#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 3.81 0.00 1.61 0.01 -1.26 -5.04 113.70 112.83 2kl4 s SER 2 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2kl4 s SER 2 Cb 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2kl4 s SER 2 CO 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 173.24 171.39 2kl4 n HIS 3 N -3.34 0.00 -0.06 2.43 -0.00 -1.26 -4.76 115.22 108.23 2kl4 n HIS 3 Ca 0.14 0.00 0.24 0.00 -0.00 0.00 0.00 57.72 58.10 2kl4 n HIS 3 Cb 0.60 0.00 0.72 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 -0.33 -1.40 0.00 -1.99 -0.95 114.93 110.25 2kl4 h MET 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 59.70 59.79 2kl4 h MET 4 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.76 2kl4 h MET 4 CO 0.00 0.00 0.24 1.05 0.00 0.00 0.00 176.91 178.20 2kl4 h GLU 5 N 0.00 0.03 0.08 1.72 4.11 -2.01 -1.42 114.58 117.09 2kl4 h GLU 5 Ca 0.32 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.49 2kl4 h GLU 5 Cb 1.39 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2kl4 h GLU 5 CO -0.00 0.02 -1.22 0.28 0.07 0.00 0.00 179.01 178.15 2kl4 h VAL 6 N 0.03 1.50 0.00 -1.06 2.07 -1.52 -3.35 116.25 113.91 2kl4 h VAL 6 Ca 0.16 -3.13 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2kl4 h VAL 6 Cb 0.60 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2kl4 h VAL 6 CO -0.01 0.89 -0.73 -0.26 0.02 0.00 0.00 177.57 177.49 2kl4 h PHE 7 N 0.05 0.00 -0.42 1.57 0.04 -1.47 -3.40 116.94 113.31 2kl4 h PHE 7 Ca -0.11 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 2kl4 h PHE 7 Cb 1.92 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.04 2kl4 h PHE 7 CO 0.04 0.00 0.14 0.00 -0.60 0.00 0.00 178.31 177.89 2kl4 h ALA 8 N 2.39 1.45 0.00 2.45 0.00 -1.42 -1.04 119.26 123.09 2kl4 h ALA 8 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kl4 h ALA 8 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kl4 h ALA 8 CO 0.00 0.41 0.00 0.39 0.00 0.00 0.00 179.25 180.05 2kl4 n GLU 9 N -4.35 0.41 -0.08 0.00 1.02 -1.26 -2.15 120.64 114.23 2kl4 n GLU 9 Ca 0.03 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.96 2kl4 n GLU 9 Cb 0.17 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 2kl4 n GLU 9 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2kl4 n TYR 10 N -1.28 0.72 -0.30 -0.32 9.36 -0.45 -4.57 117.16 120.32 2kl4 n TYR 10 Ca 0.14 0.23 0.11 0.00 3.32 0.00 0.00 57.90 61.69 2kl4 n TYR 10 Cb 0.22 -1.08 0.28 0.00 -0.63 0.00 0.00 39.34 38.13 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 -0.52 0.39 -1.34 2.98 -0.00 -1.22 0.20 115.31 115.81 2kl4 h LEU 11 Ca -0.48 0.13 0.25 0.00 -0.00 0.00 0.00 57.88 57.78 2kl4 h LEU 11 Cb 1.68 0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 42.35 2kl4 h LEU 11 CO -0.15 0.07 0.65 0.07 -0.00 0.00 0.00 178.44 179.08 2kl4 h LYS 12 N 0.47 0.43 -0.04 1.13 2.10 -1.68 -2.75 116.57 116.23 2kl4 h LYS 12 Ca 0.53 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2kl4 h LYS 12 Cb 0.92 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2kl4 h LYS 12 CO -0.47 0.28 0.00 0.41 -2.00 0.00 0.00 179.45 177.67 2kl4 n GLY 13 N -1.46 0.38 3.56 0.07 0.00 0.67 -4.82 105.19 103.59 2kl4 n GLY 13 Ca 0.24 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.41 3.47 -2.00 -0.61 1.01 -1.03 -4.84 121.20 115.80 2kl4 s ILE 14 Ca 0.21 0.33 0.11 0.00 0.00 0.00 0.00 60.65 61.29 2kl4 s ILE 14 Cb 0.14 -4.09 0.30 0.00 0.01 0.00 0.00 42.46 38.82 2kl4 s ILE 14 CO 0.21 -1.00 1.06 0.47 0.00 0.00 0.00 174.94 175.68 2kl4 n ASP 15 N 11.63 0.00 -3.67 3.58 8.00 -1.26 -4.40 116.55 130.43 2kl4 n ASP 15 Ca 0.18 -0.56 -0.32 0.00 0.71 0.00 0.00 54.79 54.80 2kl4 n ASP 15 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kl4 n HIS 16 N -0.87 3.39 0.41 1.24 -0.00 -1.26 -4.94 115.22 113.19 2kl4 n HIS 16 Ca 0.08 -3.82 0.08 0.00 0.46 0.00 0.00 57.72 54.51 2kl4 n HIS 16 Cb 0.04 -0.79 0.34 0.00 -0.12 0.00 0.00 29.99 29.46 2kl4 n HIS 16 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kl4 