#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl4 n LEU 2 N 0.00 0.00 0.27 0.99 0.00 -1.26 -4.35 117.00 112.65 3kl4 n LEU 2 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.17 3kl4 n LEU 2 Cb 0.00 0.14 0.63 0.00 0.00 0.00 0.00 43.42 44.19 3kl4 n LEU 2 CO 0.00 0.14 0.97 1.05 0.00 0.00 0.00 177.39 179.54 3kl4 h GLU 3 N 0.00 0.00 0.00 1.96 9.09 -1.94 -2.95 114.58 120.74 3kl4 h GLU 3 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 3kl4 h GLU 3 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 3kl4 h GLU 3 CO 0.01 0.02 0.00 0.09 0.05 0.00 0.00 179.01 179.18 3kl4 n ASN 4 N -3.12 0.00 0.33 3.06 4.13 -1.26 -3.49 115.26 114.92 3kl4 n ASN 4 Ca 0.01 0.30 -0.15 0.00 1.68 0.00 0.00 54.58 56.41 3kl4 n ASN 4 Cb 0.33 -0.35 -0.08 0.00 -1.54 0.00 0.00 39.78 38.15 3kl4 n ASN 4 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3kl4 h ILE 5 N 0.00 0.16 -0.99 2.41 2.04 -1.79 -3.11 117.51 116.23 3kl4 h ILE 5 Ca 0.00 -0.31 0.37 0.00 1.00 0.00 0.00 64.86 65.91 3kl4 h ILE 5 Cb 0.06 0.22 -0.17 0.00 -0.74 0.00 0.00 36.82 36.19 3kl4 h ILE 5 CO 0.00 0.02 0.45 -0.09 0.00 0.00 0.00 178.15 178.53 3kl4 h ARG 6 N -1.14 0.08 -0.11 2.37 2.43 -1.51 0.63 114.38 117.14 3kl4 h ARG 6 Ca -0.09 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3kl4 h ARG 6 Cb 0.70 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3kl4 h ARG 6 CO 0.15 0.05 0.06 -0.44 -1.51 0.00 0.00 179.97 178.29 3kl4 h ASP 7 N 0.08 0.14 0.00 -3.80 3.32 -1.80 1.12 116.42 115.48 3kl4 h ASP 7 Ca 0.77 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.75 3kl4 h ASP 7 Cb 1.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.42 3kl4 h ASP 7 CO -0.75 0.17 0.18 0.00 -1.72 0.00 0.00 179.24 177.12 3kl4 h ALA 8 N 0.98 1.15 0.05 3.45 0.00 0.28 0.40 119.26 125.57 3kl4 h ALA 8 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 3kl4 h ALA 8 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3kl4 h ALA 8 CO -0.01 -0.15 -2.25 0.28 0.00 0.00 0.00 179.25 177.13 3kl4 n VAL 9 N -2.50 1.62 0.30 0.00 0.31 0.47 -3.06 118.33 115.47 3kl4 n VAL 9 Ca -0.02 -0.59 0.18 0.00 -0.01 0.00 0.00 64.34 63.90 3kl4 n VAL 9 Cb 0.22 -1.58 0.86 0.00 -0.91 0.00 0.00 33.84 32.42 3kl4 n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kl4 h ARG 10 N -0.02 0.00 0.00 5.55 9.65 0.50 0.15 114.38 130.21 3kl4 h ARG 10 Ca -0.51 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.34 3kl4 h ARG 10 Cb 1.94 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.51 3kl4 h ARG 10 CO -0.02 0.00 -0.46 0.87 2.80 0.00 0.00 179.97 183.16 3kl4 h LYS 11 N 0.00 0.00 0.00 0.20 1.57 -0.67 -3.31 116.57 114.36 3kl4 h LYS 11 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kl4 h LYS 11 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kl4 h LYS 11 CO 0.00 0.19 0.36 0.35 -0.57 0.00 0.00 179.45 179.78 3kl4 h PHE 12 N -1.00 0.00 -0.59 -1.35 3.57 -1.42 0.29 116.94 116.44 3kl4 h PHE 12 Ca -0.05 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.25 3kl4 h PHE 12 Cb 0.52 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.13 3kl4 h PHE 12 CO -0.09 0.00 0.19 1.28 -2.23 0.00 0.00 178.31 177.45 3kl4 n LEU 13 N -2.57 5.29 -2.56 0.59 4.77 0.50 -4.41 117.00 118.61 3kl4 n LEU 13 Ca -0.01 -3.37 -0.09 0.00 -0.03 0.00 0.00 56.01 52.51 3kl4 n LEU 13 Cb 0.39 -0.69 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3kl4 n LEU 13 CO 0.10 0.92 0.05 0.41 -1.33 0.00 0.00 177.39 177.54 3kl4 n THR 14 N -0.59 1.70 -4.02 -5.08 -1.04 0.10 -4.99 114.28 100.36 3kl4 n THR 14 Ca 0.38 -3.38 -0.33 0.00 -2.04 0.00 0.00 64.05 58.67 3kl4 n THR 14 Cb 1.25 0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 70.18 3kl4 n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kl4 n GLY 15 N -0.62 -0.42 0.07 3.41 0.00 -1.26 -4.83 105.19 101.53 3kl4 n GLY 15 Ca 0.20 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 3kl4 n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kl4 h SER 16 N -1.50 -0.04 -1.16 1.61 4.64 -1.86 -3.48 113.55 111.76 3kl4 h SER 16 Ca -0.57 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 3kl4 h SER 16 Cb 1.16 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3kl4 h SER 16 CO 0.50 0.29 0.00 0.35 -0.87 0.00 0.00 176.83 177.10 3kl4 n THR 17 N -4.96 0.00 -1.64 2.95 -2.24 -1.26 -5.15 114.28 101.99 3kl4 n THR 17 Ca -0.08 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 3kl4 n THR 17 Cb 0.18 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.47 3kl4 n THR 17 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kl4 n PRO 18 N 0.00 0.91 -0.02 -0.78 -0.02 -1.26 -4.84 135.00 128.98 3kl4 n PRO 18 Ca 0.00 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 3kl4 n PRO 18 Cb 0.00 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.13 3kl4 n PRO 18 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3kl4 h TYR 19 N 0.42 -1.53 -0.11 6.00 3.20 -2.01 -2.16 116.97 120.78 3kl4 h TYR 19 Ca -0.49 0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.29 3kl4 h TYR 19 Cb 1.36 0.69 -0.01 0.00 1.54 0.00 0.00 36.73 40.31 3kl4 h TYR 19 CO 0.38 -0.51 -0.59 0.93 -1.64 0.00 0.00 178.16 176.73 3kl4 h GLU 20 N -0.53 0.34 0.00 1.82 5.08 -2.00 -1.68 114.58 117.62 3kl4 h GLU 20 Ca 0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3kl4 h GLU 20 Cb 0.63 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3kl4 h GLU 20 CO -0.43 0.83 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3kl4 n LYS 21 N -3.90 0.28 -0.12 2.33 5.02 -1.15 -2.86 118.16 117.75 3kl4 n LYS 21 Ca -0.03 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.15 3kl4 n LYS 21 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 3kl4 n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl4 n ALA 22 N -1.28 1.44 -0.25 7.82 0.00 -0.82 -4.16 120.51 123.25 3kl4 n ALA 22 Ca 0.09 -1.00 0.03 0.00 0.00 0.00 0.00 53.44 52.56 3kl4 n ALA 22 Cb 0.15 0.06 0.13 0.00 0.00 0.00 0.00 19.45 19.79 3kl4 n ALA 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kl4 h VAL 23 N -0.44 0.31 -0.49 0.00 2.07 -1.16 -1.56 116.25 114.97 3kl4 h VAL 23 Ca -0.58 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3kl4 h VAL 23 Cb 1.69 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3kl4 h VAL 23 CO -0.23 0.01 0.24 0.44 0.02 0.00 0.00 177.57 178.05 3kl4 h ASP 24 N 0.05 0.64 -0.58 0.57 3.32 -1.75 -1.89 116.42 116.79 3kl4 h ASP 24 Ca 0.39 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.38 3kl4 h ASP 24 Cb 0.65 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3kl4 h ASP 24 CO -0.70 0.59 0.39 -0.08 -1.72 0.00 0.00 179.24 177.71 3kl4 h GLU 25 N 0.65 0.47 0.86 3.56 4.81 -1.46 0.19 114.58 123.66 3kl4 h GLU 25 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3kl4 h GLU 25 Cb 0.11 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.40 3kl4 h GLU 25 CO -0.02 0.31 -0.41 0.35 -0.73 0.00 0.00 179.01 178.51 3kl4 h PHE 26 N 0.49 -1.07 -0.95 0.92 3.57 -0.89 -0.20 116.94 118.81 3kl4 h PHE 26 Ca 0.26 -0.03 0.27 0.00 3.53 0.00 0.00 57.97 62.00 3kl4 h PHE 26 Cb 0.38 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 3kl4 h PHE 26 CO -0.00 -0.67 0.67 0.82 -2.23 0.00 0.00 178.31 176.90 3kl4 h ILE 27 N -1.30 0.54 0.56 1.41 1.08 -0.54 0.56 117.51 119.81 3kl4 h ILE 27 Ca -0.12 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 3kl4 h ILE 27 Cb 0.89 0.45 0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3kl4 h ILE 27 CO 0.19 0.02 -0.27 0.11 -0.69 0.00 0.00 178.15 177.51 3kl4 h LYS 28 N 0.08 -0.72 -0.05 2.37 1.79 -0.30 -2.73 116.57 117.01 3kl4 h LYS 28 Ca 0.46 0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.97 3kl4 h LYS 28 Cb 1.70 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 32.52 3kl4 h LYS 28 CO -0.05 -0.43 -0.02 -0.44 -1.08 0.00 0.00 179.45 177.44 3kl4 h ASP 29 N -1.10 0.06 0.36 0.86 3.32 0.10 0.05 116.42 120.08 3kl4 h ASP 29 Ca -0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3kl4 h ASP 29 Cb 0.63 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3kl4 h ASP 29 CO 0.13 0.10 -0.17 0.25 -1.72 0.00 0.00 179.24 177.82 3kl4 h LEU 30 N 0.07 -0.41 -0.84 1.55 5.85 -0.07 -0.28 115.31 121.18 3kl4 h LEU 30 Ca 0.02 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.74 3kl4 h LEU 30 Cb 0.08 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 3kl4 h LEU 30 CO 0.00 0.04 0.44 1.56 -0.34 0.00 0.00 178.44 180.14 3kl4 h GLN 31 N -0.99 0.65 -0.14 1.25 4.20 -1.32 0.61 115.11 119.37 3kl4 h GLN 31 Ca -0.05 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.65 3kl4 h GLN 31 Cb 0.51 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3kl4 h GLN 31 CO 0.08 0.43 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.43 3kl4 h LYS 32 N 0.67 0.02 0.01 1.46 3.64 -0.87 -1.25 116.57 120.25 3kl4 h LYS 32 Ca 0.44 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3kl4 h LYS 32 Cb 0.57 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3kl4 h LYS 32 CO -0.33 0.01 -0.00 0.77 -2.27 0.00 0.00 179.45 177.63 3kl4 h SER 33 N 0.02 -0.01 0.16 4.20 0.02 0.32 0.18 113.55 118.44 3kl4 h SER 33 Ca 0.07 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3kl4 h SER 33 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3kl4 h SER 33 CO -0.13 0.25 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.47 3kl4 h LEU 34 N -0.27 -0.76 -0.99 5.07 3.38 0.30 0.36 115.31 122.41 3kl4 h LEU 34 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kl4 h LEU 34 Cb 0.27 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3kl4 h LEU 34 CO 0.00 -0.37 0.51 0.40 0.09 0.00 0.00 178.44 179.07 3kl4 h ILE 35 N -0.51 1.25 0.00 1.22 2.04 -1.26 0.32 117.51 120.56 3kl4 h ILE 35 Ca 0.02 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3kl4 h ILE 35 Cb 0.51 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3kl4 h ILE 35 CO -0.13 0.27 0.00 -1.54 0.00 0.00 0.00 178.15 176.75 3kl4 n SER 36 N -4.35 0.00 -0.80 1.72 3.41 0.63 -1.30 113.62 112.93 3kl4 n SER 36 Ca 0.10 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.96 3kl4 n SER 36 Cb 0.08 -0.33 0.11 0.00 -0.26 0.00 0.00 64.21 63.81 3kl4 n SER 36 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kl4 n SER 37 N -1.33 2.73 -0.28 4.04 2.88 0.11 -4.73 113.62 117.04 3kl4 n SER 37 Ca 0.06 -1.82 -0.03 0.00 -1.33 0.00 0.00 58.87 55.75 3kl4 n SER 37 Cb 0.12 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3kl4 n SER 37 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3kl4 n ASP 38 N 1.08 -2.77 -4.79 -3.46 2.03 -0.42 -2.67 116.55 105.56 3kl4 n ASP 38 Ca 0.12 0.05 -0.36 0.00 0.52 0.00 0.00 54.79 55.12 3kl4 n ASP 38 Cb 0.48 -1.14 -0.05 0.00 -0.72 0.00 0.00 41.12 39.69 3kl4 n ASP 38 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kl4 s VAL 39 N -2.13 3.96 0.36 5.18 1.01 -0.94 -3.55 120.40 124.29 3kl4 s VAL 39 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 3kl4 s VAL 39 Cb 0.00 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3kl4 s VAL 39 CO 0.00 0.00 1.52 -3.20 0.00 0.00 0.00 175.10 173.43 3kl4 n ASN 40 N 0.04 3.85 -0.20 3.32 2.85 -1.26 -4.54 115.26 119.32 3kl4 n ASN 40 Ca 0.04 1.21 -0.09 0.00 -0.11 0.00 0.00 54.58 55.63 3kl4 n ASN 40 Cb 0.50 -1.62 0.02 0.00 1.24 0.00 0.00 39.78 39.92 3kl4 n ASN 40 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3kl4 h VAL 41 N 3.06 1.26 -0.44 3.44 -1.51 -1.96 -2.25 116.25 117.85 3kl4 h VAL 41 Ca -0.50 -1.07 0.06 0.00 -1.23 0.00 0.00 66.70 63.96 3kl4 h VAL 41 Cb 1.24 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 3kl4 h VAL 41 CO 0.68 0.39 0.30 0.07 -1.23 0.00 0.00 177.57 177.77 3kl4 h LYS 42 N 0.85 0.34 -0.24 5.19 2.10 -2.00 -1.72 116.57 121.10 3kl4 h LYS 42 Ca 0.16 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.73 3kl4 h LYS 42 Cb 0.50 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 3kl4 h LYS 42 CO 0.02 0.22 -0.10 -0.07 -2.00 0.00 0.00 179.45 177.53 3kl4 h LEU 43 N 0.35 0.50 0.25 7.07 3.38 -1.79 -2.24 115.31 122.83 3kl4 h LEU 43 Ca 0.19 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kl4 h LEU 43 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kl4 h LEU 43 CO -0.04 0.79 -0.27 0.58 0.09 0.00 0.00 178.44 179.58 3kl4 h VAL 44 N 0.21 0.41 0.00 1.22 2.07 -0.90 0.36 116.25 119.63 3kl4 h VAL 44 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3kl4 h VAL 44 Cb 0.59 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kl4 h VAL 44 CO 0.03 0.00 -0.17 -0.26 0.02 0.00 0.00 177.57 177.20 3kl4 h PHE 45 N -0.57 0.00 0.64 1.57 0.04 -1.55 -0.05 116.94 117.03 3kl4 h PHE 45 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3kl4 h PHE 45 Cb 0.53 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.69 3kl4 h PHE 45 CO -0.19 0.17 -0.31 1.03 -0.60 0.00 0.00 178.31 178.41 3kl4 h SER 46 N 0.00 -0.73 0.07 2.17 0.87 -0.64 -1.92 113.55 113.37 3kl4 h SER 46 Ca -0.00 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3kl4 h SER 46 Cb 0.42 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 3kl4 h SER 46 CO 0.02 -0.45 -0.44 0.25 -0.53 0.00 0.00 176.83 175.68 3kl4 h LEU 47 N -0.99 -1.33 -2.00 2.23 5.85 0.65 0.38 115.31 120.10 3kl4 h LEU 47 Ca -0.09 0.15 0.19 0.00 0.84 0.00 0.00 57.88 58.97 3kl4 h LEU 47 Cb 0.70 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3kl4 h LEU 47 CO 0.15 -0.49 0.48 0.71 -0.34 0.00 0.00 178.44 178.94 3kl4 h THR 48 N -0.64 0.62 0.88 1.05 1.35 -1.08 -0.74 112.91 114.34 3kl4 h THR 48 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.84 3kl4 h THR 48 Cb 0.69 0.66 0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3kl4 h THR 48 CO -0.28 0.00 -0.42 0.00 -0.25 0.00 0.00 175.52 174.56 3kl4 h ALA 49 N 1.64 -1.31 0.00 6.62 0.00 0.57 0.22 119.26 127.00 3kl4 h ALA 49 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kl4 h ALA 49 Cb 1.26 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3kl4 h ALA 49 CO -0.00 -1.23 0.00 1.17 0.00 0.00 0.00 179.25 179.19 3kl4 n LYS 50 N -5.18 0.02 -0.02 0.00 3.00 -0.61 -0.99 118.16 114.39 3kl4 n LYS 50 Ca -0.15 0.36 -0.13 0.00 -0.00 0.00 0.00 58.31 58.39 3kl4 n LYS 50 Cb 0.46 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.85 3kl4 n LYS 50 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3kl4 n ILE 51 N -1.43 1.67 0.18 3.15 5.41 -0.39 -3.39 119.36 124.56 3kl4 n ILE 51 Ca 0.02 -0.75 0.08 0.00 1.00 0.00 0.00 62.75 63.10 3kl4 n ILE 51 Cb 0.05 -1.28 0.10 0.00 -0.71 0.00 0.00 39.64 37.81 3kl4 n ILE 51 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3kl4 h LYS 52 N 0.03 0.00 -0.39 0.38 1.57 0.80 -2.30 116.57 116.66 3kl4 h LYS 52 Ca -0.35 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.29 3kl4 h LYS 52 Cb 2.