 -0.25 0.00 0.05 0.00 0.00 55.36 57.11 2kl4 s GLN 40 Cb -0.30 0.71 0.00 0.00 1.10 0.00 0.00 33.01 34.51 2kl4 s GLN 40 CO 0.37 -0.25 0.88 1.41 -0.55 0.00 0.00 175.29 177.15 2kl4 s MET 41 N 2.82 4.14 -0.03 1.67 -2.45 -1.26 -1.70 119.30 122.49 2kl4 s MET 41 Ca -0.03 0.95 -0.02 0.00 -1.25 0.00 0.00 55.69 55.34 2kl4 s MET 41 Cb -0.12 -3.67 0.02 0.00 1.25 0.00 0.00 34.83 32.30 2kl4 s MET 41 CO -0.18 -0.61 0.06 0.21 1.05 0.00 0.00 175.02 175.56 2kl4 s LYS 42 N 3.01 0.05 -1.68 4.11 2.47 -0.45 -4.85 119.74 122.39 2kl4 s LYS 42 Ca 0.37 0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 2kl4 s LYS 42 Cb -0.15 -0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.16 2kl4 s LYS 42 CO 0.09 -0.07 0.00 0.91 0.16 0.00 0.00 175.35 176.44 2kl4 n TRP 43 N 3.48 -0.58 -0.99 4.03 7.02 -1.26 -0.27 117.44 128.87 2kl4 n TRP 43 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 2kl4 n TRP 43 Cb 0.56 -3.21 0.00 0.00 -2.42 0.00 0.00 31.31 26.25 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 -1.34 -4.31 -4.57 -0.99 5.15 -1.26 -5.02 115.26 102.92 2kl4 n ASN 44 Ca -0.18 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.48 2kl4 n ASN 44 Cb 0.60 -1.98 -0.11 0.00 -0.53 0.00 0.00 39.78 37.76 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 -1.54 3.48 0.02 -0.44 -4.23 0.63 -5.00 115.64 108.56 2kl4 s THR 45 Ca 0.00 -0.82 -0.30 0.00 -1.18 0.00 0.00 61.69 59.38 2kl4 s THR 45 Cb 0.00 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 2kl4 s THR 45 CO 0.00 0.40 1.41 -2.16 -0.54 0.00 0.00 174.62 173.73 2kl4 s PRO 46 N -1.36 4.29 0.29 3.99 0.04 -1.23 -1.34 135.00 139.68 2kl4 s PRO 46 Ca 0.16 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.22 2kl4 s PRO 46 Cb -0.11 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 2kl4 s PRO 46 CO 0.06 -0.56 0.10 0.00 0.04 0.00 0.00 177.00 176.65 2kl4 s MET 47 N 2.21 1.54 -0.23 4.56 0.23 -0.69 -2.22 119.30 124.70 2kl4 s MET 47 Ca 0.64 -1.85 -0.04 0.00 -1.03 0.00 0.00 55.69 53.41 2kl4 s MET 47 Cb -0.32 -0.39 0.08 0.00 -1.53 0.00 0.00 34.83 32.67 2kl4 s MET 47 CO 0.27 -0.32 0.09 -0.06 -2.03 0.00 0.00 175.02 172.98 2kl4 s PHE 48 N -3.59 0.54 -0.04 3.16 0.08 -1.26 -2.24 117.98 114.63 2kl4 s PHE 48 Ca 0.36 -0.74 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 2kl4 s PHE 48 Cb 0.07 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2kl4 s PHE 48 CO 0.15 -0.67 1.21 -1.54 -0.10 0.00 0.00 175.22 174.26 2kl4 s SER 49 N 2.02 7.05 -1.11 1.36 1.04 0.30 -4.52 113.70 119.84 2kl4 s SER 49 Ca 0.05 1.85 -0.22 0.00 0.48 0.00 0.00 55.95 58.10 2kl4 s SER 49 Cb -0.16 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 2kl4 s SER 49 CO -0.20 -0.58 1.85 0.21 0.98 0.00 0.00 173.24 175.50 2kl4 s ASN 50 N 1.46 5.56 0.00 7.02 2.47 -1.26 -0.43 114.94 129.76 2kl4 s ASN 50 Ca 0.56 -1.52 0.00 0.00 0.42 0.00 0.00 52.86 52.33 2kl4 s ASN 50 Cb -0.25 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 36.97 2kl4 s ASN 50 CO 0.23 -2.46 0.00 0.00 -3.72 0.00 0.00 177.10 171.15 