#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx5 n GLY 2 N 0.00 0.95 6.15 5.00 0.00 -1.26 -5.07 105.19 110.95 1kx5 n GLY 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1kx5 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kx5 n ARG 3 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.79 116.66 113.96 1kx5 n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1kx5 n ARG 3 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1kx5 n ARG 3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kx5 n GLY 4 N 0.00 4.02 3.79 -0.13 0.00 -1.26 -4.96 105.19 106.64 1kx5 n GLY 4 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1kx5 n GLY 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kx5 n LYS 5 N -0.08 0.00 -0.41 1.61 0.00 -1.26 -3.84 118.16 114.18 1kx5 n LYS 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1kx5 n LYS 5 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.11 1kx5 n LYS 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1kx5 n GLN 6 N -1.90 0.00 -0.78 1.64 0.00 -1.26 -4.88 117.38 110.20 1kx5 n GLN 6 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.76 1kx5 n GLN 6 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 30.24 27.48 1kx5 n GLN 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kx5 n GLY 7 N -2.00 3.01 0.00 1.69 0.00 -1.25 -4.42 105.19 102.22 1kx5 n GLY 7 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1kx5 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx5 n GLY 8 N 3.87 2.57 3.19 -0.02 0.00 -1.26 -5.08 105.19 108.46 1kx5 n GLY 8 Ca 0.44 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1kx5 n GLY 8 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1kx5 n LYS 9 N 0.00 -0.35 -4.13 1.61 2.85 -1.26 -2.67 118.16 114.21 1kx5 n LYS 9 Ca 0.00 -0.09 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 1kx5 n LYS 9 Cb 0.00 -1.41 -0.02 0.00 -0.65 0.00 0.00 35.03 32.94 1kx5 n LYS 9 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1kx5 n THR 10 N -3.33 -1.00 0.63 0.58 -2.24 -1.26 -4.75 114.28 102.91 1kx5 n THR 10 Ca 0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1kx5 n THR 10 Cb 0.59 -1.67 0.15 0.00 -2.10 0.00 0.00 70.33 67.30 1kx5 n THR 10 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1kx5 n ARG 11 N -4.30 0.32 -2.16 -0.78 1.85 -1.09 -4.55 116.66 105.95 1kx5 n ARG 11 Ca 0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.66 1kx5 n ARG 11 Cb 0.49 -1.25 0.10 0.00 -1.05 0.00 0.00 32.46 30.75 1kx5 n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kx5 s ALA 12 N -2.00 2.99 -0.96 2.89 0.00 -1.26 -4.89 121.76 118.53 1kx5 s ALA 12 Ca 0.08 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 1kx5 s ALA 12 Cb 0.03 -2.60 -0.17 0.00 0.00 0.00 0.00 23.12 20.39 1kx5 s ALA 12 CO 0.06 -1.58 2.20 0.15 0.00 0.00 0.00 175.76 176.59 1kx5 s LYS 13 N -5.40 1.56 0.00 0.00 1.02 -1.26 -4.81 119.74 110.85 1kx5 s LYS 13 Ca 0.64 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.51 1kx5 s LYS 13 Cb -0.09 -4.93 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 1kx5 s LYS 13 CO 0.47 -4.80 0.00 0.00 -0.92 0.00 0.00 175.35 170.10 1kx5 n ALA 14 N 18.41 0.00 -2.58 5.17 0.00 -1.26 -4.72 120.51 135.53 1kx5 n ALA 14 Ca 0.44 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 1kx5 n ALA 14 Cb 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 1kx5 n ALA 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kx5 s LYS 15 N 0.00 2.68 0.79 0.00 -0.14 -1.26 -5.11 119.74 116.70 1kx5 s LYS 15 Ca 0.00 -0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 53.83 1kx5 s LYS 15 Cb 0.00 -2.45 0.07 0.00 -1.68 0.00 0.00 37.83 33.77 1kx5 s LYS 15 CO 0.00 0.57 1.11 0.95 -0.76 0.00 0.00 175.35 177.22 1kx5 s THR 16 N -0.58 2.97 0.30 2.17 -4.23 -1.26 -4.86 115.64 110.15 1kx5 s THR 16 Ca 0.08 0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1kx5 s THR 16 Cb -0.11 -2.72 0.09 0.00 1.34 0.00 0.00 72.50 71.09 1kx5 s THR 16 CO 0.01 -0.39 1.76 0.03 -0.54 0.00 0.00 174.62 175.49 1kx5 h ARG 17 N -1.12 0.44 -0.65 3.99 3.08 -1.99 -2.10 114.38 116.03 1kx5 h ARG 17 Ca -0.44 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.44 1kx5 h ARG 17 Cb 1.24 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1kx5 h ARG 17 CO 0.49 0.64 0.33 0.77 -1.07 0.00 0.00 179.97 181.13 1kx5 h SER 18 N 0.40 0.83 -0.52 7.04 0.02 -1.86 -0.94 113.55 118.52 1kx5 h SER 18 Ca 0.06 