n PRO 17 N 1.21 0.06 0.00 1.57 -0.04 -1.26 -1.47 135.00 135.06 2kl4 n PRO 17 Ca 0.27 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 64.20 2kl4 n PRO 17 Cb 0.38 -1.61 0.58 0.00 -0.04 0.00 0.00 33.50 32.81 2kl4 n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kl4 n ASP 18 N -1.72 0.12 0.00 3.54 8.00 -1.26 -4.32 116.55 120.92 2kl4 n ASP 18 Ca 0.03 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2kl4 n ASP 18 Cb 0.16 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.43 0.00 -0.23 1.24 8.25 -0.68 -4.86 115.22 117.52 2kl4 n HIS 19 Ca 0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.56 2kl4 n HIS 19 Cb 0.32 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.57 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 0.41 -0.15 -0.41 1.12 -1.45 -2.23 114.38 111.67 2kl4 h ARG 20 Ca 0.00 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.78 2kl4 h ARG 20 Cb 0.44 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2kl4 h ARG 20 CO 0.00 0.27 -0.20 -0.44 -3.11 0.00 0.00 179.97 176.48 2kl4 h ASP 21 N 0.42 0.26 -0.39 -3.80 3.32 -1.86 -2.43 116.42 111.93 2kl4 h ASP 21 Ca 0.35 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 2kl4 h ASP 21 Cb 0.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2kl4 h ASP 21 CO -0.35 0.48 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.30 2kl4 h ARG 22 N 0.24 0.86 -1.00 3.56 2.43 -1.76 -1.50 114.38 117.22 2kl4 h ARG 22 Ca 0.04 -0.41 0.11 0.00 -0.81 0.00 0.00 59.98 58.92 2kl4 h ARG 22 Cb 0.51 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.97 2kl4 h ARG 22 CO 0.03 1.05 0.63 1.15 -1.51 0.00 0.00 179.97 181.33 2kl4 h THR 23 N 0.67 0.95 -0.33 0.20 2.02 -1.30 -2.02 112.91 113.09 2kl4 h THR 23 Ca 0.08 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2kl4 h THR 23 Cb 0.83 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2kl4 h THR 23 CO 0.07 0.18 -0.19 -0.33 0.37 0.00 0.00 175.52 175.63 2kl4 h GLU 24 N 1.01 0.62 -0.15 6.66 4.39 -0.96 -1.65 114.58 124.50 2kl4 h GLU 24 Ca 0.48 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2kl4 h GLU 24 Cb 0.44 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kl4 h GLU 24 CO -0.24 0.77 0.07 0.93 -1.16 0.00 0.00 179.01 179.38 2kl4 h GLU 25 N 0.55 0.21 -0.49 2.33 5.08 -0.60 -1.20 114.58 120.47 2kl4 h GLU 25 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2kl4 h GLU 25 Cb 0.63 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2kl4 h GLU 25 CO 0.04 0.26 0.25 0.82 -1.00 0.00 0.00 179.01 179.39 2kl4 h ILE 26 N 0.11 1.18 0.02 3.13 2.04 -1.19 0.49 117.51 123.28 2kl4 h ILE 26 Ca 0.05 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2kl4 h ILE 26 Cb 0.12 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2kl4 h ILE 26 CO -0.01 0.19 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 2kl4 h LEU 27 N 0.64 -0.32 -1.52 1.44 3.38 -1.23 -3.02 115.31 114.68 2kl4 h LEU 27 Ca 0.17 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2kl4 h LEU 27 Cb 0.08 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kl4 h LEU 27 CO -0.03 -0.11 -0.25 0.77 0.09 0.00 0.00 178.44 178.92 2kl4 h SER 28 N -0.15 0.00 -0.45 -0.43 4.64 -1.08 -2.40 113.55 113.69 2kl4 h SER 28 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2kl4 h SER 28 Cb 0.15 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 2kl4 h SER 28 CO -0.06 0.25 0.18 -0.25 -0.87 0.00 0.00 176.83 176.08 2kl4 h TRP 29 N 0.00 0.33 -0.25 4.77 7.01 -0.88 -3.01 115.95 123.92 2kl4 h TRP 29 Ca -0.00 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.86 2kl4 h TRP 29 Cb 0.50 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 2kl4 h TRP 29 CO 0.00 0.14 -0.48 -0.39 -2.79 0.00 0.00 178.44 174.92 2kl4 h VAL 30 N 0.37 1.30 0.00 2.65 -1.51 -1.30 0.32 116.25 118.08 2kl4 h VAL 30 Ca 0.20 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2kl4 h VAL 30 Cb 0.17 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2kl4 h