#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1b n GLN 2 N 0.00 2.78 -2.72 5.31 7.27 -1.26 -4.53 117.38 124.23 2k1b n GLN 2 Ca 0.00 -2.92 -0.04 0.00 0.07 0.00 0.00 57.00 54.11 2k1b n GLN 2 Cb 0.00 -3.45 0.02 0.00 2.41 0.00 0.00 30.24 29.22 2k1b n GLN 2 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2k1b n VAL 3 N 6.28 0.00 -2.63 1.69 3.14 -1.26 -5.09 118.33 120.47 2k1b n VAL 3 Ca 0.49 -0.73 -0.42 0.00 -2.96 0.00 0.00 64.34 60.72 2k1b n VAL 3 Cb 0.44 0.89 -0.01 0.00 -1.06 0.00 0.00 33.84 34.10 2k1b n VAL 3 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2k1b s PHE 4 N 0.87 2.79 0.49 1.45 0.08 -1.26 -4.94 117.98 117.46 2k1b s PHE 4 Ca 0.28 -1.39 0.02 0.00 0.12 0.00 0.00 56.93 55.95 2k1b s PHE 4 Cb 0.07 -4.67 -0.02 0.00 -0.57 0.00 0.00 43.02 37.83 2k1b s PHE 4 CO -0.08 -1.79 0.03 0.00 -0.10 0.00 0.00 175.22 173.27 2k1b s ALA 5 N 4.13 3.86 0.63 5.36 0.00 -1.26 -5.06 121.76 129.43 2k1b s ALA 5 Ca 0.49 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 2k1b s ALA 5 Cb 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 2k1b s ALA 5 CO -0.00 -0.08 1.16 0.54 0.00 0.00 0.00 175.76 177.37 2k1b s VAL 6 N -2.94 2.88 0.08 0.00 0.11 -1.26 -4.84 120.40 114.43 2k1b s VAL 6 Ca 0.10 0.48 -0.28 0.00 -2.93 0.00 0.00 61.98 59.35 2k1b s VAL 6 Cb 0.02 -3.08 -0.17 0.00 -1.53 0.00 0.00 36.38 31.62 2k1b s VAL 6 CO 0.06 -0.19 1.66 -0.08 -3.33 0.00 0.00 175.10 173.22 2k1b h GLU 7 N 0.44 -0.44 -1.55 1.54 4.81 -1.65 -3.48 114.58 114.25 2k1b h GLU 7 Ca -0.49 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 59.05 2k1b h GLU 7 Cb 1.27 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 2k1b h GLU 7 CO 0.54 -0.28 0.79 0.45 -0.73 0.00 0.00 179.01 179.78 2k1b s SER 8 N -4.81 -0.11 -0.38 1.04 0.15 -1.19 -5.04 113.70 103.37 2k1b s SER 8 Ca -0.15 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 2k1b s SER 8 Cb 0.05 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 2k1b s SER 8 CO 0.64 -0.32 0.46 -0.63 1.20 0.00 0.00 173.24 174.59 2k1b s ILE 9 N -2.50 5.06 0.07 6.45 1.01 -1.26 -1.01 121.20 129.01 2k1b s ILE 9 Ca 0.12 0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 2k1b s ILE 9 Cb 0.02 -3.98 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 2k1b s ILE 9 CO -0.04 -0.29 1.64 -0.09 0.00 0.00 0.00 174.94 176.16 2k1b h ARG 10 N 8.59 -0.14 -2.92 2.79 1.12 -1.26 -3.41 114.38 119.16 2k1b h ARG 10 Ca -0.28 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.57 2k1b h ARG 10 Cb 1.12 0.03 -0.13 0.00 -0.01 0.00 0.00 29.97 30.98 2k1b h ARG 10 CO 0.77 -0.02 0.16 -1.59 -3.11 0.00 0.00 179.97 176.18 2k1b s LYS 11 N -5.84 1.21 0.23 0.20 -2.85 -1.23 -5.04 119.74 106.42 2k1b s LYS 11 Ca -0.14 -0.40 0.11 0.00 -1.00 