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1kx5 h SER 18 Cb 0.60 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1kx5 h SER 18 CO 0.04 0.71 0.23 0.77 -1.14 0.00 0.00 176.83 177.45 1kx5 h SER 19 N 0.89 0.70 0.28 3.07 4.64 -1.64 0.26 113.55 121.75 1kx5 h SER 19 Ca 0.22 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1kx5 h SER 19 Cb 0.09 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1kx5 h SER 19 CO -0.03 0.66 -0.12 0.03 -0.87 0.00 0.00 176.83 176.50 1kx5 h ARG 20 N 0.70 0.00 -0.01 4.77 3.08 -0.94 -1.17 114.38 120.81 1kx5 h ARG 20 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1kx5 h ARG 20 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1kx5 h ARG 20 CO -0.02 0.12 -0.32 0.00 -1.07 0.00 0.00 179.97 178.68 1kx5 n ALA 21 N -2.33 3.21 -2.32 0.04 0.00 -0.40 -4.93 120.51 113.78 1kx5 n ALA 21 Ca -0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 1kx5 n ALA 21 Cb 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1kx5 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kx5 n GLY 22 N 1.37 0.05 3.56 0.00 0.00 -0.43 -5.02 105.19 104.71 1kx5 n GLY 22 Ca 0.11 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1kx5 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kx5 s LEU 23 N -2.81 2.92 -0.12 0.99 1.43 0.79 -5.01 118.68 116.88 1kx5 s LEU 23 Ca 0.05 -0.65 0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1kx5 s LEU 23 Cb -0.02 -1.57 -0.24 0.00 0.03 0.00 0.00 46.19 44.39 1kx5 s LEU 23 CO 0.06 0.08 0.38 0.00 0.23 0.00 0.00 176.35 177.11 1kx5 n GLN 24 N -0.13 0.66 -2.46 1.70 1.13 -1.26 -4.24 117.38 112.79 1kx5 n GLN 24 Ca -0.10 0.19 -0.39 0.00 -1.94 0.00 0.00 57.00 54.75 1kx5 n GLN 24 Cb 0.56 -1.68 -0.04 0.00 0.11 0.00 0.00 30.24 29.19 1kx5 n GLN 24 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1kx5 s PHE 25 N -2.55 3.45 -0.65 1.08 0.40 -1.26 -4.95 117.98 113.50 1kx5 s PHE 25 Ca -0.10 1.67 -0.26 0.00 -0.60 0.00 0.00 56.93 57.64 1kx5 s PHE 25 Cb 0.07 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.29 1kx5 s PHE 25 CO 0.81 -0.67 2.00 -1.25 0.70 0.00 0.00 175.22 176.81 1kx5 s PRO 26 N -1.77 2.46 0.17 0.24 0.04 -1.26 -4.73 135.00 130.15 1kx5 s PRO 26 Ca 0.49 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 1kx5 s PRO 26 Cb -0.30 -4.56 0.07 0.00 0.04 0.00 0.00 34.50 29.75 1kx5 s PRO 26 CO 0.38 -3.04 1.82 0.28 0.04 0.00 0.00 177.00 176.48 1kx5 h VAL 27 N 7.14 1.16 -0.76 -0.36 2.07 -1.92 -1.44 116.25 122.14 1kx5 h VAL 27 Ca -0.18 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1kx5 h VAL 27 Cb 1.15 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1kx5 h VAL 27 CO 1.20 0.16 0.37 1.23 0.02 0.00 0.00 177.57 180.55 1kx5 h GLY 28 N 0.74 1.17 0.98 2.17 0.00 -1.93 0.94 103.07 107.15 1kx5 h GLY 28 Ca 0.20 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1kx5 h GLY 28 CO -0.04 0.55 0.09 -0.09 0.00 0.00 0.00 176.54 177.05 1kx5 h ARG 29 N 1.07 0.82 -0.61 4.80 2.43 -1.93 -0.38 114.38 120.58 1kx5 h ARG 29 Ca 0.26 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1kx5 h ARG 29 Cb 0.11 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1kx5 h ARG 29 CO -0.03 0.81 0.22 0.28 -1.51 0.00 0.00 179.97 179.73 1kx5 h VAL 30 N 0.70 1.22 -0.07 0.20 2.07 -0.79 0.13 116.25 119.71 1kx5 h VAL 30 Ca 0.15 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1kx5 h VAL 30 Cb 0.38 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1kx5 h VAL 30 CO 0.01 0.29 0.03 -0.74 0.02 0.00 0.00 177.57 177.17 1kx5 h HIS 31 N 0.88 0.10 -0.91 1.57 -0.00 -0.36 -1.17 115.15 115.26 1kx5 h HIS 31 Ca 0.20 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1kx5 h HIS 31 Cb 0.21 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 1kx5 h HIS 31 CO 0.01 0.20 0.55 -0.09 -0.00 0.00 0.00 177.93 178.61 1kx5 h ARG 32 N -0.03 1.23 -0.28 5.26 2.43 -0.52 -1.53 114.38 120.95 1kx5 h ARG 32 Ca 0.02 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1kx5 h ARG 32 Cb 0.14 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1kx5 h ARG 32 CO -0.00 0.86 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.87 1kx5 h LEU 33 N 1.25 0.68 -0.39 3.80 3.38 -0.55 -0.78 115.31 122.71 1kx5 h LEU 33 Ca 0.33 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1kx5 h LEU 33 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1kx5 h LEU 33 CO -0.06 0.99 0.13 -0.07 0.09 0.00 0.00 178.44 179.51 1kx5 h LEU 34 N 0.54 0.56 -0.74 1.67 3.38 -0.78 -1.00 115.31 118.95 1kx5 h LEU 34 Ca 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1kx5 h LEU 34 Cb 0.89 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1kx5 h LEU 34 CO 0.08 0.61 0.33 0.03 0.09 0.00 0.00 178.44 179.58 1kx5 h ARG 35 N 0.48 1.08 -0.00 1.13 3.08 -1.09 -2.80 114.38 116.26 1kx5 h ARG 35 Ca 0.13 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1kx5 h ARG 35 Cb 0.