#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 n SER 2 N 0.00 -5.36 0.00 1.61 7.64 -1.26 -4.96 113.62 111.29 2kl4 n SER 2 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2kl4 n SER 2 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2kl4 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 n HIS 3 N -1.93 0.00 0.31 1.43 -0.00 -1.26 -4.84 115.22 108.93 2kl4 n HIS 3 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 57.91 2kl4 n HIS 3 Cb 0.06 0.00 1.02 0.00 -0.00 0.00 0.00 29.99 31.08 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 -0.28 -1.40 0.00 -1.97 -1.22 114.93 110.07 2kl4 h MET 4 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 59.70 59.61 2kl4 h MET 4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.59 2kl4 h MET 4 CO 0.00 0.00 -0.20 0.93 0.00 0.00 0.00 176.91 177.64 2kl4 h GLU 5 N 0.00 0.62 0.04 1.72 5.08 -1.93 -3.05 114.58 117.07 2kl4 h GLU 5 Ca 0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2kl4 h GLU 5 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kl4 h GLU 5 CO 0.00 0.89 -0.02 0.28 -1.00 0.00 0.00 179.01 179.16 2kl4 h VAL 6 N 0.35 0.98 -0.19 3.13 2.07 -1.60 -3.14 116.25 117.86 2kl4 h VAL 6 Ca 0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2kl4 h VAL 6 Cb 0.74 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2kl4 h VAL 6 CO 0.05 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.15 2kl4 n PHE 7 N -5.10 0.24 -0.26 1.57 3.72 -1.21 -4.15 117.46 112.27 2kl4 n PHE 7 Ca -0.07 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2kl4 n PHE 7 Cb 0.07 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.73 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 4.11 1.03 0.00 4.37 0.00 -1.48 -0.08 119.26 127.22 2kl4 h ALA 8 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kl4 h ALA 8 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kl4 h ALA 8 CO 0.00 0.11 -0.04 0.93 0.00 0.00 0.00 179.25 180.25 2kl4 h GLU 9 N 0.77 0.00 0.02 0.00 5.08 -1.81 -1.97 114.58 116.67 2kl4 h GLU 9 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2kl4 h GLU 9 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kl4 h GLU 9 CO -0.20 0.04 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.93 2kl4 h TYR 10 N 0.00 -0.02 -0.96 4.33 3.20 -1.34 -3.36 116.97 118.82 2kl4 h TYR 10 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2kl4 h TYR 10 Cb 0.48 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.68 2kl4 h TYR 10 CO 0.00 0.34 0.60 -0.07 -1.64 0.00 0.00 178.16 177.39 2kl4 h LEU 11 N -1.00 0.91 -1.11 2.82 -0.00 -1.12 -0.83 115.31 114.97 2kl4 h LEU 11 Ca -0.00 0.03 0.18 0.00 -0.00 0.00 0.00 57.88 58.09 2kl4 h LEU 11 Cb 0.37 -0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 40.78 2kl4 h LEU 11 CO 0.00 0.53 0.61 0.07 -0.00 0.00 0.00 178.44 179.66 2kl4 h LYS 12 N 1.01 0.72 -0.00 1.13 2.10 -1.54 -2.56 116.57 117.43 2kl4 h LYS 12 Ca 0.45 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2kl4 h LYS 12 Cb 0.34 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2kl4 h LYS 12 CO -0.23 0.48 -0.25 0.41 -2.00 0.00 0.00 179.45 177.86 2kl4 n GLY 13 N -1.37 -1.06 3.66 0.07 0.00 -0.32 -4.72 105.19 101.44 2kl4 n GLY 13 Ca 0.22 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.74 3.88 -2.62 -0.61 1.01 -0.97 -4.90 121.20 114.26 2kl4 s ILE 14 Ca 0.20 1.06 0.25 0.00 0.00 0.00 0.00 60.65 62.16 2kl4 s ILE 14 Cb 0.19 -3.69 0.42 0.00 0.01 0.00 0.00 42.46 39.38 2kl4 s ILE 14 CO 0.57 -0.10 1.54 -0.67 0.00 0.00 0.00 174.94 176.28 2kl4 n ASP 15 N 6.96 2.14 -3.40 3.58 -0.08 -1.26 -4.47 116.55 120.02 2kl4 n ASP 15 Ca 0.16 -1.72 -0.31 0.00 -1.51 0.00 0.00 54.79 51.40 2kl4 n ASP 15 Cb 0.44 -0.04 -0.04 0.00 2.34 0.00 0.00 41.12 43.82 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2kl4 n HIS 16 N 0.66 3.44 0.19 -0.67 8.25 -1.26 -4.94 115.22 120.89 2kl4 n HIS 16 Ca 0.17 -3.66 0.09 0.00 -0.26 0.00 0.00 57.72 54.06 2kl4 n HIS 16 