VAL 30 CO -0.19 0.54 0.11 0.00 -1.23 0.00 0.00 177.57 176.80 2kl4 n ALA 31 N -2.53 0.79 -0.04 5.19 0.00 -1.15 0.47 120.51 123.25 2kl4 n ALA 31 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2kl4 n ALA 31 Cb 0.57 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.29 0.30 0.07 0.00 0.00 0.01 -4.62 120.51 114.98 2kl4 n ALA 32 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 2kl4 n ALA 32 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.48 1.43 -2.23 0.00 2.02 -0.25 -3.32 112.91 110.08 2kl4 h THR 33 Ca 0.00 -2.51 -0.60 0.00 0.77 0.00 0.00 66.41 64.07 2kl4 h THR 33 Cb 0.34 2.44 -0.42 0.00 -1.74 0.00 0.00 68.15 68.77 2kl4 h THR 33 CO 0.00 0.74 -0.59 0.49 0.37 0.00 0.00 175.52 176.54 2kl4 n PHE 34 N -3.71 3.79 0.86 3.16 3.72 0.18 -4.94 117.46 120.51 2kl4 n PHE 34 Ca -0.06 -4.08 0.10 0.00 -0.05 0.00 0.00 57.45 53.36 2kl4 n PHE 34 Cb 0.82 -0.55 0.47 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.20 0.04 -1.08 -0.04 -1.21 -1.91 135.00 131.47 2kl4 n PRO 35 Ca 0.30 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 2kl4 n PRO 35 Cb 0.40 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.85 2kl4 n PRO 35 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kl4 n ASN 36 N -1.35 0.34 -4.77 3.54 5.15 -1.26 -4.75 115.26 112.16 2kl4 n ASN 36 Ca 0.08 0.41 -0.38 0.00 -0.60 0.00 0.00 54.58 54.09 2kl4 n ASN 36 Cb 0.18 -0.46 -0.04 0.00 -0.53 0.00 0.00 39.78 38.93 2kl4 n ASN 36 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kl4 s LEU 37 N -3.54 4.32 0.17 1.20 1.43 -0.80 -3.54 118.68 117.92 2kl4 s LEU 37 Ca 0.12 2.13 0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2kl4 s LEU 37 Cb 0.16 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2kl4 s LEU 37 CO 0.58 -0.34 -0.24 -1.61 0.23 0.00 0.00 176.35 174.97 2kl4 s GLU 38 N -2.04 1.52 0.62 1.70 0.41 0.40 -4.89 118.70 116.41 2kl4 s GLU 38 Ca 0.52 -1.43 -0.14 0.00 -0.41 0.00 0.00 54.97 53.51 2kl4 s GLU 38 Cb -0.26 -1.89 -0.03 0.00 -1.78 0.00 0.00 34.13 30.17 2kl4 s GLU 38 CO 0.33 0.42 1.05 -1.25 -0.49 0.00 0.00 175.26 175.32 2kl4 s PRO 39 N -2.44 3.30 -0.30 0.39 0.04 -1.26 -0.55 135.00 134.18 2kl4 s PRO 39 Ca 0.18 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 2kl4 s PRO 39 Cb -0.09 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.60 2kl4 s PRO 39 CO 0.09 -0.82 0.98 -1.14 0.04 0.00 0.00 177.00 176.16 2kl4 s GLN 40 N -4.47 0.23 0.12 4.56 0.74 -0.87 -4.77 119.66 115.20 2kl4 s GLN 40 Ca 0.60 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 2kl4 s GLN 40 Cb -0.14 0.18 -0.06 0.00 1.10 0.00 0.00 33.01 34.09 2kl4 s GLN 40 CO 0.43 -0.31 1.03 0.00 -0.55 0.00 0.00 175.29 175.89 2kl4 s MET 41 N 2.94 4.63 0.02 1.67 0.23 -1.26 -3.36 119.30 124.16 2kl4 s MET 41 Ca 0.09 1.56 -0.10 0.00 -1.03 0.00 0.00 55.69 56.21 2kl4 s MET 41 Cb -0.08 -3.35 0.01 0.00 -1.53 0.00 0.00 34.83 29.87 2kl4 s MET 41 CO -0.16 0.10 0.21 0.21 -2.03 0.00 0.00 175.02 173.35 2kl4 s LYS 42 N 0.09 0.64 -1.27 3.16 2.47 0.20 -4.89 119.74 120.13 2kl4 s LYS 42 Ca 0.49 -0.46 -0.06 0.00 -1.56 0.00 0.00 55.97 54.38 2kl4 s LYS 42 Cb -0.26 0.27 0.04 0.00 -1.46 0.00 0.00 37.83 36.43 2kl4 s LYS 42 CO 0.31 -0.18 0.39 0.91 0.16 0.00 0.00 175.35 176.94 2kl4 n TRP 43 N 1.02 -1.73 -1.62 4.03 7.02 -1.26 -0.28 117.44 124.62 2kl4 n TRP 43 Ca -0.21 0.36 -0.19 0.00 -1.02 0.00 0.00 57.50 56.45 2kl4 n TRP 43 Cb 0.57 -3.18 -0.07 0.00 -2.42 0.00 0.00 31.31 26.21 2kl4 n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2kl4 n ASN 44 N -2.21 -4.95 -4.47 -0.99 2.85 -1.26 -4.99 115.26 99.25 2kl4 n ASN 44 Ca -0.07 0.42 -0.30 0.00 -0.11 0.00 0.00 54.58 54.53 2kl4 n ASN 44 Cb 0.57 -4.40 -0.12 0.00 1.24 0.00 0.00 39.78 37.08 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 -2.61 2.77 0.39 -0.44 -4.23 0.61 -5.07 115.64 107.07 2kl4 s THR 45 Ca 0.00 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 58.83 2kl4 s THR 45 Cb 0.00 -2.23 -0.09 0.00 1.34 0.00 0.00 72.50 71.52 2kl4 