#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx5 n ARG 2 N 0.00 0.42 -0.49 0.00 5.12 -1.26 -5.01 116.66 115.45 1kx5 n ARG 2 Ca 0.00 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 1kx5 n ARG 2 Cb 0.00 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1kx5 n ARG 2 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1kx5 n THR 3 N -0.15 0.00 0.00 0.55 -2.24 -1.26 -4.90 114.28 106.28 1kx5 n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kx5 n THR 3 Cb 0.14 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1kx5 n THR 3 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kx5 n LYS 4 N -1.61 2.07 -3.42 -0.78 3.00 -1.26 -5.12 118.16 111.04 1kx5 n LYS 4 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1kx5 n LYS 4 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.99 1kx5 n LYS 4 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1kx5 s GLN 5 N 2.95 0.41 0.00 1.64 -2.07 -1.26 -5.02 119.66 116.31 1kx5 s GLN 5 Ca 0.00 0.86 0.00 0.00 -1.82 0.00 0.00 55.36 54.40 1kx5 s GLN 5 Cb 0.00 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 1kx5 s GLN 5 CO 0.00 -0.49 0.00 0.25 -1.32 0.00 0.00 175.29 173.73 1kx5 n THR 6 N 5.39 0.00 -2.25 3.63 -2.24 -1.26 -5.04 114.28 112.51 1kx5 n THR 6 Ca -0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1kx5 n THR 6 Cb 0.50 -0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1kx5 n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kx5 n ALA 7 N -1.74 -0.30 -0.03 6.98 0.00 -1.26 -4.97 120.51 119.19 1kx5 n ALA 7 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 1kx5 n ALA 7 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1kx5 n ALA 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kx5 h ARG 8 N -0.11 0.00 -6.07 0.00 9.65 -1.97 -3.49 114.38 112.38 1kx5 h ARG 8 Ca -0.22 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.00 1kx5 h ARG 8 Cb 1.16 0.00 0.11 0.00 -1.39 0.00 0.00 29.97 29.84 1kx5 h ARG 8 CO 0.25 0.00 -0.39 1.63 2.80 0.00 0.00 179.97 184.26 1kx5 n LYS 9 N -3.51 0.21 0.00 0.20 4.76 -1.26 -4.08 118.16 114.48 1kx5 n LYS 9 Ca -0.03 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1kx5 n LYS 9 Cb 0.09 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1kx5 n LYS 9 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1kx5 n SER 10 N 1.87 0.00 0.00 4.39 2.88 -1.26 -4.79 113.62 116.71 1kx5 n SER 10 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1kx5 n SER 10 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1kx5 n SER 10 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1kx5 n THR 11 N 0.00 0.00 0.00 2.46 5.66 -1.26 0.27 114.28 121.41 1kx5 n THR 11 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kx5 n THR 11 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kx5 n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1kx5 n GLY 12 N 0.00 1.28 0.00 1.09 0.00 -1.26 -4.84 105.19 101.46 1kx5 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kx5 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx5 n GLY 13 N -1.04 -1.05 0.03 -0.02 0.00 0.77 -4.55 105.19 99.34 1kx5 n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kx5 n GLY 13 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1kx5 n LYS 14 N 0.00 0.00 -1.98 1.61 2.85 -1.20 -4.48 118.16 114.97 1kx5 n LYS 14 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 1kx5 n LYS 14 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1kx5 n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kx5 n ALA 15 N 0.03 0.01 -2.30 0.58 0.00 -1.26 -5.02 120.51 112.55 1kx5 n ALA 15 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1kx5 n ALA 15 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 1kx5 n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kx5 s PRO 16 N -2.09 3.80 0.00 0.00 0.04 -1.26 -4.83 135.00 130.65 1kx5 s PRO 16 Ca 0.03 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1kx5 s PRO 16 Cb 0.00 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1kx5 s PRO 16 CO 0.02 0.14 0.00 0.54 0.04 0.00 0.00 177.00 177.74 1kx5 n ARG 17 N -0.77 0.00 -3.71 4.56 5.12 -1.26 -5.11 116.66 115.49 1kx5 n ARG 17 Ca 0.01 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.77 1kx5 n ARG 17 Cb 0.53 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.68 1kx5 n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kx5 s LYS 18 N 0.00 0.01 0.00 5.56 -0.14 -1.26 -4.86 119.74 119.04 1kx5 s LYS 18 Ca 0.00 0.39 0.00 0.00 -1.36 0.00 0.00 55.97 55.00 1kx5 s LYS 18 Cb 0.00 -0.30 0.00 0.00 -1.68 0.00 0.00 37.83 35.85 1kx5 s LYS 18 CO 0.00 -0.25 0.00 0.94 -0.76 0.00 0.00 175.35 175.28 1kx5 n GLN 19 N 4.78 0.00 0.00 1.68 7.27 -1.26 -5.11 117.38 124.74 1kx5 n GLN 19 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 1kx5 n GLN 19 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 1kx5 n GLN 19 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1kx5 n LEU 20 N 0.00 0.00 -0.28 1.69 -0.00 -1.26 -5.05 117.00 112.10 1kx5 n LEU 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1kx5 n LEU 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1kx5 n LEU 20 CO 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 177.39 176.75 1kx5 n ALA 21 N -2.84 -1.93 -0.56 1.47 0.00 -1.26 -4.89 120.51 110.50 1kx5 n ALA 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1kx5 n ALA 21 Cb 0.00 -0.46 0.22 0.00 0.00 0.00 0.00 19.45 19.21 1kx5 n ALA 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kx5 n THR 22 N -1.31 0.00 -0.07 0.00 -1.04 -1.26 -5.01 114.28 105.59 1kx5 n THR 22 Ca 0.00 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.05 61.57 1kx5 n THR 22 Cb 0.46 -0.87 -0.07 0.00 -1.82 0.00 0.00 70.33 68.02 1kx5 n THR 22 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1kx5 n LYS 23 N -3.97 0.90 -1.53 -2.82 4.76 -1.26 -5.10 118.16 109.13 1kx5 n LYS 23 Ca 0.04 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1kx5 n LYS 23 Cb 0.56 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1kx5 n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kx5 n ALA 24 N -2.77 0.00 -1.34 7.82 0.00 -1.26 -5.04 120.51 117.92 1kx5 n ALA 24 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1kx5 n ALA 24 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1kx5 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kx5 n ALA 25 N -3.00 -1.10 0.02 0.00 0.00 -1.11 -4.76 120.51 110.55 1kx5 n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kx5 n ALA 25 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1kx5 n ALA 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1kx5 n ARG 26 N -1.02 0.00 0.00 0.00 0.63 -1.26 -4.96 116.66 110.06 1kx5 n ARG 26 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1kx5 n ARG 26 Cb 0.45 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.18 1kx5 n ARG 26 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1kx5 n LYS 27 N -2.86 2.48 0.00 -0.14 4.81 -1.26 -5.05 118.16 116.14 1kx5 n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1kx5 n LYS 27 Cb 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1kx5 n LYS 27 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1kx5 n SER 28 N -1.04 0.00 -4.05 3.14 2.88 -1.26 -4.98 113.62 108.31 1kx5 n SER 28 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1kx5 n SER 28 Cb 0.13 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1kx5 n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kx5 n ALA 29 N 0.00 -2.35 -1.51 -1.46 0.00 -1.26 -4.52 120.51 109.40 1kx5 n ALA 29 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.78 1kx5 n ALA 29 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 1kx5 n ALA 29 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kx5 n PRO 30 N -4.51 0.31 0.00 0.00 -0.02 -1.26 -4.04 135.00 125.48 1kx5 n PRO 30 Ca -0.11 -0.69 0.00 0.00 -2.02 0.00 0.00 63.50 60.68 1kx5 n PRO 30 Cb 0.49 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1kx5 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kx5 n ALA 31 N 14.51 0.07 -0.46 3.55 0.00 -1.26 -5.10 120.51 131.82 1kx5 n ALA 31 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1kx5 n ALA 31 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1kx5 n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kx5 n THR 32 N -0.02 -1.30 0.00 0.00 -1.04 -1.26 -5.09 114.28 105.58 1kx5 n THR 32 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kx5 n THR 32 Cb 0.11 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 1kx5 n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kx5 n GLY 33 N 1.05 0.00 0.00 3.41 0.00 -1.26 -4.70 105.19 103.68 1kx5 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kx5 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx5 n GLY 34 N 0.00 0.00 7.00 -0.02 0.00 -1.26 -2.73 105.19 108.18 1kx5 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kx5 n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kx5 n VAL 35 N 0.00 0.00 -0.00 1.61 0.31 -1.26 -4.87 118.33 114.12 1kx5 n VAL 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kx5 n VAL 35 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1kx5 n VAL 35 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kx5 n LYS 36 N 0.00 3.27 0.00 5.55 4.01 -1.26 -5.01 118.16 124.72 1kx5 n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1kx5 n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1kx5 n LYS 36 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1kx5 n LYS 37 N 0.00 0.24 -0.55 1.97 4.76 -1.26 -5.00 118.16 118.32 1kx5 n LYS 37 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1kx5 n LYS 37 Cb 0.00 -0.16 -0.02 0.00 -1.84 0.00 0.00 35.03 33.01 1kx5 n LYS 37 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1kx5 n PRO 38 N -0.44 0.00 -2.47 1.97 -0.02 -1.26 -4.80 135.00 127.99 1kx5 n PRO 38 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1kx5 n PRO 38 Cb 0.00 -0.