#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 -0.40 0.00 1.61 0.01 -1.26 -5.01 113.70 108.65 2kl4 s SER 2 Ca 0.00 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.32 2kl4 s SER 2 Cb 0.00 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2kl4 s SER 2 CO 0.00 -4.99 0.00 0.00 0.41 0.00 0.00 173.24 168.66 2kl4 n HIS 3 N -5.40 0.00 0.46 2.43 -0.00 -1.26 -4.90 115.22 106.55 2kl4 n HIS 3 Ca 0.09 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.86 2kl4 n HIS 3 Cb 0.58 0.00 0.25 0.00 -0.00 0.00 0.00 29.99 30.82 2kl4 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2kl4 n MET 4 N -0.61 0.12 0.32 -1.40 0.00 -1.26 -1.78 117.12 112.51 2kl4 n MET 4 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 57.70 57.75 2kl4 n MET 4 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.64 2kl4 n MET 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2kl4 h GLU 5 N 0.00 -0.78 -0.73 0.03 4.39 -2.01 -3.17 114.58 112.30 2kl4 h GLU 5 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2kl4 h GLU 5 Cb 0.11 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2kl4 h GLU 5 CO 0.00 -0.47 0.46 0.28 -1.16 0.00 0.00 179.01 178.12 2kl4 h VAL 6 N -1.02 1.20 -0.02 3.13 2.07 -1.75 -2.68 116.25 117.17 2kl4 h VAL 6 Ca -0.08 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2kl4 h VAL 6 Cb 0.68 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2kl4 h VAL 6 CO 0.14 0.20 -0.03 0.49 0.02 0.00 0.00 177.57 178.38 2kl4 n PHE 7 N -4.54 0.00 -0.37 1.57 3.72 -1.23 -4.22 117.46 112.38 2kl4 n PHE 7 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2kl4 n PHE 7 Cb 0.04 -0.01 0.15 0.00 -0.94 0.00 0.00 39.48 38.72 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 4.43 1.34 0.00 4.37 0.00 -1.44 -0.11 119.26 127.85 2kl4 h ALA 8 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kl4 h ALA 8 Cb 0.69 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kl4 h ALA 8 CO 0.00 0.55 -0.02 0.93 0.00 0.00 0.00 179.25 180.71 2kl4 h GLU 9 N 1.27 0.00 0.00 0.00 5.08 -1.78 0.14 114.58 119.29 2kl4 h GLU 9 Ca 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 2kl4 h GLU 9 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kl4 h GLU 9 CO -0.13 0.02 -0.14 -0.92 -1.00 0.00 0.00 179.01 176.84 2kl4 h TYR 10 N 0.00 0.00 -0.91 4.33 3.20 -1.33 -3.36 116.97 118.89 2kl4 h TYR 10 Ca -0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2kl4 h TYR 10 Cb 0.33 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 2kl4 h TYR 10 CO 0.00 0.52 0.60 -0.07 -1.64 0.00 0.00 178.16 177.56 2kl4 h LEU 11 N -1.00 0.96 -1.70 2.82 -0.00 -0.99 -1.48 115.31 113.92 2kl4 h LEU 11 Ca -0.03 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.90 2kl4 h LEU 11 Cb 0.54 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 2kl4 h LEU 11 CO -0.02 0.64 0.30 0.07 -0.00 0.00 0.00 178.44 179.43 2kl4 h LYS 12 N 1.10 0.37 -0.01 1.13 2.10 -0.92 -1.48 116.57 118.87 2kl4 h LYS 12 Ca 0.38 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 2kl4 h LYS 12 Cb 0.09 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2kl4 h LYS 12 CO -0.13 0.24 -0.12 0.41 -2.00 0.00 0.00 179.45 177.86 2kl4 n GLY 13 N -1.51 -0.62 3.56 0.07 0.00 -0.57 -4.59 105.19 101.52 2kl4 n GLY 13 Ca 0.05 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.32 3.80 -2.00 -0.61 1.01 -0.56 -4.78 121.20 115.73 2kl4 s ILE 14 Ca 0.31 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2kl4 s ILE 14 Cb 0.20 -4.81 0.13 0.00 0.01 0.00 0.00 42.46 37.99 2kl4 s ILE 14 CO 0.44 -1.71 1.00 -0.67 0.00 0.00 0.00 174.94 174.01 2kl4 n ASP 15 N 10.04 0.00 -3.50 3.58 2.03 -1.26 -4.07 116.55 123.37 2kl4 n ASP 15 Ca 0.32 -1.46 -0.30 0.00 0.52 0.00 0.00 54.79 53.87 2kl4 n ASP 15 Cb 0.50 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2kl4 n HIS 16 N -0.59 3.42 0.30 -0.67 -0.00 -1.26 -4.98 115.22 111.44 2kl4 n HIS 16 Ca 0.04 -3.84 0.15 0.00 0.46 0.00 0.00 57.72 54.53 2kl4 n