2kl4 n GLN 51 N 8.53 0.00 0.00 0.43 6.02 -1.23 -3.12 117.38 128.00 2kl4 n GLN 51 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2kl4 n GLN 51 Cb 0.47 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.43 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 -0.69 0.00 2.38 1.08 0.00 -1.26 -5.05 105.19 101.65 2kl4 n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.90 2.61 -1.04 -1.18 -5.09 114.28 107.68 2kl4 n THR 53 Ca 0.00 -1.64 0.01 0.00 -2.04 0.00 0.00 64.05 60.37 2kl4 n THR 53 Cb 0.00 0.50 0.14 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.71 0.48 0.97 -1.42 7.35 -1.26 -4.19 117.46 118.67 2kl4 n PHE 54 Ca -0.08 -1.45 0.08 0.00 -0.76 0.00 0.00 57.45 55.25 2kl4 n PHE 54 Cb 0.43 -0.24 0.47 0.00 0.35 0.00 0.00 39.48 40.48 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 -0.72 0.09 -3.56 -2.13 5.41 -1.26 -4.75 119.36 112.44 2kl4 n ILE 55 Ca 0.20 0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.81 2kl4 n ILE 55 Cb 0.83 -0.77 -0.06 0.00 -0.71 0.00 0.00 39.64 38.93 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 -2.09 0.00 0.08 1.39 2.07 -0.96 -4.17 121.20 117.52 2kl4 s ILE 56 Ca 0.23 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.21 2kl4 s ILE 56 Cb 0.11 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.77 2kl4 s ILE 56 CO 0.19 0.00 0.62 -0.83 -1.91 0.00 0.00 174.94 173.02 2kl4 s GLY 57 N -0.76 -0.59 0.04 1.50 0.00 -1.14 -3.98 107.32 102.39 2kl4 s GLY 57 Ca -0.07 0.79 -0.10 0.00 0.00 0.00 0.00 44.72 45.34 2kl4 s GLY 57 CO 0.06 0.45 0.21 -0.11 0.00 0.00 0.00 173.10 173.72 2kl4 s PHE 58 N -2.76 0.03 0.03 1.90 -0.71 -0.94 -3.18 117.98 112.36 2kl4 s PHE 58 Ca -0.04 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.56 2kl4 s PHE 58 Cb -0.01 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.78 2kl4 s PHE 58 CO -0.04 -0.45 0.07 0.45 -1.34 0.00 0.00 175.22 173.91 2kl4 s SER 59 N -2.14 0.19 0.75 1.98 0.15 -0.80 -3.51 113.70 110.32 2kl4 s SER 59 Ca -0.04 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 55.99 2kl4 s SER 59 Cb -0.01 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.54 2kl4 s SER 59 CO -0.04 -0.45 1.09 0.42 1.20 0.00 0.00 173.24 175.45 2kl4 s THR 60 N -2.28 3.46 0.36 6.45 -4.23 -1.26 -0.69 115.64 117.44 2kl4 s THR 60 Ca -0.08 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2kl4 s THR 60 Cb -0.03 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 2kl4 s THR 60 CO -0.03 -0.61 0.44 -0.44 -0.54 0.00 0.00 174.62 173.45 2kl4 s SER 61 N -3.41 1.23 0.08 3.99 0.01 -0.41 -4.77 113.70 110.41 2kl4 s SER 61 Ca 0.61 -1.60 -0.36 0.00 1.31 0.00 0.00 55.95 55.91 2kl4 s SER 61 Cb -0.17 0.66 -0.18 0.00 0.21 0.00 0.00 66.02 66.54 2kl4 s SER 61 CO 0.55 -1.28 1.55 0.11 0.41 0.00 0.00 173.24 174.58 2kl4 h LYS 62 N 2.08 -1.06 0.00 12.44 1.57 -1.98 -3.32 116.57 126.29 2kl4 h LYS 62 Ca -0.27 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2kl4 h LYS 62 Cb 1.24 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2kl4 h LYS 62 