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 3kl4 h LYS 52 CO 0.08 0.18 -0.32 0.93 -0.57 0.00 0.00 179.45 179.76 3kl4 h GLU 53 N 0.00 0.91 -0.07 3.15 5.08 -1.45 -2.75 114.58 119.44 3kl4 h GLU 53 Ca -0.01 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 3kl4 h GLU 53 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kl4 h GLU 53 CO 0.02 1.10 -0.19 0.00 -1.00 0.00 0.00 179.01 178.95 3kl4 h ARG 54 N 0.72 0.24 -0.04 2.33 3.08 -1.56 -1.93 114.38 117.22 3kl4 h ARG 54 Ca 0.07 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3kl4 h ARG 54 Cb 0.90 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 3kl4 h ARG 54 CO 0.08 0.79 0.41 1.25 -1.07 0.00 0.00 179.97 181.43 3kl4 h LEU 55 N -0.26 0.00 0.00 3.04 6.46 -1.41 -1.67 115.31 121.47 3kl4 h LEU 55 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3kl4 h LEU 55 Cb 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3kl4 h LEU 55 CO 0.04 0.00 -0.03 0.78 -0.62 0.00 0.00 178.44 178.61 3kl4 h ASN 56 N 0.00 0.00 0.00 1.25 4.21 -1.13 -3.44 115.58 116.48 3kl4 h ASN 56 Ca 0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 3kl4 h ASN 56 Cb 0.84 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 3kl4 h ASN 56 CO -0.00 0.09 -0.00 0.11 -1.29 0.00 0.00 177.43 176.34 3kl4 h LYS 57 N -0.16 -0.00 -6.44 0.81 1.57 -1.17 -3.45 116.57 107.73 3kl4 h LYS 57 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3kl4 h LYS 57 Cb 0.03 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.40 3kl4 h LYS 57 CO 0.00 0.75 0.69 0.39 -0.57 0.00 0.00 179.45 180.71 3kl4 n GLU 58 N -4.73 1.85 -3.78 3.15 -0.58 -0.65 -4.94 120.64 110.97 3kl4 n GLU 58 Ca -0.09 0.67 -0.35 0.00 -0.42 0.00 0.00 57.16 56.97 3kl4 n GLU 58 Cb 0.37 -2.39 -0.09 0.00 -0.57 0.00 0.00 31.44 28.76 3kl4 n GLU 58 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kl4 s LYS 59 N 0.72 4.12 0.12 3.49 -0.14 -1.26 -4.77 119.74 122.02 3kl4 s LYS 59 Ca 0.80 -0.26 -0.34 0.00 -1.36 0.00 0.00 55.97 54.81 3kl4 s LYS 59 Cb -0.76 -3.39 -0.13 0.00 -1.68 0.00 0.00 37.83 31.87 3kl4 s LYS 59 CO 0.41 0.25 1.63 -2.30 -0.76 0.00 0.00 175.35 174.58 3kl4 n PRO 60 N 3.66 2.19 -1.88 -1.68 -0.02 -1.26 -5.00 135.00 131.00 3kl4 n PRO 60 Ca -0.16 0.79 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3kl4 n PRO 60 Cb 0.52 -2.58 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3kl4 n PRO 60 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kl4 s PRO 61 N 1.43 3.43 0.99 0.52 0.02 -1.26 -5.00 135.00 135.12 3kl4 s PRO 61 Ca 0.81 0.67 -0.12 0.00 0.02 0.00 0.00 61.00 62.38 3kl4 s PRO 61 Cb -0.67 -2.07 0.11 0.00 0.02 0.00 0.00 34.50 31.89 3kl4 s PRO 61 CO 0.40 -0.67 0.68 0.43 -0.33 0.00 0.00 177.00 177.50 3kl4 n SER 62 N -2.80 -1.27 -1.11 2.53 7.64 -1.26 -2.03 113.62 115.32 3kl4 n SER 62 Ca 0.06 0.25 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 3kl4 n SER 62 Cb 0.55 -1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 3kl4 n SER 62 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3kl4 n VAL 63 N -4.08 0.00 -4.02 0.44 3.14 -1.26 -4.91 118.33 107.64 3kl4 n VAL 63 Ca 0.07 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.14 3kl4 n VAL 63 Cb 0.54 -1.12 -0.15 0.00 -1.06 0.00 0.00 33.84 32.05 3kl4 n VAL 63 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3kl4 s LEU 64 N -3.00 4.62 0.50 6.55 1.43 -0.86 -4.97 118.68 122.95 3kl4 s LEU 64 Ca 0.00 -2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 50.78 3kl4 s LEU 64 Cb 0.00 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 3kl4 s LEU 64 CO 0.00 -0.36 1.39 -0.70 0.23 0.00 0.00 176.35 176.90 3kl4 s GLU 65 N 0.93 3.39 0.29 1.70 2.56 -1.26 -4.65 118.70 121.65 3kl4 s GLU 65 Ca 0.09 2.31 0.14 0.00 0.00 0.00 0.00 54.97 57.51 3kl4 s GLU 65 Cb -0.19 -2.44 0.99 0.00 2.00 0.00 0.00 34.13 34.49 3kl4 s GLU 65 CO -0.08 -1.02 1.28 0.54 -0.56 0.00 0.00 175.26 175.42 3kl4 n ARG 66 N -0.65 -0.05 0.06 4.30 1.74 -1.26 -1.25 116.66 119.55 3kl4 n ARG 66 Ca 0.08 1.14 -0.22 0.00 -0.77 0.00 0.00 57.85 58.08 3kl4 n ARG 66 Cb 0.44 -1.99 -0.15 0.00 -1.02 0.00 0.00 32.46 29.74 3kl4 n ARG 66 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3kl4 h LYS 67 N 0.00 0.35 -0.48 5.56 2.10 -1.96 -3.21 116.57 118.93 3kl4 h LYS 67 Ca 0.65 -0.61 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kl4 h LYS 67 Cb 1.65 0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 33.18 3kl4 h LYS 67 CO -0.65 1.29 0.29 0.93 -2.00 0.00 0.00 179.45 179.31 3kl4 h GLU 68 N -0.08 0.65 -0.80 0.07 5.08 -1.52 0.20 114.58 118.18 3kl4 h GLU 68 Ca -0.30 -0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3kl4 h GLU 68 Cb 1.94 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 31.00 3kl4 h GLU 68 CO 0.15 0.47 0.53 2.35 -1.00 0.00 0.00 179.01 181.50 3kl4 h TRP 69 N 0.64 0.65 0.55 4.33 2.91 -1.45 -1.45 115.95 122.13 3kl4 h TRP 69 Ca 0.17 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.19 3kl4 h TRP 69 Cb -0.02 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.41 3kl4 h TRP 69 CO -0.03 0.26 -0.50 0.35 -1.03 0.00 0.00 178.44 177.49 3kl4 h PHE 70 N 0.56 -1.36 -0.99 2.65 3.57 -0.65 -2.25 116.94 118.46 3kl4 h PHE 70 Ca 0.39 0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.03 3kl4 h PHE 70 Cb 0.73 0.52 -0.09 0.00 2.79 0.00 0.00 35.95 39.90 3kl4 h PHE 70 CO -0.00 -0.67 0.61 0.82 -2.23 0.00 0.00 178.31 176.84 3kl4 h ILE 71 N -1.03 0.87 -1.14 1.41 1.08 -0.47 0.33 117.51 118.55 3kl4 h ILE 71 Ca -0.07 -0.32 0.32 0.00 -0.39 0.00 0.00 64.86 64.40 3kl4 h ILE 71 Cb 0.88 -0.14 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 3kl4 h ILE 71 CO -0.03 0.17 0.79 -1.28 -0.69 0.00 0.00 178.15 177.11 3kl4 h SER 72 N 0.93 0.16 0.19 1.72 0.87 -0.68 0.52 113.55 117.25 3kl4 h SER 72 Ca 0.51 0.04 -0.28 0.00 -1.23 0.00 0.00 61.79 60.83 3kl4 h SER 72 Cb 0.58 0.01 0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3kl4 h SER 72 CO -0.29 0.02 -1.26 0.40 -0.53 0.00 0.00 176.83 175.17 3kl4 h ILE 73 N 0.14 1.31 0.00 2.23 1.08 -0.20 -2.18 117.51 119.88 3kl4 h ILE 73 Ca 0.59 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.47 3kl4 h ILE 73 Cb 2.03 3.05 0.00 0.00 -3.07 0.00 0.00 36.82 38.82 3kl4 h ILE 73 CO -0.13 0.77 0.00 0.52 -0.69 0.00 0.00 178.15 178.62 3kl4 n VAL 74 N -3.88 0.00 -0.40 1.67 0.31 0.99 -0.47 118.33 116.54 3kl4 n VAL 74 Ca -0.17 1.42 -0.08 0.00 -0.01 0.00 0.00 64.34 65.49 3kl4 n VAL 74 Cb 0.98 -2.30 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 3kl4 n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kl4 n TYR 75 N -1.95 -0.32 -0.25 3.52 9.36 0.14 0.41 117.16 128.07 3kl4 n TYR 75 Ca 0.00 1.22 -0.12 0.00 3.32 0.00 0.00 57.90 62.32 3kl4 n TYR 75 Cb 0.00 -0.65 -0.09 0.00 -0.63 0.00 0.00 39.34 37.98 3kl4 n TYR 75 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 3kl4 h ASP 76 N 0.00 -1.90 0.19 2.98 1.82 -1.24 0.23 116.42 118.50 3kl4 h ASP 76 Ca 0.20 0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 57.12 3kl4 h ASP 76 Cb 0.45 0.82 -0.01 0.00 0.68 0.00 0.00 39.33 41.27 3kl4 h ASP 76 CO -0.93 -0.33 -0.14 -0.33 -1.61 0.00 0.00 179.24 175.89 3kl4 h GLU 77 N -0.23 -0.32 -0.19 0.28 4.39 0.27 0.09 114.58 118.87 3kl4 h GLU 77 Ca 0.13 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.90 3kl4 h GLU 77 Cb 0.53 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3kl4 h GLU 77 CO -0.74 -0.21 0.17 -0.07 -1.16 0.00 0.00 179.01 177.00 3kl4 h LEU 78 N -0.33 0.00 -0.34 1.33 3.38 -0.57 -0.43 115.31 118.35 3kl4 h LEU 78 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 3kl4 h LEU 78 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kl4 h LEU 78 CO -0.00 0.00 -0.71 -1.28 0.09 0.00 0.00 178.44 176.54 3kl4 h SER 79 N 0.00 0.67 -0.28 -0.43 0.87 0.87 -2.59 113.55 112.66 3kl4 h SER 79 Ca 0.09 -0.42 -0.12 0.00 -1.23 0.00 0.00 61.79 60.11 3kl4 h SER 79 Cb 0.42 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3kl4 h SER 79 CO -0.00 1.18 -0.24 0.11 -0.53 0.00 0.00 176.83 177.35 3kl4 h LYS 80 N 0.40 0.77 0.33 2.24 1.57 0.63 -1.74 116.57 120.77 3kl4 h LYS 80 Ca -0.03 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3kl4 h LYS 80 Cb 1.30 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3kl4 h LYS 80 CO 0.13 0.93 -0.32 1.25 -0.57 0.00 0.00 179.45 180.88 3kl4 h LEU 81 N 0.67 -0.87 0.00 2.94 5.85 -1.28 -3.08 115.31 119.54 3kl4 h LEU 81 Ca 0.09 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3kl4 h LEU 81 Cb 0.76 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3kl4 h LEU 81 CO 0.06 -0.46 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.08 3kl4 h PHE 82 N -0.67 0.00 0.00 1.25 0.04 -1.48 -3.43 116.94 112.64 3kl4 h PHE 82 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3kl4 h PHE 82 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3kl4 h PHE 82 CO -0.19 0.25 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 3kl4 n GLY 83 N 1.18 2.09 0.00 -1.45 0.00 -0.67 -4.86 105.19 101.48 3kl4 n GLY 83 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3kl4 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl4 n GLY 84 N 0.00 0.17 0.00 -0.02 0.00 -1.09 -4.74 105.19 99.52 3kl4 n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kl4 n GLY 84 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kl4 n ASP 85 N 0.00 0.00 -4.93 1.61 5.68 -1.26 -4.99 116.55 112.67 3kl4 n ASP 85 Ca 0.00 -0.30 -0.25 0.00 -0.50 0.00 0.00 54.79 53.74 3kl4 n ASP 85 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kl4 n ASP 85 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3kl4 s LYS 86 N 0.11 3.41 -0.22 0.11 3.01 -1.26 -4.62 119.74 120.28 3kl4 s LYS 86 Ca 0.00 -0.13 -0.42 0.00 -1.01 0.00 0.00 55.97 54.41 3kl4 s LYS 86 Cb 0.00 -2.51 -0.18 0.00 -1.01 0.00 0.00 37.83 34.13 3kl4 s LYS 86 CO 0.00 -0.10 1.50 -0.85 0.51 0.00 0.00 175.35 176.40 3kl4 n GLU 87 N -2.06 0.58 -0.63 1.68 0.00 -1.26 -4.91 120.64 114.03 3kl4 n GLU 87 Ca -0.01 0.21 -0.31 0.00 0.00 0.00 0.00 57.16 57.05 3kl4 n GLU 87 Cb 0.56 -1.80 0.19 0.00 0.00 0.00 0.00 31.44 30.39 3kl4 n GLU 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3kl4 n PRO 88 N 3.68 -1.75 -3.02 3.44 -0.02 -1.26 -4.86 135.00 131.21 3kl4 n PRO 88 Ca 0.25 -0.49 -0.44 0.00 -2.02 0.00 0.00 63.50 60.80 3kl4 n PRO 88 Cb 0.07 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3kl4 n PRO 88 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kl4 n ASN 89 N -2.42 5.61 0.00 2.55 5.15 -1.26 -4.74 115.26 120.15 3kl4 n ASN 89 Ca 0.01 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 3kl4 n ASN 89 Cb 0.60 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 3kl4 n ASN 89 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3kl4 n VAL 90 N 2.89 1.16 -2.79 3.44 0.31 -1.26 -4.54 118.33 117.54 3kl4 n VAL 90 Ca 0.30 0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 64.55 3kl4 n VAL 90 Cb 0.38 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 3kl4 n VAL 90 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kl4 s ASN 91 N -2.53 7.18 0.97 4.52 0.01 -1.26 -5.02 114.94 118.81 3kl4 s ASN 91 Ca 0.00 1.44 -0.12 0.00 -0.71 0.00 0.00 52.86 53.47 3kl4 s ASN 91 Cb 0.00 -2.52 0.10 0.00 0.41 0.00 0.00 41.25 39.24 3kl4 s ASN 91 CO 0.00 -0.33 0.67 -2.65 -1.51 0.00 0.00 177.10 173.28 3kl4 n PRO 92 N 4.54 -0.58 0.00 -0.60 -0.02 -1.26 -5.02 135.00 132.06 3kl4 n PRO 92 Ca 0.06 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3kl4 n PRO 92 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3kl4 n PRO 92 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3kl4 n THR 93 N -3.98 0.00 -2.53 3.45 -1.04 -1.26 -5.05 114.28 103.88 3kl4 n THR 93 Ca 0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 3kl4 n THR 93 Cb 0.54 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.45 3kl4 n THR 93 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3kl4 s LYS 94 N 0.00 3.88 -0.11 -2.82 2.20 -1.26 -5.00 119.74 116.63 3kl4 s LYS 94 Ca 0.00 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 3kl4 s LYS 94 Cb 0.00 -2.22 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 3kl4 s LYS 94 CO 0.00 -0.20 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.17 3kl4 s LEU 95 N -4.04 2.88 0.45 5.43 1.43 -1.26 -2.50 118.68 121.08 3kl4 s LEU 95 Ca 0.56 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 3kl4 s LEU 95 Cb -0.10 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3kl4 s LEU 95 CO 0.32 0.23 0.80 -2.84 0.23 0.00 0.00 176.35 175.09 3kl4 s PRO 96 N -0.05 3.67 -0.11 1.29 0.02 -1.26 -5.14 135.00 133.42 3kl4 s PRO 96 Ca -0.02 0.38 -0.14 0.00 0.02 0.00 0.00 61.00 61.25 3kl4 s PRO 96 Cb -0.14 -2.36 -0.05 0.00 0.02 0.00 0.00 34.50 31.98 3kl4 s PRO 96 CO 0.03 -0.15 0.34 0.12 -0.33 0.00 0.00 177.00 177.02 3kl4 s PHE 97 N -2.59 3.55 -0.08 6.54 5.36 -0.36 -4.94 117.98 125.46 3kl4 s PHE 97 Ca 0.50 0.75 0.04 0.00 -0.96 0.00 0.00 56.93 57.26 3kl4 s PHE 97 Cb -0.10 -2.33 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 3kl4 s PHE 97 CO 0.39 0.38 -0.23 0.42 -1.46 0.00 0.00 175.22 174.71 3kl4 s ILE 98 N -0.05 1.96 -0.10 3.12 1.09 -1.26 -1.07 121.20 124.89 3kl4 s ILE 98 Ca 0.20 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.80 3kl4 s ILE 98 Cb -0.14 -1.69 0.01 0.00 -1.06 0.00 0.00 42.46 39.58 3kl4 s ILE 98 CO 0.08 0.54 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.63 3kl4 s ILE 99 N 0.23 1.74 -0.11 2.92 1.01 0.28 0.02 121.20 127.29 3kl4 s ILE 99 Ca -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 3kl4 s ILE 99 Cb -0.16 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3kl4 s ILE 99 CO 0.07 0.49 0.04 -0.04 0.00 0.00 0.00 174.94 175.50 3kl4 s MET 100 N 0.60 3.21 -0.45 2.79 -1.94 0.47 0.17 119.30 124.14 3kl4 s MET 100 Ca -0.14 -0.34 -0.06 0.00 -1.71 0.00 0.00 55.69 53.44 3kl4 s MET 100 Cb -0.17 -2.93 0.12 0.00 2.01 0.00 0.00 34.83 33.86 3kl4 s MET 100 CO 0.04 0.66 0.28 -0.51 -0.01 0.00 0.00 175.02 175.49 3kl4 s LEU 101 N -0.75 5.48 -1.01 -0.03 1.43 0.73 -1.30 118.68 123.22 3kl4 s LEU 101 Ca 0.12 -2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.11 3kl4 s LEU 101 Cb -0.12 -1.92 0.26 0.00 0.03 0.00 0.00 46.19 44.44 3kl4 s LEU 101 CO 0.02 -0.61 1.00 0.68 0.23 0.00 0.00 176.35 177.67 3kl4 s VAL 102 N 1.20 5.85 -0.21 -1.59 -7.23 -1.07 -2.51 120.40 114.85 3kl4 s VAL 102 Ca 0.07 -3.08 -0.09 0.00 -1.81 0.00 0.00 61.98 57.07 3kl4 s VAL 102 Cb -0.24 -4.56 -0.05 0.00 0.56 0.00 0.00 36.38 32.09 3kl4 s VAL 102 CO -0.03 -1.14 0.12 -0.83 -0.31 0.00 0.00 175.10 172.91 3kl4 s GLY 103 N 1.64 1.98 0.32 2.32 0.00 -1.26 -3.54 107.32 108.79 3kl4 s GLY 103 Ca 0.26 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 3kl4 s GLY 103 CO -0.08 0.20 1.27 0.14 0.00 0.00 0.00 173.10 174.63 3kl4 s VAL 104 N 0.60 2.83 0.28 1.40 1.01 -1.26 -4.32 120.40 120.94 3kl4 s VAL 104 Ca 0.06 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 3kl4 s VAL 104 Cb -0.12 -3.53 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 3kl4 s VAL 104 CO 0.01 0.20 0.38 1.67 0.00 0.00 0.00 175.10 177.36 3kl4 n GLN 105 N 0.85 0.04 0.00 2.72 0.00 -1.25 -0.63 117.38 119.11 3kl4 n GLN 105 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 3kl4 n GLN 105 Cb 0.42 -1.03 0.00 0.00 0.00 0.00 0.00 30.24 29.63 3kl4 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kl4 n GLY 106 N 2.10 2.85 0.07 1.69 0.00 -1.26 -4.70 105.19 105.94 3kl4 n GLY 106 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3kl4 n GLY 106 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kl4 n SER 107 N 0.00 0.21 -1.21 1.61 2.88 0.20 -4.86 113.62 112.45 3kl4 n SER 107 Ca 0.00 -1.48 -0.13 0.00 -1.33 0.00 0.00 58.87 55.93 3kl4 n SER 107 Cb 0.00 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 3kl4 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kl4 n GLY 108 N 0.82 0.59 0.33 0.46 0.00 -1.26 -4.58 105.19 101.54 3kl4 n GLY 108 Ca 0.14 -0.40 0.23 0.00 0.00 0.00 0.00 46.02 45.99 3kl4 n GLY 108 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kl4 h LYS 109 N 0.00 0.16 0.00 1.61 3.64 -1.85 -1.53 116.57 118.60 3kl4 h LYS 109 Ca -0.28 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 3kl4 h LYS 109 Cb 1.