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1kx5 h ARG 35 CO -0.00 0.87 -0.12 0.36 -1.07 0.00 0.00 179.97 180.01 1kx5 n LYS 36 N -4.37 0.52 0.00 0.04 2.85 -0.31 -3.53 118.16 113.36 1kx5 n LYS 36 Ca 0.06 -0.16 0.13 0.00 -1.05 0.00 0.00 58.31 57.30 1kx5 n LYS 36 Cb 0.16 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.54 1kx5 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1kx5 n GLY 37 N 1.32 -1.12 3.50 2.58 0.00 -0.39 -4.94 105.19 106.15 1kx5 n GLY 37 Ca 0.13 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1kx5 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kx5 n ASN 38 N -1.19 -5.50 0.05 1.61 4.13 -1.23 -4.90 115.26 108.22 1kx5 n ASN 38 Ca 0.10 -0.54 -0.12 0.00 1.68 0.00 0.00 54.58 55.71 1kx5 n ASN 38 Cb 0.31 -4.92 -0.13 0.00 -1.54 0.00 0.00 39.78 33.50 1kx5 n ASN 38 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 1kx5 h TYR 39 N -2.49 0.21 -2.56 3.10 -1.99 -1.86 -3.48 116.97 107.90 1kx5 h TYR 39 Ca -0.56 -0.15 0.06 0.00 2.00 0.00 0.00 58.73 60.08 1kx5 h TYR 39 Cb 1.35 -0.01 -0.14 0.00 2.00 0.00 0.00 36.73 39.94 1kx5 h TYR 39 CO 0.47 1.17 0.39 0.00 -0.00 0.00 0.00 178.16 180.19 1kx5 s ALA 40 N -2.64 -1.73 0.17 3.88 0.00 -1.26 -5.04 121.76 115.14 1kx5 s ALA 40 Ca -0.05 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 1kx5 s ALA 40 Cb 0.08 0.60 0.13 0.00 0.00 0.00 0.00 23.12 23.94 1kx5 s ALA 40 CO 0.84 -0.73 1.74 1.49 0.00 0.00 0.00 175.76 179.09 1kx5 h GLU 41 N 2.00 0.27 -5.92 0.00 4.81 -1.98 -3.44 114.58 110.32 1kx5 h GLU 41 Ca -0.27 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.42 1kx5 h GLU 41 Cb 1.27 -0.06 -0.17 0.00 0.63 0.00 0.00 28.75 30.42 1kx5 h GLU 41 CO 0.33 0.18 -0.77 1.03 -0.73 0.00 0.00 179.01 179.05 1kx5 s ARG 42 N -6.15 1.36 -0.13 1.92 0.52 -1.26 -5.11 118.95 110.10 1kx5 s ARG 42 Ca -0.13 -1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 53.56 1kx5 s ARG 42 Cb 0.14 -1.37 0.03 0.00 0.52 0.00 0.00 34.95 34.27 1kx5 s ARG 42 CO 0.72 0.27 -0.04 0.08 0.02 0.00 0.00 175.30 176.35 1kx5 s VAL 43 N -2.31 0.84 0.73 3.52 1.01 -1.26 -5.08 120.40 117.85 1kx5 s VAL 43 Ca 0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 1kx5 s VAL 43 Cb -0.05 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1kx5 s VAL 43 CO 0.08 0.20 1.13 -0.83 0.00 0.00 0.00 175.10 175.68 1kx5 s GLY 44 N 1.76 2.03 0.33 4.51 0.00 -1.26 -4.94 107.32 109.75 1kx5 s GLY 44 Ca 0.03 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.33 1kx5 s GLY 44 CO -0.07 0.93 1.92 0.00 0.00 0.00 0.00 173.10 175.88 1kx5 h ALA 45 N -0.53 1.40 0.00 3.20 0.00 -2.04 -2.75 119.26 118.54 1kx5 h ALA 45 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1kx5 h ALA 45 Cb 1.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1kx5 h ALA 45 CO 0.51 0.46 0.00 0.78 0.00 0.00 0.00 179.25 181.00 1kx5 h GLY 46 N 0.87 0.00 1.00 0.00 0.00 -2.01 -3.35 103.07 99.57 1kx5 h GLY 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1kx5 h GLY 46 CO -0.02 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.57 1kx5 h ALA 47 N 2.27 0.09 0.00 3.60 0.00 -1.86 -0.67 119.26 122.68 1kx5 h ALA 47 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kx5 h ALA 47 Cb 0.74 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1kx5 h ALA 47 CO 0.00 -0.42 -0.07 -1.00 0.00 0.00 0.00 179.25 177.76 1kx5 h PRO 48 N 0.09 0.00 0.01 0.00 0.13 -1.73 -0.89 132.00 129.62 1kx5 h PRO 48 Ca 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 1kx5 h PRO 48 Cb -0.