0.00 0.00 55.97 54.54 2k1b s LYS 11 Cb 0.05 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.33 2k1b s LYS 11 CO 0.65 -0.50 -0.18 -1.59 0.10 0.00 0.00 175.35 173.83 2k1b s LYS 12 N -3.35 1.74 -0.28 1.78 -2.85 -1.26 -0.37 119.74 115.15 2k1b s LYS 12 Ca -0.01 -1.58 -0.21 0.00 -1.00 0.00 0.00 55.97 53.18 2k1b s LYS 12 Cb -0.01 -1.89 0.10 0.00 -2.06 0.00 0.00 37.83 33.97 2k1b s LYS 12 CO -0.09 0.37 0.81 0.50 0.10 0.00 0.00 175.35 177.04 2k1b s ARG 13 N -3.13 0.66 -0.35 1.78 3.52 -0.51 -4.99 118.95 115.92 2k1b s ARG 13 Ca 0.26 0.94 -0.25 0.00 -0.13 0.00 0.00 55.73 56.55 2k1b s ARG 13 Cb -0.07 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2k1b s ARG 13 CO 0.14 -0.10 0.87 0.08 -0.81 0.00 0.00 175.30 175.47 2k1b s VAL 14 N 0.88 4.66 -0.05 7.11 1.01 -1.26 -1.58 120.40 131.17 2k1b s VAL 14 Ca -0.04 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.01 2k1b s VAL 14 Cb -0.05 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2k1b s VAL 14 CO -0.09 -0.45 0.19 -0.60 0.00 0.00 0.00 175.10 174.15 2k1b s ARG 15 N 3.28 0.35 -1.55 2.72 3.00 -0.43 -4.85 118.95 121.48 2k1b s ARG 15 Ca 0.36 0.03 0.00 0.00 -1.00 0.00 0.00 55.73 55.12 2k1b s ARG 15 Cb -0.13 0.16 0.00 0.00 0.00 0.00 0.00 34.95 34.98 2k1b s ARG 15 CO 0.17 -0.07 0.00 0.36 0.00 0.00 0.00 175.30 175.76 2k1b n LYS 16 N 2.36 -1.52 -1.33 5.12 2.85 -1.26 -0.83 118.16 123.55 2k1b n LYS 16 Ca -0.16 0.86 -0.04 0.00 -1.05 0.00 0.00 58.31 57.92 2k1b n LYS 16 Cb 0.57 -5.24 -0.02 0.00 -0.65 0.00 0.00 35.03 29.70 2k1b n LYS 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k1b n GLY 17 N -0.44 0.61 2.86 2.58 0.00 -1.26 -5.06 105.19 104.48 2k1b n GLY 17 Ca -0.16 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 2k1b n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k1b s LYS 18 N -2.76 0.36 -0.48 1.61 2.47 -0.01 -5.12 119.74 115.80 2k1b s LYS 18 Ca 0.00 0.00 -0.29 0.00 -1.56 0.00 0.00 55.97 54.13 2k1b s LYS 18 Cb 0.00 -0.47 0.03 0.00 -1.46 0.00 0.00 37.83 35.93 2k1b s LYS 18 CO 0.00 -0.07 1.12 0.08 0.16 0.00 0.00 175.35 176.63 2k1b s VAL 19 N 0.72 4.22 0.17 4.02 1.01 -1.26 -1.32 120.40 127.96 2k1b s VAL 19 Ca -0.08 1.15 0.11 0.00 0.00 0.00 0.00 61.98 63.17 2k1b s VAL 19 Cb -0.11 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 2k1b s VAL 19 CO -0.01 -1.02 -0.25 -1.61 0.00 0.00 0.00 175.10 172.21 2k1b s GLU 20 N 4.42 1.47 -0.15 2.72 2.02 -0.62 -2.91 118.70 125.66 2k1b s GLU 20 Ca 0.47 -1.