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3kl4 h LYS 109 CO 0.37 0.11 -0.26 1.15 -2.27 0.00 0.00 179.45 178.54 3kl4 h THR 110 N 0.17 1.31 -0.92 1.00 2.02 -1.94 -3.01 112.91 111.53 3kl4 h THR 110 Ca 0.72 -2.08 0.15 0.00 0.77 0.00 0.00 66.41 65.97 3kl4 h THR 110 Cb 1.68 2.57 -0.08 0.00 -1.74 0.00 0.00 68.15 70.58 3kl4 h THR 110 CO -0.70 0.44 0.59 0.74 0.37 0.00 0.00 175.52 176.96 3kl4 h THR 111 N -1.00 0.81 0.02 3.16 2.02 -1.88 -0.25 112.91 115.79 3kl4 h THR 111 Ca -0.07 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kl4 h THR 111 Cb 0.90 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3kl4 h THR 111 CO -0.04 0.13 -0.01 0.74 0.37 0.00 0.00 175.52 176.71 3kl4 h THR 112 N 0.71 1.12 -0.98 3.16 2.02 -1.42 0.15 112.91 117.68 3kl4 h THR 112 Ca 0.47 -0.44 0.18 0.00 0.77 0.00 0.00 66.41 67.40 3kl4 h THR 112 Cb 0.76 1.42 -0.09 0.00 -1.74 0.00 0.00 68.15 68.49 3kl4 h THR 112 CO -0.23 0.11 0.61 0.00 0.37 0.00 0.00 175.52 176.38 3kl4 h ALA 113 N 0.77 1.79 0.27 6.16 0.00 -0.93 1.08 119.26 128.39 3kl4 h ALA 113 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kl4 h ALA 113 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kl4 h ALA 113 CO 0.00 -0.12 -0.13 0.78 0.00 0.00 0.00 179.25 179.78 3kl4 h GLY 114 N 0.71 -0.37 -1.42 0.00 0.00 -0.97 -1.92 103.07 99.09 3kl4 h GLY 114 Ca 0.54 0.14 0.49 0.00 0.00 0.00 0.00 47.33 48.50 3kl4 h GLY 114 CO -0.32 -0.14 1.01 0.50 0.00 0.00 0.00 176.54 177.60 3kl4 h LYS 115 N -0.49 0.03 0.05 4.80 1.57 0.35 0.14 116.57 123.01 3kl4 h LYS 115 Ca -0.04 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3kl4 h LYS 115 Cb 0.27 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.59 3kl4 h LYS 115 CO 0.06 0.02 -0.46 1.25 -0.57 0.00 0.00 179.45 179.75 3kl4 h LEU 116 N 0.03 0.32 -1.02 2.94 5.85 0.12 -2.32 115.31 121.22 3kl4 h LEU 116 Ca 0.87 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kl4 h LEU 116 Cb 2.99 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.92 3kl4 h LEU 116 CO -0.33 1.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 3kl4 h ALA 117 N 0.16 1.00 0.10 1.25 0.00 0.07 -0.43 119.26 121.41 3kl4 h ALA 117 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3kl4 h ALA 117 Cb 1.28 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.07 3kl4 h ALA 117 CO 0.09 0.00 -0.85 -0.92 0.00 0.00 0.00 179.25 177.56 3kl4 h TYR 118 N 0.00 0.37 -0.76 0.00 3.20 -1.32 -2.25 116.97 116.22 3kl4 h TYR 118 Ca 0.00 -0.27 0.07 0.00 3.14 0.00 0.00 58.73 61.67 3kl4 h TYR 118 Cb 0.40 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.56 3kl4 h TYR 118 CO 0.00 1.33 -0.47 0.35 -1.64 0.00 0.00 178.16 177.73 3kl4 h PHE 119 N -0.52 -1.50 -0.20 -3.82 3.57 -0.50 0.26 116.94 114.23 3kl4 h PHE 119 Ca -0.17 0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 3kl4 h PHE 119 Cb 1.53 0.76 -0.01 0.00 2.79 0.00 0.00 35.95 41.01 3kl4 h PHE 119 CO 0.19 -0.30 -0.12 1.88 -2.23 0.00 0.00 178.31 177.73 3kl4 h TYR 120 N -0.03 0.33 0.34 0.41 0.05 -1.52 -2.50 116.97 114.05 3kl4 h TYR 120 Ca 0.12 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3kl4 h TYR 120 Cb 0.34 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3kl4 h TYR 120 CO -0.98 0.43 -0.16 -0.22 -1.05 0.00 0.00 178.16 176.18 3kl4 h LYS 121 N 0.30 -0.44 -0.07 4.88 3.64 -0.60 -0.93 116.57 123.36 3kl4 h LYS 121 Ca 0.06 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kl4 h LYS 121 Cb 0.40 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3kl4 h LYS 121 CO 0.02 -0.13 0.25 -0.22 -2.27 0.00 0.00 179.45 177.10 3kl4 h LYS 122 N -0.75 0.00 -0.37 1.90 3.64 -0.43 0.47 116.57 121.03 3kl4 h LYS 122 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kl4 h LYS 122 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kl4 h LYS 122 CO 0.08 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.13 3kl4 n ARG 123 N -3.16 2.29 -0.27 1.90 0.63 -0.95 -4.96 116.66 112.15 3kl4 n ARG 123 Ca -0.01 -1.97 0.00 0.00 -0.92 0.00 0.00 57.85 54.96 3kl4 n ARG 123 Cb 0.33 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.76 3kl4 n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kl4 n GLY 124 N 1.40 1.29 3.86 5.14 0.00 0.16 -5.05 105.19 112.00 3kl4 n GLY 124 Ca 0.19 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3kl4 n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kl4 s TYR 125 N -2.00 1.82 -0.66 1.61 1.51 -0.37 -5.01 117.35 114.24 3kl4 s TYR 125 Ca 0.00 -0.82 -0.06 0.00 -1.01 0.00 0.00 57.07 55.18 3kl4 s TYR 125 Cb 0.00 -1.88 0.17 0.00 -0.11 0.00 0.00 41.96 40.14 3kl4 s TYR 125 CO 0.00 -0.27 0.51 0.15 -1.11 0.00 0.00 175.55 174.84 3kl4 s LYS 126 N -4.16 2.82 0.33 -0.62 1.02 -1.26 -4.54 119.74 113.32 3kl4 s LYS 126 Ca 0.30 -2.43 -0.21 0.00 0.02 0.00 0.00 55.97 53.66 3kl4 s LYS 126 Cb -0.01 -3.93 -0.10 0.00 -0.52 0.00 0.00 37.83 33.28 3kl4 s LYS 126 CO 0.18 -1.20 0.85 0.08 -0.92 0.00 0.00 175.35 174.34 3kl4 s VAL 127 N 0.15 4.43 -0.08 3.17 1.01 -1.26 -0.42 120.40 127.41 3kl4 s VAL 127 Ca 0.16 1.44 -0.03 0.00 0.00 0.00 0.00 61.98 63.55 3kl4 s VAL 127 Cb -0.18 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.45 3kl4 s VAL 127 CO -0.05 -0.03 0.08 -0.83 0.00 0.00 0.00 175.10 174.27 3kl4 s GLY 128 N -1.91 0.21 -0.28 4.51 0.00 -0.27 -4.55 107.32 105.03 3kl4 s GLY 128 Ca 0.53 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 45.19 3kl4 s GLY 128 CO 0.19 1.52 0.59 1.08 0.00 0.00 0.00 173.10 176.49 3kl4 s LEU 129 N 2.18 4.11 -0.39 0.66 1.43 -0.89 -0.17 118.68 125.62 3kl4 s LEU 129 Ca 0.04 0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 3kl4 s LEU 129 Cb -0.13 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.34 3kl4 s LEU 129 CO -0.05 -0.40 0.25 -0.69 0.23 0.00 0.00 176.35 175.68 3kl4 s VAL 130 N 2.50 4.87 -1.21 -1.59 1.01 -0.66 -1.57 120.40 123.75 3kl4 s VAL 130 Ca 0.24 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 3kl4 s VAL 130 Cb -0.15 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.57 3kl4 s VAL 130 CO 0.10 -0.26 1.67 0.00 0.00 0.00 0.00 175.10 176.61 3kl4 s ALA 131 N 1.61 3.05 -0.93 5.51 0.00 0.23 -2.62 121.76 128.61 3kl4 s ALA 131 Ca 0.03 -2.67 0.14 0.00 0.00 0.00 0.00 51.96 49.46 3kl4 s ALA 131 Cb -0.19 -4.62 0.64 0.00 0.00 0.00 0.00 23.12 18.96 3kl4 s ALA 131 CO 0.08 -3.50 1.52 0.00 0.00 0.00 0.00 175.76 173.86 3kl4 n ALA 132 N 8.90 3.24 -2.15 0.00 0.00 -1.10 -4.68 120.51 124.71 3kl4 n ALA 132 Ca 0.44 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.15 3kl4 n ALA 132 Cb 0.47 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 3kl4 n ALA 132 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kl4 s ASP 133 N -0.77 5.39 -0.06 0.00 -4.77 -1.03 -2.01 116.67 113.42 3kl4 s ASP 133 Ca 0.44 -1.24 -0.16 0.00 -3.30 0.00 0.00 52.55 48.29 3kl4 s ASP 133 Cb 0.30 -2.57 -0.30 0.00 -1.09 0.00 0.00 42.92 39.26 3kl4 s ASP 133 CO 0.18 -2.60 0.74 0.58 0.70 0.00 0.00 175.17 174.77 3kl4 h VAL 134 N 6.70 1.17 0.00 2.11 2.07 -1.88 -3.34 116.25 123.09 3kl4 h VAL 134 Ca 0.18 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3kl4 h VAL 134 Cb 0.97 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 3kl4 h VAL 134 CO 1.26 0.75 0.00 -1.22 0.02 0.00 0.00 177.57 178.38 3kl4 n TYR 135 N -3.88 0.00 -3.58 1.57 4.01 -1.26 -4.51 117.16 109.51 3kl4 n TYR 135 Ca -0.21 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.36 3kl4 n TYR 135 Cb 0.95 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.78 3kl4 n TYR 135 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3kl4 s ARG 136 N -2.12 0.14 0.07 -0.72 6.06 -1.25 -5.02 118.95 116.10 3kl4 s ARG 136 Ca 0.17 0.43 -0.07 0.00 -2.50 0.00 0.00 55.73 53.76 3kl4 s ARG 136 Cb 0.09 -0.67 -0.27 0.00 0.06 0.00 0.00 34.95 34.16 3kl4 s ARG 136 CO 0.15 -0.47 1.14 -1.00 -2.50 0.00 0.00 175.30 172.62 3kl4 h PRO 137 N 8.32 0.38 0.00 5.12 0.13 -1.82 -3.21 132.00 140.92 3kl4 h PRO 137 Ca -0.15 -0.58 -0.01 0.00 -0.87 0.00 0.00 66.00 64.39 3kl4 h PRO 137 Cb 1.13 0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 3kl4 h PRO 137 CO 0.21 1.26 -0.04 0.00 -0.23 0.00 0.00 178.00 179.20 3kl4 h ALA 138 N 0.50 1.52 -0.43 -0.56 0.00 -1.95 0.41 119.26 118.74 3kl4 h ALA 138 Ca -0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3kl4 h ALA 138 Cb 1.94 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 3kl4 h ALA 138 CO 0.21 0.04 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 3kl4 h ALA 139 N 1.96 0.96 0.64 0.00 0.00 -1.92 -2.41 119.26 118.50 3kl4 h ALA 139 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3kl4 h ALA 139 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kl4 h ALA 139 CO 0.00 0.61 -0.49 1.88 0.00 0.00 0.00 179.25 181.25 3kl4 h TYR 140 N 0.71 -1.34 0.00 0.00 0.05 -0.25 0.25 116.97 116.39 3kl4 h TYR 140 Ca 0.12 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3kl4 h TYR 140 Cb 0.62 0.50 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3kl4 h TYR 140 CO 0.03 -0.70 0.00 -3.47 -1.05 0.00 0.00 178.16 172.98 3kl4 n ASP 141 N -5.59 0.00 -0.34 3.88 2.03 -1.08 -1.75 116.55 113.69 3kl4 n ASP 141 Ca -0.13 0.94 0.30 0.00 0.52 0.00 0.00 54.79 56.41 3kl4 n ASP 141 Cb 0.48 -0.44 0.63 0.00 -0.72 0.00 0.00 41.12 41.07 3kl4 n ASP 141 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3kl4 h GLN 142 N 0.00 0.19 0.20 -0.67 5.75 -1.45 -1.67 115.11 117.46 3kl4 h GLN 142 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3kl4 h GLN 142 Cb 0.00 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.51 3kl4 h GLN 142 CO 0.00 0.12 -0.09 1.25 -2.65 0.00 0.00 178.83 177.46 3kl4 h LEU 143 N 0.19 -0.22 -2.55 -2.39 5.85 0.10 -2.65 115.31 113.65 3kl4 h LEU 143 Ca 0.62 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.35 3kl4 h LEU 143 Cb 1.98 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 3kl4 h LEU 143 CO -0.19 -0.13 0.13 -0.07 -0.34 0.00 0.00 178.44 177.84 3kl4 h LEU 144 N -0.33 0.00 0.47 2.25 3.38 -0.89 0.29 115.31 120.49 3kl4 h LEU 144 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kl4 h LEU 144 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kl4 h LEU 144 CO 0.04 0.00 -0.23 1.56 0.09 0.00 0.00 178.44 179.91 3kl4 h GLN 145 N 0.00 -0.61 0.00 1.13 4.20 -1.25 -0.93 115.11 117.64 3kl4 h GLN 145 Ca 0.01 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3kl4 h GLN 145 Cb 0.28 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3kl4 h GLN 145 CO -0.00 -0.41 -0.08 1.37 -0.67 0.00 0.00 178.83 179.04 3kl4 h LEU 146 N -0.79 0.00 0.25 1.46 8.10 -0.99 -2.22 115.31 121.11 3kl4 h LEU 146 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 3kl4 h LEU 146 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 3kl4 h LEU 146 CO 0.11 0.08 -0.12 1.23 -4.11 0.00 0.00 178.44 175.63 3kl4 h GLY 147 N 0.49 -0.35 1.83 0.17 0.00 -0.26 -2.73 103.07 102.22 3kl4 h GLY 147 Ca -0.00 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3kl4 h GLY 147 CO 0.01 -0.13 -0.26 3.43 0.00 0.00 0.00 176.54 179.60 3kl4 h ASN 148 N -0.39 0.20 0.06 0.19 2.35 -0.69 -1.52 115.58 115.78 3kl4 h ASN 148 Ca -0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3kl4 h ASN 148 Cb 0.29 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3kl4 h ASN 148 CO 0.06 0.47 0.00 1.67 -1.65 0.00 0.00 177.43 177.97 3kl4 n GLN 149 N -4.17 0.25 -0.21 0.81 7.27 -0.88 -2.57 117.38 117.88 3kl4 n GLN 149 Ca -0.01 0.06 0.01 0.00 0.07 0.00 0.00 57.00 57.13 3kl4 n GLN 149 Cb 0.36 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.52 3kl4 n GLN 149 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 3kl4 n ILE 150 N -1.09 0.29 -3.37 1.69 -5.35 -0.59 -5.04 119.36 105.91 3kl4 n ILE 150 Ca 0.06 -0.33 -0.18 0.00 -0.27 0.00 0.00 62.75 62.03 3kl4 n ILE 150 Cb 0.05 0.62 0.07 0.00 -1.74 0.00 0.00 39.64 38.63 3kl4 n ILE 150 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kl4 n GLY 151 N -0.20 -1.01 2.82 3.28 0.00 -1.06 -5.03 105.19 103.99 3kl4 n GLY 151 Ca 0.02 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 3kl4 n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl4 s VAL 152 N -3.41 -0.04 0.40 1.61 1.01 -1.16 -5.03 120.40 113.77 3kl4 s VAL 152 Ca 0.39 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 3kl4 s VAL 152 Cb -0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 36.38 36.13 3kl4 s VAL 152 CO 0.76 0.06 0.96 -1.10 0.00 0.00 0.00 175.10 175.78 3kl4 s GLN 153 N 0.72 4.30 -0.33 2.72 -0.21 -1.26 -4.39 119.66 121.21 3kl4 s GLN 153 Ca -0.06 1.23 -0.01 0.00 0.02 0.00 0.00 55.36 56.53 3kl4 s GLN 153 Cb -0.09 -2.39 0.12 0.00 1.00 0.00 0.00 33.01 31.66 3kl4 s GLN 153 CO -0.02 0.03 0.17 0.08 -2.12 0.00 0.00 175.29 173.42 3kl4 s VAL 154 N -1.96 0.25 0.55 1.09 1.01 -1.25 -2.09 120.40 118.01 3kl4 s VAL 154 Ca 0.58 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 3kl4 s VAL 154 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3kl4 s VAL 154 CO 0.18 -0.84 1.24 -0.47 0.00 0.00 0.00 175.10 175.20 3kl4 s TYR 155 N 1.47 2.48 0.00 5.22 5.04 -0.61 -4.75 117.35 126.19 3kl4 s TYR 155 Ca 0.14 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 3kl4 s TYR 155 Cb -0.20 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.56 3kl4 s TYR 155 CO -0.17 -2.24 0.00 0.41 -1.34 0.00 0.00 175.55 172.22 3kl4 n GLY 156 N 0.56 2.55 2.75 8.97 0.00 -1.26 -0.60 105.19 118.16 3kl4 n GLY 156 Ca 0.11 