HIS 16 Cb 0.02 -0.69 0.71 0.00 -0.12 0.00 0.00 29.99 29.90 2kl4 n HIS 16 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kl4 h PRO 17 N 4.33 0.00 0.00 1.57 0.13 -2.00 -1.29 132.00 134.74 2kl4 h PRO 17 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kl4 h PRO 17 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2kl4 h PRO 17 CO 0.93 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.26 2kl4 h ASP 18 N 0.00 0.00 0.00 1.44 3.32 -1.94 -3.20 116.42 116.04 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 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2kl4 h ASP 18 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 2kl4 n HIS 19 N -2.51 0.00 0.03 4.55 -0.00 -0.49 -4.85 115.22 111.94 2kl4 n HIS 19 Ca -0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.72 57.51 2kl4 n HIS 19 Cb 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.99 30.07 2kl4 n HIS 19 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kl4 h ARG 20 N 0.00 -0.15 -0.83 -0.41 2.43 -1.54 -3.36 114.38 110.53 2kl4 h ARG 20 Ca 0.00 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.39 2kl4 h ARG 20 Cb 0.74 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 2kl4 h ARG 20 CO 0.00 -0.10 0.57 0.22 -1.51 0.00 0.00 179.97 179.15 2kl4 h ASP 21 N -0.81 0.21 -0.50 -3.80 3.58 -1.89 -0.74 116.42 112.47 2kl4 h ASP 21 Ca -0.02 0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.55 2kl4 h ASP 21 Cb 0.12 -0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.04 2kl4 h ASP 21 CO 0.03 0.09 -0.29 0.03 -2.88 0.00 0.00 179.24 176.21 2kl4 h ARG 22 N 0.22 -0.17 0.00 0.28 2.47 -1.90 0.44 114.38 115.72 2kl4 h ARG 22 Ca 0.41 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 59.10 2kl4 h ARG 22 Cb 1.29 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 2kl4 h ARG 22 CO -0.09 -0.11 -0.23 1.15 0.56 0.00 0.00 179.97 181.24 2kl4 h THR 23 N -0.17 1.09 0.00 2.04 2.02 -1.30 -2.09 112.91 114.49 2kl4 h THR 23 Ca 0.22 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 2kl4 h THR 23 Cb 0.52 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2kl4 h THR 23 CO -0.60 0.23 -0.51 -0.33 0.37 0.00 0.00 175.52 174.68 2kl4 h GLU 24 N 0.00 0.00 0.47 6.66 5.08 -0.98 -0.67 114.58 125.14 2kl4 h GLU 24 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kl4 h GLU 24 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kl4 h GLU 24 CO 0.03 0.51 -0.23 0.93 -1.00 0.00 0.00 179.01 179.25 2kl4 h GLU 25 N 0.00 -0.61 -0.35 2.33 5.08 -0.49 -1.99 114.58 118.55 2kl4 h GLU 25 Ca -0.01 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2kl4 h GLU 25 Cb 1.01 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 2kl4 h GLU 25 CO 0.07 -0.40 -0.26 0.82 -1.00 0.00 0.00 179.01 178.23 2kl4 h ILE 26 N -0.64 0.33 0.00 3.13 5.03 -1.30 0.36 117.51 124.41 2kl4 h ILE 26 Ca -0.06 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2kl4 h ILE 26 Cb 0.49 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 34.61 2kl4 h ILE 26 CO 0.11 0.00 -0.00 -0.07 -0.68 0.00 0.00 178.15 177.50 2kl4 h LEU 27 N -0.21 -0.00 -1.16 1.44 3.38 -1.08 -0.81 115.31 116.87 2kl4 h LEU 27 Ca 0.17 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2kl4 h LEU 27 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kl4 h LEU 27 CO -0.48 0.23 -0.38 0.28 0.09 0.00 0.00 178.44 178.18 2kl4 h SER 28 N -0.23 0.00 0.90 -0.43 0.02 -1.26 -2.16 113.55 110.39 2kl4 h SER 28 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2kl4 h SER 28 Cb 0.