CO 0.38 -0.70 0.00 0.72 -0.57 0.00 0.00 179.45 179.27 2kl4 n HIS 63 N -5.52 0.00 -3.99 -1.35 8.25 -1.26 -5.04 115.22 106.32 2kl4 n HIS 63 Ca -0.13 -0.40 -0.10 0.00 -0.26 0.00 0.00 57.72 56.83 2kl4 n HIS 63 Cb 0.48 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 2kl4 n HIS 63 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kl4 s HIS 64 N -0.80 0.44 0.22 4.41 -3.43 -1.25 -1.56 115.29 113.32 2kl4 s HIS 64 Ca 0.00 -0.82 0.05 0.00 -0.80 0.00 0.00 55.06 53.48 2kl4 s HIS 64 Cb 0.00 0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 31.36 2kl4 s HIS 64 CO 0.00 -1.11 0.32 -1.17 -2.00 0.00 0.00 174.74 170.78 2kl4 s LEU 65 N -3.06 4.24 -0.21 5.38 2.96 -0.90 -1.29 118.68 125.80 2kl4 s LEU 65 Ca 0.23 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2kl4 s LEU 65 Cb -0.02 -2.78 0.05 0.00 0.50 0.00 0.00 46.19 43.94 2kl4 s LEU 65 CO 0.12 -0.04 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.08 2kl4 s SER 66 N -3.80 3.53 0.05 3.68 1.04 0.13 -3.17 113.70 115.16 2kl4 s SER 66 Ca 0.34 -0.98 0.07 0.00 0.48 0.00 0.00 55.95 55.86 2kl4 s SER 66 Cb -0.09 -1.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.80 2kl4 s SER 66 CO 0.28 -0.18 -0.19 -0.69 0.98 0.00 0.00 173.24 173.45 2kl4 s VAL 67 N 1.40 1.52 -0.01 5.02 1.01 0.19 -1.90 120.40 127.64 2kl4 s VAL 67 Ca -0.03 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.46 2kl4 s VAL 67 Cb -0.17 -1.34 0.10 0.00 0.00 0.00 0.00 36.38 34.96 2kl4 s VAL 67 CO -0.07 0.10 0.85 -0.55 0.00 0.00 0.00 175.10 175.42 2kl4 s SER 68 N -1.29 -0.42 -0.11 3.32 0.15 -1.19 -0.49 113.70 113.66 2kl4 s SER 68 Ca 0.06 0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.71 2kl4 s SER 68 Cb -0.09 0.42 -0.10 0.00 -1.71 0.00 0.00 66.02 64.53 2kl4 s SER 68 CO 0.02 -0.63 0.36 1.55 1.20 0.00 0.00 173.24 175.74 2kl4 h PRO 69 N 2.17 -0.04 0.00 5.44 0.13 -1.84 -3.02 132.00 134.85 2kl4 h PRO 69 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2kl4 h PRO 69 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kl4 h PRO 69 CO 0.33 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 2kl4 n GLU 70 N -4.75 0.00 0.00 0.86 1.02 -1.26 -2.26 120.64 114.25 2kl4 n GLU 70 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2kl4 n GLU 70 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 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 -0.47 0.00 -0.07 3.49 0.28 -1.26 -4.87 120.64 117.74 2kl4 n GLU 71 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 2kl4 n GLU 71 Cb 0.00 -0.03 0.45 0.00 1.43 0.00 0.00 31.44 33.29 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 0.99 -0.81 3.84 2.10 -1.99 0.28 117.51 121.92 2kl4 h ILE 72 Ca 0.00 -0.18 0.18 0.00 1.08 0.00 0.00 64.86 65.95 2kl4 h ILE 72 Cb 0.00 0.43 -0.15 0.00 -1.09 0.00 0.00 36.82 36.01 2kl4 h ILE 72 CO 0.00 0.10 -0.06 1.23 -1.08 0.00 0.00 178.15 178.34 2kl4 h GLY 73 N 0.52 0.83 -0.30 8.18 0.00 -1.89 0.85 103.07 111.26 2kl4 h GLY 73 Ca 0.24 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2kl4 h