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3kl4 n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kl4 s GLU 157 N -0.55 0.83 0.48 1.61 0.41 -1.26 -5.07 118.70 115.15 3kl4 s GLU 157 Ca 0.00 -1.24 -0.20 0.00 -0.41 0.00 0.00 54.97 53.12 3kl4 s GLU 157 Cb 0.00 -2.12 -0.12 0.00 -1.78 0.00 0.00 34.13 30.11 3kl4 s GLU 157 CO 0.00 -1.00 0.43 -2.30 -0.49 0.00 0.00 175.26 171.89 3kl4 n PRO 158 N 4.66 0.45 -1.74 0.39 -0.02 -1.26 -3.21 135.00 134.27 3kl4 n PRO 158 Ca -0.00 0.17 -0.19 0.00 -2.02 0.00 0.00 63.50 61.46 3kl4 n PRO 158 Cb 0.41 -1.47 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 3kl4 n PRO 158 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kl4 n ASN 159 N 1.25 -5.29 0.20 2.55 3.02 -1.26 -4.85 115.26 110.88 3kl4 n ASN 159 Ca 0.11 0.35 0.14 0.00 -0.03 0.00 0.00 54.58 55.15 3kl4 n ASN 159 Cb 0.43 -4.41 0.51 0.00 -0.61 0.00 0.00 39.78 35.70 3kl4 n ASN 159 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3kl4 h ASN 160 N 0.00 0.00 0.00 6.41 -0.26 -1.96 -3.45 115.58 116.32 3kl4 h ASN 160 Ca -0.40 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 3kl4 h ASN 160 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 3kl4 h ASN 160 CO 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.92 3kl4 n GLN 161 N -2.72 -1.60 -3.49 0.81 3.00 -1.26 -4.81 117.38 107.31 3kl4 n GLN 161 Ca 0.02 0.23 -0.27 0.00 -0.01 0.00 0.00 57.00 56.97 3kl4 n GLN 161 Cb 0.34 -3.76 -0.13 0.00 0.00 0.00 0.00 30.24 26.68 3kl4 n GLN 161 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3kl4 s ASN 162 N -1.16 3.08 0.11 1.08 2.47 -1.26 -5.02 114.94 114.24 3kl4 s ASN 162 Ca 0.00 -1.54 -0.13 0.00 0.42 0.00 0.00 52.86 51.61 3kl4 s ASN 162 Cb 0.00 -0.24 -0.10 0.00 -1.45 0.00 0.00 41.25 39.46 3kl4 s ASN 162 CO 0.00 -0.39 1.39 1.55 -3.72 0.00 0.00 177.10 175.93 3kl4 h PRO 163 N 7.90 0.78 -1.15 0.43 0.13 -1.87 -3.16 132.00 135.07 3kl4 h PRO 163 Ca -0.10 -0.49 0.32 0.00 -0.87 0.00 0.00 66.00 64.87 3kl4 h PRO 163 Cb 1.01 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 3kl4 h PRO 163 CO 0.36 1.12 0.80 -0.84 -0.23 0.00 0.00 178.00 179.20 3kl4 h ILE 164 N 0.54 0.43 0.06 -3.56 3.07 -1.95 0.92 117.51 117.01 3kl4 h ILE 164 Ca 0.02 -0.05 -0.18 0.00 1.55 0.00 0.00 64.86 66.20 3kl4 h ILE 164 Cb 1.07 0.28 0.02 0.00 -0.27 0.00 0.00 36.82 37.91 3kl4 h ILE 164 CO 0.11 0.02 -0.76 -0.08 -1.05 0.00 0.00 178.15 176.39 3kl4 h GLU 165 N 0.14 0.41 -0.88 0.16 4.81 -2.00 -2.67 114.58 114.55 3kl4 h GLU 165 Ca 0.59 -0.52 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3kl4 h GLU 165 Cb 2.04 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 31.51 3kl4 h GLU 165 CO -0.13 1.19 0.53 0.82 -0.73 0.00 0.00 179.01 180.69 3kl4 h ILE 166 N -0.13 0.95 0.00 2.32 2.04 0.43 0.14 117.51 123.27 3kl4 h ILE 166 Ca -0.11 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3kl4 h ILE 166 Cb 1.50 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3kl4 h ILE 166 CO 0.15 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.46 3kl4 n ALA 167 N -2.37 -0.45 -0.33 1.87 0.00 0.25 0.57 120.51 120.06 3kl4 n ALA 167 Ca 0.15 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.81 3kl4 n ALA 167 Cb 0.26 0.02 0.49 0.00 0.00 0.00 0.00 19.45 20.23 3kl4 n ALA 167 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kl4 h LYS 168 N 0.00 0.41 0.07 0.00 1.57 -1.34 0.60 116.57 117.87 3kl4 h LYS 168 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kl4 h LYS 168 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kl4 h LYS 168 CO 0.00 0.27 -0.03 0.87 -0.57 0.00 0.00 179.45 179.99 3kl4 h LYS 169 N 0.42 -0.09 -0.26 3.15 1.57 -0.83 -2.57 116.57 117.95 3kl4 h LYS 169 Ca 0.60 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.25 3kl4 h LYS 169 Cb 1.47 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 3kl4 h LYS 169 CO -0.31 0.34 -0.38 0.78 -0.57 0.00 0.00 179.45 179.31 3kl4 h GLY 170 N -0.55 0.65 0.77 3.86 0.00 0.21 -2.46 103.07 105.54 3kl4 h GLY 170 Ca -0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 3kl4 h GLY 170 CO 0.02 0.57 -0.59 -0.24 0.00 0.00 0.00 176.54 176.30 3kl4 h VAL 171 N 0.50 1.43 0.00 4.60 3.04 0.01 -2.14 116.25 123.69 3kl4 h VAL 171 Ca 0.05 -2.08 -0.00 0.00 -1.01 0.00 0.00 66.70 63.65 3kl4 h VAL 171 Cb 0.88 2.61 -0.00 0.00 -2.01 0.00 0.00 31.29 32.77 3kl4 h VAL 171 CO 0.08 0.60 -0.02 0.44 -1.01 0.00 0.00 177.57 177.66 3kl4 h ASP 172 N -0.12 0.00 0.65 3.17 3.32 -1.50 -0.42 116.42 121.52 3kl4 h ASP 172 Ca -0.07 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 3kl4 h ASP 172 Cb 1.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 3kl4 h ASP 172 CO 0.12 0.02 -1.34 -0.29 -1.72 0.00 0.00 179.24 176.03 3kl4 h ILE 173 N 0.00 1.36 0.00 0.35 2.10 -1.38 -3.23 117.51 116.70 3kl4 h ILE 173 Ca -0.00 -3.03 0.00 0.00 1.08 0.00 0.00 64.86 62.91 3kl4 h ILE 173 Cb 0.07 2.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 3kl4 h ILE 173 CO 0.00 0.84 0.00 0.49 -1.08 0.00 0.00 178.15 178.40 3kl4 n PHE 174 N -3.39 0.00 1.07 2.19 3.72 -0.19 -0.56 117.46 120.30 3kl4 n PHE 174 Ca -0.10 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 3kl4 n PHE 174 Cb 1.01 -0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.66 3kl4 n PHE 174 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kl4 n VAL 175 N -0.47 0.00 0.20 -4.37 0.31 -1.10 -2.54 118.33 110.36 3kl4 n VAL 175 Ca 0.00 -0.34 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 3kl4 n VAL 175 Cb 0.01 1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 34.11 3kl4 n VAL 175 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kl4 h LYS 176 N 3.22 -0.54 0.00 5.55 3.64 -1.02 -2.98 116.57 124.44 3kl4 h LYS 176 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kl4 h LYS 176 Cb 0.81 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3kl4 h LYS 176 CO 0.00 -0.36 0.00 0.09 -2.27 0.00 0.00 179.45 176.91 3kl4 n ASN 177 N -4.69 0.00 -2.99 4.20 3.02 -1.26 -4.74 115.26 108.80 3kl4 n ASN 177 Ca -0.07 -0.94 -0.22 0.00 -0.03 0.00 0.00 54.58 53.33 3kl4 n ASN 177 Cb 0.22 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3kl4 n ASN 177 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kl4 n LYS 178 N -0.67 -3.97 -1.40 3.52 4.81 -1.13 -4.85 118.16 114.47 3kl4 n LYS 178 Ca 0.05 0.79 -0.44 0.00 -0.87 0.00 0.00 58.31 57.83 3kl4 n LYS 178 Cb 0.02 -5.57 -0.01 0.00 0.02 0.00 0.00 35.03 29.48 3kl4 n LYS 178 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3kl4 n MET 179 N -3.75 0.28 0.07 1.64 2.81 -1.05 -4.88 117.12 112.23 3kl4 n MET 179 Ca -0.11 0.10 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 3kl4 n MET 179 Cb 0.61 -1.21 -0.15 0.00 -0.71 0.00 0.00 33.22 31.76 3kl4 n MET 179 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kl4 h ASP 180 N 0.87 0.59 -4.36 7.83 3.45 -1.05 -3.43 116.42 120.31 3kl4 h ASP 180 Ca -0.35 -0.92 -0.57 0.00 0.43 0.00 0.00 57.03 55.63 3kl4 h ASP 180 Cb 1.42 -0.19 -0.29 0.00 -0.56 0.00 0.00 39.33 39.71 3kl4 h ASP 180 CO 0.53 1.68 -0.84 -0.63 -1.57 0.00 0.00 179.24 178.41 3kl4 s ILE 181 N -2.54 1.51 -0.18 0.35 1.01 -0.87 -1.22 121.20 119.26 3kl4 s ILE 181 Ca -0.15 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 3kl4 s ILE 181 Cb 0.04 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.29 3kl4 s ILE 181 CO 0.85 0.39 -0.05 -0.63 0.00 0.00 0.00 174.94 175.50 3kl4 s ILE 182 N -0.49 1.18 -0.61 2.92 1.01 -0.23 -1.12 121.20 123.86 3kl4 s ILE 182 Ca 0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 3kl4 s ILE 182 Cb -0.07 -1.38 0.09 0.00 0.01 0.00 0.00 42.46 41.11 3kl4 s ILE 182 CO -0.00 0.09 0.78 -0.63 0.00 0.00 0.00 174.94 175.17 3kl4 s ILE 183 N 1.59 4.69 -0.75 2.92 -1.09 0.77 -0.55 121.20 128.77 3kl4 s ILE 183 Ca -0.00 -0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 57.39 3kl4 s ILE 183 Cb -0.16 -4.54 0.11 0.00 -1.58 0.00 0.00 42.46 36.29 3kl4 s ILE 183 CO -0.08 -1.22 0.94 -0.69 -1.23 0.00 0.00 174.94 172.66 3kl4 s VAL 184 N 3.06 4.72 -0.86 2.92 1.01 0.44 -1.65 120.40 130.03 3kl4 s VAL 184 Ca 0.14 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 3kl4 s VAL 184 Cb -0.22 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.53 3kl4 s VAL 184 CO 0.07 -1.35 1.51 -0.62 0.00 0.00 0.00 175.10 174.71 3kl4 s ASP 185 N 3.53 6.04 0.31 3.32 2.15 -1.08 -0.19 116.67 130.75 3kl4 s ASP 185 Ca 0.23 -0.77 -0.28 0.00 0.43 0.00 0.00 52.55 52.16 3kl4 s ASP 185 Cb -0.14 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.83 3kl4 s ASP 185 CO 0.00 -1.90 1.03 0.42 -0.17 0.00 0.00 175.17 174.55 3kl4 s THR 186 N 6.47 3.77 0.30 1.71 -4.23 -1.04 -2.46 115.64 120.16 3kl4 s THR 186 Ca 0.48 1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 62.31 3kl4 s THR 186 Cb -0.05 -3.96 -0.12 0.00 1.34 0.00 0.00 72.50 69.70 3kl4 s THR 186 CO 0.04 0.26 1.37 0.00 -0.54 0.00 0.00 174.62 175.75 3kl4 n ALA 187 N 0.81 1.44 -3.69 3.99 0.00 -0.85 -4.58 120.51 117.63 3kl4 n ALA 187 Ca 0.01 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 3kl4 n ALA 187 Cb 0.47 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 3kl4 n ALA 187 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kl4 s GLY 188 N -0.01 1.60 0.29 0.00 0.00 -1.26 -4.92 107.32 103.02 3kl4 s GLY 188 Ca 0.60 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 44.01 3kl4 s GLY 188 CO 0.57 0.47 0.28 -2.13 0.00 0.00 0.00 173.10 172.29 3kl4 n ARG 189 N 4.70 0.98 -1.61 2.90 0.63 -1.26 -4.40 116.66 118.60 3kl4 n ARG 189 Ca -0.17 -1.74 -0.13 0.00 -0.92 0.00 0.00 57.85 54.89 3kl4 n ARG 189 Cb 0.48 0.08 -0.04 0.00 0.45 0.00 0.00 32.46 33.44 3kl4 n ARG 189 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3kl4 n HIS 190 N -1.34 -0.16 0.00 -0.14 8.25 -1.26 -4.55 115.22 116.02 3kl4 n HIS 190 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3kl4 n HIS 190 Cb 0.32 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 28.93 3kl4 n HIS 190 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kl4 n GLY 191 N -1.28 1.38 0.09 -1.41 0.00 -1.26 -1.69 105.19 101.01 3kl4 n GLY 191 Ca -0.14 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3kl4 n GLY 191 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kl4 h TYR 192 N 0.00 0.15 -0.19 1.61 0.05 -1.90 -3.34 116.97 113.34 3kl4 h TYR 192 Ca 0.00 -0.11 -0.70 0.00 0.05 0.00 0.00 58.73 57.97 3kl4 h TYR 192 Cb 0.00 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3kl4 h TYR 192 CO 0.00 1.18 3.31 0.41 -1.05 0.00 0.00 178.16 182.02 3kl4 n GLY 193 N 1.61 4.43 0.17 3.88 0.00 -0.68 -4.72 105.19 109.88 3kl4 n GLY 193 Ca -0.17 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3kl4 n GLY 193 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kl4 h GLU 194 N 5.45 0.51 0.00 1.61 -0.00 -1.71 -3.46 114.58 116.97 3kl4 h GLU 194 Ca 0.70 -0.22 0.00 0.00 -0.00 0.00 0.00 59.36 59.84 3kl4 h GLU 194 Cb 0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 3kl4 h GLU 194 CO 1.80 0.77 0.00 0.39 -0.00 0.00 0.00 179.01 181.97 3kl4 n GLU 195 N -4.49 0.00 -0.09 1.06 -0.58 -1.26 -1.86 120.64 113.42 3kl4 n GLU 195 Ca -0.04 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.75 3kl4 n GLU 195 Cb 0.34 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.31 3kl4 n GLU 195 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3kl4 n THR 196 N 0.00 1.44 0.35 2.62 -1.04 -1.26 -4.84 114.28 111.55 3kl4 n THR 196 Ca 0.00 -1.54 -0.18 0.00 -2.04 0.00 0.00 64.05 60.29 3kl4 n THR 196 Cb 0.00 0.16 -0.10 0.00 -1.82 0.00 0.00 70.33 68.58 3kl4 n THR 196 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3kl4 h LYS 197 N 0.39 -1.04 0.00 -2.82 1.63 -1.76 -3.01 116.57 109.96 3kl4 h LYS 197 Ca 0.00 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 3kl4 h LYS 197 Cb 0.79 0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 3kl4 h LYS 197 CO 0.02 -0.69 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.13 3kl4 h LEU 198 N -1.08 0.00 -1.17 5.20 3.38 -1.88 -2.24 115.31 117.52 3kl4 h LEU 198 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3kl4 h LEU 198 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3kl4 h LEU 198 CO 0.02 0.13 -0.04 -0.07 0.09 0.00 0.00 178.44 178.56 3kl4 h LEU 199 N 0.00 0.50 0.04 1.67 3.38 -1.88 -0.00 115.31 119.02 3kl4 h LEU 199 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kl4 h LEU 199 Cb 0.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kl4 h LEU 199 CO 0.02 0.60 -0.02 -0.08 0.09 0.00 0.00 178.44 179.05 3kl4 h GLU 200 N 0.50 -0.05 -0.19 1.13 4.57 -1.30 -0.64 114.58 118.60 3kl4 h GLU 200 Ca 0.10 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3kl4 h GLU 200 Cb 0.39 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kl4 h GLU 200 CO 0.02 0.54 0.27 1.49 -1.18 0.00 0.00 179.01 180.15 3kl4 h GLU 201 N -0.70 0.00 0.01 1.92 4.81 -1.28 -2.57 114.58 116.78 3kl4 h GLU 201 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kl4 h GLU 201 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3kl4 h GLU 201 CO 0.01 0.00 -0.00 1.98 -0.73 0.00 0.00 179.01 180.27 3kl4 h MET 202 N 0.00 -0.01 -0.53 1.92 4.05 -0.76 -2.85 114.93 116.75 3kl4 h MET 202 Ca 0.09 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.66 3kl4 h MET 202 Cb 0.63 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 3kl4 h MET 202 CO -0.00 -0.01 0.68 0.87 0.23 0.00 0.00 176.91 178.68 3kl4 h LYS 203 N -0.90 0.00 0.00 0.39 1.57 -0.86 -0.01 116.57 116.77 3kl4 h LYS 203 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kl4 h LYS 203 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3kl4 h LYS 203 CO 0.00 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.97 3kl4 n GLU 204 N -3.43 0.00 -0.32 3.15 2.13 -0.99 -1.96 120.64 119.22 3kl4 n GLU 204 Ca 0.11 0.50 0.17 0.00 0.66 0.00 0.00 57.16 58.59 3kl4 n GLU 204 Cb 0.88 -1.29 0.34 0.00 0.27 0.00 0.00 31.44 31.63 3kl4 n GLU 204 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 3kl4 h MET 205 N 0.00 0.08 -0.52 5.31 2.86 -0.81 0.45 114.93 122.29 3kl4 h MET 205 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kl4 h MET 205 Cb 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3kl4 h MET 205 CO 0.00 0.05 0.34 -0.92 1.06 0.00 0.00 176.91 177.44 3kl4 h TYR 206 N 0.08 0.66 -0.08 -0.22 -0.00 -1.24 0.25 116.97 116.42 3kl4 h TYR 206 Ca 0.62 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 59.35 3kl4 h TYR 206 Cb 1.35 -0.22 -0.00 0.00 -0.00 0.00 0.00 36.73 37.85 3kl4 h TYR 206 CO -0.34 0.42 -0.01 0.22 -0.00 0.00 0.00 178.16 178.45 3kl4 h ASP 207 N 0.70 0.15 0.48 -2.11 1.82 0.45 0.36 116.42 118.27 3kl4 h ASP 207 Ca 0.19 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 3kl4 h ASP 207 Cb -0.07 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.90 3kl4 h ASP 207 