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2kl4 h SER 28 CO 0.00 0.38 -0.43 -0.25 -1.14 0.00 0.00 176.83 175.39 2kl4 h TRP 29 N 0.00 -1.12 -0.77 3.45 7.01 -0.72 -3.20 115.95 120.61 2kl4 h TRP 29 Ca -0.00 -0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.14 2kl4 h TRP 29 Cb 0.77 0.37 -0.12 0.00 -2.10 0.00 0.00 29.16 28.08 2kl4 h TRP 29 CO 0.00 -0.70 0.18 0.28 -2.79 0.00 0.00 178.44 175.42 2kl4 h VAL 30 N -1.29 0.47 0.00 2.65 2.07 -0.98 0.14 116.25 119.31 2kl4 h VAL 30 Ca -0.12 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2kl4 h VAL 30 Cb 0.92 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2kl4 h VAL 30 CO 0.20 0.05 0.03 0.00 0.02 0.00 0.00 177.57 177.87 2kl4 n ALA 31 N -2.68 0.98 -0.03 1.67 0.00 -0.83 -1.54 120.51 118.09 2kl4 n ALA 31 Ca 0.15 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.65 2kl4 n ALA 31 Cb 0.50 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.65 2.58 -0.03 0.00 0.00 0.18 -4.48 120.51 117.11 2kl4 n ALA 32 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.17 2kl4 n ALA 32 Cb 0.05 0.40 0.27 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.23 1.20 -2.40 0.00 2.02 -0.76 -3.25 112.91 109.49 2kl4 h THR 33 Ca -0.15 -0.79 -0.59 0.00 0.77 0.00 0.00 66.41 65.65 2kl4 h THR 33 Cb 1.09 0.88 -0.40 0.00 -1.74 0.00 0.00 68.15 67.98 2kl4 h THR 33 CO -0.09 0.28 -0.79 0.49 0.37 0.00 0.00 175.52 175.77 2kl4 n PHE 34 N -4.28 1.68 0.42 3.16 3.72 -0.59 -4.95 117.46 116.62 2kl4 n PHE 34 Ca 0.02 -3.88 0.10 0.00 -0.05 0.00 0.00 57.45 53.64 2kl4 n PHE 34 Cb 0.24 -0.36 0.43 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.66 0.13 -0.50 -1.08 -0.04 -1.23 -1.42 135.00 132.52 2kl4 n PRO 35 Ca 0.25 0.37 -0.09 0.00 -0.04 0.00 0.00 63.50 64.00 2kl4 n PRO 35 Cb 0.44 -1.75 0.05 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.99 4.15 -4.22 3.54 5.15 -1.26 -4.72 115.26 115.91 2kl4 n ASN 36 Ca 0.02 -2.61 -0.30 0.00 -0.60 0.00 0.00 54.58 51.10 2kl4 n ASN 36 Cb 0.20 -0.76 -0.16 0.00 -0.53 0.00 0.00 39.78 38.53 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 -1.08 2.01 0.07 1.20 1.43 -0.50 -4.43 118.68 117.38 2kl4 s LEU 37 Ca 0.19 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2kl4 s LEU 37 Cb 0.15 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2kl4 s LEU 37 CO 0.02 0.20 0.09 -1.61 0.23 0.00 0.00 176.35 175.28 2kl4 s GLU 38 N -0.02 2.95 0.60 1.70 0.41 -0.49 -4.90 118.70 118.95 2kl4 s GLU 38 Ca -0.06 -0.64 -0.16 0.00 -0.41 0.00 0.00 54.97 53.70 2kl4 s GLU 38 Cb -0.14 -2.77 -0.03 0.00 -1.78 0.00 0.00 34.13 29.41 2kl4 s GLU 38 CO 0.04 0.58 1.06 -1.25 -0.49 0.00 0.00 175.26 175.20 2kl4 s PRO 39 N -2.32 3.25 -0.30 0.39 0.04 -1.26 -0.79 135.00 134.01 2kl4 s PRO 39 Ca 0.29 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 2kl4 s PRO 39 Cb -0.12 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.56 2kl4 s PRO 39 CO 0.22 -0.87 0.72 -1.14 0.04 0.00 0.00 177.00 175.96 2kl4 s GLN 40 N -4.10 0.49 -0.20 4.56 0.74 -0.83 -4.76 119.66 115.57 2kl4 s GLN 40 Ca 0.64 1.03 -0.27 0.00 0.05 0.00 0.00 55.36 56.81 2kl4 s GLN 40 Cb -0.17 0.60 -0.00 0.00 1.10 0.00 0.00 33.01 34.54 2kl4 s GLN 40 CO 0.38 -0.38 0.94 -1.64 -0.55 0.00 0.00 175.29 174.03 2kl4 s MET 41 N 2.83 4.27 -0.01 1.67 -1.94 -1.26 -1.39 119.30 123.48 2kl4 s MET 41 Ca 0.07 1.18 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 2kl4 s MET 41 Cb -0.12 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.10 2kl4 s MET 41 CO -0.19 -0.50 -0.01 0.21 -0.01 0.00 0.00 175.02 174.52 2kl4 s LYS 42 N 2.73 0.15 -1.18 2.03 2.20 -0.25 -4.82 119.74 120.60 2kl4 s LYS 42 Ca 0.41 -0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.91 2kl4 s LYS 42 Cb -0.16 -0.18 0.06 0.00 -1.51 0.00 0.00 37.83 36.05 2kl4 s LYS 42 CO 0.09 0.01 0.38 0.91 -0.36 0.00 0.00 175.35 176.38 2kl4 n TRP 43 N 3.21 -1.72 -1.31 4.03 7.02 -1.26 -0.43 117.44 126.98 2kl4 n TRP 43 Ca -0.15 0.37 -0.11 0.00 -1.02 0.00 0.00 57.50 56.59 2kl4 n TRP 43 Cb 0.58 -2.74 -0.05 0.00 -2.42 0.00 0.00 31.31 26.68 2kl4 n TRP 43 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2kl4 n ASN 44 N -2.16 -4.67 -4.42 -0.99 3.02 -1.26 -5.00 115.26 99.77 2kl4 n ASN 44 Ca -0.03 0.27 -0.29 0.00 -0.03 0.00 0.00 54.58 54.50 2kl4 n ASN 44 Cb 0.55 -3.12 -0.13 0.00 -0.61 0.00 0.00 39.78 36.47 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2kl4 