Cb 0.45 -0.73 0.61 0.00 1.12 0.00 0.00 29.99 31.44 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 4.02 0.08 0.00 -0.41 0.13 -1.98 -1.20 132.00 132.64 2kl4 h PRO 17 Ca 0.22 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2kl4 h PRO 17 Cb 0.56 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2kl4 h PRO 17 CO 0.96 0.05 0.02 -0.25 -0.23 0.00 0.00 178.00 178.55 2kl4 n ASP 18 N -4.52 0.15 0.00 1.44 8.00 -1.26 -1.70 116.55 118.66 2kl4 n ASP 18 Ca -0.01 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2kl4 n ASP 18 Cb 0.14 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.69 0.00 -0.08 1.24 8.25 -0.51 -4.80 115.22 117.63 2kl4 n HIS 19 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2kl4 n HIS 19 Cb 0.03 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 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 0.44 -0.64 -0.41 1.12 -0.75 -3.25 114.38 110.89 2kl4 h ARG 20 Ca 0.00 -0.14 0.12 0.00 -1.11 0.00 0.00 59.98 58.84 2kl4 h ARG 20 Cb 0.00 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 29.88 2kl4 h ARG 20 CO 0.00 0.62 0.43 0.22 -3.11 0.00 0.00 179.97 178.12 2kl4 h ASP 21 N 0.21 0.35 -1.01 -3.80 3.58 -1.87 0.22 116.42 114.10 2kl4 h ASP 21 Ca 0.07 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.61 2kl4 h ASP 21 Cb 0.42 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.34 2kl4 h ASP 21 CO 0.01 0.20 0.65 0.03 -2.88 0.00 0.00 179.24 177.25 2kl4 h ARG 22 N 0.38 1.11 -0.37 0.28 2.47 -1.91 -1.86 114.38 114.48 2kl4 h ARG 22 Ca 0.30 -0.07 -0.15 0.00 -1.26 0.00 0.00 59.98 58.81 2kl4 h ARG 22 Cb 0.66 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2kl4 h ARG 22 CO -0.08 0.73 -0.36 1.15 0.56 0.00 0.00 179.97 181.97 2kl4 h THR 23 N 1.14 1.28 -0.38 2.04 2.02 -1.12 -2.27 112.91 115.61 2kl4 h THR 23 Ca 0.45 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2kl4 h THR 23 Cb 0.24 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2kl4 h THR 23 CO -0.19 0.51 0.16 -0.33 0.37 0.00 0.00 175.52 176.03 2kl4 h GLU 24 N 0.72 0.57 -0.19 6.66 5.08 -1.37 -0.62 114.58 125.44 2kl4 h GLU 24 Ca 0.07 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2kl4 h GLU 24 Cb 0.93 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2kl4 h GLU 24 CO 0.09 0.54 -0.15 1.49 -1.00 0.00 0.00 179.01 179.97 2kl4 h GLU 25 N 0.48 -0.16 0.04 2.33 4.81 -1.28 -1.63 114.58 119.17 2kl4 h GLU 25 Ca 0.13 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2kl4 h GLU 25 Cb 0.18 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2kl4 h GLU 25 CO -0.01 -0.10 -0.38 0.82 -0.73 0.00 0.00 179.01 178.60 2kl4 h ILE 26 N -0.16 0.20 -0.08 2.32 2.04 -1.30 0.14 117.51 120.68 2kl4 h ILE 26 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2kl4 h ILE 26 Cb 0.33 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2kl4 h ILE 26 CO -0.28 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.55 2kl4 h LEU 27 N -0.57 -0.75 -0.96 1.44 3.38 -0.58 0.11 115.31 117.38 2kl4 h LEU 27 Ca 0.04 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2kl4 h LEU 27 Cb 0.63 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2kl4 h LEU 27 CO -0.27 -0.30 -0.43 0.28 0.09 0.00 0.00 178.44 177.81 2kl4 h SER 28 N -0.34 0.20 0.01 -0.43 0.02 -1.27 -1.62 113.55 110.13 2kl4 h SER 28 Ca 0.09 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kl4 h SER 28 Cb 0.46 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2kl4 h SER 28 CO -0.27 0.61 -0.01 -0.25 -1.14 0.00 0.00 176.83 175.77 2kl4 h TRP 29 N 0.16 -0.02 0.20 3.45 7.01 0.11 -0.35 115.95 126.51 2kl4 h TRP 29 Ca 0.01 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2kl4 h TRP 29 Cb 0.82 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 2kl4 h TRP 29 CO 0.01 0.15 -0.10 0.28 -2.79 0.00 0.00 178.44 175.99 2kl4 h VAL 30 N -0.18 0.79 0.00 2.65 2.07 -0.73 0.90 116.25 121.75 2kl4 h VAL 30 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kl4 h VAL 30 