CO -0.04 0.44 -0.23 0.58 -1.61 0.00 0.00 179.24 178.38 3kl4 h VAL 208 N -0.15 0.00 0.05 2.25 2.07 -0.76 -3.36 116.25 116.36 3kl4 h VAL 208 Ca 0.02 -0.16 -0.26 0.00 0.82 0.00 0.00 66.70 67.12 3kl4 h VAL 208 Cb 0.37 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3kl4 h VAL 208 CO 0.01 0.00 -1.09 0.25 0.02 0.00 0.00 177.57 176.76 3kl4 h LEU 209 N -0.81 0.69 -2.89 2.57 6.46 -0.64 -3.49 115.31 117.20 3kl4 h LEU 209 Ca -0.07 -0.60 -0.18 0.00 -0.12 0.00 0.00 57.88 56.91 3kl4 h LEU 209 Cb 0.50 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 3kl4 h LEU 209 CO 0.11 1.41 -0.43 1.17 -0.62 0.00 0.00 178.44 180.08 3kl4 n LYS 210 N -3.75 -1.45 -2.47 1.25 3.00 0.13 -5.00 118.16 109.87 3kl4 n LYS 210 Ca -0.10 1.25 -0.24 0.00 -0.00 0.00 0.00 58.31 59.23 3kl4 n LYS 210 Cb 0.91 -4.44 0.08 0.00 0.00 0.00 0.00 35.03 31.58 3kl4 n LYS 210 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3kl4 s PRO 211 N -3.68 2.06 0.28 1.64 0.04 -1.26 -5.04 135.00 129.03 3kl4 s PRO 211 Ca 0.02 -0.73 0.15 0.00 0.04 0.00 0.00 61.00 60.47 3kl4 s PRO 211 Cb -0.00 -2.32 0.13 0.00 0.04 0.00 0.00 34.50 32.35 3kl4 s PRO 211 CO 0.81 -1.19 1.47 -0.44 0.04 0.00 0.00 177.00 177.69 3kl4 h ASP 212 N -0.40 0.00 -3.89 6.66 3.32 -1.81 -3.47 116.42 116.82 3kl4 h ASP 212 Ca -0.41 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 3kl4 h ASP 212 Cb 1.29 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.60 3kl4 h ASP 212 CO 0.49 0.53 -0.15 -0.62 -1.72 0.00 0.00 179.24 177.77 3kl4 s ASP 213 N -6.48 -0.51 -0.18 6.45 2.15 0.10 -4.92 116.67 113.29 3kl4 s ASP 213 Ca 0.03 0.97 0.01 0.00 0.43 0.00 0.00 52.55 54.00 3kl4 s ASP 213 Cb 0.08 0.99 0.03 0.00 -0.30 0.00 0.00 42.92 43.72 3kl4 s ASP 213 CO 0.74 -0.17 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.74 3kl4 s VAL 214 N 0.28 1.77 -0.22 1.11 1.01 -1.26 -0.40 120.40 122.69 3kl4 s VAL 214 Ca -0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3kl4 s VAL 214 Cb -0.03 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3kl4 s VAL 214 CO 0.00 0.34 -0.14 -0.63 0.00 0.00 0.00 175.10 174.67 3kl4 s ILE 215 N 1.38 2.22 -0.35 2.22 1.09 -0.42 -1.09 121.20 126.24 3kl4 s ILE 215 Ca 0.02 -1.24 -0.21 0.00 -1.10 0.00 0.00 60.65 58.12 3kl4 s ILE 215 Cb -0.15 -2.12 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 3kl4 s ILE 215 CO -0.10 0.25 0.65 -0.22 -0.10 0.00 0.00 174.94 175.42 3kl4 s LEU 216 N 1.22 4.23 0.20 2.97 2.96 -0.47 -2.61 118.68 127.18 3kl4 s LEU 216 Ca -0.02 0.20 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 3kl4 s LEU 216 Cb -0.16 -2.81 -0.08 0.00 0.50 0.00 0.00 46.19 43.63 3kl4 s LEU 216 CO -0.08 -0.59 1.15 -0.69 -1.32 0.00 0.00 176.35 174.81 3kl4 s VAL 217 N 2.73 3.63 0.01 1.68 1.01 -1.23 -1.73 120.40 126.50 3kl4 s VAL 217 Ca 0.25 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.72 3kl4 s VAL 217 Cb -0.14 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3kl4 s VAL 217 CO 0.15 0.26 -0.18 -0.63 0.00 0.00 0.00 175.10 174.70 3kl4 s ILE 218 N -0.33 1.40 -0.09 2.22 1.01 0.26 -4.41 121.20 121.26 3kl4 s ILE 218 Ca 0.50 -0.92 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 3kl4 s ILE 218 Cb -0.32 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3kl4 s ILE 218 CO 0.37 0.26 0.95 -0.62 0.00 0.00 0.00 174.94 175.90 3kl4 s ASP 219 N -0.78 7.20 0.00 3.58 3.68 -1.26 0.59 116.67 129.68 3kl4 s ASP 219 Ca 0.06 1.46 0.06 0.00 2.13 0.00 0.00 52.55 56.27 3kl4 s ASP 219 Cb -0.07 -2.53 0.38 0.00 -1.45 0.00 0.00 42.92 39.24 3kl4 s ASP 219 CO 0.00 -0.38 0.83 0.00 0.13 0.00 0.00 175.17 175.76 3kl4 n ALA 220 N 4.74 1.74 0.14 3.66 0.00 0.82 -1.99 120.51 129.63 3kl4 n ALA 220 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.52 3kl4 n ALA 220 Cb 0.49 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.89 3kl4 n ALA 220 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kl4 h SER 221 N 0.00 0.00 0.08 0.00 0.02 -1.85 -3.35 113.55 108.46 3kl4 h SER 221 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kl4 h SER 221 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kl4 h SER 221 CO 0.00 0.36 0.00 -0.38 -1.14 0.00 0.00 176.83 175.67 3kl4 n ILE 222 N -3.12 0.30 -1.49 3.27 5.41 -0.84 -4.94 119.36 117.95 3kl4 n ILE 222 Ca 0.01 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3kl4 n ILE 222 Cb 0.69 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 3kl4 n ILE 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kl4 n GLY 223 N -0.35 0.69 0.05 7.39 0.00 -1.25 -1.61 105.19 110.10 3kl4 n GLY 223 Ca 0.07 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.30 3kl4 n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl4 n GLN 224 N 0.00 0.03 -0.26 1.61 10.64 -1.17 -1.66 117.38 126.56 3kl4 n GLN 224 Ca 0.00 0.47 -0.04 0.00 -1.83 0.00 0.00 57.00 55.60 3kl4 n GLN 224 Cb 0.00 -1.70 0.07 0.00 -0.86 0.00 0.00 30.24 27.75 3kl4 n GLN 224 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 3kl4 h LYS 225 N 0.00 0.93 0.00 2.61 1.57 -1.59 -1.51 116.57 118.58 3kl4 h LYS 225 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kl4 h LYS 225 Cb 0.18 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3kl4 h LYS 225 CO 0.00 0.62 0.80 0.00 -0.57 0.00 0.00 179.45 180.30 3kl4 h ALA 226 N 1.28 1.61 -0.30 3.86 0.00 -1.26 0.07 119.26 124.52 3kl4 h ALA 226 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kl4 h ALA 226 Cb -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kl4 h ALA 226 CO -0.07 -0.61 0.19 -0.92 0.00 0.00 0.00 179.25 177.84 3kl4 h TYR 227 N 0.00 0.37 0.16 0.00 5.03 -1.52 -2.03 116.97 118.98 3kl4 h TYR 227 Ca 0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 3kl4 h TYR 227 Cb 1.60 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.76 3kl4 h TYR 227 CO 0.00 0.24 -0.08 0.22 -1.32 0.00 0.00 178.16 177.22 3kl4 h ASP 228 N 0.40 -0.18 -0.97 -2.11 1.82 -1.23 -1.22 116.42 112.92 3kl4 h ASP 228 Ca 0.11 0.01 0.16 0.00 -0.39 0.00 0.00 57.03 56.91 3kl4 h ASP 228 Cb -0.04 0.05 -0.10 0.00 0.68 0.00 0.00 39.33 39.92 3kl4 h ASP 228 CO -0.02 0.06 0.59 0.25 -1.61 0.00 0.00 179.24 178.50 3kl4 h LEU 229 N -0.59 0.79 -0.37 2.28 5.85 -1.77 0.30 115.31 121.79 3kl4 h LEU 229 Ca -0.02 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kl4 h LEU 229 Cb 0.17 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3kl4 h LEU 229 CO 0.04 0.35 0.20 0.00 -0.34 0.00 0.00 178.44 178.68 3kl4 h ALA 230 N 1.59 0.48 -0.35 1.25 0.00 -1.46 0.35 119.26 121.12 3kl4 h ALA 230 Ca 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3kl4 h ALA 230 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3kl4 h ALA 230 CO -0.33 0.02 0.13 1.03 0.00 0.00 0.00 179.25 180.09 3kl4 h SER 231 N 0.47 0.50 -0.72 0.00 0.87 0.10 0.70 113.55 115.47 3kl4 h SER 231 Ca 0.13 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3kl4 h SER 231 Cb 0.08 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 3kl4 h SER 231 CO -0.02 0.54 0.48 0.03 -0.53 0.00 0.00 176.83 177.33 3kl4 h ARG 232 N 0.42 0.92 0.79 2.24 3.08 -0.73 -0.69 114.38 120.40 3kl4 h ARG 232 Ca 0.12 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3kl4 h ARG 232 Cb 0.21 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kl4 h ARG 232 CO -0.01 0.61 -0.38 0.35 -1.07 0.00 0.00 179.97 179.47 3kl4 h PHE 233 N 0.95 -0.98 -0.39 3.04 3.57 -0.11 0.33 116.94 123.35 3kl4 h PHE 233 Ca 0.27 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3kl4 h PHE 233 Cb -0.07 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 3kl4 h PHE 233 CO -0.00 -0.60 -0.06 1.25 -2.23 0.00 0.00 178.31 176.67 3kl4 h HIS 234 N -1.15 -0.14 -0.03 0.41 2.76 -0.70 0.14 115.15 116.44 3kl4 h HIS 234 Ca -0.11 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3kl4 h HIS 234 Cb 0.82 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 3kl4 h HIS 234 CO -0.01 -0.14 -0.32 0.37 -1.30 0.00 0.00 177.93 176.53 3kl4 h GLN 235 N 0.03 -0.37 -0.29 5.26 5.75 -0.99 -1.00 115.11 123.51 3kl4 h GLN 235 Ca 0.19 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.75 3kl4 h GLN 235 Cb 0.28 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 3kl4 h GLN 235 CO -0.37 -0.25 -0.55 0.00 -2.65 0.00 0.00 178.83 175.01 3kl4 h ALA 236 N -0.82 -0.83 -3.16 3.38 0.00 -0.15 -3.33 119.26 114.36 3kl4 h ALA 236 Ca 0.01 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 3kl4 h ALA 236 Cb 0.42 1.07 -0.42 0.00 0.00 0.00 0.00 17.79 18.87 3kl4 h ALA 236 CO -0.23 -1.07 -0.59 0.45 0.00 0.00 0.00 179.25 177.81 3kl4 s SER 237 N -4.97 4.65 0.00 0.00 0.15 0.42 -4.94 113.70 109.01 3kl4 s SER 237 Ca -0.15 -3.61 0.00 0.00 0.70 0.00 0.00 55.95 52.89 3kl4 s SER 237 Cb 0.08 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 3kl4 s SER 237 CO 0.61 -0.13 0.84 -0.81 1.20 0.00 0.00 173.24 174.96 3kl4 n PRO 238 N 2.31 0.00 -3.37 5.44 -0.04 -0.39 -3.35 135.00 135.60 3kl4 n PRO 238 Ca 0.15 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.65 3kl4 n PRO 238 Cb 0.34 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 3kl4 n PRO 238 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kl4 n ILE 239 N -1.34 3.14 -3.81 0.52 -0.00 -1.26 -5.01 119.36 111.59 3kl4 n ILE 239 Ca 0.00 -5.38 -0.04 0.00 -0.00 0.00 0.00 62.75 57.33 3kl4 n ILE 239 Cb 0.02 -2.13 0.00 0.00 -0.00 0.00 0.00 39.64 37.54 3kl4 n ILE 239 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3kl4 s GLY 240 N -2.03 -0.04 0.06 7.39 0.00 -1.21 -4.24 107.32 107.25 3kl4 s GLY 240 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.92 3kl4 s GLY 240 CO -0.00 0.76 -0.04 -0.56 0.00 0.00 0.00 173.10 173.25 3kl4 s SER 241 N -3.11 0.64 0.08 1.64 0.01 -0.25 -4.42 113.70 108.29 3kl4 s SER 241 Ca 0.16 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.58 3kl4 s SER 241 Cb -0.02 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 3kl4 s SER 241 CO 0.05 -0.46 0.20 -0.69 0.41 0.00 0.00 173.24 172.74 3kl4 s VAL 242 N -3.06 5.23 -0.09 3.43 1.01 0.15 -1.36 120.40 125.71 3kl4 s VAL 242 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3kl4 s VAL 242 Cb 0.02 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3kl4 s VAL 242 CO -0.06 0.10 -0.14 -0.63 0.00 0.00 0.00 175.10 174.37 3kl4 s ILE 243 N -1.53 1.35 -0.27 2.22 1.01 -0.71 -2.18 121.20 121.09 3kl4 s ILE 243 Ca 0.34 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3kl4 s ILE 243 Cb -0.13 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3kl4 s ILE 243 CO 0.27 0.41 0.05 -0.63 0.00 0.00 0.00 174.94 175.04 3kl4 s ILE 244 N 0.78 3.84 0.62 2.92 1.01 -1.14 0.91 121.20 130.15 3kl4 s ILE 244 Ca -0.12 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3kl4 s ILE 244 Cb -0.16 -2.93 0.09 0.00 0.01 0.00 0.00 42.46 39.48 3kl4 s ILE 244 CO 0.02 0.17 0.86 0.42 0.00 0.00 0.00 174.94 176.41 3kl4 s THR 245 N 1.50 2.27 -0.89 2.92 -4.23 0.20 -0.14 115.64 117.26 3kl4 s THR 245 Ca 0.03 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3kl4 s THR 245 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3kl4 s THR 245 CO 0.01 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.38 3kl4 n LYS 246 N -2.49 -2.09 -0.26 3.99 5.02 -1.25 -0.13 118.16 120.96 3kl4 n LYS 246 Ca 0.14 0.50 0.22 0.00 -2.02 0.00 0.00 58.31 57.15 3kl4 n LYS 246 Cb 0.61 -4.98 0.55 0.00 -0.02 0.00 0.00 35.03 31.18 3kl4 n LYS 246 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3kl4 h MET 247 N 0.00 0.33 -0.00 1.97 4.05 -1.66 -0.96 114.93 118.65 3kl4 h MET 247 Ca -0.23 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3kl4 h MET 247 Cb 1.04 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 3kl4 h MET 247 CO 0.28 0.22 -0.03 -0.25 0.23 0.00 0.00 176.91 177.36 3kl4 n ASP 248 N -4.50 0.12 -1.55 1.39 8.00 -1.26 -3.68 116.55 115.07 3kl4 n ASP 248 Ca 0.21 -0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 3kl4 n ASP 248 Cb 0.80 -0.20 0.20 0.00 -0.02 0.00 0.00 41.12 41.90 3kl4 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kl4 n GLY 249 N 1.26 4.64 3.48 0.44 0.00 -0.36 -4.98 105.19 109.66 3kl4 n GLY 249 Ca 0.15 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 3kl4 n GLY 249 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kl4 s THR 250 N -3.23 0.03 -0.02 2.61 2.01 -1.24 -4.98 115.64 110.83 3kl4 s THR 250 Ca 0.49 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3kl4 s THR 250 Cb 0.43 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 71.07 3kl4 s THR 250 CO 0.05 -0.14 0.71 0.00 -0.69 0.00 0.00 174.62 174.54 3kl4 n ALA 251 N -0.31 2.30 -1.43 7.40 0.00 -1.26 -4.53 120.51 122.68 3kl4 n ALA 251 Ca -0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 53.44 52.50 3kl4 n ALA 251 Cb 0.62 -0.01 0.16 0.00 0.00 0.00 0.00 19.45 20.23 3kl4 n ALA 251 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kl4 n LYS 252 N -0.19 2.25 0.41 0.00 5.02 -1.26 -4.38 118.16 120.01 3kl4 n LYS 252 Ca 0.00 -3.25 -0.16 0.00 -2.02 0.00 0.00 58.31 52.88 3kl4 n LYS 252 Cb 0.11 -2.04 -0.08 0.00 -0.02 0.00 0.00 35.03 33.00 3kl4 n LYS 252 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3kl4 h GLY 253 N 1.26 -1.11 -1.24 0.72 0.00 -1.71 -3.08 103.07 97.90 3kl4 h GLY 253 Ca 0.42 0.41 0.46 0.00 0.00 0.00 0.00 47.33 48.62 3kl4 h GLY 253 CO 0.82 -0.40 0.82 -1.33 0.00 0.00 0.00 176.54 176.45 3kl4 h GLY 254 N -1.20 1.51 1.31 4.60 0.00 -1.85 0.65 103.07 108.10 3kl4 h GLY 254 Ca -0.11 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3kl4 h GLY 254 CO 0.18 -0.52 0.40 -1.33 0.00 0.00 0.00 176.54 175.27 3kl4 h GLY 255 N 0.03 0.81 0.15 4.60 0.00 -1.41 -0.97 103.07 106.27 3kl4 h GLY 255 Ca 0.86 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.91 3kl4 h GLY 255 CO -0.51 0.25 -0.00 0.00 0.00 0.00 0.00 176.54 176.28 3kl4 h ALA 256 N 1.65 -0.01 0.00 3.60 0.00 0.23 -2.46 119.26 122.27 3kl4 h ALA 256 Ca 0.24 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kl4 h ALA 256 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kl4 h ALA 256 CO -0.06 -0.08 -0.00 -0.07 0.00 0.00 0.00 179.25 179.04 3kl4 h LEU 257 N -0.87 -0.01 -1.17 0.00 3.38 -1.36 0.78 115.31 116.07 3kl4 h LEU 257 Ca -0.00 0.00 0.44 0.00 0.09 0.00 0.00 57.88 58.41 3kl4 h LEU 257 Cb 0.81 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 3kl4 h LEU 257 CO 0.00 -0.00 0.70 -1.54 0.09 0.00 0.00 178.44 177.69 3kl4 n SER 258 N -2.16 0.27 0.20 -0.43 3.41 -0.38 -0.97 113.62 113.55 3kl4 n SER 258 Ca -0.00 1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 60.00 3kl4 n SER 258 Cb 0.00 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 3kl4 n SER 258 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kl4 h ALA 259 N 1.73 -0.69 -0.85 7.33 0.00 -1.12 -1.00 119.26 124.66 3kl4 h ALA 259 Ca 0.84 