s THR 45 N -2.28 2.46 -0.53 3.41 -4.23 0.43 -4.96 115.64 109.94 2kl4 s THR 45 Ca 0.00 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 2kl4 s THR 45 Cb 0.00 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.76 2kl4 s THR 45 CO 0.00 0.12 1.33 -2.16 -0.54 0.00 0.00 174.62 173.36 2kl4 s PRO 46 N -2.02 3.45 0.49 3.99 0.04 -1.24 -1.09 135.00 138.62 2kl4 s PRO 46 Ca 0.15 0.49 0.05 0.00 0.04 0.00 0.00 61.00 61.72 2kl4 s PRO 46 Cb -0.10 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 2kl4 s PRO 46 CO 0.07 -1.75 0.20 0.00 0.04 0.00 0.00 177.00 175.56 2kl4 s MET 47 N 5.16 2.22 0.05 4.56 0.23 -0.49 -2.69 119.30 128.34 2kl4 s MET 47 Ca 0.51 -2.10 -0.00 0.00 -1.03 0.00 0.00 55.69 53.07 2kl4 s MET 47 Cb -0.10 -1.87 -0.03 0.00 -1.53 0.00 0.00 34.83 31.30 2kl4 s MET 47 CO 0.27 -0.38 -0.04 -0.06 -2.03 0.00 0.00 175.02 172.78 2kl4 s PHE 48 N -2.76 0.51 -0.09 3.16 0.40 -1.25 -1.96 117.98 115.99 2kl4 s PHE 48 Ca 0.27 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 2kl4 s PHE 48 Cb 0.01 -0.35 0.02 0.00 0.51 0.00 0.00 43.02 43.21 2kl4 s PHE 48 CO 0.15 -0.26 -0.07 -1.54 0.70 0.00 0.00 175.22 174.20 2kl4 s SER 49 N -2.38 1.93 -0.77 1.36 1.04 0.03 -4.18 113.70 110.74 2kl4 s SER 49 Ca -0.01 -0.26 -0.26 0.00 0.48 0.00 0.00 55.95 55.91 2kl4 s SER 49 Cb 0.01 -0.75 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 2kl4 s SER 49 CO -0.06 -0.10 1.78 0.21 0.98 0.00 0.00 173.24 176.05 2kl4 s ASN 50 N 1.51 5.46 0.00 7.02 3.84 -1.26 -1.40 114.94 130.11 2kl4 s ASN 50 Ca 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 52.86 52.78 2kl4 s ASN 50 Cb -0.13 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 2kl4 s ASN 50 CO -0.05 -2.35 0.00 0.00 -2.79 0.00 0.00 177.10 171.91 2kl4 n GLN 51 N 9.07 0.00 0.00 0.43 6.02 -1.26 -1.95 117.38 129.68 2kl4 n GLN 51 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2kl4 n GLN 51 Cb 0.50 -3.82 0.00 0.00 1.02 0.00 0.00 30.24 27.93 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 -1.63 0.20 0.00 1.08 0.00 -1.26 -5.12 105.19 98.46 2kl4 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kl4 n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kl4 n THR 53 N 0.00 0.00 -1.90 2.61 -2.24 -0.82 -4.93 114.28 106.99 2kl4 n THR 53 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2kl4 n THR 53 Cb 0.00 -1.97 0.08 0.00 -2.10 0.00 0.00 70.33 66.34 2kl4 n THR 53 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2kl4 n PHE 54 N -0.97 0.00 0.44 4.78 7.35 -1.26 -4.22 117.46 123.58 2kl4 n PHE 54 Ca 0.00 -0.67 0.04 0.00 -0.76 0.00 0.00 57.45 56.06 2kl4 n PHE 54 Cb 0.00 -0.14 0.22 0.00 0.35 0.00 0.00 39.48 39.91 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 -0.35 0.52 -3.70 -2.13 5.41 -1.26 -4.66 119.36 113.19 2kl4 n ILE 55 Ca 0.09 0.13 -0.10 0.00 1.00 0.00 0.00 62.75 63.87 2kl4 n ILE 55 Cb 0.83 -0.99 -0.04 0.00 -0.71 0.00 0.00 39.64 38.73 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 -2.35 0.03 0.00 1.39 2.07 -1.21 -4.22 121.20 116.91 2kl4 s ILE 56 Ca 0.10 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 2kl4 s ILE 56 Cb 0.06 -1.48 0.00 0.00 0.13 0.00 0.00 42.46 41.17 2kl4 s ILE 56 CO 0.12 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2kl4 n GLY 57 N -0.33 1.87 3.22 1.50 0.00 -1.25 -3.94 105.19 106.25 2kl4 n GLY 57 Ca -0.11 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.27 1.20 0.10 1.61 -0.12 -1.09 -4.37 117.98 115.04 2kl4 s PHE 58 Ca 0.00 -1.32 -0.06 0.00 -0.05 0.00 0.00 56.93 55.50 2kl4 s PHE 58 Cb 0.00 -0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 41.76 2kl4 s PHE 58 CO 0.00 -0.57 0.14 -1.54 -0.05 0.00 0.00 175.22 173.21 2kl4 s SER 59 N -3.18 0.21 0.57 1.98 1.04 -1.24 -3.59 113.70 109.50 2kl4 s SER 59 Ca 0.37 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.75 2kl4 s SER 59 Cb 0.07 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2kl4 s SER 59 CO 0.11 -0.73 1.22 0.42 0.98 