Cb 0.17 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kl4 h VAL 30 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2kl4 n ALA 31 N -2.21 1.86 -0.08 1.67 0.00 -0.62 -0.55 120.51 120.59 2kl4 n ALA 31 Ca -0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 2kl4 n ALA 31 Cb 0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 2kl4 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl4 n ALA 32 N -1.07 1.47 0.05 0.00 0.00 -0.15 -4.32 120.51 116.49 2kl4 n ALA 32 Ca 0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 2kl4 n ALA 32 Cb 0.05 0.13 0.24 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.76 1.26 -2.26 0.00 2.02 -0.76 -3.32 112.91 109.08 2kl4 h THR 33 Ca -0.20 -1.22 -0.59 0.00 0.77 0.00 0.00 66.41 65.17 2kl4 h THR 33 Cb 1.03 1.39 -0.40 0.00 -1.74 0.00 0.00 68.15 68.42 2kl4 h THR 33 CO -0.12 0.38 -0.83 0.49 0.37 0.00 0.00 175.52 175.81 2kl4 n PHE 34 N -4.13 1.55 1.07 3.16 3.72 0.29 -4.96 117.46 118.16 2kl4 n PHE 34 Ca -0.01 -3.85 0.12 0.00 -0.05 0.00 0.00 57.45 53.66 2kl4 n PHE 34 Cb 0.39 -0.39 0.59 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.45 0.26 -0.11 -1.08 -0.04 -1.25 -3.38 135.00 130.85 2kl4 n PRO 35 Ca 0.25 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.68 2kl4 n PRO 35 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2kl4 n PRO 35 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kl4 h ASN 36 N 0.00 0.46 -4.07 3.54 2.35 -1.92 -3.45 115.58 112.50 2kl4 h ASN 36 Ca 0.00 -0.18 -0.55 0.00 -0.55 0.00 0.00 56.30 55.01 2kl4 h ASN 36 Cb 0.27 -0.12 0.14 0.00 0.05 0.00 0.00 38.32 38.66 2kl4 h ASN 36 CO 0.00 0.52 0.59 -0.76 -1.65 0.00 0.00 177.43 176.13 2kl4 s LEU 37 N -9.77 3.77 -0.01 1.61 2.01 -1.22 -4.75 118.68 110.33 2kl4 s LEU 37 Ca -0.13 2.74 -0.01 0.00 0.01 0.00 0.00 54.13 56.74 2kl4 s LEU 37 Cb 0.09 -4.36 -0.04 0.00 0.01 0.00 0.00 46.19 41.89 2kl4 s LEU 37 CO 0.74 -1.70 0.07 -1.61 1.01 0.00 0.00 176.35 174.86 2kl4 s GLU 38 N -3.04 3.05 0.82 1.70 0.41 0.27 -4.86 118.70 117.05 2kl4 s GLU 38 Ca 0.75 -0.48 -0.11 0.00 -0.41 0.00 0.00 54.97 54.72 2kl4 s GLU 38 Cb -0.40 -2.85 0.08 0.00 -1.78 0.00 0.00 34.13 29.19 2kl4 s GLU 38 CO 0.46 0.65 1.10 -1.25 -0.49 0.00 0.00 175.26 175.73 2kl4 s PRO 39 N -1.67 1.86 -0.26 0.39 0.04 -1.26 -0.49 135.00 133.62 2kl4 s PRO 39 Ca 0.22 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 2kl4 s PRO 39 Cb -0.12 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.64 2kl4 s PRO 39 CO 0.13 -1.90 0.65 -1.14 0.04 0.00 0.00 177.00 174.77 2kl4 s GLN 40 N -4.88 0.66 -0.42 4.56 0.74 -0.80 -4.75 119.66 114.77 2kl4 s GLN 40 Ca 0.62 1.15 -0.29 0.00 0.05 0.00 0.00 55.36 56.90 2kl4 s GLN 40 Cb -0.18 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.08 2kl4 s GLN 40 CO 0.57 -0.15 1.11 -1.64 -0.55 0.00 0.00 175.29 174.62 2kl4 s MET 41 N 1.57 3.85 -0.10 1.67 -1.94 -1.26 -2.28 119.30 120.81 2kl4 s MET 41 Ca -0.10 0.74 0.03 0.00 -1.71 0.00 0.00 55.69 54.66 2kl4 s MET 41 Cb -0.06 -3.84 0.01 0.00 2.01 0.00 0.00 34.83 32.95 2kl4 s MET 41 CO -0.18 -1.20 -0.19 0.21 -0.01 0.00 0.00 175.02 173.65 2kl4 s LYS 42 N 4.13 2.54 -1.31 2.03 2.47 -0.70 -4.67 119.74 124.24 2kl4 s LYS 42 Ca 0.47 -0.70 0.00 0.00 -1.56 0.00 0.00 55.97 54.18 2kl4 s LYS 42 Cb -0.09 -2.02 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 2kl4 s LYS 42 CO 0.25 0.07 0.00 0.91 0.16 0.00 0.00 175.35 176.74 2kl4 n TRP 43 N 3.81 -0.93 -2.29 4.03 7.02 -1.26 -0.44 117.44 127.38 2kl4 n TRP 43 Ca -0.20 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.09 2kl4 n TRP 43 Cb 0.52 -2.86 -0.02 0.00 -2.42 0.00 0.00 31.31 26.54 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 -5.54 -4.35 -0.99 5.15 -1.26 -5.01 115.26 101.93 2kl4 n ASN 44 Ca -0.16 0.03 -0.28 0.00 -0.60 0.00 0.00 54.58 53.57 2kl4 n ASN 44 Cb 0.56 -4.60 -0.14 0.00 -0.53 0.00 0.00 39.78 35.07 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 -2.94 2.09 0.16 -0.44 -4.23 0.42 -4.97 115.64 105.71 2kl4 s THR 45 Ca 0.00 -1.54 -0.30 0.00 -1.18 0.00 0.00 61.69 58.67 2kl4 s THR 45 Cb 0.00 -1.82 -0.08 0.00 1.34 0.00 0.00 72.50 71.94 2kl4 s THR 45 CO 0.00 0.19 1.24 -2.16 -0.54 0.00 0.00 174.62 173.35 2kl4 s PRO 46 N -1.65 4.44 0.27 3.99 0.04 -1.23 -1.72 135.00 139.14 2kl4 s PRO 46 Ca 0.12 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 2kl4 s PRO 46 Cb -0.10 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2kl4 s PRO 46 CO 0.04 -0.19 0.39 0.00 0.04 0.00 0.00 177.00 177.27 2kl4 s MET 47 N 0.19 1.60 0.07 4.56 0.23 -0.96 -2.14 119.30 122.85 2kl4 s MET 47 Ca 0.56 -1.55 0.03 0.00 -1.03 0.00 0.00 55.69 53.71 2kl4 s MET 47 Cb -0.33 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.35 2kl4 s MET 47 CO 0.35 -0.64 -0.10 -0.06 -2.03 0.00 0.00 175.02 172.55 2kl4 s PHE 48 N -3.69 0.92 -0.03 3.16 0.40 -1.04 -1.91 117.98 115.79 2kl4 s PHE 48 Ca 0.30 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 2kl4 s PHE 48 Cb 0.01 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 43.01 2kl4 s PHE 48 CO 0.14 -0.04 -0.22 -1.54 0.70 0.00 0.00 175.22 174.26 2kl4 s SER 49 N -2.03 2.63 -0.79 1.36 1.04 0.36 -4.03 113.70 112.24 2kl4 s SER 49 Ca -0.01 -0.41 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 2kl4 s SER 49 Cb -0.06 -0.41 0.10 0.00 0.10 0.00 0.00 66.02 65.74 2kl4 s SER 49 CO 0.00 0.26 1.05 0.21 0.98 0.00 0.00 173.24 175.74 2kl4 s ASN 50 N -0.40 6.38 0.00 7.02 2.47 -1.26 -0.57 114.94 128.58 2kl4 s ASN 50 Ca 0.05 -1.46 0.00 0.00 0.42 0.00 0.00 52.86 51.87 2kl4 s ASN 50 Cb -0.10 -2.42 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2kl4 s ASN 50 CO 0.00 -1.28 0.00 0.00 -3.72 0.00 0.00 177.10 172.10 2kl4 n GLN 51 N 7.27 0.00 0.00 0.43 6.02 -1.26 -2.85 117.38 126.99 2kl4 n GLN 51 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2kl4 n GLN 51 Cb 0.47 -2.98 0.00 0.00 1.02 0.00 0.00 30.24 28.75 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 -1.78 0.00 0.40 1.08 0.00 -1.26 -5.10 105.19 98.53 2kl4 n GLY 52 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.58 2.61 -2.24 -1.13 -4.93 114.28 107.01 2kl4 n THR 53 Ca 0.00 -0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 2kl4 n THR 53 Cb 0.00 -1.62 0.13 0.00 -2.10 0.00 0.00 70.33 66.74 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 -2.39 0.00 0.76 4.78 7.35 -1.26 -4.17 117.46 122.53 2kl4 n PHE 54 Ca 0.02 -0.98 0.07 0.00 -0.76 0.00 0.00 57.45 55.79 2kl4 n PHE 54 Cb 0.06 -0.17 0.38 0.00 0.35 0.00 0.00 39.48 40.10 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 -0.87 0.27 -3.57 -2.13 5.41 -1.26 -4.62 119.36 112.59 2kl4 n ILE 55 Ca 0.14 0.07 -0.16 0.00 1.00 0.00 0.00 62.75 63.80 2kl4 n ILE 55 Cb 0.73 -0.85 -0.06 0.00 -0.71 0.00 0.00 39.64 38.75 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 -2.24 0.00 -0.20 1.39 2.07 -1.19 -4.23 121.20 116.80 2kl4 s ILE 56 Ca 0.17 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.12 2kl4 s ILE 56 Cb 0.09 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.82 2kl4 s ILE 56 CO 0.18 0.00 1.09 -0.83 -1.91 0.00 0.00 174.94 173.47 2kl4 s GLY 57 N -0.54 -0.16 0.16 1.50 0.00 -1.25 -2.51 107.32 104.51 2kl4 s GLY 57 Ca -0.06 2.30 -0.05 0.00 0.00 0.00 0.00 44.72 46.91 2kl4 s GLY 57 CO 0.06 1.15 0.19 -0.11 0.00 0.00 0.00 173.10 174.38 2kl4 s PHE 58 N -0.94 0.66 -0.07 1.90 -0.12 -0.91 -4.28 117.98 114.22 2kl4 s PHE 58 Ca 0.01 -1.01 -0.15 0.00 -0.05 0.00 0.00 56.93 55.74 2kl4 s PHE 58 Cb -0.01 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.15 2kl4 s PHE 58 CO -0.02 -0.65 0.36 0.45 -0.05 0.00 0.00 175.22 175.31 2kl4 s SER 59 N -3.02 -0.31 0.51 1.98 0.15 -1.21 -3.57 113.70 108.23 2kl4 s SER 59 Ca 0.23 0.43 -0.22 0.00 0.70 0.00 0.00 55.95 57.08 2kl4 s SER 59 Cb 0.05 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 2kl4 s SER 59 CO 0.03 -0.31 1.33 0.42 1.20 0.00 0.00 173.24 175.90 2kl4 s THR 60 N -0.62 2.28 0.39 6.45 -4.23 -1.26 -2.57 115.64 116.08 2kl4 s THR 60 Ca -0.07 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 2kl4 s THR 60 Cb -0.04 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2kl4 s THR 60 CO 0.03 0.00 0.08 -0.44 -0.54 0.00 0.00 174.62 173.75 2kl4 s SER 61 N -0.97 2.81 0.27 3.99 0.01 0.34 -4.89 113.70 115.27 2kl4 s SER 61 Ca 0.68 -1.