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2k1b s GLU 20 Cb -0.07 -1.87 0.04 0.00 0.10 0.00 0.00 34.13 32.32 2k1b s GLU 20 CO 0.31 0.42 -0.06 0.71 0.02 0.00 0.00 175.26 176.67 2k1b s TYR 21 N -1.40 1.62 -0.38 1.61 1.51 -0.00 -1.43 117.35 118.88 2k1b s TYR 21 Ca 0.18 -0.98 -0.28 0.00 -1.01 0.00 0.00 57.07 54.98 2k1b s TYR 21 Cb -0.09 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2k1b s TYR 21 CO 0.08 -0.59 2.01 -1.17 -1.11 0.00 0.00 175.55 174.77 2k1b s LEU 22 N 1.66 3.43 -0.38 -1.29 2.96 0.51 -0.96 118.68 124.62 2k1b s LEU 22 Ca 0.02 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 54.99 2k1b s LEU 22 Cb -0.14 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.38 2k1b s LEU 22 CO -0.08 -2.08 0.43 0.68 -1.32 0.00 0.00 176.35 173.98 2k1b s VAL 23 N 8.49 5.10 -0.27 1.68 -7.23 -0.45 -0.67 120.40 127.06 2k1b s VAL 23 Ca 0.85 -0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.69 2k1b s VAL 23 Cb -0.22 -3.94 -0.02 0.00 0.56 0.00 0.00 36.38 32.76 2k1b s VAL 23 CO 0.30 -0.25 1.54 -0.54 -0.31 0.00 0.00 175.10 175.84 2k1b s LYS 24 N 2.15 3.77 0.56 4.82 -0.14 -0.18 -3.97 119.74 126.76 2k1b s LYS 24 Ca 0.13 1.47 -0.16 0.00 -1.36 0.00 0.00 55.97 56.06 2k1b s LYS 24 Cb -0.16 -4.01 -0.05 0.00 -1.68 0.00 0.00 37.83 31.92 2k1b s LYS 24 CO 0.13 -1.32 1.03 -1.58 -0.76 0.00 0.00 175.35 172.85 2k1b s TRP 25 N 5.16 3.16 -0.55 3.18 0.52 -1.26 -1.83 118.94 127.31 2k1b s TRP 25 Ca 0.67 1.50 -0.27 0.00 0.02 0.00 0.00 56.10 58.03 2k1b s TRP 25 Cb -0.22 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 2k1b s TRP 25 CO 0.28 -0.83 1.98 0.15 0.02 0.00 0.00 176.95 178.55 2k1b s LYS 26 N -4.04 2.59 0.00 4.98 1.02 -1.26 -1.93 119.74 121.10 2k1b s LYS 26 Ca 0.62 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.50 2k1b s LYS 26 Cb -0.14 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 32.76 2k1b s LYS 26 CO 0.34 -2.76 0.00 0.41 -0.92 0.00 0.00 175.35 172.42 2k1b n GLY 27 N 5.74 0.65 3.63 -3.33 0.00 -1.26 -5.05 105.19 105.57 2k1b n GLY 27 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 2k1b n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k1b s TRP 28 N -2.19 3.27 0.70 1.61 0.52 -0.81 -5.11 118.94 116.93 2k1b s TRP 28 Ca 0.00 0.09 -0.16 0.00 0.02 0.00 0.00 56.10 56.05 2k1b s TRP 28 Cb 0.00 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 30.17 2k1b s TRP 28 CO 0.00 0.10 1.09 -0.35 0.02 0.00 0.00 176.95 177.80 2k1b n PRO 29 N 3.87 0.69 0.00 4.98 -0.04 -1.26 -4.34 135.00 138.89 2k1b n PRO 29 Ca -0.16 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2k1b n PRO 29 Cb 0.52 -2.33 0.11 0.00 -0.04 0.00 0.00 33.50 31.76 2k1b n PRO 29 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2k1b n PRO 30 N -1.94 0.08 -0.04 0.54 -0.04 -1.26 -1.55 135.00 130.80 2k1b n PRO 30 Ca 0.14 0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.72 2k1b n PRO 30 Cb 0.49 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.65 2k1b n PRO 30 