0.00 0.00 173.24 175.24 2kl4 s THR 60 N -3.92 2.60 0.20 2.02 -4.23 -1.26 -2.33 115.64 108.72 2kl4 s THR 60 Ca 0.11 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 2kl4 s THR 60 Cb 0.06 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 2kl4 s THR 60 CO -0.07 -0.06 0.09 -0.55 -0.54 0.00 0.00 174.62 173.48 2kl4 s SER 61 N -1.49 0.67 0.52 3.99 0.15 0.63 -4.87 113.70 113.30 2kl4 s SER 61 Ca 0.75 -1.32 0.18 0.00 0.70 0.00 0.00 55.95 56.27 2kl4 s SER 61 Cb -0.32 0.26 1.29 0.00 -1.71 0.00 0.00 66.02 65.54 2kl4 s SER 61 CO 0.35 -0.74 2.11 0.50 1.20 0.00 0.00 173.24 176.66 2kl4 h LYS 62 N 2.60 0.01 0.00 5.44 1.63 -2.02 -2.35 116.57 121.89 2kl4 h LYS 62 Ca -0.37 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2kl4 h LYS 62 Cb 1.23 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kl4 h LYS 62 CO 0.58 0.01 -0.14 0.72 -3.45 0.00 0.00 179.45 177.16 2kl4 n HIS 63 N -4.50 0.00 -3.84 1.91 8.25 -1.26 -5.09 115.22 110.69 2kl4 n HIS 63 Ca 0.00 -0.12 -0.08 0.00 -0.26 0.00 0.00 57.72 57.26 2kl4 n HIS 63 Cb 0.22 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.30 -0.12 -0.22 4.41 -3.43 -0.88 -1.06 115.29 113.68 2kl4 s HIS 64 Ca 0.02 -0.29 -0.06 0.00 -0.80 0.00 0.00 55.06 53.93 2kl4 s HIS 64 Cb 0.02 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.73 2kl4 s HIS 64 CO 0.00 -1.14 0.02 -1.17 -2.00 0.00 0.00 174.74 170.45 2kl4 s LEU 65 N -2.92 3.33 -0.22 5.38 2.96 -0.98 -0.27 118.68 125.97 2kl4 s LEU 65 Ca 0.12 -0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 2kl4 s LEU 65 Cb -0.04 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2kl4 s LEU 65 CO 0.05 0.03 0.65 -0.44 -1.32 0.00 0.00 176.35 175.33 2kl4 s SER 66 N 1.19 6.67 -0.01 3.68 0.01 -0.98 -3.28 113.70 120.98 2kl4 s SER 66 Ca 0.03 0.82 0.02 0.00 1.31 0.00 0.00 55.95 58.14 2kl4 s SER 66 Cb -0.14 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2kl4 s SER 66 CO 0.02 -0.32 -0.05 -0.69 0.41 0.00 0.00 173.24 172.60 2kl4 s VAL 67 N 2.16 0.47 0.16 3.43 1.01 0.14 -3.67 120.40 124.10 2kl4 s VAL 67 Ca 0.29 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 2kl4 s VAL 67 Cb -0.16 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 35.86 2kl4 s VAL 67 CO 0.10 0.15 0.78 -0.94 0.00 0.00 0.00 175.10 175.19 2kl4 s SER 68 N 0.13 -0.34 -0.10 3.32 1.04 -1.26 -1.25 113.70 115.23 2kl4 s SER 68 Ca -0.01 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.03 2kl4 s SER 68 Cb -0.05 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.54 2kl4 s SER 68 CO -0.00 -0.99 0.36 1.55 0.98 0.00 0.00 173.24 175.14 2kl4 h PRO 69 N 2.00 -0.07 0.00 4.02 0.13 -1.91 -3.34 132.00 132.83 2kl4 h PRO 69 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2kl4 h PRO 69 Cb 1.26 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kl4 h PRO 69 CO 0.29 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2kl4 n GLU 70 N -4.78 0.00 0.00 0.86 1.02 -1.26 -3.29 120.64 113.19 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 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 2kl4 n GLU 70 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kl4 n GLU 71 N -0.68 0.79 0.13 3.49 0.28 -1.26 -4.87 120.64 118.52 2kl4 n GLU 71 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 2kl4 n GLU 71 Cb 0.00 -0.33 0.41 0.00 1.43 0.00 0.00 31.44 32.96 2kl4 n GLU 71 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 2kl4 h ILE 72 N 0.00 1.16 -0.70 3.84 6.09 -1.97 -2.79 117.51 123.14 2kl4 h ILE 72 Ca 0.00 -0.68 0.20 0.00 -1.37 0.00 0.00 64.86 63.01 2kl4 h ILE 72 Cb 0.00 1.16 -0.03 0.00 0.47 0.00 0.00 36.82 38.42 2kl4 h ILE 72 CO 0.00 0.21 0.73 1.23 -3.07 0.00 0.00 178.15 177.25 2kl4 h GLY 73 N 0.67 0.00 0.00 8.18 0.00 -1.90 -0.36 103.07 109.66 2kl4 h GLY 73 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2kl4 h GLY 73 CO 0.02 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.95 2kl4 n ILE 74 N -3.62 0.53 0.00 2.60 2.08 -1.07 -3.81 