s THR 45 CO 0.00 0.18 1.13 -2.16 -0.54 0.00 0.00 174.62 173.23 2kl4 s PRO 46 N -1.91 4.11 0.35 3.99 0.04 -1.26 -0.63 135.00 139.70 2kl4 s PRO 46 Ca 0.17 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 2kl4 s PRO 46 Cb -0.10 -2.66 0.05 0.00 0.04 0.00 0.00 34.50 31.83 2kl4 s PRO 46 CO 0.08 -0.24 0.81 0.00 0.04 0.00 0.00 177.00 177.69 2kl4 s MET 47 N -2.31 2.08 0.38 4.56 0.23 -1.21 -3.36 119.30 119.66 2kl4 s MET 47 Ca 0.57 -1.32 0.04 0.00 -1.03 0.00 0.00 55.69 53.95 2kl4 s MET 47 Cb -0.28 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 2kl4 s MET 47 CO 0.35 -0.97 0.12 -0.06 -2.03 0.00 0.00 175.02 172.43 2kl4 s PHE 48 N -2.50 1.79 -0.10 3.16 0.40 -1.26 -2.04 117.98 117.42 2kl4 s PHE 48 Ca 0.15 -1.24 -0.07 0.00 -0.60 0.00 0.00 56.93 55.18 2kl4 s PHE 48 Cb -0.05 -1.14 0.04 0.00 0.51 0.00 0.00 43.02 42.38 2kl4 s PHE 48 CO 0.10 -0.27 0.26 -1.54 0.70 0.00 0.00 175.22 174.46 2kl4 s SER 49 N -3.56 -0.27 -0.39 1.36 1.04 0.29 -4.38 113.70 107.79 2kl4 s SER 49 Ca 0.27 0.53 -0.29 0.00 0.48 0.00 0.00 55.95 56.95 2kl4 s SER 49 Cb 0.04 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2kl4 s SER 49 CO 0.15 -0.13 1.35 0.21 0.98 0.00 0.00 173.24 175.80 2kl4 s ASN 50 N 0.76 6.46 -1.55 7.02 2.47 -1.26 -0.45 114.94 128.38 2kl4 s ASN 50 Ca -0.05 0.88 -0.11 0.00 0.42 0.00 0.00 52.86 54.00 2kl4 s ASN 50 Cb -0.06 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.28 2kl4 s ASN 50 CO -0.05 -1.32 0.72 0.00 -3.72 0.00 0.00 177.10 172.72 2kl4 n GLN 51 N 7.86 -3.87 -0.06 0.43 6.02 -1.23 -2.38 117.38 124.14 2kl4 n GLN 51 Ca 0.15 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2kl4 n GLN 51 Cb 0.48 -5.02 0.00 0.00 1.02 0.00 0.00 30.24 26.72 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 -1.66 1.01 0.00 1.08 0.00 -1.26 -5.05 105.19 99.31 2kl4 n GLY 52 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2kl4 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kl4 n THR 53 N -2.00 0.00 -1.99 2.61 5.66 -1.00 -4.95 114.28 112.61 2kl4 n THR 53 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 2kl4 n THR 53 Cb 0.00 -0.17 0.12 0.00 -1.55 0.00 0.00 70.33 68.73 2kl4 n THR 53 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2kl4 n PHE 54 N -1.58 0.00 0.01 1.09 7.35 -1.26 -4.65 117.46 118.41 2kl4 n PHE 54 Ca 0.00 -1.02 0.00 0.00 -0.76 0.00 0.00 57.45 55.67 2kl4 n PHE 54 Cb 0.00 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 39.63 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 -0.40 0.00 -3.47 -2.13 5.41 -1.26 -4.70 119.36 112.80 2kl4 n ILE 55 Ca 0.13 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.75 2kl4 n ILE 55 Cb 0.89 -0.54 -0.03 0.00 -0.71 0.00 0.00 39.64 39.25 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 0.01 0.00 1.39 2.07 -0.97 -4.25 121.20 117.45 2kl4 s ILE 56 Ca 0.00 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 2kl4 s ILE 56 Cb 0.00 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.58 2kl4 s ILE 56 CO 0.00 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2kl4 n GLY 57 N -0.09 1.85 3.82 1.50 0.00 -1.03 -4.29 105.19 106.94 2kl4 n GLY 57 Ca -0.17 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 2kl4 n GLY 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kl4 s PHE 58 N -2.00 0.07 -0.22 1.61 -0.12 -1.21 -2.84 117.98 113.28 2kl4 s PHE 58 Ca 0.00 -0.72 -0.29 0.00 -0.05 0.00 0.00 56.93 55.87 2kl4 s PHE 58 Cb 0.00 0.82 0.15 0.00 -0.63 0.00 0.00 43.02 43.36 2kl4 s PHE 58 CO 0.00 -1.52 1.14 -1.54 -0.05 0.00 0.00 175.22 173.25 2kl4 s SER 59 N -3.05 -0.25 0.15 1.98 1.04 -0.99 -4.07 113.70 108.50 2kl4 s SER 59 Ca 0.15 0.31 -0.31 0.00 0.48 0.00 0.00 55.95 56.57 2kl4 s SER 59 Cb -0.05 0.25 -0.10 0.00 0.10 0.00 0.00 66.02 66.22 2kl4 s SER 59 CO 0.11 -0.21 1.60 0.42 0.98 0.00 0.00 173.24 176.13 2kl4 s THR 60 N -0.92 2.64 0.53 2.02 -4.23 -1.26 -2.75 115.64 111.67 2kl4 s THR 60 Ca 0.02 0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2kl4 