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.13 1kx5 h PRO 48 CO -0.01 0.07 -0.28 0.28 -0.23 0.00 0.00 178.00 177.84 1kx5 h VAL 49 N 0.00 1.58 -0.40 1.56 2.07 -1.62 -1.09 116.25 118.35 1kx5 h VAL 49 Ca -0.00 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1kx5 h VAL 49 Cb 0.47 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1kx5 h VAL 49 CO 0.01 0.56 0.25 0.22 0.02 0.00 0.00 177.57 178.64 1kx5 h TYR 50 N -0.56 0.50 -0.54 1.57 3.20 -0.96 -2.06 116.97 118.13 1kx5 h TYR 50 Ca -0.04 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 1kx5 h TYR 50 Cb 1.08 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1kx5 h TYR 50 CO 0.20 0.33 -0.09 1.25 -1.64 0.00 0.00 178.16 178.21 1kx5 h LEU 51 N 0.53 1.01 -1.06 2.82 5.85 -1.24 -1.97 115.31 121.25 1kx5 h LEU 51 Ca 0.14 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1kx5 h LEU 51 Cb -0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1kx5 h LEU 51 CO -0.03 1.12 0.25 0.00 -0.34 0.00 0.00 178.44 179.44 1kx5 h ALA 52 N 0.93 1.26 -0.47 1.25 0.00 -1.05 -0.67 119.26 120.50 1kx5 h ALA 52 Ca 0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1kx5 h ALA 52 Cb 0.66 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1kx5 h ALA 52 CO 0.05 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 1kx5 h ALA 53 N 1.37 0.94 -0.27 0.00 0.00 -1.14 -0.53 119.26 119.63 1kx5 h ALA 53 Ca 0.21 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1kx5 h ALA 53 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1kx5 h ALA 53 CO -0.02 0.62 -0.27 0.28 0.00 0.00 0.00 179.25 179.86 1kx5 h VAL 54 N 0.77 1.31 -0.72 0.00 2.07 -0.78 -1.12 116.25 117.78 1kx5 h VAL 54 Ca 0.13 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1kx5 h VAL 54 Cb 0.60 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1kx5 h VAL 54 CO 0.04 0.46 0.42 -0.07 0.02 0.00 0.00 177.57 178.44 1kx5 h LEU 55 N 0.38 0.88 -0.47 2.57 3.38 -0.94 -0.86 115.31 120.26 1kx5 h LEU 55 Ca 0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1kx5 h LEU 55 Cb 0.84 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1kx5 h LEU 55 CO 0.07 0.70 0.08 -0.08 0.09 0.00 0.00 178.44 179.30 1kx5 h GLU 56 N 0.99 0.77 -0.47 1.13 4.81 -1.04 -1.85 114.58 118.92 1kx5 h GLU 56 Ca 0.26 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1kx5 h GLU 56 Cb -0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1kx5 h GLU 56 CO -0.05 0.78 0.29 -0.92 -0.73 0.00 0.00 179.01 178.38 1kx5 h TYR 57 N 0.64 0.62 -0.39 0.92 3.20 -0.90 -0.85 116.97 120.21 1kx5 h TYR 57 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1kx5 h TYR 57 Cb 0.38 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1kx5 h TYR 57 CO 0.03 0.43 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.78 1kx5 h LEU 58 N 0.63 0.68 -0.61 2.82 3.38 -1.08 -1.02 115.31 120.11 1kx5 h LEU 58 Ca 0.17 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1kx5 h LEU 58 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1kx5 h LEU 58 CO -0.03 0.83 0.15 0.74 0.09 0.00 0.00 178.44 180.22 1kx5 h THR 59 N 0.63 1.25 -0.57 0.22 2.02 -1.03 -2.20 112.91 113.23 1kx5 h THR 59 Ca 0.11 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 1kx5 h THR 59 Cb 0.57 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1kx5 h THR 59 CO 0.04 0.34 0.04 0.00 0.37 0.00 0.00 175.52 176.31 1kx5 h ALA 60 N 1.04 1.00 -0.30 6.16 0.00 -0.80 -0.21 119.26 126.16 1kx5 h ALA 60 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1kx5 h ALA 60 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1kx5 h ALA 60 CO 0.00 0.62 0.10 1.49 0.00 0.00 0.00 179.25 181.46 1kx5 h GLU 61 N 0.88 0.46 -0.20 0.00 4.57 -0.90 -0.79 114.58 118.60 1kx5 h GLU 61 Ca 0.17 -0.10 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 1kx5 h GLU 61 Cb 0.46 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1kx5 h GLU 61 CO 0.02 0.51 -0.55 0.82 -1.18 0.00 0.00 179.01 178.63 1kx5 h ILE 62 N 0.32 1.31 -0.23 2.32 2.04 -1.27 -2.44 117.51 119.57 1kx5 h ILE 62 Ca 0.10 -1.79 -0.12 0.00 1.00 0.00 0.00 64.86 64.05 1kx5 h ILE 62 Cb 0.24 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1kx5 h ILE 62 CO -0.00 0.56 -0.36 -0.07 0.00 0.00 0.00 178.15 178.27 1kx5 h LEU 63 N 0.47 0.53 -0.06 1.44 3.38 -0.95 0.13 115.31 120.26 1kx5 h LEU 63 Ca 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1kx5 h LEU 63 Cb 1.