GLY 73 CO -0.07 -0.33 -0.15 1.39 0.00 0.00 0.00 176.54 177.39 2kl4 n ILE 74 N -5.43 0.00 -0.07 2.60 2.08 0.07 -2.06 119.36 116.55 2kl4 n ILE 74 Ca 0.15 -0.21 -0.14 0.00 0.56 0.00 0.00 62.75 63.10 2kl4 n ILE 74 Cb 0.50 0.58 -0.05 0.00 -0.75 0.00 0.00 39.64 39.92 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 -0.12 1.53 -0.02 4.38 7.64 -0.62 -4.41 113.62 122.00 2kl4 n SER 75 Ca 0.15 0.26 -0.06 0.00 1.01 0.00 0.00 58.87 60.23 2kl4 n SER 75 Cb 0.38 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.70 -0.07 0.00 1.43 5.75 -1.03 -3.34 115.11 117.14 2kl4 h GLN 76 Ca -0.26 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2kl4 h GLN 76 Cb 1.08 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.65 2kl4 h GLN 76 CO -0.16 0.24 -0.06 0.74 -2.65 0.00 0.00 178.83 176.95 2kl4 h PHE 77 N -0.99 0.00 -0.03 3.99 -1.00 -1.55 -3.22 116.94 114.14 2kl4 h PHE 77 Ca -0.01 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.78 2kl4 h PHE 77 Cb 0.35 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 2kl4 h PHE 77 CO 0.08 0.00 0.08 0.00 -1.61 0.00 0.00 178.31 176.86 2kl4 h ALA 78 N 2.13 1.28 0.68 2.45 0.00 -1.54 -1.03 119.26 123.23 2kl4 h ALA 78 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kl4 h ALA 78 Cb 0.93 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2kl4 h ALA 78 CO 0.00 -0.09 -0.33 0.22 0.00 0.00 0.00 179.25 179.05 2kl4 h ASP 79 N 0.00 -0.77 -0.82 0.00 3.58 -1.73 -0.56 116.42 116.13 2kl4 h ASP 79 Ca 0.01 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.59 2kl4 h ASP 79 Cb 0.17 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.36 2kl4 h ASP 79 CO -0.00 -0.45 0.53 0.00 -2.88 0.00 0.00 179.24 176.45 2kl4 h ALA 80 N -1.37 1.74 -0.24 -0.78 0.00 -1.58 -1.38 119.26 115.65 2kl4 h ALA 80 Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kl4 h ALA 80 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kl4 h ALA 80 CO 0.15 0.09 -0.07 0.82 0.00 0.00 0.00 179.25 180.24 2kl4 h ILE 81 N 0.76 1.29 0.20 0.00 2.04 -1.24 -0.57 117.51 119.99 2kl4 h ILE 81 Ca 0.38 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2kl4 h ILE 81 Cb 0.45 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2kl4 h ILE 81 CO -0.15 0.34 -0.14 0.00 0.00 0.00 0.00 178.15 178.20 2kl4 h ALA 82 N 0.75 -0.32 0.00 1.87 0.00 -0.13 -2.23 119.26 119.21 2kl4 h ALA 82 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kl4 h ALA 82 Cb 0.55 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kl4 h ALA 82 CO 0.03 -0.69 -0.08 1.96 0.00 0.00 0.00 179.25 180.47 2kl4 h GLN 83 N -0.34 0.00 0.00 0.00 7.50 -1.32 -1.14 115.11 119.80 2kl4 h GLN 83 Ca -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2kl4 h GLN 83 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.82 2kl4 h GLN 83 CO 0.00 0.08 -0.07 0.00 -1.50 0.00 0.00 178.83 177.34 2kl4 h ALA 84 N 1.92 1.02 0.00 3.87 0.00 -0.52 -3.47 119.26 122.08 2kl4 h ALA 84 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kl4 h ALA 84 