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.36 2kl4 s SER 61 Cb -0.39 0.25 0.36 0.00 0.21 0.00 0.00 66.02 66.45 2kl4 s SER 61 CO 0.46 -0.78 1.94 0.50 0.41 0.00 0.00 173.24 175.77 2kl4 h LYS 62 N 1.87 1.20 0.00 12.44 3.64 -1.99 -3.22 116.57 130.51 2kl4 h LYS 62 Ca -0.39 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2kl4 h LYS 62 Cb 1.27 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2kl4 h LYS 62 CO 0.65 0.80 -0.20 0.72 -2.27 0.00 0.00 179.45 179.14 2kl4 n HIS 63 N -4.41 0.00 -4.03 1.91 8.25 -1.26 -5.10 115.22 110.58 2kl4 n HIS 63 Ca 0.11 -0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 2kl4 n HIS 63 Cb 0.04 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.13 0.77 0.29 4.41 -3.43 -1.22 -2.34 115.29 113.64 2kl4 s HIS 64 Ca 0.01 -1.10 0.08 0.00 -0.80 0.00 0.00 55.06 53.24 2kl4 s HIS 64 Cb 0.01 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 2kl4 s HIS 64 CO 0.00 -1.17 0.20 -1.17 -2.00 0.00 0.00 174.74 170.59 2kl4 s LEU 65 N -3.17 3.63 -0.24 5.38 0.20 -0.81 -0.50 118.68 123.18 2kl4 s LEU 65 Ca 0.27 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.67 2kl4 s LEU 65 Cb -0.01 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2kl4 s LEU 65 CO 0.16 -0.15 -0.10 -0.94 -0.29 0.00 0.00 176.35 175.04 2kl4 s SER 66 N -3.87 4.10 -0.02 3.68 1.04 -1.06 -3.19 113.70 114.37 2kl4 s SER 66 Ca 0.35 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.86 2kl4 s SER 66 Cb -0.07 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.46 2kl4 s SER 66 CO 0.25 -0.12 -0.10 -0.69 0.98 0.00 0.00 173.24 173.56 2kl4 s VAL 67 N 1.26 0.82 0.06 5.02 1.01 -0.04 -3.35 120.40 125.18 2kl4 s VAL 67 Ca -0.01 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2kl4 s VAL 67 Cb -0.17 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.58 2kl4 s VAL 67 CO -0.06 0.25 0.85 -0.55 0.00 0.00 0.00 175.10 175.58 2kl4 s SER 68 N 0.13 -0.37 -0.12 3.32 0.15 -1.26 -0.83 113.70 114.71 2kl4 s SER 68 Ca -0.02 -0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.46 2kl4 s SER 68 Cb -0.08 0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 64.61 2kl4 s SER 68 CO 0.00 -0.74 0.14 1.55 1.20 0.00 0.00 173.24 175.39 2kl4 h PRO 69 N 2.00 0.00 0.00 5.44 0.13 -1.91 -3.33 132.00 134.33 2kl4 h PRO 69 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2kl4 h PRO 69 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kl4 h PRO 69 CO 0.31 0.27 0.00 0.39 -0.23 0.00 0.00 178.00 178.74 2kl4 n GLU 70 N -4.69 0.00 0.00 0.86 1.02 -1.26 -3.18 120.64 113.38 2kl4 n GLU 70 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2kl4 n GLU 70 Cb 0.19 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 -0.41 0.16 -0.30 3.49 0.28 -1.26 -4.75 120.64 117.85 2kl4 n GLU 71 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2kl4 n GLU 71 Cb 0.00 -0.67 0.34 0.00 1.43 0.00 0.00 31.44 32.54 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 0.83 -0.12 3.84 6.09 -1.97 -0.78 117.51 125.40 2kl4 h ILE 72 Ca 0.00 -0.26 0.04 0.00 -1.37 0.00 0.00 64.86 63.26 2kl4 h ILE 72 Cb 0.34 0.00 -0.00 0.00 0.47 0.00 0.00 36.82 37.63 2kl4 h ILE 72 CO 0.00 0.14 0.36 1.23 -3.07 0.00 0.00 178.15 176.81 2kl4 h GLY 73 N 0.76 0.00 -0.00 8.18 0.00 -1.90 0.44 103.07 110.55 2kl4 h GLY 73 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2kl4 h GLY 73 CO -0.24 0.00 -0.00 1.39 0.00 0.00 0.00 176.54 177.69 2kl4 n ILE 74 N -3.16 0.00 -0.05 2.60 2.08 -0.32 -1.97 119.36 118.55 2kl4 n ILE 74 Ca 0.01 -0.50 -0.04 0.00 0.56 0.00 0.00 62.75 62.78 2kl4 n ILE 74 Cb 0.44 1.00 -0.01 0.00 -0.75 0.00 0.00 