119.36 116.07 2kl4 n ILE 74 Ca 0.14 -0.62 0.00 0.00 0.56 0.00 0.00 62.75 62.83 2kl4 n ILE 74 Cb 0.97 0.81 0.00 0.00 -0.75 0.00 0.00 39.64 40.68 2kl4 n ILE 74 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2kl4 n SER 75 N -0.26 0.00 -0.10 4.38 2.88 -0.16 -4.38 113.62 115.98 2kl4 n SER 75 Ca 0.00 0.32 -0.19 0.00 -1.33 0.00 0.00 58.87 57.67 2kl4 n SER 75 Cb 0.25 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 63.18 2kl4 n SER 75 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2kl4 h GLN 76 N 0.00 0.00 0.00 -1.46 3.07 -1.81 -3.34 115.11 111.57 2kl4 h GLN 76 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kl4 h GLN 76 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2kl4 h GLN 76 CO 0.00 0.92 0.00 0.74 0.09 0.00 0.00 178.83 180.58 2kl4 h PHE 77 N -1.00 0.00 -0.68 0.06 -1.00 -1.73 -2.74 116.94 109.86 2kl4 h PHE 77 Ca -0.26 0.00 0.19 0.00 2.81 0.00 0.00 57.97 60.71 2kl4 h PHE 77 Cb 1.18 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 2kl4 h PHE 77 CO 0.11 0.00 0.49 0.00 -1.61 0.00 0.00 178.31 177.29 2kl4 h ALA 78 N 2.18 2.60 0.51 2.45 0.00 -1.69 -0.70 119.26 124.62 2kl4 h ALA 78 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kl4 h ALA 78 Cb 0.30 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kl4 h ALA 78 CO 0.00 -0.79 -0.25 0.22 0.00 0.00 0.00 179.25 178.43 2kl4 h ASP 79 N 0.03 -0.58 -0.58 0.00 1.82 -1.73 -2.29 116.42 113.09 2kl4 h ASP 79 Ca 0.32 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.98 2kl4 h ASP 79 Cb 1.26 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 41.39 2kl4 h ASP 79 CO -0.01 -0.17 0.38 0.00 -1.61 0.00 0.00 179.24 177.83 2kl4 h ALA 80 N -1.11 1.64 -0.08 -0.78 0.00 -1.60 0.63 119.26 117.97 2kl4 h ALA 80 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kl4 h ALA 80 Cb 0.55 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kl4 h ALA 80 CO 0.12 0.31 0.02 0.82 0.00 0.00 0.00 179.25 180.52 2kl4 h ILE 81 N 0.73 1.20 -0.24 0.00 2.04 -1.27 -2.69 117.51 117.29 2kl4 h ILE 81 Ca 0.22 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2kl4 h ILE 81 Cb -0.01 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2kl4 h ILE 81 CO -0.05 0.18 0.14 0.00 0.00 0.00 0.00 178.15 178.41 2kl4 h ALA 82 N 0.80 0.30 0.00 1.87 0.00 -0.58 -1.76 119.26 119.89 2kl4 h ALA 82 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kl4 h ALA 82 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kl4 h ALA 82 CO 0.00 -0.18 0.00 0.37 0.00 0.00 0.00 179.25 179.44 2kl4 h GLN 83 N 0.29 0.00 -0.30 0.00 4.15 -0.99 0.42 115.11 118.67 2kl4 h GLN 83 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2kl4 h GLN 83 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2kl4 h GLN 83 CO -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.89 2kl4 n ALA 84 N -1.86 2.45 -0.23 3.38 0.00 -0.68 -4.98 120.51 118.58 2kl4 n ALA 84 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2kl4 n ALA 84 Cb 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.41 0.87 3.09 0.00 0.00 0.14 -5.04 105.19 105.65 2kl4 n GLY 85 Ca 0.18 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 3.41 -0.69 1.61 2.02 -1.12 -5.04 117.35 115.53 2kl4 s TYR 86 Ca 0.00 -2.73 -0.26 0.00 -0.37 0.00 0.00 57.07 53.70 2kl4 s TYR 86 Cb 0.00 -3.18 -0.13 0.00 -0.40 0.00 0.00 41.96 38.24 2kl4 s TYR 86 CO 0.00 -0.84 2.48 0.43 -1.57 0.00 0.00 175.55 176.06 2kl4 n SER 87 N 3.49 1.49 -2.65 2.29 7.64 -1.26 -4.43 113.62 120.18 2kl4 n SER 87 Ca 0.08 -0.43 -0.08 0.00 1.01 0.00 0.00 58.87 59.45 2kl4 n SER 87 Cb 0.38 -1.35 0.05 0.00 -1.01 0.00 0.00 64.21 62.28 2kl4 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 n ALA 88 N 14.19 -0.26 -3.03 -0.43 0.00 -1.26 -4.32 120.51 125.39 2kl4 n ALA 88 Ca 0.48 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kl4 n ALA 88 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.28 0.00 0.18 0.00 -2.24 0.08 -4.96 114.28 105.05 2kl4 n THR 89 