s THR 60 Cb -0.01 -3.26 0.09 0.00 1.34 0.00 0.00 72.50 70.66 2kl4 s THR 60 CO -0.03 0.03 0.73 -0.24 -0.54 0.00 0.00 174.62 174.57 2kl4 n SER 61 N 4.27 1.55 0.12 3.99 2.88 0.08 -4.97 113.62 121.55 2kl4 n SER 61 Ca 0.14 -2.18 -0.08 0.00 -1.33 0.00 0.00 58.87 55.43 2kl4 n SER 61 Cb 0.39 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.38 2kl4 n SER 61 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kl4 h LYS 62 N 0.00 -0.43 -0.17 -1.46 1.57 -2.02 -3.33 116.57 110.73 2kl4 h LYS 62 Ca -0.24 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2kl4 h LYS 62 Cb 1.04 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2kl4 h LYS 62 CO 0.32 -0.29 0.00 0.72 -0.57 0.00 0.00 179.45 179.63 2kl4 n HIS 63 N -3.76 0.20 -3.53 -1.35 8.25 -1.26 -4.96 115.22 108.81 2kl4 n HIS 63 Ca -0.05 -0.11 -0.18 0.00 -0.26 0.00 0.00 57.72 57.12 2kl4 n HIS 63 Cb 0.21 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.64 -0.65 0.12 4.41 -3.43 -1.25 -1.90 115.29 110.95 2kl4 s HIS 64 Ca 0.30 1.13 -0.16 0.00 -0.80 0.00 0.00 55.06 55.52 2kl4 s HIS 64 Cb 0.19 0.41 -0.07 0.00 -1.43 0.00 0.00 32.58 31.68 2kl4 s HIS 64 CO 0.28 -0.59 0.56 -1.17 -2.00 0.00 0.00 174.74 171.82 2kl4 s LEU 65 N -1.15 4.40 0.00 5.38 1.98 -1.00 -0.74 118.68 127.56 2kl4 s LEU 65 Ca -0.10 1.16 0.07 0.00 -2.89 0.00 0.00 54.13 52.37 2kl4 s LEU 65 Cb -0.00 -3.15 -0.02 0.00 0.66 0.00 0.00 46.19 43.68 2kl4 s LEU 65 CO 0.09 0.16 -0.23 -0.94 -1.89 0.00 0.00 176.35 173.54 2kl4 s SER 66 N -1.50 2.70 0.07 3.68 1.04 -1.11 -1.44 113.70 117.14 2kl4 s SER 66 Ca 0.35 -0.45 -0.26 0.00 0.48 0.00 0.00 55.95 56.07 2kl4 s SER 66 Cb -0.17 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.74 2kl4 s SER 66 CO 0.19 0.26 0.62 0.54 0.98 0.00 0.00 173.24 175.82 2kl4 s VAL 67 N -0.61 0.00 0.16 5.02 0.11 0.17 -2.34 120.40 122.91 2kl4 s VAL 67 Ca 0.09 -0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.86 2kl4 s VAL 67 Cb -0.09 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 2kl4 s VAL 67 CO -0.00 -0.02 0.78 -0.55 -3.33 0.00 0.00 175.10 171.98 2kl4 s SER 68 N -2.10 -0.34 -0.11 3.54 0.15 -1.13 -0.32 113.70 113.39 2kl4 s SER 68 Ca -0.04 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.23 2kl4 s SER 68 Cb -0.01 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 64.79 2kl4 s SER 68 CO -0.03 -1.00 0.23 1.55 1.20 0.00 0.00 173.24 175.18 2kl4 h PRO 69 N 2.00 0.00 0.00 5.44 0.13 -1.86 -2.74 132.00 134.97 2kl4 h PRO 69 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kl4 h PRO 69 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kl4 h PRO 69 CO 0.29 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 178.76 2kl4 n GLU 70 N -4.72 0.00 0.00 0.86 1.02 -1.26 -2.30 120.64 114.24 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 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2kl4 n GLU 70 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kl4 n GLU 71 N -0.38 0.08 -0.15 3.49 0.28 -1.26 -4.81 120.64 117.89 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 -0.54 0.39 0.00 1.43 0.00 0.00 31.44 32.72 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 -0.06 3.84 2.10 -1.97 0.23 117.51 122.63 2kl4 h ILE 72 Ca 0.00 -0.23 0.02 0.00 1.08 0.00 0.00 64.86 65.73 2kl4 h ILE 72 Cb 0.09 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 36.09 2kl4 h ILE 72 CO 0.00 0.12 0.39 1.23 -1.08 0.00 0.00 178.15 178.81 2kl4 h GLY 73 N 0.66 0.00 0.00 8.18 0.00 -1.90 -0.55 103.07 109.45 2kl4 h GLY 73 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2kl4 h GLY 73 CO -0.10 0.00 -0.56 1.39 0.00 0.00 0.00 176.54 177.27 2kl4 n ILE 74 N -2.99 0.00 0.00 2.60 2.08 0.70 -3.01 119.36 118.73 2kl4 n ILE 74 Ca -0.00 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.04 2kl4 n ILE 74 Cb 0.45 0.74 0.00 0.00 -0.75 0.00 0.00 39.64 40.08 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 -1.29 0.00 -0.07 4.38 7.64 -0.49 -4.47 113.62 119.32 2kl4 n SER 75 Ca 0.00 