39.64 40.32 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 -0.53 1.12 0.02 4.38 7.64 -0.69 -4.37 113.62 121.19 2kl4 n SER 75 Ca 0.00 0.34 -0.01 0.00 1.01 0.00 0.00 58.87 60.21 2kl4 n SER 75 Cb 0.00 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.51 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 -0.60 -0.08 0.00 1.43 5.75 -1.22 -3.36 115.11 117.04 2kl4 h GLN 76 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2kl4 h GLN 76 Cb 0.45 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2kl4 h GLN 76 CO 0.00 -0.05 0.00 1.19 -2.65 0.00 0.00 178.83 177.32 2kl4 n PHE 77 N -3.02 0.00 -0.22 3.99 3.01 -1.07 -2.82 117.46 117.34 2kl4 n PHE 77 Ca -0.01 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.64 2kl4 n PHE 77 Cb 0.03 -0.31 0.53 0.00 -0.01 0.00 0.00 39.48 39.72 2kl4 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kl4 h ALA 78 N 2.86 2.24 -0.21 4.37 0.00 -1.55 -1.43 119.26 125.54 2kl4 h ALA 78 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kl4 h ALA 78 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kl4 h ALA 78 CO 0.00 -0.50 0.09 -0.44 0.00 0.00 0.00 179.25 178.40 2kl4 h ASP 79 N 0.37 0.28 1.62 0.00 3.32 -1.78 0.17 116.42 120.40 2kl4 h ASP 79 Ca 0.44 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 2kl4 h ASP 79 Cb 1.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2kl4 h ASP 79 CO -0.15 0.34 -0.26 0.00 -1.72 0.00 0.00 179.24 177.45 2kl4 h ALA 80 N 0.95 0.84 -0.15 3.45 0.00 -1.64 -2.04 119.26 120.67 2kl4 h ALA 80 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2kl4 h ALA 80 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kl4 h ALA 80 CO -0.01 0.33 -0.06 0.82 0.00 0.00 0.00 179.25 180.34 2kl4 h ILE 81 N 0.00 1.30 -0.97 0.00 2.04 -1.11 -3.28 117.51 115.49 2kl4 h ILE 81 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2kl4 h ILE 81 Cb 1.15 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 2kl4 h ILE 81 CO 0.03 0.31 0.62 0.00 0.00 0.00 0.00 178.15 179.12 2kl4 h ALA 82 N 0.69 1.27 0.00 1.87 0.00 -0.26 0.03 119.26 122.85 2kl4 h ALA 82 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kl4 h ALA 82 Cb 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kl4 h ALA 82 CO 0.02 0.66 0.00 1.96 0.00 0.00 0.00 179.25 181.89 2kl4 h GLN 83 N 1.33 0.00 0.00 0.00 4.20 -1.48 -0.52 115.11 118.64 2kl4 h GLN 83 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2kl4 h GLN 83 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2kl4 h GLN 83 CO -0.07 0.00 -0.43 0.00 -0.67 0.00 0.00 178.83 177.66 2kl4 h ALA 84 N 2.07 0.72 0.00 3.87 0.00 -1.04 -3.48 119.26 121.40 2kl4 h ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kl4 h ALA 84 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kl4 h ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kl4 n GLY 85 N 1.31 2.45 3.63 0.00 0.00 -0.20 -5.08 105.19 107.30 2kl4 n GLY 85 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.27 2.52 -2.00 1.61 2.02 -1.22 -4.90 117.35 113.11 2kl4 s TYR 86 Ca 0.00 0.77 0.13 0.00 -0.37 0.00 0.00 57.07 57.60 2kl4 s TYR 86 Cb 0.00 -3.95 0.76 0.00 -0.40 0.00 0.00 41.96 38.37 2kl4 s TYR 86 CO 0.00 -2.05 1.31 0.43 -1.57 0.00 0.00 175.55 173.67 2kl4 n SER 87 N 7.91 0.00 0.00 2.29 7.64 -1.26 -3.70 113.62 126.50 2kl4 n SER 87 Ca 0.16 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.92 2kl4 n SER 87 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.76 0.00 -3.32 -0.43 0.00 -1.26 -4.92 120.51 109.82 2kl4 n ALA 88 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2kl4 n ALA 88 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 0.00 0.08 0.00 -2.24 0.22 -4.76 114.28 107.57 2kl4 n THR 89 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2kl4 n THR 89 Cb 0.00 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.26 0.00 -0.78 1.79 -1.95 -3.41 116.57 112.48 2kl4 h LYS 90 Ca 0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2kl4 h LYS 