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.96 1kx5 n PRO 38 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1kx5 s HIS 39 N -0.16 3.49 -0.01 6.00 2.46 -1.26 -5.05 115.29 120.75 1kx5 s HIS 39 Ca 0.30 1.41 0.00 0.00 0.47 0.00 0.00 55.06 57.24 1kx5 s HIS 39 Cb -0.42 -3.36 0.01 0.00 -0.13 0.00 0.00 32.58 28.68 1kx5 s HIS 39 CO 0.21 -1.01 -0.00 1.03 -2.47 0.00 0.00 174.74 172.50 1kx5 s ARG 40 N 0.71 0.15 0.47 2.88 0.52 -1.26 -5.14 118.95 117.28 1kx5 s ARG 40 Ca 0.56 0.03 -0.17 0.00 -0.52 0.00 0.00 55.73 55.63 1kx5 s ARG 40 Cb -0.29 -0.25 -0.08 0.00 0.52 0.00 0.00 34.95 34.84 1kx5 s ARG 40 CO 0.31 -0.05 0.93 0.71 0.02 0.00 0.00 175.30 177.21 1kx5 s TYR 41 N 0.48 3.42 0.66 -0.53 1.51 -1.26 -5.03 117.35 116.60 1kx5 s TYR 41 Ca -0.04 1.42 -0.13 0.00 -1.01 0.00 0.00 57.07 57.31 1kx5 s TYR 41 Cb -0.07 -2.73 -0.01 0.00 -0.11 0.00 0.00 41.96 39.04 1kx5 s TYR 41 CO -0.01 -0.24 1.06 1.03 -1.11 0.00 0.00 175.55 176.28 1kx5 s ARG 42 N -3.76 3.03 0.07 -0.62 0.52 -1.26 -4.93 118.95 112.00 1kx5 s ARG 42 Ca 0.58 1.08 -0.32 0.00 -0.52 0.00 0.00 55.73 56.56 1kx5 s ARG 42 Cb -0.10 -2.00 -0.11 0.00 0.52 0.00 0.00 34.95 33.27 1kx5 s ARG 42 CO 0.26 -1.03 1.86 -2.30 0.02 0.00 0.00 175.30 174.11 1kx5 n PRO 43 N -2.70 2.64 0.00 3.54 -0.02 -1.26 -1.60 135.00 135.60 1kx5 n PRO 43 Ca 0.08 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1kx5 n PRO 43 Cb 0.53 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1kx5 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kx5 n GLY 44 N 4.27 1.77 0.21 -1.23 0.00 -1.26 -4.94 105.19 104.01 1kx5 n GLY 44 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1kx5 n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kx5 h THR 45 N 0.00 1.24 -0.00 2.61 2.02 -1.66 -1.40 112.91 115.72 1kx5 h THR 45 Ca 0.00 -0.86 -0.20 0.00 0.77 0.00 0.00 66.41 66.12 1kx5 h THR 45 Cb 0.00 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1kx5 h THR 45 CO 0.00 0.30 -0.87 0.58 0.37 0.00 0.00 175.52 175.90 1kx5 h VAL 46 N 0.50 1.48 -0.65 3.16 2.07 -1.92 -1.67 116.25 119.21 1kx5 h VAL 46 Ca 0.12 -2.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 1kx5 h VAL 46 Cb 0.37 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1kx5 h VAL 46 CO 0.01 0.75 0.33 0.00 0.02 0.00 0.00 177.57 178.68 1kx5 h ALA 47 N 0.96 0.84 -0.50 1.67 0.00 -1.88 0.15 119.26 120.50 1kx5 h ALA 47 Ca -0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1kx5 h ALA 47 Cb 1.49 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1kx5 h ALA 47 CO 0.13 0.38 -0.10 -0.07 0.00 0.00 0.00 179.25 179.60 1kx5 h LEU 48 N 0.90 0.90 -0.94 0.00 3.38 -1.17 -1.02 115.31 117.37 1kx5 h LEU 48 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1kx5 h LEU 48 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1kx5 h LEU 48 CO -0.03 1.02 0.43 -0.09 0.09 0.00 0.00 178.44 179.86 1kx5 h ARG 49 N 0.82 1.19 -0.36 1.13 2.43 -0.65 -2.26 114.38 116.68 1kx5 h ARG 49 Ca 0.13 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 1kx5 h ARG 49 Cb 0.63 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1kx5 h ARG 49 CO 0.04 0.89 -0.35 0.93 -1.51 0.00 0.00 179.97 179.97 1kx5 h GLU 50 N 1.18 0.83 -0.33 0.20 5.08 -0.17 -1.33 114.58 120.03 1kx5 h GLU 50 Ca 0.29 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1kx5 h GLU 50 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1kx5 h GLU 50 CO -0.04 1.05 0.11 0.82 -1.00 0.00 0.00 179.01 179.94 1kx5 h ILE 51 N 0.69 0.89 -0.81 3.13 2.04 -0.93 0.53 117.51 123.05 1kx5 h ILE 51 Ca 0.07 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1kx5 h ILE 51 Cb 0.91 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1kx5 h ILE 51 CO 0.08 0.05 0.37 0.03 0.00 0.00 0.00 178.15 178.68 1kx5 h ARG 52 N 0.25 1.18 0.22 2.37 3.08 -1.30 0.36 114.38 120.54 1kx5 h ARG 52 Ca 0.15 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1kx5 h ARG 52 Cb 0.13 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1kx5 h ARG 52 CO -0.16 0.93 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.47 1kx5 h ARG 53 N 1.17 -0.28 0.00 0.04 2.43 -0.73 -2.89 114.38 114.11 1kx5 h ARG 53 Ca 0.28 