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1kx5 h LEU 63 CO 0.11 0.85 0.03 -0.08 0.09 0.00 0.00 178.44 179.44 1kx5 h GLU 64 N 0.43 0.08 -0.23 1.13 4.57 -1.09 0.29 114.58 119.76 1kx5 h GLU 64 Ca 0.04 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1kx5 h GLU 64 Cb 0.83 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1kx5 h GLU 64 CO 0.07 0.12 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.49 1kx5 h LEU 65 N 0.01 0.63 -0.55 1.64 3.38 -1.24 -1.88 115.31 117.31 1kx5 h LEU 65 Ca 0.02 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 1kx5 h LEU 65 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1kx5 h LEU 65 CO -0.00 1.00 -0.64 0.00 0.09 0.00 0.00 178.44 178.88 1kx5 h ALA 66 N 1.02 0.74 -0.59 1.53 0.00 -0.66 -1.53 119.26 119.78 1kx5 h ALA 66 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1kx5 h ALA 66 Cb 0.99 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1kx5 h ALA 66 CO 0.09 0.74 0.06 0.78 0.00 0.00 0.00 179.25 180.92 1kx5 h GLY 67 N 1.38 1.08 1.21 0.00 0.00 -0.86 0.59 103.07 106.47 1kx5 h GLY 67 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 1kx5 h GLY 67 CO 0.11 0.69 0.28 3.43 0.00 0.00 0.00 176.54 181.05 1kx5 h ASN 68 N 0.89 0.92 -0.52 0.19 2.35 -1.11 -1.18 115.58 117.13 1kx5 h ASN 68 Ca 0.17 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1kx5 h ASN 68 Cb 0.47 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1kx5 h ASN 68 CO 0.02 0.81 -0.10 0.00 -1.65 0.00 0.00 177.43 176.51 1kx5 h ALA 69 N 1.32 0.72 -0.50 -0.83 0.00 -0.77 -0.66 119.26 118.53 1kx5 h ALA 69 Ca 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1kx5 h ALA 69 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kx5 h ALA 69 CO -0.02 0.62 0.26 0.00 0.00 0.00 0.00 179.25 180.10 1kx5 h ALA 70 N 0.92 0.65 -0.89 0.00 0.00 -0.58 -2.04 119.26 117.30 1kx5 h ALA 70 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kx5 h ALA 70 Cb 0.66 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1kx5 h ALA 70 CO 0.05 0.19 0.56 -0.09 0.00 0.00 0.00 179.25 179.96 1kx5 h ARG 71 N 0.67 1.20 0.00 0.00 2.43 -1.04 0.19 114.38 117.83 1kx5 h ARG 71 Ca 0.17 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1kx5 h ARG 71 Cb 0.09 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1kx5 h ARG 71 CO -0.02 0.83 0.00 -0.44 -1.51 0.00 0.00 179.97 178.82 1kx5 h ASP 72 N 1.22 0.00 -0.57 -3.80 3.32 -0.66 -2.55 116.42 113.38 1kx5 h ASP 72 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1kx5 h ASP 72 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1kx5 h ASP 72 CO -0.06 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.05 1kx5 n ASN 73 N -2.59 3.95 -1.71 6.45 3.02 -0.63 -4.95 115.26 118.80 1kx5 n ASN 73 Ca 0.02 -2.23 -0.13 0.00 -0.03 0.00 0.00 54.58 52.21 1kx5 n ASN 73 Cb 0.28 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1kx5 n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kx5 n LYS 74 N 1.01 -2.28 -4.28 3.52 4.76 -0.96 -5.03 118.16 114.90 1kx5 n LYS 74 Ca 0.21 0.55 -0.22 0.00 -2.87 0.00 0.00 58.31 55.99 1kx5 n LYS 74 Cb 0.68 -4.66 -0.12 0.00 -1.84 0.00 0.00 35.03 29.09 1kx5 n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1kx5 s LYS 75 N -5.02 1.13 -0.00 1.97 1.02 0.57 -5.01 119.74 114.40 1kx5 s LYS 75 Ca 0.12 -1.23 0.14 0.00 0.02 0.00 0.00 55.97 55.02 1kx5 s LYS 75 Cb -0.05 -1.23 -0.16 0.00 -0.52 0.00 0.00 37.83 35.86 1kx5 s LYS 75 CO 0.15 0.27 0.56 0.25 -0.92 0.00 0.00 175.35 175.65 1kx5 n THR 76 N 0.76 0.00 -4.02 2.17 -2.24 -1.26 -3.25 114.28 106.44 1kx5 n THR 76 Ca -0.17 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 1kx5 n THR 76 Cb 0.55 0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 69.52 1kx5 n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1kx5 s ARG 77 N -2.43 3.40 -0.04 -0.78 3.52 -1.26 -5.03 118.95 116.33 1kx5 s ARG 77 Ca 0.04 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1kx5 s ARG 77 Cb 0.10 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 1kx5 s ARG 77 CO 0.58 -0.13 1.47 0.42 -0.81 0.00 0.00 175.30 176.83 1kx5 s ILE 78 N 1.30 3.73 0.42 4.11 1.01 -1.26 -4.97 121.20 125.55 1kx5 s ILE 78 Ca 0.04 1.02 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1kx5 s ILE 78 Cb -0.14 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1kx5 s ILE 78 CO -0.02 -0.04 0.10 0.27 0.00 0.00 0.00 174.94 175.25 1kx5 s ILE 79 N 3.09 2.07 0.34 2.92 -4.36 -1.26 -5.01 121.20 118.98 1kx5 s ILE 79 Ca 0.66 -1.85 0.12 0.00 -0.26 0.00 0.00 60.65 59.32 1kx5 s ILE 79 Cb -0.31 -2.92 0.34 0.00 1.25 0.00 0.00 42.46 40.82 1kx5 s ILE 79 CO 0.26 0.00 1.73 -0.65 0.24 0.00 0.00 174.94 176.52 1kx5 h PRO 80 N 1.56 0.50 -0.82 0.37 0.11 -1.88 -0.51 132.00 131.33 1kx5 h PRO 80 Ca -0.43 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1kx5 h PRO 80 Cb 1.25 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 1kx5 h PRO 80 CO 0.75 0.33 0.45 -0.09 -0.21 0.00 0.00 178.00 179.22 1kx5 h ARG 81 N 0.52 0.69 -0.13 1.05 9.65 -1.80 -0.46 114.38 123.90 1kx5 h ARG 81 