0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 2kl4 n SER 75 Cb 0.04 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 2kl4 n SER 75 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2kl4 h GLN 76 N 0.00 0.06 0.00 1.43 -0.00 -1.43 -3.30 115.11 111.88 2kl4 h GLN 76 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2kl4 h GLN 76 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2kl4 h GLN 76 CO 0.00 1.05 0.00 0.74 -0.00 0.00 0.00 178.83 180.62 2kl4 h PHE 77 N -0.79 0.00 -0.59 0.06 -1.00 -1.71 -2.50 116.94 110.41 2kl4 h PHE 77 Ca -0.30 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.62 2kl4 h PHE 77 Cb 1.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.93 2kl4 h PHE 77 CO 0.13 0.00 0.41 0.00 -1.61 0.00 0.00 178.31 177.23 2kl4 h ALA 78 N 2.02 2.29 0.15 2.45 0.00 -1.61 -1.93 119.26 122.62 2kl4 h ALA 78 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kl4 h ALA 78 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kl4 h ALA 78 CO 0.00 -0.45 -0.07 0.22 0.00 0.00 0.00 179.25 178.95 2kl4 h ASP 79 N 0.19 -0.17 -0.71 0.00 3.58 -1.66 0.77 116.42 118.42 2kl4 h ASP 79 Ca 0.28 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.49 2kl4 h ASP 79 Cb 0.85 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.89 2kl4 h ASP 79 CO -0.05 0.22 0.42 0.00 -2.88 0.00 0.00 179.24 176.95 2kl4 h ALA 80 N 0.15 0.96 -0.64 -0.78 0.00 -1.69 -1.30 119.26 115.96 2kl4 h ALA 80 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kl4 h ALA 80 Cb 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2kl4 h ALA 80 CO 0.03 0.13 0.41 0.82 0.00 0.00 0.00 179.25 180.64 2kl4 h ILE 81 N 0.78 1.12 -0.16 0.00 2.04 -1.27 -3.18 117.51 116.84 2kl4 h ILE 81 Ca 0.31 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2kl4 h ILE 81 Cb 0.15 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2kl4 h ILE 81 CO -0.17 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.21 2kl4 h ALA 82 N 1.26 0.20 -0.28 1.87 0.00 0.30 -2.56 119.26 120.05 2kl4 h ALA 82 Ca 0.25 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2kl4 h ALA 82 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kl4 h ALA 82 CO -0.08 -0.23 0.24 1.96 0.00 0.00 0.00 179.25 181.14 2kl4 h GLN 83 N 0.13 0.00 -0.22 0.00 7.50 -1.39 -1.06 115.11 120.06 2kl4 h GLN 83 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2kl4 h GLN 83 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2kl4 h GLN 83 CO -0.01 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.32 2kl4 n ALA 84 N -2.47 2.48 -2.36 3.87 0.00 -0.97 -4.91 120.51 116.16 2kl4 n ALA 84 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 2kl4 n ALA 84 Cb 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.94 0.75 3.32 0.00 0.00 -0.40 -5.07 105.19 104.73 2kl4 n GLY 85 Ca 0.10 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.69 1.78 -0.17 1.61 2.02 -1.19 -4.94 117.35 113.76 2kl4 s TYR 86 Ca 0.01 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2kl4 s TYR 86 Cb -0.00 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2kl4 s TYR 86 CO 0.01 0.30 -0.11 0.45 -1.57 0.00 0.00 175.55 174.62 2kl4 s SER 87 N -2.55 3.94 0.56 2.29 0.15 -1.20 -4.09 113.70 112.81 2kl4 s SER 87 Ca 0.14 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 2kl4 s SER 87 Cb -0.06 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 2kl4 s SER 87 CO 0.06 0.06 0.93 0.00 1.20 0.00 0.00 173.24 175.50 2kl4 s ALA 88 N 0.95 3.21 0.00 5.45 0.00 -1.26 -1.70 121.76 128.41 2kl4 s ALA 88 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2kl4 s ALA 88 Cb -0.15 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2kl4 s ALA 88 CO -0.01 -0.54 0.00 0.25 0.00 0.00 0.00 175.76 175.46 2kl4 n THR 89 N -2.51 0.00 0.15 0.00 -2.24 -0.14 -4.93 114.28 104.61 2kl4 n THR 89 Ca 0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2kl4 n THR 89 Cb 0.54 -0.07 0.41 0.00 -2.10 0.00 0.00 70.33 69.12 2kl4 n THR 89 