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kl4 h ALA 84 CO 0.01 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2kl4 n GLY 85 N 0.03 1.01 3.34 0.00 0.00 -0.43 -5.08 105.19 104.05 2kl4 n GLY 85 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.59 2.95 -1.11 1.61 2.02 -0.91 -5.02 117.35 115.30 2kl4 s TYR 86 Ca 0.00 -0.81 -0.22 0.00 -0.37 0.00 0.00 57.07 55.67 2kl4 s TYR 86 Cb 0.00 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2kl4 s TYR 86 CO 0.00 -0.44 1.74 -1.54 -1.57 0.00 0.00 175.55 173.74 2kl4 s SER 87 N 1.22 6.00 1.22 2.29 1.04 -1.26 -3.84 113.70 120.37 2kl4 s SER 87 Ca 0.03 -1.61 -0.15 0.00 0.48 0.00 0.00 55.95 54.69 2kl4 s SER 87 Cb -0.14 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.69 2kl4 s SER 87 CO -0.01 -2.01 0.83 0.00 0.98 0.00 0.00 173.24 173.03 2kl4 n ALA 88 N 10.98 -3.49 -3.12 5.32 0.00 -1.26 -4.61 120.51 124.33 2kl4 n ALA 88 Ca 0.41 -1.34 -0.06 0.00 0.00 0.00 0.00 53.44 52.45 2kl4 n ALA 88 Cb 0.48 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 -5.07 0.00 0.20 0.00 -2.24 -0.23 -4.93 114.28 102.02 2kl4 n THR 89 Ca 0.03 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.45 2kl4 n THR 89 Cb 0.56 -0.79 0.13 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.79 -1.98 -3.40 116.57 112.20 2kl4 h LYS 90 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2kl4 h LYS 90 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2kl4 h LYS 90 CO 0.10 0.00 -0.46 0.41 -1.08 0.00 0.00 179.45 178.43 2kl4 n GLY 91 N 1.13 0.51 3.40 3.86 0.00 -1.26 -4.86 105.19 107.98 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 -2.33 0.64 0.26 0.99 0.05 -1.26 -4.91 118.68 112.12 2kl4 s LEU 92 Ca 0.00 -0.72 0.07 0.00 0.05 0.00 0.00 54.13 53.54 2kl4 s LEU 92 Cb 0.00 1.55 -0.04 0.00 -2.05 0.00 0.00 46.19 45.65 2kl4 s LEU 92 CO 0.00 -0.95 0.18 0.72 -0.55 0.00 0.00 176.35 175.75 2kl4 s PHE 93 N -3.93 3.04 -0.12 3.48 -0.71 0.35 -1.07 117.98 119.02 2kl4 s PHE 93 Ca 0.14 -0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 55.74 2kl4 s PHE 93 Cb 0.02 -1.41 0.04 0.00 -1.21 0.00 0.00 43.02 40.46 2kl4 s PHE 93 CO -0.01 0.51 0.38 -0.98 -1.34 0.00 0.00 175.22 173.77 2kl4 s ARG 94 N -3.83 0.50 0.03 1.99 1.04 -1.26 -0.64 118.95 116.78 2kl4 s ARG 94 Ca 0.33 0.41 0.07 0.00 -1.04 0.00 0.00 55.73 55.51 2kl4 s ARG 94 Cb -0.07 0.24 -0.02 0.00 -2.04 0.00 0.00 34.95 33.05 2kl4 s ARG 94 CO 0.24 -0.08 -0.20 0.42 -0.04 0.00 0.00 175.30 175.64 2kl4 s ILE 95 N -0.08 1.63 0.62 4.99 1.09 -1.19 -4.48 121.20 123.78 2kl4 s ILE 95 Ca -0.02 -1.10 -0.17 0.00 -1.10 0.00 0.00 60.65 58.26 2kl4 s ILE 95 Cb -0.03 -1.40 -0.02 0.00 -1.06 0.00 0.00 42.46 39.95 2kl4 s ILE 95 CO 0.01 0.27 1.17 -2.16 -0.10 0.00 0.00 174.94 174.13 2kl4 s PRO 96 N -0.97 2.85 0.51 2.79 0.04 -1.26 -2.11 135.00 136.84 2kl4 s PRO 96 Ca 0.07 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.04 2kl4 s PRO 96 Cb -0.08 -1.93 1.35 0.00 0.04 0.00 0.00 34.50 33.88 2kl4 s PRO 96 CO 0.01 -1.27 2.06 -1.49 0.04 0.00 0.00 177.00 176.35 2kl4 h TRP 