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.78 3kl4 h ALA 259 Cb 2.49 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 20.43 3kl4 h ALA 259 CO -0.59 -0.65 0.55 0.28 0.00 0.00 0.00 179.25 178.84 3kl4 h VAL 260 N -0.87 0.82 -0.29 0.00 2.07 0.21 -0.74 116.25 117.44 3kl4 h VAL 260 Ca -0.06 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3kl4 h VAL 260 Cb 0.42 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3kl4 h VAL 260 CO 0.09 0.11 -0.08 0.58 0.02 0.00 0.00 177.57 178.29 3kl4 h VAL 261 N 0.60 1.28 -0.97 2.57 2.07 -1.11 -3.14 116.25 117.56 3kl4 h VAL 261 Ca 0.43 -1.13 0.29 0.00 0.82 0.00 0.00 66.70 67.11 3kl4 h VAL 261 Cb 0.78 1.42 -0.18 0.00 -1.52 0.00 0.00 31.29 31.79 3kl4 h VAL 261 CO -0.18 0.36 0.11 0.00 0.02 0.00 0.00 177.57 177.88 3kl4 n ALA 262 N -2.41 0.58 -0.06 1.67 0.00 -0.29 -0.70 120.51 119.31 3kl4 n ALA 262 Ca -0.03 1.03 -0.13 0.00 0.00 0.00 0.00 53.44 54.31 3kl4 n ALA 262 Cb 0.33 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 3kl4 n ALA 262 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kl4 h THR 263 N 0.00 1.32 0.00 0.00 1.35 -1.51 -3.48 112.91 110.60 3kl4 h THR 263 Ca 0.63 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3kl4 h THR 263 Cb 1.38 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3kl4 h THR 263 CO -0.88 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 175.35 3kl4 n GLY 264 N 0.05 0.06 3.81 5.82 0.00 0.12 -5.06 105.19 110.00 3kl4 n GLY 264 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3kl4 n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl4 s ALA 265 N -0.89 2.43 -0.07 4.61 0.00 -1.19 -5.03 121.76 121.61 3kl4 s ALA 265 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.90 3kl4 s ALA 265 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3kl4 s ALA 265 CO 0.00 -1.52 -0.11 0.99 0.00 0.00 0.00 175.76 175.11 3kl4 s THR 266 N -3.11 3.29 -0.71 0.00 2.01 -1.26 -4.53 115.64 111.33 3kl4 s THR 266 Ca 0.60 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 3kl4 s THR 266 Cb -0.14 -2.32 0.18 0.00 0.01 0.00 0.00 72.50 70.23 3kl4 s THR 266 CO 0.55 0.58 0.64 -0.63 -0.69 0.00 0.00 174.62 175.07 3kl4 s ILE 267 N -0.55 5.31 0.23 1.82 1.01 -1.26 0.33 121.20 128.10 3kl4 s ILE 267 Ca 0.08 -2.15 0.02 0.00 0.00 0.00 0.00 60.65 58.59 3kl4 s ILE 267 Cb -0.12 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 3kl4 s ILE 267 CO 0.02 -0.96 1.58 0.11 0.00 0.00 0.00 174.94 175.69 3kl4 h LYS 268 N 8.13 0.38 -4.69 2.79 1.57 -1.78 -3.39 116.57 119.57 3kl4 h LYS 268 Ca -0.05 -0.22 -0.34 0.00 -1.87 0.00 0.00 60.65 58.17 3kl4 h LYS 268 Cb 1.06 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.25 3kl4 h LYS 268 CO 0.85 0.80 -0.53 -0.06 -0.57 0.00 0.00 179.45 179.94 3kl4 s PHE 269 N -3.99 1.41 -0.15 -1.35 0.08 -1.26 -0.71 117.98 112.01 3kl4 s PHE 269 Ca -0.06 -1.49 -0.07 0.00 0.12 0.00 0.00 56.93 55.44 3kl4 s PHE 269 Cb 0.12 -0.59 0.06 0.00 -0.57 0.00 0.00 43.02 42.04 3kl4 s PHE 269 CO 0.81 -0.77 0.34 0.96 -0.10 0.00 0.00 175.22 176.46 3kl4 s ILE 270 N -3.79 -0.23 0.36 0.64 -4.36 -0.96 -2.87 121.20 109.98 3kl4 s ILE 270 Ca 0.39 0.16 -0.26 0.00 -0.26 0.00 0.00 60.65 60.68 3kl4 s ILE 270 Cb 0.04 -0.53 -0.09 0.00 1.25 0.00 0.00 42.46 43.13 3kl4 s ILE 270 CO 0.19 0.07 1.05 -0.83 0.24 0.00 0.00 174.94 175.66 3kl4 s GLY 271 N 1.81 2.84 -0.27 6.27 0.00 0.81 -2.50 107.32 116.27 3kl4 s GLY 271 Ca -0.06 0.74 0.21 0.00 0.00 0.00 0.00 44.72 45.61 3kl4 s GLY 271 CO -0.11 1.22 1.21 -1.30 0.00 0.00 0.00 173.10 174.12 3kl4 n THR 272 N 0.34 0.94 -1.22 0.90 -2.24 -0.79 -2.15 114.28 110.06 3kl4 n THR 272 Ca 0.03 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 3kl4 n THR 272 Cb 0.48 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3kl4 n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kl4 n GLY 273 N -0.78 -2.29 0.09 3.38 0.00 -1.26 -4.79 105.19 99.56 3kl4 n GLY 273 Ca 0.01 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 3kl4 n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kl4 n GLU 274 N -0.59 0.67 -0.46 1.61 4.71 -1.26 -4.77 120.64 120.54 3kl4 n GLU 274 Ca 0.00 0.07 -0.29 0.00 -0.01 0.00 0.00 57.16 56.93 3kl4 n GLU 274 Cb 0.00 -1.60 0.24 0.00 -1.01 0.00 0.00 31.44 29.07 3kl4 n GLU 274 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3kl4 n LYS 275 N -2.81 -2.88 0.06 3.49 4.81 -1.26 -4.95 118.16 114.62 3kl4 n LYS 275 Ca -0.27 -0.83 -0.11 0.00 -0.87 0.00 0.00 58.31 56.23 3kl4 n LYS 275 Cb 1.10 -1.93 -0.13 0.00 0.02 0.00 0.00 35.03 34.09 3kl4 n LYS 275 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3kl4 h ILE 276 N -2.80 1.45 -0.00 3.15 5.03 -1.96 -3.26 117.51 119.13 3kl4 h ILE 276 Ca -0.53 -3.14 0.00 0.00 -0.12 0.00 0.00 64.86 61.07 3kl4 h ILE 276 Cb 1.29 2.79 0.00 0.00 -3.03 0.00 0.00 36.82 37.88 3kl4 h ILE 276 CO 0.39 0.86 -0.05 0.47 -0.68 0.00 0.00 178.15 179.14 3kl4 n ASP 277 N -3.37 0.35 -3.42 1.72 8.00 -1.26 -4.54 116.55 114.03 3kl4 n ASP 277 Ca -0.07 -0.67 -0.39 0.00 0.71 0.00 0.00 54.79 54.38 3kl4 n ASP 277 Cb 0.99 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.98 3kl4 n ASP 277 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kl4 n GLU 278 N -0.94 3.31 -3.64 -1.24 -0.58 -1.23 -4.74 120.64 111.57 3kl4 n GLU 278 Ca 0.17 -2.24 -0.02 0.00 -0.42 0.00 0.00 57.16 54.65 3kl4 n GLU 278 Cb 0.24 -2.91 -0.04 0.00 -0.57 0.00 0.00 31.44 28.16 3kl4 n GLU 278 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3kl4 s LEU 279 N 0.72 -1.10 0.05 -4.62 0.20 -1.26 -1.88 118.68 110.79 3kl4 s LEU 279 Ca 0.61 1.54 0.03 0.00 0.69 0.00 0.00 54.13 57.01 3kl4 s LEU 279 Cb 0.16 2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 48.20 3kl4 s LEU 279 CO -0.06 -0.22 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.06 3kl4 s GLU 280 N 2.68 0.66 0.30 1.98 2.02 -1.04 -4.96 118.70 120.33 3kl4 s GLU 280 Ca -0.07 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 3kl4 s GLU 280 Cb -0.11 -0.54 -0.12 0.00 0.10 0.00 0.00 34.13 33.47 3kl4 s GLU 280 CO -0.19 0.11 1.58 2.41 0.02 0.00 0.00 175.26 179.19 3kl4 n THR 281 N 1.47 1.13 -2.65 3.63 -1.04 -1.26 -2.26 114.28 113.30 3kl4 n THR 281 Ca -0.22 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.09 3kl4 n THR 281 Cb 0.55 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 3kl4 n THR 281 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3kl4 s PHE 282 N -0.13 2.70 -0.71 -1.42 5.36 0.11 -4.87 117.98 119.03 3kl4 s PHE 282 Ca 0.63 0.40 -0.12 0.00 -0.96 0.00 0.00 56.93 56.88 3kl4 s PHE 282 Cb -0.50 -4.38 0.18 0.00 -0.34 0.00 0.00 43.02 37.99 3kl4 s PHE 282 CO 0.50 -1.45 0.62 1.21 -1.46 0.00 0.00 175.22 174.65 3kl4 s ASN 283 N 2.78 6.28 0.09 6.13 3.84 -1.26 -4.57 114.94 128.24 3kl4 s ASN 283 Ca 0.41 -2.51 -0.18 0.00 0.21 0.00 0.00 52.86 50.79 3kl4 s ASN 283 Cb -0.08 -2.12 -0.04 0.00 -0.55 0.00 0.00 41.25 38.45 3kl4 s ASN 283 CO 0.26 -0.59 1.27 0.00 -2.79 0.00 0.00 177.10 175.25 3kl4 n ALA 284 N 4.16 -0.37 0.10 1.71 0.00 -1.26 -1.16 120.51 123.69 3kl4 n ALA 284 Ca 0.06 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 3kl4 n ALA 284 Cb 0.44 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 3kl4 n ALA 284 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kl4 h LYS 285 N 0.00 -0.30 -0.16 0.00 1.57 -1.87 -1.35 116.57 114.46 3kl4 h LYS 285 Ca 0.09 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3kl4 h LYS 285 Cb 0.24 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3kl4 h LYS 285 CO -0.55 -0.20 0.19 0.00 -0.57 0.00 0.00 179.45 178.32 3kl4 h ARG 286 N -0.31 0.00 -0.06 3.15 3.08 -1.84 -0.37 114.38 118.03 3kl4 h ARG 286 Ca 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 3kl4 h ARG 286 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kl4 h ARG 286 CO -0.08 0.00 -0.47 0.35 -1.07 0.00 0.00 179.97 178.70 3kl4 h PHE 287 N 0.00 0.58 -0.71 3.04 3.57 -0.06 0.49 116.94 123.86 3kl4 h PHE 287 Ca 0.07 -0.28 0.02 0.00 3.53 0.00 0.00 57.97 61.32 3kl4 h PHE 287 Cb 0.45 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3kl4 h PHE 287 CO 0.00 1.06 0.46 0.28 -2.23 0.00 0.00 178.31 177.88 3kl4 h VAL 288 N -0.06 1.14 0.63 1.41 2.07 -0.38 -1.57 116.25 119.50 3kl4 h VAL 288 Ca -0.04 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3kl4 h VAL 288 Cb 1.14 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3kl4 h VAL 288 CO 0.10 0.17 -0.30 0.28 0.02 0.00 0.00 177.57 177.83 3kl4 h SER 289 N 0.92 -0.72 -1.69 0.57 0.02 -1.18 0.48 113.55 111.95 3kl4 h SER 289 Ca 0.27 0.01 0.49 0.00 -0.84 0.00 0.00 61.79 61.72 3kl4 h SER 289 Cb -0.05 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 3kl4 h SER 289 CO -0.08 -0.33 1.31 -1.14 -1.14 0.00 0.00 176.83 175.45 3kl4 n ARG 290 N -5.35 0.00 -0.12 3.45 3.00 0.17 -1.37 116.66 116.45 3kl4 n ARG 290 Ca -0.11 1.01 -0.15 0.00 -0.00 0.00 0.00 57.85 58.60 3kl4 n ARG 290 Cb 0.34 -2.37 -0.14 0.00 0.00 0.00 0.00 32.46 30.30 3kl4 n ARG 290 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3kl4 n ILE 291 N -3.67 1.46 0.07 5.15 -5.35 -0.61 -4.60 119.36 111.81 3kl4 n ILE 291 Ca 0.38 -0.68 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 3kl4 n ILE 291 Cb 1.82 -1.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 3kl4 n ILE 291 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3kl4 h LEU 292 N 0.00 -0.16 -7.28 7.28 3.38 0.12 -2.70 115.31 115.95 3kl4 h LEU 292 Ca -0.56 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.26 3kl4 h LEU 292 Cb 2.03 0.04 -0.28 0.00 0.09 0.00 0.00 40.66 42.55 3kl4 h LEU 292 CO -0.04 -0.06 -0.38 -0.83 0.09 0.00 0.00 178.44 177.21 3kl4 s GLY 293 N -1.74 -0.24 0.00 0.83 0.00 -0.81 -3.48 107.32 101.88 3kl4 s GLY 293 Ca -0.03 1.28 0.00 0.00 0.00 0.00 0.00 44.72 45.97 3kl4 s GLY 293 CO 0.08 1.48 0.48 1.15 0.00 0.00 0.00 173.10 176.29 3kl4 n MET 294 N 4.23 0.00 0.00 2.90 0.00 -1.26 -3.94 117.12 119.05 3kl4 n MET 294 Ca -0.24 0.48 0.00 0.00 0.00 0.00 0.00 57.70 57.94 3kl4 n MET 294 Cb 0.54 -0.84 0.00 0.00 0.00 0.00 0.00 33.22 32.92 3kl4 n MET 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kl4 n GLY 295 N -0.91 0.02 0.27 3.17 0.00 -1.26 -4.69 105.19 101.79 3kl4 n GLY 295 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3kl4 n GLY 295 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kl4 h ASP 296 N 0.00 0.14 0.43 1.61 3.32 -1.98 3.59 116.42 123.53 3kl4 h ASP 296 Ca 0.00 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3kl4 h ASP 296 Cb 0.26 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3kl4 h ASP 296 CO 0.00 0.02 -0.01 -0.29 -1.72 0.00 0.00 179.24 177.24 3kl4 h ILE 297 N 0.34 0.05 0.64 0.35 -0.00 -1.84 -2.34 117.51 114.72 3kl4 h ILE 297 Ca 0.42 -0.24 -0.03 0.00 -0.00 0.00 0.00 64.86 65.01 3kl4 h ILE 297 Cb 0.69 1.23 0.01 0.00 -0.00 0.00 0.00 36.82 38.75 3kl4 h ILE 297 CO -0.47 0.01 -0.31 -0.08 -0.00 0.00 0.00 178.15 177.31 3kl4 h GLU 298 N 0.00 -0.83 -0.66 2.19 4.57 0.65 -0.47 114.58 120.03 3kl4 h GLU 298 Ca -0.00 0.06 0.12 0.00 -1.18 0.00 0.00 59.36 58.36 3kl4 h GLU 298 Cb 0.23 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 28.91 3kl4 h GLU 298 CO 0.00 -0.52 0.19 0.66 -1.18 0.00 0.00 179.01 178.16 3kl4 h SER 299 N -0.98 0.10 -0.25 1.04 4.64 -0.82 1.13 113.55 118.41 3kl4 h SER 299 Ca -0.09 0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3kl4 h SER 299 Cb 0.69 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 3kl4 h SER 299 CO 0.14 0.04 0.23 0.40 -0.87 0.00 0.00 176.83 176.77 3kl4 h ILE 300 N 0.32 0.59 0.19 0.95 1.08 -1.34 -2.10 117.51 117.20 3kl4 h ILE 300 Ca 0.35 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.82 3kl4 h ILE 300 Cb 0.53 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3kl4 h ILE 300 CO -0.41 0.00 -0.09 0.17 -0.69 0.00 0.00 178.15 177.13 3kl4 h LEU 301 N 0.00 -0.21 -0.04 1.44 8.10 0.30 -2.74 115.31 122.16 3kl4 h LEU 301 Ca 0.12 -0.31 0.01 0.00 0.11 0.00 0.00 57.88 57.80 3kl4 h LEU 301 Cb 0.57 0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 3kl4 h LEU 301 CO -0.00 0.26 -0.11 -0.08 -4.11 0.00 0.00 178.44 174.40 3kl4 h GLU 302 N -0.76 -0.11 -0.98 0.17 4.81 -0.69 -1.04 114.58 115.97 3kl4 h GLU 302 Ca -0.03 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3kl4 h GLU 302 Cb 0.51 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.80 3kl4 h GLU 302 CO 0.04 -0.07 -0.57 1.63 -0.73 0.00 0.00 179.01 179.31 3kl4 n LYS 303 N -3.17 -0.42 0.02 1.92 5.02 -0.97 -1.35 118.16 119.21 3kl4 n LYS 303 Ca -0.01 1.49 -0.02 0.00 -2.02 0.00 0.00 58.31 57.74 3kl4 n LYS 303 Cb 0.08 -2.19 0.23 0.00 -0.02 0.00 0.00 35.03 33.13 3kl4 n LYS 303 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kl4 h VAL 304 N 0.00 1.25 0.11 -0.18 2.07 -1.30 -3.30 116.25 114.89 3kl4 h VAL 304 Ca 0.17 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3kl4 h VAL 304 Cb 0.42 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3kl4 h VAL 304 CO -0.93 0.37 -0.05 0.50 0.02 0.00 0.00 177.57 177.47 3kl4 h LYS 305 N 0.42 -0.15 -0.95 1.57 1.63 0.10 -3.33 116.57 115.86 3kl4 h LYS 305 Ca 0.07 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.08 3kl4 h LYS 305 Cb 0.58 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.13 3kl4 h LYS 305 CO 0.04 -0.10 0.52 0.78 -3.45 0.00 0.00 179.45 177.25 3kl4 h GLY 306 N -0.21 1.69 -7.10 5.01 0.00 -1.64 -3.52 103.07 97.30 3kl4 h GLY 306 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 47.33 46.61 3kl4 h GLY 306 CO 0.03 -0.15 1.70 -0.10 0.00 0.00 0.00 176.54 178.01 3kl4 n LEU 307 N -4.88 0.16 0.00 3.11 0.00 -1.24 -4.76 117.00 109.38 3kl4 n LEU 307 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.00 3kl4 n LEU 307 Cb 0.61 -0.95 0.00 0.00 0.00 0.00 0.00 43.42 43.08 3kl4 n LEU 307 CO 0.18 -1.17 0.16 -0.11 0.00 0.00 0.00 177.39 176.44 3kl4 n LEU 327 N 10.37 0.00 -0.00 -1.96 7.94 -1.26 -5.03 117.00 127.05 3kl4 n LEU 327 Ca 0.61 0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 55.49 3kl4 n LEU 327 Cb 0.16 -0.02 -0.01 0.00 0.53 0.00 0.00 43.42 44.07 3kl4 n LEU 327 CO 0.93 -0.02 -0.39 0.41 -1.11 0.00 0.00 177.39 177.21 3kl4 n THR 328 N -0.71 0.96 0.13 1.96 -1.04 -1.26 -4.69 114.28 109.63 3kl4 n THR 328 Ca 0.00 0.17 0.04 0.00 -2.04 0.00 0.00 64.05 62.22 3kl4 n THR 328 Cb 0.10 -1.71 0.21 0.00 -1.82 0.00 0.00 70.33 67.11 3kl4 n THR 328 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kl4 n LEU 329 N -3.58 0.20 0.08 -4.42 0.00 -1.26 -1.70 117.00 106.32 3kl4 n LEU 329 Ca -0.08 0.42 -0.04 0.00 0.00 0.00 0.00 56.01 56.32 3kl4 n LEU 329 Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 43.42 43.37 3kl4 n LEU 329 CO 0.04 -0.49 0.22 -0.09 0.00 0.00 0.00 177.39 177.06 3kl4 h ARG 330 N 0.00 -0.22 -0.72 1.96 2.43 -1.84 -3.15 114.38 112.84 3kl4 h ARG 330 Ca 0.00 