Ca 0.64 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 59.38 1kx5 h ARG 81 Cb 1.34 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1kx5 h ARG 81 CO -0.44 0.46 -0.36 0.45 2.80 0.00 0.00 179.97 182.88 1kx5 h HIS 82 N 0.71 0.31 -0.28 2.20 3.86 -1.43 0.92 115.15 121.44 1kx5 h HIS 82 Ca 0.41 -0.08 -0.19 0.00 -1.16 0.00 0.00 60.37 59.36 1kx5 h HIS 82 Cb 0.46 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1kx5 h HIS 82 CO -0.08 0.60 -0.57 -0.07 0.86 0.00 0.00 177.93 178.67 1kx5 h LEU 83 N 0.23 0.99 -0.19 2.43 3.38 -1.10 -1.50 115.31 119.54 1kx5 h LEU 83 Ca 0.03 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1kx5 h LEU 83 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1kx5 h LEU 83 CO 0.06 1.34 0.06 -0.61 0.09 0.00 0.00 178.44 179.39 1kx5 h GLN 84 N 0.67 0.30 -0.65 1.13 5.75 -0.79 -1.29 115.11 120.22 1kx5 h GLN 84 Ca 0.01 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1kx5 h GLN 84 Cb 1.19 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 1kx5 h GLN 84 CO 0.13 0.39 0.36 -0.07 -2.65 0.00 0.00 178.83 176.99 1kx5 h LEU 85 N 0.14 0.54 -0.57 -2.39 3.38 -0.79 -0.25 115.31 115.36 1kx5 h LEU 85 Ca 0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1kx5 h LEU 85 Cb 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1kx5 h LEU 85 CO -0.00 0.35 0.33 0.00 0.09 0.00 0.00 178.44 179.22 1kx5 h ALA 86 N 1.34 0.73 -0.07 1.53 0.00 -1.04 -2.06 119.26 119.68 1kx5 h ALA 86 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1kx5 h ALA 86 Cb 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kx5 h ALA 86 CO -0.17 0.22 -0.42 0.28 0.00 0.00 0.00 179.25 179.16 1kx5 h VAL 87 N 0.77 1.41 0.00 0.00 2.07 -0.98 -3.12 116.25 116.40 1kx5 h VAL 87 Ca 0.20 -1.81 -0.09 0.00 0.82 0.00 0.00 66.70 65.82 1kx5 h VAL 87 Cb 0.00 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1kx5 h VAL 87 CO -0.04 0.53 -0.44 0.03 0.02 0.00 0.00 177.57 177.67 1kx5 h ARG 88 N -0.05 0.00 -0.01 1.57 2.47 -1.05 -2.39 114.38 114.92 1kx5 h ARG 88 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1kx5 h ARG 88 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1kx5 h ARG 88 CO 0.09 0.44 -0.10 0.09 0.56 0.00 0.00 179.97 181.05 1kx5 n ASN 89 N -3.55 0.83 -4.32 7.04 3.02 -0.78 -4.69 115.26 112.81 1kx5 n ASN 89 Ca -0.00 -0.96 -0.37 0.00 -0.03 0.00 0.00 54.58 53.21 1kx5 n ASN 89 Cb 0.56 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.60 1kx5 n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kx5 s ASP 90 N -2.29 5.20 0.21 6.41 2.15 -0.97 -5.01 116.67 122.37 1kx5 s ASP 90 Ca 0.33 -0.87 -0.14 0.00 0.43 0.00 0.00 52.55 52.30 1kx5 s ASP 90 Cb 0.20 -1.88 0.23 0.00 -0.30 0.00 0.00 42.92 41.18 1kx5 s ASP 90 CO 0.43 -0.24 1.62 -0.08 -0.17 0.00 0.00 175.17 176.73 1kx5 h GLU 91 N 8.23 -0.01 -0.18 4.34 4.81 -1.83 0.14 114.58 130.07 1kx5 h GLU 91 Ca -0.28 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1kx5 h GLU 91 Cb 1.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1kx5 h GLU 91 CO 0.61 -0.01 -0.61 0.93 -0.73 0.00 0.00 179.01 179.20 1kx5 h GLU 92 N -0.01 0.74 -0.46 1.92 5.08 -1.95 -2.46 114.58 117.44 1kx5 h GLU 92 Ca 0.30 -0.55 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1kx5 h GLU 92 Cb 0.47 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1kx5 h GLU 92 CO -0.65 1.17 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.34 1kx5 h LEU 93 N 0.45 0.83 -1.06 1.33 3.38 -1.74 -0.69 115.31 117.81 1kx5 h LEU 93 Ca -0.02 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1kx5 h LEU 93 Cb 1.24 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1kx5 h LEU 93 CO 0.13 0.96 0.63 -1.13 0.09 0.00 0.00 178.44 179.12 1kx5 h ASN 94 N 0.75 1.07 -0.10 -0.43 -1.24 -0.24 0.37 115.58 115.75 1kx5 h ASN 94 Ca 0.12 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 1kx5 h ASN 94 Cb 0.62 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1kx5 h ASN 94 CO 0.04 0.75 -0.32 0.50 -1.29 0.00 0.00 177.43 177.11 1kx5 h LYS 95 N 1.25 0.40 -0.98 6.67 3.64 -1.07 -0.41 116.57 126.06 1kx5 h LYS 95 Ca 0.37 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1kx5 h LYS 95 Cb -0.06 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1kx5 h LYS 95 CO -0.10 0.92 0.64 1.25 -2.27 0.00 0.00 179.45 179.89 1kx5 h LEU 96 N -0.04 1.08 -3.91 5.20 5.85 -0.83 -1.70 115.31 120.97 1kx5 h LEU 96 Ca -0.01 -0.01 -0.51 0.00 0.84 0.00 0.00 57.88 58.18 1kx5 h LEU 96 Cb 