97 N 0.54 0.00 0.00 0.56 -0.00 -1.62 -3.30 115.95 112.13 2kl4 h TRP 97 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.40 2kl4 h TRP 97 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.44 2kl4 h TRP 97 CO 0.49 0.13 0.00 -1.71 -0.00 0.00 0.00 178.44 177.35 2kl4 n ASN 98 N -3.82 0.00 -4.80 -3.49 5.15 -1.26 -4.87 115.26 102.17 2kl4 n ASN 98 Ca -0.02 0.93 -0.32 0.00 -0.60 0.00 0.00 54.58 54.57 2kl4 n ASN 98 Cb 0.23 -0.50 0.04 0.00 -0.53 0.00 0.00 39.78 39.02 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 -2.14 5.44 0.81 1.20 1.01 -1.25 -5.03 116.67 116.71 2kl4 s ASP 99 Ca 0.00 1.74 -0.11 0.00 0.71 0.00 0.00 52.55 54.90 2kl4 s ASP 99 Cb 0.00 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.49 2kl4 s ASP 99 CO 0.00 -1.40 1.09 -2.16 0.21 0.00 0.00 175.17 172.91 2kl4 s PRO 100 N -4.58 1.92 0.07 8.23 0.04 -1.26 -4.76 135.00 134.66 2kl4 s PRO 100 Ca 0.61 1.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 2kl4 s PRO 100 Cb -0.16 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2kl4 s PRO 100 CO 0.47 -1.86 0.73 0.08 0.04 0.00 0.00 177.00 176.45 2kl4 s VAL 101 N -2.89 4.66 -0.63 -0.36 1.01 -1.26 -4.99 120.40 115.94 2kl4 s VAL 101 Ca 0.62 1.56 -0.27 0.00 0.00 0.00 0.00 61.98 63.89 2kl4 s VAL 101 Cb -0.18 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2kl4 s VAL 101 CO 0.56 0.43 1.48 -1.00 0.00 0.00 0.00 175.10 176.58 2kl4 s HIS 102 N -0.47 2.13 -0.47 5.22 3.76 -1.26 -4.85 115.29 119.36 2kl4 s HIS 102 Ca 0.36 0.38 0.26 0.00 -0.15 0.00 0.00 55.06 55.91 2kl4 s HIS 102 Cb -0.21 -4.39 0.94 0.00 1.11 0.00 0.00 32.58 30.03 2kl4 s HIS 102 CO 0.23 -2.10 1.76 1.88 -0.85 0.00 0.00 174.74 175.66 2kl4 h TYR 103 N 11.66 0.00 0.31 1.40 -1.99 -1.98 -3.33 116.97 123.03 2kl4 h TYR 103 Ca -0.27 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.44 2kl4 h TYR 103 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.83 2kl4 h TYR 103 CO 1.07 0.00 -0.15 1.49 -0.00 0.00 0.00 178.16 180.57 2kl4 h GLU 104 N 0.00 -0.40 -0.92 4.88 4.57 -2.00 -1.60 114.58 119.12 2kl4 h GLU 104 Ca 0.00 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 2kl4 h GLU 104 Cb 0.53 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 2kl4 h GLU 104 CO 0.00 -0.27 0.60 -0.07 -1.18 0.00 0.00 179.01 178.10 2kl4 h LEU 105 N -0.56 0.97 -0.83 1.64 3.38 -2.01 -0.93 115.31 116.97 2kl4 h LEU 105 Ca -0.04 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.13 2kl4 h LEU 105 Cb 0.32 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 40.71 2kl4 h LEU 105 CO 0.07 0.65 0.16 -0.07 0.09 0.00 0.00 178.44 179.34 2kl4 h LEU 106 N 1.12 -0.11 -0.06 1.67 3.38 -1.67 -0.57 115.31 119.07 2kl4 h LEU 106 Ca 0.38 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.50 2kl4 h LEU 106 Cb 0.08 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kl4 h LEU 106 CO -0.13 -0.15 -0.11 0.50 0.09 0.00 0.00 178.44 178.64 2kl4 h LYS 107 N 0.18 0.18 -0.10 1.13 3.64 -0.15 -3.29 116.57 118.15 2kl4 h LYS 107 Ca 0.50 