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1kx5 h ARG 53 Cb 0.15 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1kx5 h ARG 53 CO -0.03 -0.04 -0.26 1.88 -1.51 0.00 0.00 179.97 180.02 1kx5 h TYR 54 N -0.49 0.00 0.00 2.20 -1.99 -0.72 -2.63 116.97 113.34 1kx5 h TYR 54 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1kx5 h TYR 54 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1kx5 h TYR 54 CO -0.00 0.26 0.00 1.04 -0.00 0.00 0.00 178.16 179.45 1kx5 n GLN 55 N -3.39 0.09 0.07 4.88 6.02 0.10 -2.98 117.38 122.17 1kx5 n GLN 55 Ca 0.00 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 1kx5 n GLN 55 Cb 0.46 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 30.05 1kx5 n GLN 55 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1kx5 n LYS 56 N -1.78 0.62 -3.33 -1.09 4.81 -1.01 -4.96 118.16 111.43 1kx5 n LYS 56 Ca 0.06 0.04 -0.20 0.00 -0.87 0.00 0.00 58.31 57.34 1kx5 n LYS 56 Cb 0.36 -1.74 -0.00 0.00 0.02 0.00 0.00 35.03 33.66 1kx5 n LYS 56 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1kx5 s SER 57 N -5.16 5.25 0.00 3.14 1.04 -1.10 -5.05 113.70 111.83 1kx5 s SER 57 Ca -0.03 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1kx5 s SER 57 Cb 0.11 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1kx5 s SER 57 CO 0.82 -0.80 0.19 0.35 0.98 0.00 0.00 173.24 174.79 1kx5 n THR 58 N -1.75 0.00 -1.75 2.02 -2.24 -1.26 -4.96 114.28 104.35 1kx5 n THR 58 Ca 0.06 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 1kx5 n THR 58 Cb 0.61 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 70.07 1kx5 n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1kx5 n GLU 59 N -0.29 1.61 -1.83 -0.78 0.00 -1.26 -4.93 120.64 113.16 1kx5 n GLU 59 Ca 0.00 0.60 -0.39 0.00 0.00 0.00 0.00 57.16 57.37 1kx5 n GLU 59 Cb 0.05 -2.59 0.03 0.00 0.00 0.00 0.00 31.44 28.93 1kx5 n GLU 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1kx5 s LEU 60 N -3.67 3.99 -0.01 -1.84 1.02 -1.26 -4.94 118.68 111.96 1kx5 s LEU 60 Ca 0.74 2.80 0.19 0.00 0.02 0.00 0.00 54.13 57.88 1kx5 s LEU 60 Cb -0.41 -4.12 -0.25 0.00 0.02 0.00 0.00 46.19 41.43 1kx5 s LEU 60 CO 0.48 -1.34 0.64 0.18 0.02 0.00 0.00 176.35 176.33 1kx5 n LEU 61 N -0.60 0.50 -4.87 1.79 4.77 -1.26 -4.90 117.00 112.42 1kx5 n LEU 61 Ca 0.08 -0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 1kx5 n LEU 61 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1kx5 n LEU 61 CO 0.55 0.12 0.04 -0.63 -1.33 0.00 0.00 177.39 176.14 1kx5 s ILE 62 N -3.07 5.15 0.42 -0.08 1.01 -1.26 -5.05 121.20 118.32 1kx5 s ILE 62 Ca 0.01 0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.77 1kx5 s ILE 62 Cb 0.14 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 1kx5 s ILE 62 CO 0.80 0.31 1.31 -0.13 0.00 0.00 0.00 174.94 177.24 1kx5 s ARG 63 N -1.85 3.89 0.04 2.79 1.81 -1.26 -4.95 118.95 119.41 1kx5 s ARG 63 Ca 0.31 2.17 -0.26 0.00 -1.72 0.00 0.00 55.73 56.23 1kx5 s ARG 63 Cb -0.14 -2.70 -0.17 0.00 -0.45 0.00 0.00 34.95 31.49 1kx5 s ARG 63 CO 0.17 -0.57 1.45 0.87 -0.68 0.00 0.00 175.30 176.55 1kx5 h LYS 64 N 2.55 -0.31 -0.15 3.54 1.79 -1.96 -2.62 116.57 119.40 1kx5 h LYS 64 Ca -0.50 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1kx5 h LYS 64 Cb 1.25 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1kx5 h LYS 64 CO 0.62 -0.06 0.05 1.25 -1.08 0.00 0.00 179.45 180.23 1kx5 h LEU 65 N -0.53 0.22 -0.92 2.94 5.85 -1.99 -0.10 115.31 120.78 1kx5 h LEU 65 Ca -0.03 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.58 1kx5 h LEU 65 Cb 0.39 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1kx5 h LEU 65 CO 0.05 0.35 0.57 -0.65 -0.34 0.00 0.00 178.44 178.42 1kx5 h PRO 66 N 0.08 0.96 -0.67 5.25 0.11 -1.98 -0.34 132.00 135.42 1kx5 h PRO 66 Ca 0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1kx5 h PRO 66 Cb 0.20 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1kx5 h PRO 66 CO -0.00 0.64 0.13 0.35 -0.21 0.00 0.00 178.00 178.90 1kx5 h PHE 67 N 0.99 1.15 -0.47 0.65 3.57 -1.19 -2.37 116.94 119.27 1kx5 h PHE 67 Ca 0.42 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1kx5 h PHE 67 Cb 0.27 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1kx5 h PHE 67 CO -0.02 0.95 0.13 0.37 -2.23 0.00 0.00 178.31 177.51 1kx5 h GLN 68 N 1.03 0.69 -0.20 1.11 4.15 0.60 -1.82 115.11 120.67 1kx5 h GLN 68 Ca 0.21 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.38 1kx5 h GLN 68 Cb 0.41 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1kx5 h GLN 68 CO 0.01 0.61 -0.43 0.00 -1.93 0.00 0.00 178.83 177.09 1kx5 h ARG 69 N 0.68 0.49 -0.40 1.69 3.08 -0.97 -0.94 114.38 117.99 1kx5 h ARG 69 Ca 0.16 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1kx5 