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 2kl4 n THR 89 Cb 0.18 -0.44 0.09 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2kl4 h LYS 90 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2kl4 h LYS 90 CO 0.00 0.26 -2.18 0.41 -0.57 0.00 0.00 179.45 177.36 2kl4 n GLY 91 N 1.17 -0.89 3.67 3.86 0.00 -1.26 -4.76 105.19 106.97 2kl4 n GLY 91 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.17 0.24 0.36 0.99 0.05 -1.26 -4.84 118.68 109.06 2kl4 s LEU 92 Ca -0.09 -0.97 0.08 0.00 0.05 0.00 0.00 54.13 53.21 2kl4 s LEU 92 Cb 0.07 2.10 -0.05 0.00 -2.05 0.00 0.00 46.19 46.25 2kl4 s LEU 92 CO 0.75 -1.29 0.09 0.72 -0.55 0.00 0.00 176.35 176.06 2kl4 s PHE 93 N -3.60 2.60 -0.09 3.48 -0.12 -0.38 -0.74 117.98 119.12 2kl4 s PHE 93 Ca 0.20 -0.47 -0.05 0.00 -0.05 0.00 0.00 56.93 56.56 2kl4 s PHE 93 Cb -0.02 -1.65 0.04 0.00 -0.63 0.00 0.00 43.02 40.75 2kl4 s PHE 93 CO 0.11 0.37 0.22 1.03 -0.05 0.00 0.00 175.22 176.89 2kl4 s ARG 94 N -3.79 0.20 0.03 1.99 3.00 -1.26 -0.68 118.95 118.43 2kl4 s ARG 94 Ca 0.37 0.43 -0.10 0.00 0.00 0.00 0.00 55.73 56.42 2kl4 s ARG 94 Cb 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 34.95 34.85 2kl4 s ARG 94 CO 0.21 -0.12 0.36 0.42 0.00 0.00 0.00 175.30 176.17 2kl4 s ILE 95 N 0.88 5.14 0.73 1.52 -1.09 -1.20 -4.41 121.20 122.77 2kl4 s ILE 95 Ca -0.06 0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 58.71 2kl4 s ILE 95 Cb -0.08 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2kl4 s ILE 95 CO -0.05 0.39 1.11 -2.16 -1.23 0.00 0.00 174.94 173.00 2kl4 s PRO 96 N -1.62 2.40 0.58 2.79 0.04 -1.26 -2.31 135.00 135.61 2kl4 s PRO 96 Ca 0.29 1.29 0.30 0.00 0.04 0.00 0.00 61.00 62.91 2kl4 s PRO 96 Cb -0.14 -1.91 1.76 0.00 0.04 0.00 0.00 34.50 34.25 2kl4 s PRO 96 CO 0.16 -1.55 2.22 -1.49 0.04 0.00 0.00 177.00 176.38 2kl4 h TRP 97 N -0.69 0.00 0.61 0.56 -0.00 -1.45 -3.19 115.95 111.79 2kl4 h TRP 97 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.41 2kl4 h TRP 97 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.40 2kl4 h TRP 97 CO 0.56 0.03 -0.38 -0.97 -0.00 0.00 0.00 178.44 177.68 2kl4 h ASN 98 N 0.00 -0.96 -2.93 -3.49 -1.24 -1.92 -3.47 115.58 101.58 2kl4 h ASN 98 Ca -0.00 0.05 -0.46 0.00 0.71 0.00 0.00 56.30 56.60 2kl4 h ASN 98 Cb 0.07 0.28 0.04 0.00 0.73 0.00 0.00 38.32 39.44 2kl4 h ASN 98 CO 0.00 -0.58 -0.02 -1.81 -1.29 0.00 0.00 177.43 173.73 2kl4 s ASP 99 N -3.65 5.68 0.56 1.15 1.01 -1.21 -5.06 116.67 115.16 2kl4 s ASP 99 Ca -0.14 0.34 -0.20 0.00 0.71 0.00 0.00 52.55 53.26 2kl4 s ASP 99 Cb 0.02 -1.47 -0.05 0.00 1.01 0.00 0.00 42.92 42.44 2kl4 s ASP 99 CO 0.45 -0.86 1.20 -2.16 0.21 0.00 0.00 175.17 174.01 2kl4 s PRO 100 N -4.69 3.16 -0.20 8.23 0.04 -1.26 -4.80 135.00 135.48 2kl4 s PRO 100 Ca 0.51 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.23 2kl4 s PRO 100 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2kl4 s PRO 100 CO 0.40 -1.05 0.28 0.54 0.04 0.00 0.00 177.00 177.20 2kl4 s VAL 101 N -1.60 5.29 -1.19 -0.36 0.11 -1.26 -4.97 120.40 116.44 2kl4 s VAL 101 Ca 0.74 0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 60.08 2kl4 s VAL 101 Cb -0.30 -3.61 0.08 0.00 -1.53 0.00 0.00 36.38 31.02 2kl4 s VAL 101 CO 0.33 0.33 1.57 -2.28 -3.33 0.00 0.00 175.10 171.73 2kl4 s HIS 102 N 0.91 2.85 0.37 1.54 2.46 -1.26 -4.79 115.29 117.38 2kl4 s HIS 102 Ca 0.14 -1.49 0.08 0.00 0.47 0.00 0.00 55.06 54.26 2kl4 s HIS 102 Cb -0.14 -4.64 0.80 0.00 -0.13 0.00 0.00 32.58 28.48 2kl4 s HIS 102 CO 0.05 -1.76 1.96 1.88 -2.47 0.00 0.00 174.74 174.40 2kl4 h TYR 103 N 8.17 0.71 -0.38 3.88 -1.99 -1.97 -1.12 116.97 124.27 2kl4 h TYR 103 Ca 0.34 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.94 2kl4 h TYR 103 Cb 0.92 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 2kl4 h TYR 103 CO 1.32 0.36 -0.36 1.49 -0.00 0.00 0.00 178.16 180.97 2kl4 h GLU 104 N 0.68 0.90 -0.03 4.88 4.81 -1.99 0.14 114.58 123.97 2kl4 h GLU 104 Ca 