90 Cb 0.00 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2kl4 h LYS 90 CO 0.00 0.77 -0.03 0.41 -1.08 0.00 0.00 179.45 179.53 2kl4 n GLY 91 N 0.24 0.94 3.53 3.86 0.00 -1.26 -4.81 105.19 107.69 2kl4 n GLY 91 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2kl4 n GLY 91 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl4 s LEU 92 N -1.07 0.76 0.22 0.99 0.05 -1.26 -4.63 118.68 113.74 2kl4 s LEU 92 Ca 0.00 -1.31 0.09 0.00 0.05 0.00 0.00 54.13 52.96 2kl4 s LEU 92 Cb 0.00 1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 45.70 2kl4 s LEU 92 CO 0.00 -1.27 -0.04 0.72 -0.55 0.00 0.00 176.35 175.22 2kl4 s PHE 93 N -3.29 2.69 0.14 3.48 -0.12 -0.01 -0.61 117.98 120.25 2kl4 s PHE 93 Ca 0.28 -0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.01 2kl4 s PHE 93 Cb -0.00 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.10 2kl4 s PHE 93 CO 0.16 0.57 -0.15 1.03 -0.05 0.00 0.00 175.22 176.79 2kl4 s ARG 94 N -3.29 1.10 0.01 1.99 0.52 -1.26 -0.86 118.95 117.16 2kl4 s ARG 94 Ca 0.29 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 2kl4 s ARG 94 Cb -0.08 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.37 2kl4 s ARG 94 CO 0.18 0.19 -0.04 0.42 0.02 0.00 0.00 175.30 176.07 2kl4 s ILE 95 N -2.19 0.31 0.53 1.52 1.09 -1.19 -4.81 121.20 116.45 2kl4 s ILE 95 Ca 0.11 -0.37 -0.16 0.00 -1.10 0.00 0.00 60.65 59.13 2kl4 s ILE 95 Cb -0.05 -0.31 -0.07 0.00 -1.06 0.00 0.00 42.46 40.97 2kl4 s ILE 95 CO 0.04 -0.05 0.99 -2.16 -0.10 0.00 0.00 174.94 173.66 2kl4 s PRO 96 N -0.46 3.90 0.48 2.79 0.04 -1.26 -1.91 135.00 138.58 2kl4 s PRO 96 Ca -0.02 0.94 0.33 0.00 0.04 0.00 0.00 61.00 62.28 2kl4 s PRO 96 Cb -0.04 -2.13 1.64 0.00 0.04 0.00 0.00 34.50 34.01 2kl4 s PRO 96 CO -0.00 -0.32 1.99 -1.49 0.04 0.00 0.00 177.00 177.23 2kl4 h TRP 97 N 0.77 0.00 -0.27 0.56 -0.00 -1.81 -2.70 115.95 112.49 2kl4 h TRP 97 Ca -0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.37 2kl4 h TRP 97 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.34 2kl4 h TRP 97 CO 0.64 0.00 -0.04 -0.97 -0.00 0.00 0.00 178.44 178.07 2kl4 h ASN 98 N 0.00 0.51 -2.76 -3.49 -1.24 -1.92 -3.48 115.58 103.19 2kl4 h ASN 98 Ca 0.00 -0.35 -0.61 0.00 0.71 0.00 0.00 56.30 56.05 2kl4 h ASN 98 Cb 0.17 -0.14 -0.13 0.00 0.73 0.00 0.00 38.32 38.95 2kl4 h ASN 98 CO 0.00 0.74 -0.71 1.51 -1.29 0.00 0.00 177.43 177.68 2kl4 s ASP 99 N -6.08 4.24 0.91 1.15 1.47 -1.02 -5.09 116.67 112.25 2kl4 s ASP 99 Ca -0.13 -0.64 -0.12 0.00 1.18 0.00 0.00 52.55 52.84 2kl4 s ASP 99 Cb 0.08 -0.70 0.13 0.00 -0.34 0.00 0.00 42.92 42.09 2kl4 s ASP 99 CO 0.76 0.08 1.09 -2.16 0.68 0.00 0.00 175.17 175.62 2kl4 s PRO 100 N -3.07 1.18 -0.23 2.11 0.04 -1.26 -4.69 135.00 129.07 2kl4 s PRO 100 Ca 0.27 0.74 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 2kl4 s PRO 100 Cb -0.08 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2kl4 s PRO 100 CO 0.16 -2.28 0.23 0.08 0.04 0.00 0.00 177.00 175.24 2kl4 s VAL 101 N -2.97 5.31 -1.24 -0.36 1.01 -1.26 -4.97 120.40 115.92 2kl4 s VAL 101 Ca 0.64 0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.76 2kl4 s VAL 101 Cb -0.18 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2kl4 s VAL 101 CO 0.57 0.31 1.86 1.41 0.00 0.00 0.00 175.10 179.25 2kl4 n HIS 102 N 4.38 3.73 -0.21 5.22 8.25 -1.26 -4.76 115.22 130.57 2kl4 n HIS 102 Ca -0.13 -2.30 0.01 0.00 -0.26 0.00 0.00 57.72 55.04 2kl4 n HIS 102 Cb 0.52 -2.57 0.26 0.00 1.12 0.00 0.00 29.99 29.32 2kl4 n HIS 102 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2kl4 h TYR 103 N 8.21 0.91 -0.17 4.41 0.05 -1.97 -1.05 116.97 127.36 2kl4 h TYR 103 Ca 0.38 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.14 2kl4 h TYR 103 Cb 0.86 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2kl4 h TYR 103 CO 1.34 0.56 -0.05 1.49 -1.05 0.00 0.00 178.16 180.46 2kl4 h GLU 104 N 0.97 0.33 -0.12 4.88 4.81 -1.99 0.88 114.58 124.34 2kl4 h GLU 104 Ca 0.28 