h ARG 69 Cb 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1kx5 h ARG 69 CO -0.01 0.83 0.05 1.25 -1.07 0.00 0.00 179.97 181.02 1kx5 h LEU 70 N 0.40 0.66 -0.07 3.04 5.85 -1.03 0.67 115.31 124.82 1kx5 h LEU 70 Ca 0.03 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1kx5 h LEU 70 Cb 0.92 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1kx5 h LEU 70 CO 0.08 0.76 0.01 0.58 -0.34 0.00 0.00 178.44 179.53 1kx5 h VAL 71 N 0.52 0.96 -0.87 1.05 2.07 -1.23 -0.90 116.25 117.86 1kx5 h VAL 71 Ca 0.12 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1kx5 h VAL 71 Cb 0.40 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1kx5 h VAL 71 CO 0.01 0.01 0.54 0.03 0.02 0.00 0.00 177.57 178.18 1kx5 h ARG 72 N 0.03 1.18 -0.12 1.57 3.08 -1.04 -1.01 114.38 118.07 1kx5 h ARG 72 Ca 0.03 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1kx5 h ARG 72 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1kx5 h ARG 72 CO -0.04 0.81 0.05 1.49 -1.07 0.00 0.00 179.97 181.21 1kx5 h GLU 73 N 1.20 0.17 -0.47 0.04 4.81 -0.57 -0.07 114.58 119.68 1kx5 h GLU 73 Ca 0.32 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1kx5 h GLU 73 Cb -0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1kx5 h GLU 73 CO -0.06 0.25 0.25 0.82 -0.73 0.00 0.00 179.01 179.53 1kx5 h ILE 74 N 0.05 1.18 -0.56 2.32 2.04 -1.05 -2.10 117.51 119.39 1kx5 h ILE 74 Ca 0.04 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1kx5 h ILE 74 Cb 0.14 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1kx5 h ILE 74 CO -0.00 0.19 0.24 0.00 0.00 0.00 0.00 178.15 178.58 1kx5 h ALA 75 N 1.09 0.72 -0.98 1.87 0.00 -1.06 -2.32 119.26 118.59 1kx5 h ALA 75 Ca 0.17 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1kx5 h ALA 75 Cb 0.08 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1kx5 h ALA 75 CO -0.02 0.31 0.63 0.37 0.00 0.00 0.00 179.25 180.53 1kx5 h GLN 76 N 0.75 1.04 0.00 0.00 4.15 -0.82 0.19 115.11 120.42 1kx5 h GLN 76 Ca 0.19 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1kx5 h GLN 76 Cb 0.16 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1kx5 h GLN 76 CO -0.02 0.69 -0.13 -0.44 -1.93 0.00 0.00 178.83 177.00 1kx5 h ASP 77 N 1.07 0.00 0.10 -0.69 3.32 -0.82 -3.05 116.42 116.35 1kx5 h ASP 77 Ca 0.44 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.23 1kx5 h ASP 77 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1kx5 h ASP 77 CO -0.20 0.13 -1.34 -0.26 -1.72 0.00 0.00 179.24 175.86 1kx5 h PHE 78 N 0.00 0.40 -2.55 4.55 0.05 -0.60 -3.47 116.94 115.32 1kx5 h PHE 78 Ca -0.00 -0.29 -0.10 0.00 3.82 0.00 0.00 57.97 61.40 1kx5 h PHE 78 Cb 0.40 -0.02 -0.27 0.00 2.00 0.00 0.00 35.95 38.06 1kx5 h PHE 78 CO 0.00 1.52 -0.34 0.21 -0.18 0.00 0.00 178.31 179.53 1kx5 s LYS 79 N -2.46 0.35 0.83 1.51 2.47 0.40 -5.13 119.74 117.72 1kx5 s LYS 79 Ca -0.20 0.95 -0.11 0.00 -1.56 0.00 0.00 55.97 55.05 1kx5 s LYS 79 Cb 0.04 0.20 0.09 0.00 -1.46 0.00 0.00 37.83 36.70 1kx5 s LYS 79 CO 0.75 -0.22 1.09 0.95 0.16 0.00 0.00 175.35 178.09 1kx5 s THR 80 N 2.17 2.96 -1.61 3.43 -4.23 -1.24 -4.13 115.64 112.99 1kx5 s THR 80 Ca -0.05 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1kx5 s THR 80 Cb -0.11 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1kx5 s THR 80 CO -0.13 -0.41 0.00 0.47 -0.54 0.00 0.00 174.62 174.01 1kx5 n ASP 81 N -3.59 -4.99 -4.85 3.99 10.43 -1.26 -5.01 116.55 111.27 1kx5 n ASP 81 Ca 0.07 0.20 -0.32 0.00 2.57 0.00 0.00 54.79 57.31 1kx5 n ASP 81 Cb 0.56 -4.03 -0.06 0.00 1.84 0.00 0.00 41.12 39.43 1kx5 n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1kx5 s LEU 82 N -4.31 4.03 0.31 0.64 1.43 -1.26 -5.09 118.68 114.44 1kx5 s LEU 82 Ca 0.00 1.30 0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1kx5 s LEU 82 Cb 0.00 -4.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 1kx5 s LEU 82 CO 0.00 -0.24 -0.07 -0.13 0.23 0.00 0.00 176.35 176.15 1kx5 s ARG 83 N -3.07 1.96 -0.03 1.70 0.52 -1.26 -5.08 118.95 113.70 1kx5 s ARG 83 Ca 0.55 -1.