0.95 -0.25 -0.28 0.00 0.37 0.00 0.00 40.66 41.44 1kx5 h LEU 96 CO 0.07 0.75 0.57 0.18 -0.34 0.00 0.00 178.44 179.67 1kx5 n LEU 97 N -4.43 6.58 0.27 2.25 4.77 0.09 -4.66 117.00 121.87 1kx5 n LEU 97 Ca 0.13 -3.81 0.13 0.00 -0.03 0.00 0.00 56.01 52.43 1kx5 n LEU 97 Cb 0.08 -0.83 0.78 0.00 -2.33 0.00 0.00 43.42 41.12 1kx5 n LEU 97 CO 0.35 1.20 1.02 1.23 -1.33 0.00 0.00 177.39 179.86 1kx5 h GLY 98 N 1.25 0.00 -1.64 -0.72 0.00 -0.08 -2.45 103.07 99.43 1kx5 h GLY 98 Ca 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.78 1kx5 h GLY 98 CO 1.12 0.00 -0.45 0.54 0.00 0.00 0.00 176.54 177.75 1kx5 n ARG 99 N -3.73 1.94 -4.85 4.80 5.12 -1.26 -5.01 116.66 113.68 1kx5 n ARG 99 Ca -0.02 -3.41 -0.31 0.00 -1.93 0.00 0.00 57.85 52.18 1kx5 n ARG 99 Cb 0.19 -1.76 -0.14 0.00 -1.16 0.00 0.00 32.46 29.59 1kx5 n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1kx5 s VAL 100 N -3.46 2.40 -0.19 1.55 1.01 -0.92 -5.12 120.40 115.67 1kx5 s VAL 100 Ca 0.42 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1kx5 s VAL 100 Cb 0.39 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1kx5 s VAL 100 CO -0.04 0.38 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 1kx5 s THR 101 N -0.83 3.04 -0.43 3.92 2.01 -1.26 -5.04 115.64 117.05 1kx5 s THR 101 Ca 0.13 -0.62 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1kx5 s THR 101 Cb -0.10 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.09 1kx5 s THR 101 CO 0.03 0.47 0.59 -0.63 -0.69 0.00 0.00 174.62 174.39 1kx5 s ILE 102 N 1.15 4.90 0.42 1.82 1.01 -1.26 -5.04 121.20 124.19 1kx5 s ILE 102 Ca 0.01 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 1kx5 s ILE 102 Cb -0.14 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1kx5 s ILE 102 CO -0.03 -0.53 1.19 0.00 0.00 0.00 0.00 174.94 175.58 1kx5 n ALA 103 N 6.07 0.93 -2.35 9.38 0.00 -1.26 -1.67 120.51 131.61 1kx5 n ALA 103 Ca -0.03 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 1kx5 n ALA 103 Cb 0.48 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 1kx5 n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1kx5 n GLN 104 N 0.09 -1.91 0.01 0.00 1.13 -1.26 -4.82 117.38 110.62 1kx5 n GLN 104 Ca 0.07 0.82 0.02 0.00 -1.94 0.00 0.00 57.00 55.97 1kx5 n GLN 104 Cb 0.39 -5.42 -0.10 0.00 0.11 0.00 0.00 30.24 25.22 1kx5 n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kx5 n GLY 105 N -0.86 -1.17 7.00 1.08 0.00 -0.67 -3.48 105.19 107.09 1kx5 n GLY 105 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1kx5 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx5 n GLY 106 N 1.40 -0.32 3.37 -0.02 0.00 -1.26 -4.57 105.19 103.80 1kx5 n GLY 106 Ca -0.11 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 1kx5 n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kx5 s VAL 107 N 0.00 1.00 0.37 1.61 -7.23 -1.26 -5.03 120.40 109.86 1kx5 s VAL 107 Ca 0.00 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 1kx5 s VAL 107 Cb 0.00 -2.57 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 1kx5 s VAL 107 CO 0.00 -0.14 0.97 -0.76 -0.31 0.00 0.00 175.10 174.87 1kx5 s LEU 108 N -3.37 4.18 0.17 1.32 1.43 -1.26 -4.97 118.68 116.17 1kx5 s LEU 108 Ca 0.33 1.86 -0.32 0.00 -1.03 0.00 0.00 54.13 54.97 1kx5 s LEU 108 Cb 0.07 -4.20 -0.10 0.00 0.03 0.00 0.00 46.19 41.99 1kx5 s LEU 108 CO 0.12 -0.26 1.59 -2.84 0.23 0.00 0.00 176.35 175.19 1kx5 s PRO 109 N -2.46 4.20 -0.30 1.29 0.02 -1.26 -4.95 135.00 131.55 1kx5 s PRO 109 Ca 0.55 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.86 1kx5 s PRO 109 Cb -0.17 -3.14 0.17 0.00 0.02 0.00 0.00 34.50 31.38 1kx5 s PRO 109 CO 0.22 -0.63 0.89 1.21 -0.33 0.00 0.00 177.00 178.37 1kx5 s ASN 110 N 1.15 -0.77 -0.14 2.53 3.04 -1.26 -5.15 114.94 114.35 1kx5 s ASN 110 Ca 0.71 0.70 0.02 0.00 0.04 0.00 0.00 52.86 54.33 1kx5 s ASN 110 Cb -0.45 1.73 0.00 0.00 -1.54 0.00 0.00 41.25 41.00 1kx5 s ASN 110 CO 0.31 -0.14 -0.20 -0.63 -3.04 0.00 0.00 177.10 173.40 1kx5 s ILE 111 N 2.76 2.30 0.21 -5.21 1.01 -1.26 -5.09 121.20 115.92 1kx5 s ILE 111 Ca 0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.46 1kx5 s ILE 111 Cb -0.10 -1.93 -0.11 0.00 0.01 0.00 0.00 42.46 40.32 1kx5 s ILE 111 CO -0.16 0.54 1.65 -1.10 0.00 0.00 0.00 174.94 175.87 1kx5 s GLN 112 N 0.70 4.15 0.29 2.79 -1.52 -1.26 -4.87 119.66 119.94 1kx5 s GLN 112 Ca -0.09 2.53 0.03 0.00 -1.95 0.00 0.00 55.36 55.87 1kx5 s GLN 112 Cb -0.16 -3.09 0.70 0.00 -0.22 0.00 0.00 