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2kl4 h LYS 107 Cb 0.96 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2kl4 h LYS 107 CO -0.65 0.69 0.04 1.96 -2.27 0.00 0.00 179.45 179.22 2kl4 h GLN 108 N -0.32 0.09 0.00 1.90 4.20 -0.61 -0.24 115.11 120.14 2kl4 h GLN 108 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kl4 h GLN 108 Cb 0.68 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2kl4 h GLN 108 CO 0.02 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 2kl4 n MET 109 N -5.06 0.52 0.00 1.46 0.00 -0.32 -1.82 117.12 111.91 2kl4 n MET 109 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2kl4 n MET 109 Cb 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 31.95 2kl4 n MET 109 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2kl4 n ILE 110 N -0.81 0.00 -0.15 3.17 0.00 -0.69 -4.31 119.36 116.57 2kl4 n ILE 110 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 62.75 62.76 2kl4 n ILE 110 Cb 0.04 -1.33 0.02 0.00 0.00 0.00 0.00 39.64 38.36 2kl4 n ILE 110 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2kl4 h GLU 111 N 0.00 0.58 -0.21 9.51 5.08 -1.10 -1.14 114.58 127.30 2kl4 h GLU 111 Ca 0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2kl4 h GLU 111 Cb 0.98 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2kl4 h GLU 111 CO 0.00 0.39 -0.01 0.35 -1.00 0.00 0.00 179.01 178.74 2kl4 h PHE 112 N 0.60 -0.02 0.00 4.33 3.57 -1.57 -1.80 116.94 122.05 2kl4 h PHE 112 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2kl4 h PHE 112 Cb -0.04 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2kl4 h PHE 112 CO -0.05 -0.04 0.00 -0.97 -2.23 0.00 0.00 178.31 175.02 2kl4 h ASN 113 N 0.06 0.00 0.00 0.41 -0.00 -1.44 0.15 115.58 114.76 2kl4 h ASN 113 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.37 2kl4 h ASN 113 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.45 2kl4 h ASN 113 CO -0.17 0.00 -0.22 0.40 -0.00 0.00 0.00 177.43 177.43 2kl4 h ILE 114 N 0.00 0.71 0.00 2.57 2.04 -0.93 -3.36 117.51 118.55 2kl4 h ILE 114 Ca 0.00 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2kl4 h ILE 114 Cb 0.21 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2kl4 h ILE 114 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.39 2kl4 n GLN 115 N -4.66 0.11 0.20 2.37 10.64 -0.71 -0.74 117.38 124.60 2kl4 n GLN 115 Ca -0.08 0.32 0.10 0.00 -1.83 0.00 0.00 57.00 55.51 2kl4 n GLN 115 Cb 0.28 -1.70 0.20 0.00 -0.86 0.00 0.00 30.24 28.16 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 -0.66 2.61 3.58 -0.92 -3.24 116.42 117.80 2kl4 h ASP 116 Ca 0.00 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 2kl4 h ASP 116 Cb 0.34 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.20 2kl4 h ASP 116 CO 0.00 0.16 0.50 0.29 -2.88 0.00 0.00 179.24 177.31 2kl4 n LYS 117 N -3.16 1.96 0.00 0.28 4.76 0.08 -5.09 118.16 116.99 2kl4 n LYS 117 Ca 0.03 -2.06 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 2kl4 n LYS 117 Cb 0.56 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42