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2kl4 h GLU 104 Cb -0.06 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2kl4 h GLU 104 CO -0.07 0.61 -0.06 1.25 -0.73 0.00 0.00 179.01 180.01 2kl4 h LEU 105 N 0.03 0.26 -0.85 1.64 7.12 -1.93 -2.66 115.31 118.91 2kl4 h LEU 105 Ca 0.04 -0.41 -0.09 0.00 0.13 0.00 0.00 57.88 57.54 2kl4 h LEU 105 Cb 0.49 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 2kl4 h LEU 105 CO 0.02 0.62 -0.44 0.17 -0.13 0.00 0.00 178.44 178.67 2kl4 h LEU 106 N -0.10 0.00 -0.09 2.25 8.10 -1.24 -1.91 115.31 122.33 2kl4 h LEU 106 Ca 0.03 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.06 2kl4 h LEU 106 Cb 0.52 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.69 2kl4 h LEU 106 CO 0.02 0.44 -0.19 0.50 -4.11 0.00 0.00 178.44 175.10 2kl4 h LYS 107 N 0.00 -0.25 0.04 0.17 3.64 -0.79 -2.56 116.57 116.81 2kl4 h LYS 107 Ca -0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2kl4 h LYS 107 Cb 0.97 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2kl4 h LYS 107 CO 0.06 -0.17 -0.15 1.96 -2.27 0.00 0.00 179.45 178.88 2kl4 h GLN 108 N -0.26 -0.26 -0.31 1.90 4.20 -0.98 -1.27 115.11 118.14 2kl4 h GLN 108 Ca 0.09 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2kl4 h GLN 108 Cb 0.38 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2kl4 h GLN 108 CO -0.24 -0.17 -0.11 0.00 -0.67 0.00 0.00 178.83 177.64 2kl4 h MET 109 N -0.27 0.52 0.12 1.46 -0.00 -1.56 -1.52 114.93 113.68 2kl4 h MET 109 Ca 0.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.70 59.59 2kl4 h MET 109 Cb 0.31 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 2kl4 h MET 109 CO -0.12 0.63 -0.06 0.97 -0.00 0.00 0.00 176.91 178.33 2kl4 h ILE 110 N 0.48 1.04 -0.38 -0.10 -0.00 -1.00 -0.83 117.51 116.71 2kl4 h ILE 110 Ca 0.09 -1.18 0.08 0.00 -0.00 0.00 0.00 64.86 63.85 2kl4 h ILE 110 Cb 0.48 1.72 -0.08 0.00 -0.00 0.00 0.00 36.82 38.94 2kl4 h ILE 110 CO 0.03 0.26 -0.13 -0.33 -0.00 0.00 0.00 178.15 177.97 2kl4 h GLU 111 N -0.77 -0.05 0.01 2.19 4.39 -1.23 -1.06 114.58 118.05 2kl4 h GLU 111 Ca -0.02 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2kl4 h GLU 111 Cb 0.55 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 2kl4 h GLU 111 CO 0.03 -0.04 -0.18 0.35 -1.16 0.00 0.00 179.01 178.01 2kl4 h PHE 112 N -0.06 -0.48 0.00 4.33 3.57 -1.33 -2.05 116.94 120.92 2kl4 h PHE 112 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2kl4 h PHE 112 Cb 0.34 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2kl4 h PHE 112 CO -0.37 -0.26 -0.04 -0.97 -2.23 0.00 0.00 178.31 174.43 2kl4 h ASN 113 N -0.30 0.00 0.32 0.41 -1.24 0.12 0.28 115.58 115.17 2kl4 h ASN 113 Ca 0.05 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 2kl4 h ASN 113 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2kl4 h ASN 113 CO -0.17 0.04 -0.15 0.40 -1.29 0.00 0.00 177.43 176.26 2kl4 h ILE 114 N 0.00 0.37 0.00 2.57 2.04 -1.04 -3.35 117.51 118.10 2kl4 h ILE 114 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2kl4 h ILE 114 Cb 0.22 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2kl4 h ILE 114 CO 0.01 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.25 2kl4 n GLN 115 N -5.07 0.30 0.25 2.37 10.64 -0.42 -1.86 117.38 123.58 2kl4 n GLN 115 Ca -0.08 0.07 0.15 0.00 -1.83 0.00 0.00 57.00 55.32 2kl4 n GLN 115 Cb 0.24 -1.50 0.43 0.00 -0.86 0.00 0.00 30.24 28.55 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 -0.58 2.61 3.58 -0.64 -3.23 116.42 118.15 2kl4 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kl4 h ASP 116 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2kl4 h ASP 116 CO 0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2kl4 n LYS 117 N -3.07 4.02 0.00 0.28 4.76 -0.78 -5.10 118.16 118.27 2kl4 n LYS 117 Ca 0.02 -2.95 0.04 0.00 -2.87 0.00 0.00 58.31 52.55 2kl4 n LYS 117 Cb 0.42 -1.99 0.21 0.00 -1.84 0.00 0.00 35.03 31.83 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42