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.04 1kx5 s ARG 83 Cb -0.10 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1kx5 s ARG 83 CO 0.18 0.22 -0.10 -0.06 0.02 0.00 0.00 175.30 175.57 1kx5 s PHE 84 N -2.50 1.00 0.49 -0.53 0.40 -1.26 -5.12 117.98 110.47 1kx5 s PHE 84 Ca 0.33 -0.25 -0.22 0.00 -0.60 0.00 0.00 56.93 56.19 1kx5 s PHE 84 Cb -0.02 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.74 1kx5 s PHE 84 CO 0.18 -0.10 1.19 -0.65 0.70 0.00 0.00 175.22 176.55 1kx5 s GLN 85 N 0.13 3.55 0.34 0.44 -0.21 -1.26 -4.90 119.66 117.75 1kx5 s GLN 85 Ca -0.02 1.83 0.07 0.00 0.02 0.00 0.00 55.36 57.25 1kx5 s GLN 85 Cb -0.08 -2.29 0.61 0.00 1.00 0.00 0.00 33.01 32.24 1kx5 s GLN 85 CO 0.00 -0.74 1.81 0.66 -2.12 0.00 0.00 175.29 174.91 1kx5 h SER 86 N 1.76 0.29 0.66 5.90 4.64 -2.01 -2.05 113.55 122.74 1kx5 h SER 86 Ca -0.50 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 60.72 1kx5 h SER 86 Cb 1.26 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1kx5 h SER 86 CO 0.59 0.53 -0.11 0.77 -0.87 0.00 0.00 176.83 177.74 1kx5 h SER 87 N 0.27 0.00 -0.45 4.97 4.64 -1.99 -2.02 113.55 118.97 1kx5 h SER 87 Ca 0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1kx5 h SER 87 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1kx5 h SER 87 CO 0.04 0.11 -0.14 0.00 -0.87 0.00 0.00 176.83 175.97 1kx5 h ALA 88 N 1.89 0.62 -0.42 5.18 0.00 -1.73 -0.31 119.26 124.49 1kx5 h ALA 88 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1kx5 h ALA 88 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kx5 h ALA 88 CO 0.01 0.54 -0.24 0.28 0.00 0.00 0.00 179.25 179.85 1kx5 h VAL 89 N 0.72 1.27 -0.40 0.00 2.07 -1.42 -1.90 116.25 116.61 1kx5 h VAL 89 Ca 0.11 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1kx5 h VAL 89 Cb 0.69 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1kx5 h VAL 89 CO 0.05 0.47 -0.10 0.24 0.02 0.00 0.00 177.57 178.26 1kx5 h MET 90 N 0.74 0.69 -0.37 1.57 2.86 -1.25 -1.00 114.93 118.17 1kx5 h MET 90 Ca 0.09 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1kx5 h MET 90 Cb 0.81 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1kx5 h MET 90 CO 0.07 0.77 0.20 0.00 1.06 0.00 0.00 176.91 179.01 1kx5 h ALA 91 N 1.26 0.48 -0.86 6.32 0.00 -0.95 0.71 119.26 126.22 1kx5 h ALA 91 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1kx5 h ALA 91 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1kx5 h ALA 91 CO 0.03 0.01 0.43 -0.07 0.00 0.00 0.00 179.25 179.65 1kx5 h LEU 92 N 0.47 1.11 -0.36 0.00 3.38 -1.12 -1.29 115.31 117.51 1kx5 h LEU 92 Ca 0.13 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1kx5 h LEU 92 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1kx5 h LEU 92 CO -0.02 0.92 -0.30 -0.61 0.09 0.00 0.00 178.44 178.52 1kx5 h GLN 93 N 1.22 0.84 -0.29 1.13 4.15 -0.75 0.42 115.11 121.84 1kx5 h GLN 93 Ca 0.30 -0.42 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1kx5 h GLN 93 Cb 0.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1kx5 h GLN 93 CO -0.04 1.06 0.16 0.93 -1.93 0.00 0.00 178.83 179.01 1kx5 h GLU 94 N 0.64 0.40 -0.55 1.69 4.39 -0.72 -0.11 114.58 120.32 1kx5 h GLU 94 Ca 0.06 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1kx5 h GLU 94 Cb 0.88 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1kx5 h GLU 94 CO 0.08 0.34 0.13 0.00 -1.16 0.00 0.00 179.01 178.40 1kx5 h ALA 95 N 1.03 0.72 -0.47 3.43 0.00 -1.15 -1.66 119.26 121.16 1kx5 h ALA 95 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1kx5 h ALA 95 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1kx5 h ALA 95 CO -0.02 0.42 0.15 0.77 0.00 0.00 0.00 179.25 180.57 1kx5 h SER 96 N 0.77 0.69 -0.26 0.00 0.02 -0.72 -0.47 113.55 113.58 1kx5 h SER 96 Ca 0.17 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1kx5 h SER 96 Cb 0.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1kx5 h SER 96 CO 0.00 0.71 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.68 1kx5 h GLU 97 N 0.63 0.80 -0.52 3.45 5.08 -0.95 -1.30 114.58 121.78 1kx5 h GLU 97 Ca 0.15 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1kx5 h GLU 97 Cb 0.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1kx5 h GLU 97 CO -0.00 1.05 0.04 0.00 -1.00 0.00 0.00 179.01 179.09 1kx5 h ALA 98 N 0.90 1.09 -0.17 3.43 0.00 -1.21 -0.19 119.26 123.11 1kx5 h ALA 98 Ca 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1kx5 h ALA 98 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1kx5 h ALA 98 CO 0.09 0.58 0.07 -0.92 0.00 0.00 0.00 179.25 179.08 1kx5 h TYR 99 N 0.80 0.25 -0.41 0.00 3.20 -0.89 -2.08 116.97 117.84 1kx5 h TYR 99 Ca 0.16 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1kx5 h TYR 99 Cb 0.43 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1kx5 h TYR 99 CO 0.02 0.30 0.02 -0.07 -1.64 0.00 0.00 178.16 176.79 1kx5 h LEU 100 N 0.13 0.69 -0.43 2.82 3.38 -0.96 -0.47 115.31 120.46 1kx5 h LEU 100 Ca 0.06 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1kx5 h LEU 100 Cb 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1kx5 h LEU 100 CO -0.01 0.82 0.26 0.58 0.09 0.00 0.00 178.44 180.18 1kx5 h VAL 101 N 0.54 1.06 -0.48 1.22 2.07 -1.00 0.19 116.25 119.84 1kx5 h VAL 101 Ca 0.12 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1kx5 h VAL 101 Cb 0.45 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1kx5 