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2kl4 h LYS 90 N 0.00 0.15 0.00 -0.78 -0.00 -1.99 -3.42 116.57 110.53 2kl4 h LYS 90 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 2kl4 h LYS 90 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.21 2kl4 h LYS 90 CO 0.00 0.33 0.00 0.41 -0.00 0.00 0.00 179.45 180.19 2kl4 n GLY 91 N -0.85 1.00 3.23 0.07 0.00 -1.26 -4.93 105.19 102.45 2kl4 n GLY 91 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 1.41 0.22 0.99 0.05 -1.26 -4.64 118.68 115.44 2kl4 s LEU 92 Ca 0.00 -0.78 0.10 0.00 0.05 0.00 0.00 54.13 53.50 2kl4 s LEU 92 Cb 0.00 0.96 -0.05 0.00 -2.05 0.00 0.00 46.19 45.05 2kl4 s LEU 92 CO 0.00 -0.76 -0.20 0.72 -0.55 0.00 0.00 176.35 175.56 2kl4 s PHE 93 N -3.91 2.10 0.01 3.48 -0.71 0.57 -0.97 117.98 118.55 2kl4 s PHE 93 Ca 0.10 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.62 2kl4 s PHE 93 Cb 0.05 -0.98 -0.01 0.00 -1.21 0.00 0.00 43.02 40.86 2kl4 s PHE 93 CO -0.07 0.51 -0.11 -0.98 -1.34 0.00 0.00 175.22 173.24 2kl4 s ARG 94 N -3.13 0.82 -0.05 1.99 3.03 -0.69 -0.65 118.95 120.26 2kl4 s ARG 94 Ca 0.23 -0.50 -0.02 0.00 2.03 0.00 0.00 55.73 57.48 2kl4 s ARG 94 Cb -0.05 -0.78 -0.04 0.00 -1.03 0.00 0.00 34.95 33.05 2kl4 s ARG 94 CO 0.10 0.21 0.04 0.42 -1.13 0.00 0.00 175.30 174.94 2kl4 s ILE 95 N -0.50 4.54 0.53 4.99 1.09 -0.52 -3.21 121.20 128.12 2kl4 s ILE 95 Ca 0.02 -0.29 -0.19 0.00 -1.10 0.00 0.00 60.65 59.09 2kl4 s ILE 95 Cb -0.05 -2.98 -0.07 0.00 -1.06 0.00 0.00 42.46 38.30 2kl4 s ILE 95 CO 0.00 0.50 1.06 -2.16 -0.10 0.00 0.00 174.94 174.24 2kl4 s PRO 96 N -1.24 3.59 0.56 2.79 0.04 -1.26 -2.37 135.00 137.10 2kl4 s PRO 96 Ca 0.17 1.35 0.37 0.00 0.04 0.00 0.00 61.00 62.92 2kl4 s PRO 96 Cb -0.12 -2.06 1.80 0.00 0.04 0.00 0.00 34.50 34.16 2kl4 s PRO 96 CO 0.07 -0.61 2.11 -1.49 0.04 0.00 0.00 177.00 177.12 2kl4 h TRP 97 N 1.16 0.00 -0.11 0.56 -0.00 -1.76 -3.01 115.95 112.80 2kl4 h TRP 97 Ca -0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.36 2kl4 h TRP 97 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.38 2kl4 h TRP 97 CO 0.57 0.00 -0.14 -2.95 -0.00 0.00 0.00 178.44 175.92 2kl4 h ASN 98 N 0.00 0.17 -2.21 -3.49 -1.07 -1.92 -3.46 115.58 103.59 2kl4 h ASN 98 Ca 0.00 -0.03 -0.60 0.00 0.07 0.00 0.00 56.30 55.74 2kl4 h ASN 98 Cb 0.22 -0.04 -0.14 0.00 -2.07 0.00 0.00 38.32 36.29 2kl4 h ASN 98 CO 0.00 0.33 -0.73 -0.62 0.07 0.00 0.00 177.43 176.48 2kl4 s ASP 99 N -6.91 3.54 0.77 6.14 2.15 -1.14 -5.13 116.67 116.09 2kl4 s ASP 99 Ca -0.05 -1.09 -0.11 0.00 0.43 0.00 0.00 52.55 51.73 2kl4 s ASP 99 Cb 0.15 -0.30 0.05 0.00 -0.30 0.00 0.00 42.92 42.53 2kl4 s ASP 99 CO 0.72 -0.07 1.08 -2.16 -0.17 0.00 0.00 175.17 174.57 2kl4 s PRO 100 N -3.56 2.33 -0.08 4.34 0.04 -1.26 -4.79 135.00 132.02 2kl4 s PRO 100 Ca 0.30 0.94 -0.21 0.00 0.04 0.00 0.00 61.00 62.08 2kl4 s PRO 100 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2kl4 s PRO 100 CO 0.15 -1.53 0.59 0.08 0.04 0.00 0.00 177.00 176.33 2kl4 s VAL 101 N -3.01 5.09 -1.02 -0.36 1.01 -1.26 -4.96 120.40 115.90 2kl4 s VAL 101 Ca 0.60 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 63.55 2kl4 s VAL 101 Cb -0.16 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2kl4 s VAL 101 CO 0.55 0.31 1.56 -1.00 0.00 0.00 0.00 175.10 176.52 2kl4 s HIS 102 N 0.58 2.41 0.34 5.22 3.76 -1.26 -4.85 115.29 121.49 2kl4 s HIS 102 Ca 0.31 -0.62 0.09 0.00 -0.15 0.00 0.00 55.06 54.70 2kl4 s HIS 102 Cb -0.17 -4.58 0.62 0.00 1.11 0.00 0.00 32.58 29.56 2kl4 s HIS 102 CO 0.14 -1.89 1.79 1.88 -0.85 0.00 0.00 174.74 175.82 2kl4 h TYR 103 N 9.91 0.20 0.10 1.40 -1.99 -1.98 -2.32 116.97 122.29 2kl4 h TYR 103 Ca 0.20 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 2kl4 h TYR 103 Cb 1.00 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.68 2kl4 h TYR 103 CO 1.28 0.48 -0.07 1.49 -0.00 0.00 0.00 178.16 181.35 2kl4 h GLU 104 N 0.16 -0.16 -0.43 4.88 4.81 -1.99 0.63 114.58 122.49 2kl4 h GLU 104 Ca 0.02 