33.01 30.25 1kx5 s GLN 112 CO 0.01 -0.68 1.68 0.66 -0.25 0.00 0.00 175.29 176.71 1kx5 h SER 113 N 6.39 0.22 0.00 5.90 4.64 -1.98 -0.17 113.55 128.56 1kx5 h SER 113 Ca -0.44 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1kx5 h SER 113 Cb 1.21 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1kx5 h SER 113 CO 0.91 -0.05 0.03 1.62 -0.87 0.00 0.00 176.83 178.47 1kx5 h VAL 114 N 0.34 0.00 0.00 0.95 3.04 -1.93 -1.10 116.25 117.55 1kx5 h VAL 114 Ca 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.24 1kx5 h VAL 114 Cb 1.05 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1kx5 h VAL 114 CO -0.56 0.00 -0.47 0.18 -1.01 0.00 0.00 177.57 175.71 1kx5 n LEU 115 N -2.81 0.60 -4.77 3.16 4.77 -0.07 -4.51 117.00 113.37 1kx5 n LEU 115 Ca -0.02 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.84 1kx5 n LEU 115 Cb 0.08 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1kx5 n LEU 115 CO 0.16 -0.02 0.80 -0.76 -1.33 0.00 0.00 177.39 176.24 1kx5 s LEU 116 N -3.87 3.89 0.42 2.23 1.43 -0.42 -4.96 118.68 117.40 1kx5 s LEU 116 Ca 0.08 2.22 -0.22 0.00 -1.03 0.00 0.00 54.13 55.19 1kx5 s LEU 116 Cb 0.15 -4.41 -0.13 0.00 0.03 0.00 0.00 46.19 41.83 1kx5 s LEU 116 CO 0.68 -1.03 0.45 -2.65 0.23 0.00 0.00 176.35 174.03 1kx5 n PRO 117 N -0.86 0.44 -1.78 1.29 -0.02 -1.26 -4.35 135.00 128.46 1kx5 n PRO 117 Ca 0.09 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1kx5 n PRO 117 Cb 0.50 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1kx5 n PRO 117 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1kx5 n LYS 118 N 0.74 -0.45 0.00 -0.52 2.85 -1.26 -4.54 118.16 114.98 1kx5 n LYS 118 Ca 0.12 0.81 0.00 0.00 -1.05 0.00 0.00 58.31 58.18 1kx5 n LYS 118 Cb 0.40 -2.35 0.00 0.00 -0.65 0.00 0.00 35.03 32.43 1kx5 n LYS 118 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1kx5 n LYS 119 N -0.57 0.00 -3.15 -1.58 4.81 -1.26 -3.95 118.16 112.46 1kx5 n LYS 119 Ca 0.02 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.51 1kx5 n LYS 119 Cb 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.20 1kx5 n LYS 119 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1kx5 s THR 120 N 0.00 -0.39 -0.33 3.15 2.01 -1.26 -4.82 115.64 114.00 1kx5 s THR 120 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1kx5 s THR 120 Cb 0.00 -0.73 0.19 0.00 0.01 0.00 0.00 72.50 71.97 1kx5 s THR 120 CO 0.00 0.00 0.87 -0.70 -0.69 0.00 0.00 174.62 174.10 1kx5 s GLU 121 N 2.94 0.37 0.15 4.92 -6.30 -1.25 -4.99 118.70 114.54 1kx5 s GLU 121 Ca 0.11 0.07 -0.25 0.00 -2.50 0.00 0.00 54.97 52.41 1kx5 s GLU 121 Cb -0.07 0.09 -0.00 0.00 0.00 0.00 0.00 34.13 34.15 1kx5 s GLU 121 CO -0.17 -0.60 1.35 0.45 0.02 0.00 0.00 175.26 176.31 1kx5 n SER 122 N 4.60 -0.85 0.00 -1.70 2.88 -1.26 -4.83 113.62 112.46 1kx5 n SER 122 Ca 0.08 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.17 1kx5 n SER 122 Cb 0.59 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1kx5 n SER 122 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1kx5 n SER 123 N -5.14 0.00 -1.36 -3.46 2.88 -1.26 -4.99 113.62 100.29 1kx5 n SER 123 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1kx5 n SER 123 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1kx5 n SER 123 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1kx5 n LYS 124 N 13.33 -3.81 0.00 -1.46 4.76 -1.26 -4.91 118.16 124.81 1kx5 n LYS 124 Ca 0.00 2.87 0.00 0.00 -2.87 0.00 0.00 58.31 58.31 1kx5 n LYS 124 Cb 0.00 -3.33 0.00 0.00 -1.84 0.00 0.00 35.03 29.86 1kx5 n LYS 124 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1kx5 n SER 125 N -1.34 0.00 0.00 4.39 2.88 -1.26 -4.62 113.62 113.67 1kx5 n SER 125 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1kx5 n SER 125 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1kx5 n SER 125 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1kx5 n LYS 126 N 0.00 0.00 -0.16 -1.46 4.81 -1.26 -4.18 118.16 115.91 1kx5 n LYS 126 Ca 0.00 0.49 0.06 0.00 -0.87 0.00 0.00 58.31 57.99 1kx5 n LYS 126 Cb 0.00 -1.42 0.15 0.00 0.02 0.00 0.00 35.03 33.78 1kx5 n LYS 126 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1kx5 n SER 127 N -1.97 2.84 -0.11 3.14 3.41 -1.26 -5.34 113.62 114.33 1kx5 n SER 127 Ca 0.00 -1.92 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 1kx5 n SER 127 Cb 0.00 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1kx5 n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05