h VAL 101 CO 0.02 0.10 0.08 0.00 0.02 0.00 0.00 177.57 177.79 1kx5 h ALA 102 N 1.18 1.24 -0.41 1.67 0.00 -1.19 -1.15 119.26 120.61 1kx5 h ALA 102 Ca 0.17 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1kx5 h ALA 102 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1kx5 h ALA 102 CO -0.07 0.52 -0.28 1.25 0.00 0.00 0.00 179.25 180.67 1kx5 h LEU 103 N 0.72 0.92 -1.41 0.00 5.85 -0.53 -2.17 115.31 118.70 1kx5 h LEU 103 Ca 0.16 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1kx5 h LEU 103 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1kx5 h LEU 103 CO 0.00 1.13 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.78 1kx5 h PHE 104 N 0.75 0.15 -0.39 1.25 0.05 -0.09 0.65 116.94 119.31 1kx5 h PHE 104 Ca 0.09 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 1kx5 h PHE 104 Cb 0.84 -0.04 -0.02 0.00 2.00 0.00 0.00 35.95 38.73 1kx5 h PHE 104 CO 0.05 0.34 0.12 0.93 -0.18 0.00 0.00 178.31 179.57 1kx5 h GLU 105 N 0.14 0.60 -0.49 1.51 5.08 -0.83 -0.28 114.58 120.32 1kx5 h GLU 105 Ca 0.03 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1kx5 h GLU 105 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1kx5 h GLU 105 CO 0.03 0.62 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.13 1kx5 h ASP 106 N 0.48 0.86 -0.50 1.42 3.32 -0.81 -2.47 116.42 118.72 1kx5 h ASP 106 Ca 0.12 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1kx5 h ASP 106 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1kx5 h ASP 106 CO -0.00 0.97 0.21 0.74 -1.72 0.00 0.00 179.24 179.44 1kx5 h THR 107 N 0.79 1.21 -0.67 0.35 2.02 -0.79 -1.92 112.91 113.90 1kx5 h THR 107 Ca 0.13 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1kx5 h THR 107 Cb 0.59 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1kx5 h THR 107 CO 0.04 0.24 0.41 -1.13 0.37 0.00 0.00 175.52 175.45 1kx5 h ASN 108 N 0.66 0.79 -0.79 4.18 -1.24 -0.86 -1.20 115.58 117.13 1kx5 h ASN 108 Ca 0.17 -0.05 0.05 0.00 0.71 0.00 0.00 56.30 57.18 1kx5 h ASN 108 Cb 0.18 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 38.98 1kx5 h ASN 108 CO -0.02 0.61 0.52 -0.07 -1.29 0.00 0.00 177.43 177.18 1kx5 h LEU 109 N 0.91 0.80 -0.42 0.34 4.07 -1.11 -0.57 115.31 119.33 1kx5 h LEU 109 Ca 0.24 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.05 1kx5 h LEU 109 Cb -0.05 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1kx5 h LEU 109 CO -0.05 0.53 -0.34 0.00 -1.08 0.00 0.00 178.44 177.50 1kx5 h ALA 111 N 0.80 0.37 -0.61 0.00 0.00 -0.81 -2.63 119.26 116.39 1kx5 h ALA 111 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1kx5 h ALA 111 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1kx5 h ALA 111 CO 0.09 -0.01 0.16 0.82 0.00 0.00 0.00 179.25 180.31 1kx5 h ILE 112 N 0.30 1.24 -0.68 0.00 2.04 -1.05 -0.83 117.51 118.53 1kx5 h ILE 112 Ca 0.09 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1kx5 h ILE 112 Cb 0.22 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1kx5 h ILE 112 CO -0.00 0.33 0.45 -0.74 0.00 0.00 0.00 178.15 178.18 1kx5 h HIS 113 N 0.91 0.75 -0.24 1.37 2.76 -0.75 -0.60 115.15 119.34 1kx5 h HIS 113 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1kx5 h HIS 113 Cb 0.31 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1kx5 h HIS 113 CO 0.02 0.42 0.00 0.00 -1.30 0.00 0.00 177.93 177.07 1kx5 n ALA 114 N -2.45 2.62 -2.51 5.26 0.00 -0.78 -4.89 120.51 117.76 1kx5 n ALA 114 Ca 0.09 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 1kx5 n ALA 114 Cb 0.17 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.63 1kx5 n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kx5 n LYS 115 N 0.25 -2.10 -4.49 0.00 5.02 -0.23 -5.03 118.16 111.58 1kx5 n LYS 115 Ca 0.09 0.56 -0.24 0.00 -2.02 0.00 0.00 58.31 56.70 1kx5 n LYS 115 Cb 0.33 -4.68 -0.10 0.00 -0.02 0.00 0.00 35.03 30.55 1kx5 n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1kx5 s ARG 116 N -4.96 1.69 0.00 1.97 0.52 -0.39 -5.00 118.95 112.78 1kx5 s ARG 116 Ca 0.10 -1.84 0.01 0.00 -0.52 0.00 0.00 55.73 53.48 1kx5 s ARG 116 Cb -0.05 -1.53 0.01 0.00 0.52 0.00 0.00 34.95 33.90 1kx5 s ARG 116 CO 0.13 0.15 0.51 1.33 0.02 0.00 0.00 175.30 177.44 1kx5 n VAL 117 N -0.68 0.00 -3.81 3.52 0.24 -1.26 -3.12 118.33 113.22 1kx5 n VAL 117 Ca -0.05 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.39 1kx5 n VAL 117 Cb 0.63 1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 33.89 1kx5 n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1kx5 s THR 118 N -0.11 4.42 0.35 3.34 2.01 -1.26 -5.01 115.64 119.39 1kx5 s THR 118 Ca 0.01 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 1kx5 s THR 118 Cb 0.01 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 