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2kl4 h GLU 104 Cb 0.65 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2kl4 h GLU 104 CO 0.05 -0.10 -0.20 -0.07 -0.73 0.00 0.00 179.01 177.96 2kl4 h LEU 105 N -0.16 0.91 -0.47 1.64 3.38 -1.96 -0.42 115.31 118.23 2kl4 h LEU 105 Ca -0.01 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.66 2kl4 h LEU 105 Cb 0.14 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.55 2kl4 h LEU 105 CO 0.00 1.11 -0.13 -0.07 0.09 0.00 0.00 178.44 179.45 2kl4 h LEU 106 N 0.71 -0.47 0.45 1.67 3.38 -1.32 -0.39 115.31 119.34 2kl4 h LEU 106 Ca 0.10 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2kl4 h LEU 106 Cb 0.76 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2kl4 h LEU 106 CO 0.06 -0.17 -0.28 0.50 0.09 0.00 0.00 178.44 178.64 2kl4 h LYS 107 N -0.01 -0.67 -0.62 1.13 3.64 -0.53 -2.45 116.57 117.06 2kl4 h LYS 107 Ca 0.23 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2kl4 h LYS 107 Cb 0.36 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2kl4 h LYS 107 CO -0.49 -0.45 0.41 1.96 -2.27 0.00 0.00 179.45 178.60 2kl4 h GLN 108 N -0.70 0.73 -0.00 1.90 4.20 -0.41 -0.55 115.11 120.28 2kl4 h GLN 108 Ca -0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2kl4 h GLN 108 Cb 0.57 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2kl4 h GLN 108 CO 0.05 0.48 -0.27 0.00 -0.67 0.00 0.00 178.83 178.43 2kl4 n MET 109 N -4.46 0.48 -0.11 1.46 0.00 -0.22 -3.05 117.12 111.23 2kl4 n MET 109 Ca 0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 57.70 57.34 2kl4 n MET 109 Cb 0.11 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.76 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 -1.05 1.51 -0.13 3.17 0.00 -0.67 -4.20 119.36 117.98 2kl4 n ILE 110 Ca 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 62.75 62.73 2kl4 n ILE 110 Cb 0.32 -2.11 0.04 0.00 0.00 0.00 0.00 39.64 37.89 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 -1.00 0.12 -0.63 9.51 4.39 -1.29 -0.34 114.58 125.34 2kl4 h GLU 111 Ca -0.35 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.46 2kl4 h GLU 111 Cb 1.24 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 2kl4 h GLU 111 CO -0.21 0.08 0.21 0.35 -1.16 0.00 0.00 179.01 178.28 2kl4 h PHE 112 N 0.13 0.35 -0.17 4.33 3.57 -1.74 -2.08 116.94 121.33 2kl4 h PHE 112 Ca 0.22 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 2kl4 h PHE 112 Cb 0.31 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2kl4 h PHE 112 CO -0.27 0.05 -0.48 -0.97 -2.23 0.00 0.00 178.31 174.41 2kl4 h ASN 113 N 0.37 0.47 0.15 0.41 -0.73 -1.24 0.22 115.58 115.23 2kl4 h ASN 113 Ca 0.33 -0.23 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 2kl4 h ASN 113 Cb 0.45 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 2kl4 h ASN 113 CO -0.35 0.87 -0.11 0.40 -0.37 0.00 0.00 177.43 177.87 2kl4 h ILE 114 N 0.35 0.76 0.00 2.57 2.04 -1.00 -1.09 117.51 121.14 2kl4 h ILE 114 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2kl4 h ILE 114 Cb 0.97 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2kl4 h ILE 114 CO 0.08 0.00 0.00 0.06 0.00 0.00 0.00 178.15 178.29 2kl4 h GLN 115 N -0.27 0.00 0.19 2.37 3.07 -0.96 -2.78 115.11 116.74 2kl4 h GLN 115 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.41 2kl4 h GLN 115 Cb 0.23 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.81 2kl4 h GLN 115 CO 0.00 0.00 -1.46 0.22 0.09 0.00 0.00 178.83 177.68 2kl4 h ASP 116 N 0.00 0.63 -0.38 0.06 3.58 -0.64 -3.34 116.42 116.34 2kl4 h ASP 116 Ca 0.00 -0.73 -0.09 0.00 0.42 0.00 0.00 57.03 56.63 2kl4 h ASP 116 Cb 0.46 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 2kl4 h ASP 116 CO 0.00 1.58 0.11 0.29 -2.88 0.00 0.00 179.24 178.35 2kl4 n LYS 117 N -3.61 2.61 0.00 0.28 4.76 -0.44 -5.08 118.16 116.68 2kl4 n LYS 117 Ca -0.15 -1.65 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 2kl4 n LYS 117 Cb 1.07 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42