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.38 3kl4 h ARG 330 Cb 0.79 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3kl4 h ARG 330 CO 0.00 -0.15 0.51 -0.44 -1.51 0.00 0.00 179.97 178.38 3kl4 h ASP 331 N -0.45 0.10 -0.46 -3.80 3.32 -1.62 -1.74 116.42 111.77 3kl4 h ASP 331 Ca -0.02 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3kl4 h ASP 331 Cb 0.18 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 3kl4 h ASP 331 CO 0.04 0.05 -0.44 0.58 -1.72 0.00 0.00 179.24 177.75 3kl4 h VAL 332 N 0.10 0.00 0.68 -1.35 2.07 -1.29 0.58 116.25 117.05 3kl4 h VAL 332 Ca 0.35 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.83 3kl4 h VAL 332 Cb 1.23 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3kl4 h VAL 332 CO -0.04 0.00 -0.33 0.22 0.02 0.00 0.00 177.57 177.44 3kl4 h TYR 333 N -0.21 -0.85 -0.86 1.57 3.20 -1.28 0.91 116.97 119.46 3kl4 h TYR 333 Ca 0.08 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.12 3kl4 h TYR 333 Cb 0.41 0.28 -0.16 0.00 1.54 0.00 0.00 36.73 38.80 3kl4 h TYR 333 CO -0.80 -0.53 -0.09 0.00 -1.64 0.00 0.00 178.16 175.10 3kl4 h ALA 334 N -1.54 0.77 -0.52 1.82 0.00 -1.51 0.55 119.26 118.83 3kl4 h ALA 334 Ca -0.09 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kl4 h ALA 334 Cb 0.71 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kl4 h ALA 334 CO 0.15 -0.44 0.00 0.94 0.00 0.00 0.00 179.25 179.90 3kl4 n GLN 335 N -5.48 0.00 -0.23 0.00 7.27 0.20 -2.35 117.38 116.80 3kl4 n GLN 335 Ca 0.15 0.43 0.21 0.00 0.07 0.00 0.00 57.00 57.87 3kl4 n GLN 335 Cb 0.52 -1.41 0.56 0.00 2.41 0.00 0.00 30.24 32.32 3kl4 n GLN 335 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 3kl4 h ILE 336 N 0.00 0.64 0.84 1.69 -0.00 -0.43 -1.96 117.51 118.29 3kl4 h ILE 336 Ca 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 64.86 64.71 3kl4 h ILE 336 Cb 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 36.82 37.12 3kl4 h ILE 336 CO 0.00 0.06 -0.44 -0.29 -0.00 0.00 0.00 178.15 177.48 3kl4 h ILE 337 N 0.32 0.11 -0.50 2.19 -0.00 0.14 -2.03 117.51 117.74 3kl4 h ILE 337 Ca 0.47 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 65.47 3kl4 h ILE 337 Cb 1.30 0.11 -0.02 0.00 -0.00 0.00 0.00 36.82 38.21 3kl4 h ILE 337 CO -0.15 0.00 0.44 0.00 -0.00 0.00 0.00 178.15 178.44 3kl4 h ALA 338 N -1.04 2.30 -0.03 0.18 0.00 -0.96 -2.08 119.26 117.63 3kl4 h ALA 338 Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3kl4 h ALA 338 Cb 0.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kl4 h ALA 338 CO 0.17 -0.70 -0.16 -0.07 0.00 0.00 0.00 179.25 178.48 3kl4 h LEU 339 N 0.00 0.19 -1.47 0.00 3.38 -1.28 -2.94 115.31 113.20 3kl4 h LEU 339 Ca 0.24 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3kl4 h LEU 339 Cb 1.12 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3kl4 h LEU 339 CO -0.00 0.84 0.33 0.03 0.09 0.00 0.00 178.44 179.73 3kl4 h ARG 340 N -0.44 0.69 0.39 1.13 3.08 -0.69 -2.89 114.38 115.64 3kl4 h ARG 340 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kl4 h ARG 340 Cb 0.84 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3kl4 h ARG 340 CO 0.03 0.47 -0.34 0.87 -1.07 0.00 0.00 179.97 179.93 3kl4 h LYS 341 N 0.71 -0.69 0.00 0.04 1.57 -1.49 -3.46 116.57 113.26 3kl4 h LYS 341 Ca 0.19 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3kl4 h LYS 341 Cb -0.06 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kl4 h LYS 341 CO -0.04 -0.46 0.00 -1.33 -0.57 0.00 0.00 179.45 177.05 3kl4 n MET 342 N -4.46 0.00 0.00 3.15 2.81 -1.10 -4.92 117.12 112.60 3kl4 n MET 342 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3kl4 n MET 342 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.83 3kl4 n MET 342 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kl4 n GLY 343 N 0.00 3.97 3.56 3.03 0.00 -1.26 -4.90 105.19 109.58 3kl4 n GLY 343 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3kl4 n GLY 343 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kl4 s PRO 344 N -2.14 2.64 0.01 1.61 0.02 -1.26 -4.89 135.00 130.99 3kl4 s PRO 344 Ca 0.00 0.03 -0.29 0.00 0.02 0.00 0.00 61.00 60.76 3kl4 s PRO 344 Cb 0.00 -4.79 0.10 0.00 0.02 0.00 0.00 34.50 29.83 3kl4 s PRO 344 CO 0.00 -3.05 1.04 -0.48 -0.33 0.00 0.00 177.00 174.18 3kl4 s LEU 345 N 9.38 -0.21 0.00 -5.54 2.34 -1.26 -5.06 118.68 118.33 3kl4 s LEU 345 Ca 0.67 -0.16 0.20 0.00 0.06 0.00 0.00 54.13 54.90 3kl4 s LEU 345 Cb -0.09 1.84 0.15 0.00 -0.56 0.00 0.00 46.19 47.53 3kl4 s LEU 345 CO 0.08 -0.59 1.12 -1.54 -1.06 0.00 0.00 176.35 174.36 3kl4 n SER 346 N -0.34 2.60 0.00 1.48 3.41 -1.26 -4.42 113.62 115.09 3kl4 n SER 346 Ca -0.06 -1.80 0.08 0.00 -0.26 0.00 0.00 58.87 56.83 3kl4 n SER 346 Cb 0.61 0.02 0.40 0.00 -0.26 0.00 0.00 64.21 64.98 3kl4 n SER 346 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kl4 n LYS 347 N 1.05 0.10 -0.24 4.33 4.76 -1.26 -3.41 118.16 123.48 3kl4 n LYS 347 Ca 0.11 0.17 -0.05 0.00 -2.87 0.00 0.00 58.31 55.67 3kl4 n LYS 347 Cb 0.49 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.23 3kl4 n LYS 347 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3kl4 h VAL 348 N 0.00 1.18 0.00 -0.18 -1.51 -1.96 -0.96 116.25 112.82 3kl4 h VAL 348 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3kl4 h VAL 348 Cb 0.24 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 3kl4 h VAL 348 CO 0.00 0.18 0.00 0.18 -1.23 0.00 0.00 177.57 176.70 3kl4 n LEU 349 N -4.60 0.00 0.22 4.19 4.77 -1.22 -2.70 117.00 117.66 3kl4 n LEU 349 Ca 0.06 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 3kl4 n LEU 349 Cb 0.03 -0.25 0.50 0.00 -2.33 0.00 0.00 43.42 41.37 3kl4 n LEU 349 CO 0.36 -0.05 0.81 -0.61 -1.33 0.00 0.00 177.39 176.58 3kl4 h GLN 350 N 0.00 0.00 -0.03 3.23 4.15 -1.36 -2.76 115.11 118.34 3kl4 h GLN 350 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 3kl4 h GLN 350 Cb 0.20 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.90 3kl4 h GLN 350 CO 0.00 0.25 -0.61 1.25 -1.93 0.00 0.00 178.83 177.79 3kl4 h HIS 351 N 0.00 0.67 -3.39 3.99 2.76 -1.62 -3.45 115.15 114.11 3kl4 h HIS 351 Ca -0.00 -0.34 -0.53 0.00 -2.20 0.00 0.00 60.37 57.29 3kl4 h HIS 351 Cb 0.66 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 3kl4 h HIS 351 CO 0.00 1.15 0.43 0.42 -1.30 0.00 0.00 177.93 178.63 3kl4 s ILE 352 N -3.35 4.51 -0.61 6.26 1.01 -1.04 -4.93 121.20 123.05 3kl4 s ILE 352 Ca -0.13 1.87 -0.19 0.00 0.00 0.00 0.00 60.65 62.20 3kl4 s ILE 352 Cb 0.04 -4.20 -0.17 0.00 0.01 0.00 0.00 42.46 38.15 3kl4 s ILE 352 CO 0.83 0.18 1.84 -2.65 0.00 0.00 0.00 174.94 175.14 3kl4 n PRO 353 N 3.61 1.24 -3.74 2.79 -0.02 -1.26 -4.74 135.00 132.88 3kl4 n PRO 353 Ca 0.06 -1.53 -0.12 0.00 -2.02 0.00 0.00 63.50 59.88 3kl4 n PRO 353 Cb 0.49 -2.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 3kl4 n PRO 353 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kl4 s GLY 354 N 5.05 -0.26 -0.25 -1.23 0.00 -1.26 -5.14 107.32 104.23 3kl4 s GLY 354 Ca 0.52 1.10 -0.15 0.00 0.00 0.00 0.00 44.72 46.19 3kl4 s GLY 354 CO 0.12 1.06 0.36 1.08 0.00 0.00 0.00 173.10 175.72 3kl4 s LEU 355 N 0.54 4.06 0.85 0.66 1.43 -1.26 -4.79 118.68 120.17 3kl4 s LEU 355 Ca -0.03 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 3kl4 s LEU 355 Cb -0.04 -2.42 0.11 0.00 0.03 0.00 0.00 46.19 43.86 3kl4 s LEU 355 CO -0.03 -0.15 1.18 -0.83 0.23 0.00 0.00 176.35 176.75 3kl4 s GLY 356 N 1.49 1.95 0.06 -3.19 0.00 -1.26 -5.01 107.32 101.36 3kl4 s GLY 356 Ca 0.15 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.60 3kl4 s GLY 356 CO 0.09 1.14 0.00 1.39 0.00 0.00 0.00 173.10 175.72 3kl4 n ILE 357 N -3.69 0.67 -4.18 0.90 5.41 -1.26 -5.11 119.36 112.11 3kl4 n ILE 357 Ca 0.13 0.22 -0.17 0.00 1.00 0.00 0.00 62.75 63.93 3kl4 n ILE 357 Cb 0.51 -1.51 -0.11 0.00 -0.71 0.00 0.00 39.64 37.82 3kl4 n ILE 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kl4 s MET 358 N -2.00 0.86 -0.10 0.38 0.23 -1.26 -5.07 119.30 112.34 3kl4 s MET 358 Ca 0.00 -1.07 0.15 0.00 -1.03 0.00 0.00 55.69 53.73 3kl4 s MET 358 Cb 0.00 -0.73 -0.21 0.00 -1.53 0.00 0.00 34.83 32.36 3kl4 s MET 358 CO 0.00 0.14 0.16 1.28 -2.03 0.00 0.00 175.02 174.58 3kl4 n LEU 359 N 0.89 0.00 0.04 0.18 4.77 -1.26 -4.42 117.00 117.21 3kl4 n LEU 359 Ca -0.18 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.82 3kl4 n LEU 359 Cb 0.56 0.24 0.12 0.00 -2.33 0.00 0.00 43.42 42.00 3kl4 n LEU 359 CO 0.24 0.24 0.58 -2.65 -1.33 0.00 0.00 177.39 174.47 3kl4 n PRO 360 N -2.38 0.03 -0.05 3.23 -0.02 -1.26 -2.42 135.00 132.13 3kl4 n PRO 360 Ca -0.17 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3kl4 n PRO 360 Cb 0.79 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 3kl4 n PRO 360 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3kl4 h THR 361 N 0.00 1.37 0.00 3.45 1.35 -2.03 -3.26 112.91 113.79 3kl4 h THR 361 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3kl4 h THR 361 Cb 0.30 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3kl4 h THR 361 CO 0.00 0.41 0.06 -0.81 -0.25 0.00 0.00 175.52 174.92 3kl4 n PRO 362 N -4.54 0.00 0.24 4.72 -0.04 -1.01 -1.37 135.00 133.00 3kl4 n PRO 362 Ca -0.07 0.43 0.16 0.00 -0.04 0.00 0.00 63.50 63.99 3kl4 n PRO 362 Cb 0.39 -1.56 0.86 0.00 -0.04 0.00 0.00 33.50 33.15 3kl4 n PRO 362 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kl4 h SER 363 N 0.00 0.00 0.66 3.54 4.64 -1.76 0.93 113.55 121.57 3kl4 h SER 363 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kl4 h SER 363 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3kl4 h SER 363 CO 0.00 0.00 -0.26 1.05 -0.87 0.00 0.00 176.83 176.75 3kl4 h GLU 364 N 0.00 0.00 0.17 4.77 -0.00 -1.49 -2.14 114.58 115.89 3kl4 h GLU 364 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 3kl4 h GLU 364 Cb 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 28.81 3kl4 h GLU 364 CO 0.00 0.26 -1.26 0.22 -0.00 0.00 0.00 179.01 178.24 3kl4 h ASP 365 N 0.00 0.81 -0.24 3.06 3.58 0.69 -2.31 116.42 122.02 3kl4 h ASP 365 Ca -0.00 -0.87 -0.07 0.00 0.42 0.00 0.00 57.03 56.51 3kl4 h ASP 365 Cb 0.67 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3kl4 h ASP 365 CO 0.03 1.61 -0.06 1.56 -2.88 0.00 0.00 179.24 179.51 3kl4 h GLN 366 N 0.14 0.59 -0.36 0.28 1.08 -1.36 -2.25 115.11 113.23 3kl4 h GLN 366 Ca -0.21 -0.16 -0.13 0.00 -1.45 0.00 0.00 58.65 56.71 3kl4 h GLN 366 Cb 1.96 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 29.30 3kl4 h GLN 366 CO 0.24 0.66 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.39 3kl4 h LEU 367 N 0.56 0.81 -0.93 1.46 3.38 -1.42 -2.14 115.31 117.03 3kl4 h LEU 367 Ca 0.11 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3kl4 h LEU 367 Cb 0.44 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3kl4 h LEU 367 CO 0.02 1.06 0.50 0.11 0.09 0.00 0.00 178.44 180.23 3kl4 h LYS 368 N 0.66 1.26 0.00 1.13 1.57 -0.86 0.27 116.57 120.59 3kl4 h LYS 368 Ca 0.07 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kl4 h LYS 368 Cb 0.85 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kl4 h LYS 368 CO 0.07 0.91 0.00 -0.89 -0.57 0.00 0.00 179.45 178.98 3kl4 n ILE 369 N -4.33 0.58 0.14 1.86 5.41 -0.90 -3.50 119.36 118.61 3kl4 n ILE 369 Ca 0.10 0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.85 3kl4 n ILE 369 Cb 0.09 -0.80 -0.07 0.00 -0.71 0.00 0.00 39.64 38.16 3kl4 n ILE 369 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3kl4 h GLY 370 N 3.47 -0.74 -5.46 7.39 0.00 0.22 -3.37 103.07 104.58 3kl4 h GLY 370 Ca 0.00 0.43 -0.54 0.00 0.00 0.00 0.00 47.33 47.22 3kl4 h GLY 370 CO 0.00 -0.27 1.21 -0.54 0.00 0.00 0.00 176.54 176.95 3kl4 s GLU 371 N -5.97 4.08 0.26 4.80 0.41 -1.23 -4.81 118.70 116.24 3kl4 s GLU 371 Ca -0.16 2.45 -0.05 0.00 -0.41 0.00 0.00 54.97 56.80 3kl4 s GLU 371 Cb 0.07 -4.13 0.48 0.00 -1.78 0.00 0.00 34.13 28.77 3kl4 s GLU 371 CO 0.64 -1.01 1.40 -1.91 -0.49 0.00 0.00 175.26 173.89 3kl4 n GLU 372 N 7.53 -0.08 -3.34 1.61 4.07 -1.26 -3.53 120.64 125.65 3kl4 n GLU 372 Ca 0.20 1.39 -0.42 0.00 -0.06 0.00 0.00 57.16 58.27 3kl4 n GLU 372 Cb 0.42 -2.10 -0.09 0.00 -0.06 0.00 0.00 31.44 29.61 3kl4 n GLU 372 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 3kl4 s LYS 373 N -6.07 3.33 -0.05 5.31 0.00 -1.26 -4.97 119.74 116.03 3kl4 s LYS 373 Ca -0.13 -0.56 -0.19 0.00 0.00 0.00 0.00 55.97 55.09 3kl4 s LYS 373 Cb 0.25 -3.89 -0.31 0.00 0.00 0.00 0.00 37.83 33.88 3kl4 s LYS 373 CO 0.70 -0.71 0.83 0.82 0.00 0.00 0.00 175.35 176.99 3kl4 h ILE 374 N 5.65 1.35 -2.99 3.79 2.04 -1.85 -3.48 117.51 122.02 3kl4 h ILE 374 Ca -0.28 -2.54 -0.17 0.00 1.00 0.00 0.00 64.86 62.88 3kl4 h ILE 374 Cb 1.12 3.06 -0.27 0.00 -0.74 0.00 0.00 36.82 39.99 3kl4 h ILE 374 CO 0.76 0.73 -0.42 -0.60 0.00 0.00 0.00 178.15 178.62 3kl4 s ARG 375 N -2.47 0.28 0.00 2.37 6.06 -1.26 -5.00 118.95 118.93 3kl4 s ARG 375 Ca -0.14 0.50 0.28 0.00 -2.50 0.00 0.00 55.73 53.87 3kl4 s ARG 375 Cb 0.02 0.01 1.12 0.00 0.06 0.00 0.00 34.95 36.17 3kl4 s ARG 375 CO 0.84 -0.11 1.79 0.54 -2.50 0.00 0.00 175.30 175.86 3kl4 n ARG 376 N 3.68 0.89 0.05 5.12 5.12 -1.26 -3.87 116.66 126.39 3kl4 n ARG 376 Ca -0.20 -0.39 -0.15 0.00 -1.93 0.00 0.00 57.85 55.18 3kl4 n ARG 376 Cb 0.55 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 3kl4 n ARG 376 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 3kl4 h TRP 377 N 0.96 0.73 0.00 -1.55 4.06 -1.97 -2.07 115.95 116.10 3kl4 h TRP 377 Ca 0.00 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.57 3kl4 h TRP 377 Cb 0.39 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3kl4 h TRP 377 CO 0.00 1.20 0.00 -0.07 -3.56 0.00 0.00 178.44 176.01 3kl4 h LEU 378 N 0.29 0.00 -0.01 -4.49 4.07 -1.99 -2.06 115.31 111.13 3kl4 h LEU 378 Ca -0.08 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.73 3kl4 h LEU 378 Cb 1.56 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.31 3kl4 h LEU 378 CO 0.17 0.00 -0.56 0.00 -1.08 0.00 0.00 178.44 176.97 3kl4 h ALA 379 N 2.18 0.08 -0.05 1.53 0.00 -1.64 -2.51 119.26 118.84 3kl4 h ALA 379 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 3kl4 h ALA 379 Cb 0.75 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.58 3kl4 h ALA 379 CO 0.00 0.33 -0.91 0.00 0.00 0.00 0.00 179.25 178.66 3kl4 h ALA 380 N 0.32 0.18 -0.10 0.00 0.00 -1.38 -2.14 119.26 116.15 3kl4 h ALA 380 Ca -0.07 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.22 3kl4 h ALA 380 Cb 1.