1kx5 s THR 118 CO 0.01 0.36 0.97 0.27 -0.69 0.00 0.00 174.62 175.54 1kx5 s ILE 119 N 1.41 4.11 0.16 1.82 -4.36 -1.26 -4.86 121.20 118.21 1kx5 s ILE 119 Ca 0.05 1.66 0.02 0.00 -0.26 0.00 0.00 60.65 62.13 1kx5 s ILE 119 Cb -0.15 -3.88 -0.05 0.00 1.25 0.00 0.00 42.46 39.64 1kx5 s ILE 119 CO 0.04 0.06 -0.02 -0.04 0.24 0.00 0.00 174.94 175.21 1kx5 s MET 120 N -2.29 1.06 0.37 0.37 -1.94 -1.26 -5.04 119.30 110.56 1kx5 s MET 120 Ca 0.53 -1.49 0.13 0.00 -1.71 0.00 0.00 55.69 53.15 1kx5 s MET 120 Cb -0.18 -0.31 0.95 0.00 2.01 0.00 0.00 34.83 37.29 1kx5 s MET 120 CO 0.24 -0.08 1.81 -1.35 -0.01 0.00 0.00 175.02 175.63 1kx5 h PRO 121 N 2.75 0.54 0.00 2.03 0.11 -2.00 0.08 132.00 135.50 1kx5 h PRO 121 Ca -0.36 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 1kx5 h PRO 121 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1kx5 h PRO 121 CO 0.63 0.36 -0.13 1.57 -0.21 0.00 0.00 178.00 180.22 1kx5 h LYS 122 N 0.55 0.00 -0.12 1.05 2.10 -1.98 -1.00 116.57 117.17 1kx5 h LYS 122 Ca 0.53 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 59.02 1kx5 h LYS 122 Cb 1.11 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1kx5 h LYS 122 CO -0.27 0.13 -0.56 -0.44 -2.00 0.00 0.00 179.45 176.31 1kx5 h ASP 123 N 0.00 0.70 -0.49 7.07 3.32 -1.32 -0.99 116.42 124.71 1kx5 h ASP 123 Ca -0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.41 1kx5 h ASP 123 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1kx5 h ASP 123 CO 0.02 1.22 0.29 0.40 -1.72 0.00 0.00 179.24 179.45 1kx5 h ILE 124 N 0.23 1.16 -0.63 0.35 2.04 -1.21 -2.07 117.51 117.37 1kx5 h ILE 124 Ca -0.04 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1kx5 h ILE 124 Cb 1.20 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1kx5 h ILE 124 CO 0.12 0.16 0.36 1.56 0.00 0.00 0.00 178.15 180.35 1kx5 h GLN 125 N 0.66 0.87 -0.33 2.37 4.20 -1.20 -0.89 115.11 120.79 1kx5 h GLN 125 Ca 0.18 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1kx5 h GLN 125 Cb 0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1kx5 h GLN 125 CO -0.03 0.64 0.07 1.25 -0.67 0.00 0.00 178.83 180.09 1kx5 h LEU 126 N 0.86 0.51 -0.53 1.46 5.85 -1.05 -1.17 115.31 121.24 1kx5 h LEU 126 Ca 0.22 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1kx5 h LEU 126 Cb 0.01 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1kx5 h LEU 126 CO -0.04 0.62 0.30 0.00 -0.34 0.00 0.00 178.44 178.98 1kx5 h ALA 127 N 0.91 0.67 -0.15 1.25 0.00 -1.14 -0.24 119.26 120.57 1kx5 h ALA 127 Ca 0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1kx5 h ALA 127 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kx5 h ALA 127 CO 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 179.25 179.16 1kx5 h ARG 128 N 0.71 0.28 -0.24 0.00 3.08 -1.08 -0.94 114.38 116.18 1kx5 h ARG 128 Ca 0.19 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1kx5 h ARG 128 Cb 0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1kx5 h ARG 128 CO -0.03 0.54 -0.24 -0.09 -1.07 0.00 0.00 179.97 179.08 1kx5 h ARG 129 N 0.25 0.59 -0.44 0.04 2.43 -0.74 0.80 114.38 117.31 1kx5 h ARG 129 Ca 0.04 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1kx5 h ARG 129 Cb 0.63 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1kx5 h ARG 129 CO 0.05 0.91 -0.09 0.82 -1.51 0.00 0.00 179.97 180.14 1kx5 h ILE 130 N 0.30 1.25 0.00 1.20 2.04 -0.84 -2.10 117.51 119.37 1kx5 h ILE 130 Ca 0.04 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1kx5 h ILE 130 Cb 0.80 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1kx5 h ILE 130 CO 0.06 0.39 -0.01 0.03 0.00 0.00 0.00 178.15 178.62 1kx5 h ARG 131 N 0.71 0.00 0.00 2.37 3.08 -1.17 -3.46 114.38 115.91 1kx5 h ARG 131 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1kx5 h ARG 131 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1kx5 h ARG 131 CO 0.04 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1kx5 n GLY 132 N -0.75 0.75 0.20 0.04 0.00 -0.79 -4.93 105.19 99.72 1kx5 n GLY 132 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1kx5 n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kx5 h GLU 133 N 2.33 0.00 0.00 1.61 5.08 -1.08 -3.40 114.58 119.12 1kx5 h GLU 133 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1kx5 h GLU 133 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1kx5 h GLU 133 CO 0.00 0.06 -1.04 0.54 -1.00 0.00 0.00 179.01 177.58 1kx5 n ARG 134 N -3.09 0.02 0.00 2.33 5.12 -0.95 -4.98 116.66 115.11 1kx5 n ARG 134 Ca 0.03 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1kx5 n ARG 134 Cb 0.56 -0.71 0.00 0.00 -1.16 0.00 0.00 32.46 31.15 1kx5 n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70