0.32 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2kl4 h GLU 104 Cb 0.35 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2kl4 h GLU 104 CO -0.11 1.11 -0.05 1.25 -0.73 0.00 0.00 179.01 180.48 2kl4 h LEU 105 N 0.74 0.09 -0.54 1.64 7.12 -1.87 -3.28 115.31 119.21 2kl4 h LEU 105 Ca 0.07 -0.56 -0.07 0.00 0.13 0.00 0.00 57.88 57.45 2kl4 h LEU 105 Cb 0.94 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2kl4 h LEU 105 CO 0.09 0.64 -0.32 0.17 -0.13 0.00 0.00 178.44 178.88 2kl4 h LEU 106 N -0.45 0.00 -0.94 2.25 8.10 -1.17 -2.42 115.31 120.68 2kl4 h LEU 106 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2kl4 h LEU 106 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.81 2kl4 h LEU 106 CO 0.01 0.32 0.13 0.07 -4.11 0.00 0.00 178.44 174.87 2kl4 h LYS 107 N 0.00 0.90 -0.02 0.17 2.10 -0.83 -2.71 116.57 116.19 2kl4 h LYS 107 Ca -0.00 -0.20 0.02 0.00 -2.00 0.00 0.00 60.65 58.47 2kl4 h LYS 107 Cb 1.04 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.21 2kl4 h LYS 107 CO 0.04 0.81 -0.14 1.96 -2.00 0.00 0.00 179.45 180.13 2kl4 h GLN 108 N 0.87 -0.21 -0.30 0.07 4.20 -1.49 -0.78 115.11 117.46 2kl4 h GLN 108 Ca 0.19 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 2kl4 h GLN 108 Cb 0.33 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2kl4 h GLN 108 CO 0.00 -0.14 -0.34 0.00 -0.67 0.00 0.00 178.83 177.68 2kl4 h MET 109 N -0.22 0.66 -0.13 1.46 -0.00 -1.52 0.14 114.93 115.32 2kl4 h MET 109 Ca 0.05 -0.31 -0.05 0.00 -0.00 0.00 0.00 59.70 59.39 2kl4 h MET 109 Cb 0.29 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.88 2kl4 h MET 109 CO -0.15 0.91 -0.12 0.97 -0.00 0.00 0.00 176.91 178.52 2kl4 h ILE 110 N 0.56 1.35 -0.27 -0.10 -0.00 -1.34 -1.87 117.51 115.84 2kl4 h ILE 110 Ca 0.06 -1.26 0.01 0.00 -0.00 0.00 0.00 64.86 63.66 2kl4 h ILE 110 Cb 0.85 1.89 -0.02 0.00 -0.00 0.00 0.00 36.82 39.54 2kl4 h ILE 110 CO 0.07 0.37 0.17 -0.33 -0.00 0.00 0.00 178.15 178.43 2kl4 h GLU 111 N -0.07 0.34 -0.86 2.19 4.39 -1.00 -1.96 114.58 117.61 2kl4 h GLU 111 Ca 0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kl4 h GLU 111 Cb 0.64 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 2kl4 h GLU 111 CO 0.03 0.23 0.45 0.35 -1.16 0.00 0.00 179.01 178.91 2kl4 h PHE 112 N 0.35 1.20 0.00 4.33 3.57 -0.78 0.64 116.94 126.25 2kl4 h PHE 112 Ca 0.10 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kl4 h PHE 112 Cb -0.03 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.33 2kl4 h PHE 112 CO -0.07 0.84 -0.14 -0.97 -2.23 0.00 0.00 178.31 175.74 2kl4 h ASN 113 N 1.21 0.00 0.01 0.41 -0.00 -0.60 0.59 115.58 117.20 2kl4 h ASN 113 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.58 2kl4 h ASN 113 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.38 2kl4 h ASN 113 CO -0.04 0.14 -0.08 0.40 -0.00 0.00 0.00 177.43 177.85 2kl4 h ILE 114 N 0.00 1.74 0.00 2.57 2.04 -1.01 -3.32 117.51 119.54 2kl4 h ILE 114 Ca -0.00 -2.28 -0.01 0.00 1.00 0.00 0.00 64.86 63.56 2kl4 h ILE 114 Cb 0.42 3.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2kl4 h ILE 114 CO 0.02 0.60 -0.06 1.56 0.00 0.00 0.00 178.15 180.26 2kl4 h GLN 115 N -0.90 0.00 0.00 2.37 1.08 -0.10 -0.38 115.11 117.18 2kl4 h GLN 115 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2kl4 h GLN 115 Cb 1.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2kl4 h GLN 115 CO 0.02 0.06 -0.29 0.22 -0.95 0.00 0.00 178.83 177.89 2kl4 h ASP 116 N 0.00 0.00 0.02 1.46 3.58 -1.08 -3.29 116.42 117.11 2kl4 h ASP 116 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kl4 h ASP 116 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2kl4 h ASP 116 CO 0.01 0.01 -0.08 0.29 -2.88 0.00 0.00 179.24 176.58 2kl4 n LYS 117 N -2.88 1.69 0.00 0.28 4.76 -0.17 -5.10 118.16 116.74 2kl4 n LYS 117 Ca 0.03 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.30 2kl4 n LYS 117 Cb 0.52 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42