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kl4 h ALA 380 CO 0.11 0.65 0.09 -0.07 0.00 0.00 0.00 179.25 180.03 3kl4 h LEU 381 N 0.40 0.00 0.23 0.00 3.38 -1.45 -0.40 115.31 117.47 3kl4 h LEU 381 Ca -0.10 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.53 3kl4 h LEU 381 Cb 1.56 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.34 3kl4 h LEU 381 CO 0.18 0.00 -1.61 0.78 0.09 0.00 0.00 178.44 177.88 3kl4 h ASN 382 N 0.00 0.75 0.00 -0.43 2.35 -1.34 -3.27 115.58 113.65 3kl4 h ASN 382 Ca 0.05 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 3kl4 h ASN 382 Cb 0.23 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3kl4 h ASN 382 CO -0.00 1.75 0.00 -0.24 -1.65 0.00 0.00 177.43 177.29 3kl4 n SER 383 N -3.66 0.00 -4.70 5.81 2.88 -0.19 -4.75 113.62 109.00 3kl4 n SER 383 Ca -0.21 -0.71 -0.31 0.00 -1.33 0.00 0.00 58.87 56.32 3kl4 n SER 383 Cb 1.10 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.48 3kl4 n SER 383 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3kl4 s MET 384 N -2.00 2.72 0.90 -1.46 -1.94 -0.98 -4.79 119.30 111.76 3kl4 s MET 384 Ca 0.07 -0.71 -0.11 0.00 -1.71 0.00 0.00 55.69 53.23 3kl4 s MET 384 Cb 0.03 -2.64 0.14 0.00 2.01 0.00 0.00 34.83 34.37 3kl4 s MET 384 CO 0.05 0.58 1.16 2.41 -0.01 0.00 0.00 175.02 179.21 3kl4 n THR 385 N 0.90 0.38 1.82 2.05 -1.04 -1.26 -4.86 114.28 112.27 3kl4 n THR 385 Ca -0.12 -0.04 0.14 0.00 -2.04 0.00 0.00 64.05 61.99 3kl4 n THR 385 Cb 0.52 -1.04 0.83 0.00 -1.82 0.00 0.00 70.33 68.83 3kl4 n THR 385 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kl4 n TYR 386 N -4.08 0.00 -0.07 -1.42 0.18 -1.26 -2.41 117.16 108.10 3kl4 n TYR 386 Ca 0.12 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.80 3kl4 n TYR 386 Cb 0.52 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.41 3kl4 n TYR 386 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3kl4 n LYS 387 N -0.98 0.36 0.00 -3.48 4.76 -1.26 -4.32 118.16 113.24 3kl4 n LYS 387 Ca 0.21 0.08 0.03 0.00 -2.87 0.00 0.00 58.31 55.77 3kl4 n LYS 387 Cb 0.10 -1.29 0.15 0.00 -1.84 0.00 0.00 35.03 32.15 3kl4 n LYS 387 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3kl4 n GLU 388 N -2.93 0.00 0.11 1.97 2.13 -1.18 0.78 120.64 121.52 3kl4 n GLU 388 Ca -0.26 0.38 0.12 0.00 0.66 0.00 0.00 57.16 58.06 3kl4 n GLU 388 Cb 0.77 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 31.03 3kl4 n GLU 388 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3kl4 h LEU 389 N 0.00 0.00 0.00 4.31 3.38 -1.66 -3.37 115.31 117.97 3kl4 h LEU 389 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kl4 h LEU 389 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kl4 h LEU 389 CO 0.00 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 3kl4 n GLU 390 N -2.64 0.00 -3.50 1.13 1.02 0.23 -4.38 120.64 112.51 3kl4 n GLU 390 Ca 0.01 0.30 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 3kl4 n GLU 390 Cb 0.53 -0.77 -0.04 0.00 -0.02 0.00 0.00 31.44 31.14 3kl4 n GLU 390 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kl4 s ASN 391 N -2.62 6.54 0.00 1.62 0.01 -1.05 -4.58 114.94 114.87 3kl4 s ASN 391 Ca 0.00 -3.51 0.24 0.00 -0.71 0.00 0.00 52.86 48.88 3kl4 s ASN 391 Cb 0.00 -2.05 1.17 0.00 0.41 0.00 0.00 41.25 40.78 3kl4 s ASN 391 CO 0.00 -0.27 1.79 -2.65 -1.51 0.00 0.00 177.10 174.45 3kl4 n PRO 392 N 2.72 0.27 0.00 -0.60 -0.02 -1.26 -3.45 135.00 132.66 3kl4 n PRO 392 Ca 0.21 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3kl4 n PRO 392 Cb 0.39 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.72 3kl4 n PRO 392 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kl4 n ASN 393 N -1.33 0.00 0.02 2.55 2.85 -1.26 0.01 115.26 118.10 3kl4 n ASN 393 Ca 0.10 -0.58 0.11 0.00 -0.11 0.00 0.00 54.58 54.11 3kl4 n ASN 393 Cb 0.21 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.25 3kl4 n ASN 393 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3kl4 n ILE 394 N -0.89 0.11 -1.87 -1.44 -5.35 -1.22 -4.93 119.36 103.76 3kl4 n ILE 394 Ca 0.09 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 3kl4 n ILE 394 Cb 0.04 0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.27 3kl4 n ILE 394 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3kl4 s ILE 395 N -3.15 2.28 0.53 7.28 1.09 0.10 -5.01 121.20 124.31 3kl4 s ILE 395 Ca 0.05 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 3kl4 s ILE 395 Cb 0.15 -3.15 -0.00 0.00 -1.06 0.00 0.00 42.46 38.40 3kl4 s ILE 395 CO 0.80 0.04 0.00 -1.81 -0.10 0.00 0.00 174.94 173.88 3kl4 s ASP 396 N 0.36 4.17 0.34 3.58 1.01 -1.26 -4.97 116.67 119.90 3kl4 s ASP 396 Ca 0.61 -1.70 0.11 0.00 0.71 0.00 0.00 52.55 52.27 3kl4 s ASP 396 Cb -0.45 0.67 0.60 0.00 1.01 0.00 0.00 42.92 44.74 3kl4 s ASP 396 CO 0.48 -0.92 1.76 0.11 0.21 0.00 0.00 175.17 176.82 3kl4 h LYS 397 N 1.29 0.07 -0.12 8.23 1.57 -1.97 0.33 116.57 125.96 3kl4 h LYS 397 Ca -0.44 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.16 3kl4 h LYS 397 Cb 1.33 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.64 3kl4 h LYS 397 CO 0.73 0.47 -0.51 0.66 -0.57 0.00 0.00 179.45 180.23 3kl4 h SER 398 N 0.06 0.66 0.10 0.86 4.64 -1.99 -2.08 113.55 115.79 3kl4 h SER 398 Ca 0.00 -0.63 -0.08 0.00 -0.47 0.00 0.00 61.79 60.62 3kl4 h SER 398 Cb 0.76 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3kl4 h SER 398 CO 0.06 1.18 -0.25 0.03 -0.87 0.00 0.00 176.83 176.97 3kl4 h ARG 399 N 0.19 0.26 0.00 4.77 3.08 -1.90 -2.02 114.38 118.76 3kl4 h ARG 399 Ca -0.03 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 3kl4 h ARG 399 Cb 1.15 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3kl4 h ARG 399 CO 0.11 0.51 -0.60 0.52 -1.07 0.00 0.00 179.97 179.44 3kl4 h MET 400 N 0.24 0.00 0.00 0.04 2.86 -0.25 -1.75 114.93 116.06 3kl4 h MET 400 Ca 0.04 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 3kl4 h MET 400 Cb 0.58 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3kl4 h MET 400 CO 0.04 0.60 -1.03 -0.09 1.06 0.00 0.00 176.91 177.49 3kl4 h ARG 401 N 0.00 0.00 0.50 1.72 2.43 -1.19 -2.66 114.38 115.19 3kl4 h ARG 401 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3kl4 h ARG 401 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3kl4 h ARG 401 CO 0.08 0.31 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.51 3kl4 h ARG 402 N 0.00 -0.65 0.00 0.20 2.43 -1.27 0.18 114.38 115.27 3kl4 h ARG 402 Ca -0.09 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3kl4 h ARG 402 Cb 1.43 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 3kl4 h ARG 402 CO 0.04 -0.35 -0.17 -0.84 -1.51 0.00 0.00 179.97 177.14 3kl4 h ILE 403 N -0.91 0.85 0.15 1.20 3.07 -1.45 0.05 117.51 120.47 3kl4 h ILE 403 Ca -0.07 -0.66 -0.01 0.00 1.55 0.00 0.00 64.86 65.67 3kl4 h ILE 403 Cb 0.60 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 3kl4 h ILE 403 CO 0.11 0.17 -0.07 0.00 -1.05 0.00 0.00 178.15 177.31 3kl4 h ALA 404 N 1.83 -0.20 -0.46 0.16 0.00 -1.32 -2.80 119.26 116.46 3kl4 h ALA 404 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3kl4 h ALA 404 Cb 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kl4 h ALA 404 CO 0.02 -0.23 0.13 1.05 0.00 0.00 0.00 179.25 180.22 3kl4 h GLU 405 N -0.97 0.69 -0.31 0.00 4.11 -0.57 -1.03 114.58 116.50 3kl4 h GLU 405 Ca -0.02 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.25 3kl4 h GLU 405 Cb 0.44 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3kl4 h GLU 405 CO 0.03 0.61 0.03 0.78 0.07 0.00 0.00 179.01 180.53 3kl4 h GLY 406 N 0.87 0.49 1.20 1.06 0.00 -1.07 -2.94 103.07 102.68 3kl4 h GLY 406 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3kl4 h GLY 406 CO -0.01 0.25 -0.70 1.48 0.00 0.00 0.00 176.54 177.56 3kl4 h SER 407 N 0.45 0.00 0.00 0.19 4.64 -1.05 -3.48 113.55 114.30 3kl4 h SER 407 Ca 0.10 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kl4 h SER 407 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3kl4 h SER 407 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3kl4 n GLY 408 N 1.25 1.55 1.54 -0.77 0.00 -0.47 -4.82 105.19 103.46 3kl4 n GLY 408 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3kl4 n GLY 408 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl4 n LEU 409 N 0.00 0.00 -4.54 0.99 4.32 -0.92 -4.95 117.00 111.91 3kl4 n LEU 409 Ca 0.00 -0.56 -0.26 0.00 -0.02 0.00 0.00 56.01 55.16 3kl4 n LEU 409 Cb 0.00 -0.41 -0.10 0.00 -1.62 0.00 0.00 43.42 41.29 3kl4 n LEU 409 CO 0.00 -1.04 -0.44 -1.61 -1.22 0.00 0.00 177.39 173.08 3kl4 s GLU 410 N -4.14 1.93 0.65 3.23 2.02 -1.26 -4.22 118.70 116.91 3kl4 s GLU 410 Ca 0.30 -1.37 0.26 0.00 0.02 0.00 0.00 54.97 54.19 3kl4 s GLU 410 Cb -0.01 -2.06 1.39 0.00 0.10 0.00 0.00 34.13 33.54 3kl4 s GLU 410 CO 0.22 0.42 1.79 0.28 0.02 0.00 0.00 175.26 177.98 3kl4 h VAL 411 N 2.77 0.06 0.13 2.63 2.07 -1.92 0.72 116.25 122.71 3kl4 h VAL 411 Ca -0.46 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.85 3kl4 h VAL 411 Cb 1.21 0.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3kl4 h VAL 411 CO 0.53 0.00 -0.91 -0.33 0.02 0.00 0.00 177.57 176.88 3kl4 h GLU 412 N 0.00 0.38 -0.08 1.57 5.08 -1.94 -1.44 114.58 118.16 3kl4 h GLU 412 Ca 0.05 -0.59 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 3kl4 h GLU 412 Cb 0.97 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3kl4 h GLU 412 CO -0.00 1.26 -0.15 0.93 -1.00 0.00 0.00 179.01 180.06 3kl4 h GLU 413 N -0.19 0.12 0.25 2.33 5.08 -1.27 -2.41 114.58 118.49 3kl4 h GLU 413 Ca -0.15 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 57.85 3kl4 h GLU 413 Cb 1.69 -0.02 0.04 0.00 0.50 0.00 0.00 28.75 30.96 3kl4 h GLU 413 CO 0.17 0.27 -1.46 0.28 -1.00 0.00 0.00 179.01 177.27 3kl4 h VAL 414 N 0.11 1.30 -0.33 3.13 2.07 -1.43 -2.92 116.25 118.18 3kl4 h VAL 414 Ca 0.02 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.82 3kl4 h VAL 414 Cb 0.33 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 3kl4 h VAL 414 CO 0.02 0.82 0.22 0.03 0.02 0.00 0.00 177.57 178.67 3kl4 h ARG 415 N 0.15 0.44 -0.25 1.57 3.08 -1.12 -1.06 114.38 117.20 3kl4 h ARG 415 Ca -0.25 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.83 3kl4 h ARG 415 Cb 2.16 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 32.04 3kl4 h ARG 415 CO 0.27 0.30 -0.23 0.93 -1.07 0.00 0.00 179.97 180.18 3kl4 h GLU 416 N 0.45 -0.23 -0.26 0.04 4.39 -1.52 -0.64 114.58 116.80 3kl4 h GLU 416 Ca 0.12 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.88 3kl4 h GLU 416 Cb -0.04 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 3kl4 h GLU 416 CO -0.03 -0.15 -0.50 1.25 -1.16 0.00 0.00 179.01 178.43 3kl4 h LEU 417 N -0.23 -1.61 -0.58 1.33 5.85 -1.17 -1.83 115.31 117.06 3kl4 h LEU 417 Ca 0.14 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.14 3kl4 h LEU 417 Cb 0.45 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 3kl4 h LEU 417 CO -0.38 -0.43 0.27 -0.07 -0.34 0.00 0.00 178.44 177.49 3kl4 h LEU 418 N -0.46 0.34 -1.49 2.25 3.38 -0.77 -1.53 115.31 117.02 3kl4 h LEU 418 Ca 0.08 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kl4 h LEU 418 Cb 0.63 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3kl4 h LEU 418 CO -0.50 0.22 0.37 -0.33 0.09 0.00 0.00 178.44 178.29 3kl4 h GLU 419 N 0.49 0.65 -0.49 1.13 4.39 -0.59 -2.36 114.58 117.80 3kl4 h GLU 419 Ca 0.28 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 3kl4 h GLU 419 Cb 0.26 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3kl4 h GLU 419 CO -0.23 0.43 0.04 2.35 -1.16 0.00 0.00 179.01 180.43 3kl4 h TRP 420 N 0.66 0.91 -0.03 4.33 -0.00 -0.47 -1.62 115.95 119.73 3kl4 h TRP 420 Ca 0.22 -0.14 0.01 0.00 -0.00 0.00 0.00 58.89 58.98 3kl4 h TRP 420 Cb 0.07 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 28.97 3kl4 h TRP 420 CO -0.00 0.85 -0.05 1.88 -0.00 0.00 0.00 178.44 181.12 3kl4 h TYR 421 N 0.71 -0.11 -0.35 2.65 0.05 -1.01 -2.72 116.97 116.19 3kl4 h TYR 421 Ca 0.14 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.89 3kl4 h TYR 421 Cb 0.46 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3kl4 h TYR 421 CO 0.03 -0.07 0.07 -0.91 -1.05 0.00 0.00 178.16 176.23 3kl4 h ASN 422 N -0.07 0.54 -0.55 3.88 2.35 -1.46 0.07 115.58 120.35 3kl4 h ASN 422 Ca 0.03 -0.25 0.16 0.00 -0.55 0.00 0.00 56.30 55.69 3kl4 h ASN 422 Cb 0.11 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3kl4 h ASN 422 CO -0.07 0.65 0.49 0.78 -1.65 0.00 0.00 177.43 177.62 3kl4 h ASN 423 N 0.41 0.00 0.53 5.81 -0.26 -1.22 1.96 115.58 122.81 3kl4 h ASN 423 Ca 0.11 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.56 3kl4 h ASN 423 Cb 0.33 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 3kl4 h ASN 423 CO 0.00 0.00 -1.52 0.24 -1.06 0.00 0.00 177.43 175.09 3kl4 h MET 424 N 0.00 0.14 -0.14 0.81 2.86 -1.15 -1.12 114.93 116.34 3kl4 h MET 424 Ca 0.26 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kl4 h MET 424 Cb 1.23 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3kl4 h MET 424 CO -0.00 0.94 0.09 -0.97 1.06 0.00 0.00 176.91 178.03 3kl4 h ASN 425 N 0.04 0.16 -0.38 1.22 -1.24 0.45 -1.96 115.58 113.87 3kl4 h ASN 425 Ca -0.23 -0.02 -0.14 0.00 0.71 0.00 0.00 56.30 56.63 3kl4 h ASN 425 Cb 1.98 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.98 3kl4 h ASN 425 CO 0.13 0.13 -0.31 -0.09 -1.29 0.00 0.00 177.43 176.00 3kl4 h ARG 426 N 0.18 0.88 0.29 6.67 2.43 0.13 -3.03 114.38 121.93 3kl4 h ARG 426 Ca 0.05 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 3kl4 h ARG 426 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3kl4 h ARG 426 CO -0.01 1.09 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.33 3kl4 h LEU 427 N 0.69 -0.33 -1.93 3.80 3.38 -1.05 -1.39 115.31 118.48 3kl4 h LEU 427 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3kl4 h LEU 427 Cb 0.89 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kl4 h LEU 427 CO 0.08 -0.24 -0.11 0.25 0.09 0.00 0.00 178.44 178.52 3kl4 h LEU 428 N -0.39 0.00 -0.74 1.67 6.46 -1.47 0.20 115.31 121.05 3kl4 h LEU 428 Ca -0.04 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.59 3kl4 h LEU 428 Cb 0.30 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3kl4 h LEU 428 CO 0.07 0.11 -0.40 0.11 -0.62 0.00 0.00 178.44 177.70 3kl4 h LYS 429 N 0.00 0.49 -0.97 1.25 1.57 -1.32 -2.68 116.57 114.91 3kl4 h LYS 429 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3kl4 h LYS 429 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kl4 h LYS 429 CO 0.01 0.81 0.00 -1.33 -0.57 0.00 0.00 179.45 178.37 3kl4 n MET 430 N -4.03 0.95 -4.04 3.15 2.81 0.70 -4.73 117.12 111.93 3kl4 n MET 430 Ca -0.02 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.78 3kl4 n MET 430 Cb 0.51 -1.36 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 3kl4 n MET 430 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kl4 s VAL 431 N -0.73 0.00 0.00 2.03 1.01 -1.01 -5.04 120.40 116.66 3kl4 s VAL 431 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.44 3kl4 s VAL 431 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3kl4 s VAL 431 CO 0.00 -0.01 0.00 0.29 0.00 0.00 0.00 175.10 175.38