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2k1b h LYS 31 N 0.00 0.62 0.00 0.54 2.10 -2.00 -3.03 116.57 114.81 2k1b h LYS 31 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2k1b h LYS 31 Cb 0.02 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2k1b h LYS 31 CO 0.00 0.71 -0.38 1.88 -2.00 0.00 0.00 179.45 179.66 2k1b h TYR 32 N 0.58 0.00 -2.45 0.07 0.05 -1.62 -3.46 116.97 110.13 2k1b h TYR 32 Ca 0.11 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.35 2k1b h TYR 32 Cb 0.51 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.26 2k1b h TYR 32 CO 0.02 0.00 1.18 -1.12 -1.05 0.00 0.00 178.16 177.20 2k1b s SER 33 N -5.40 6.52 0.41 3.88 0.01 -1.15 -4.97 113.70 113.00 2k1b s SER 33 Ca 0.05 2.53 0.08 0.00 1.31 0.00 0.00 55.95 59.92 2k1b s SER 33 Cb 0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2k1b s SER 33 CO 0.70 -1.01 0.52 0.42 0.41 0.00 0.00 173.24 174.28 2k1b s THR 34 N 4.30 3.08 -0.55 1.44 -4.23 -1.25 -4.83 115.64 113.60 2k1b s THR 34 Ca 0.83 -1.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.10 2k1b s THR 34 Cb -0.40 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.49 2k1b s THR 34 CO 0.38 -0.02 0.60 0.26 -0.54 0.00 0.00 174.62 175.29 2k1b s TRP 35 N -2.35 3.10 -0.21 3.99 0.52 -1.26 -1.34 118.94 121.39 2k1b s TRP 35 Ca 0.52 -0.96 -0.15 0.00 0.02 0.00 0.00 56.10 55.54 2k1b s TRP 35 Cb -0.09 -3.76 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 2k1b s TRP 35 CO 0.32 -1.11 0.37 -1.21 0.02 0.00 0.00 176.95 175.33 2k1b s GLU 36 N 2.28 4.16 1.30 4.98 0.41 -0.13 -4.66 118.70 127.05 2k1b s GLU 36 Ca 0.09 0.14 -0.22 0.00 -0.41 0.00 0.00 54.97 54.58 2k1b s GLU 36 Cb -0.25 -3.54 0.33 0.00 -1.78 0.00 0.00 34.13 28.89 2k1b s GLU 36 CO 0.07 -0.02 1.06 -1.25 -0.49 0.00 0.00 175.26 174.62 2k1b s PRO 37 N 1.27 -2.02 0.54 0.39 0.04 -1.26 -0.82 135.00 133.14 2k1b s PRO 37 Ca 0.18 -0.10 0.23 0.00 0.04 0.00 0.00 61.00 61.34 2k1b s PRO 37 Cb -0.15 -1.51 1.48 0.00 0.04 0.00 0.00 34.50 34.37 2k1b s PRO 37 CO 0.07 -4.23 2.16 0.93 0.04 0.00 0.00 177.00 175.97 2k1b h GLU 38 N -2.95 0.00 0.00 4.56 5.08 -1.93 -1.51 114.58 117.83 2k1b h GLU 38 Ca -0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2k1b h GLU 38 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2k1b h GLU 38 CO 0.28 0.05 -0.14 1.05 -1.00 0.00 0.00 179.01 179.25 2k1b h GLU 39 N 0.00 0.00 -0.41 2.33 4.11 -1.91 -3.22 114.58 115.49 2k1b h GLU 39 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k1b h GLU 39 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k1b h GLU 39 CO 0.01 0.14 0.00 0.72 0.07 0.00 0.00 179.01 179.94 2k1b n HIS 40 N -3.19 0.53 -2.81 2.06 8.25 -0.57 -4.94 115.22 114.56 2k1b n HIS 40 Ca 0.02 -0.27 -0.40 0.00 -0.26 0.00 0.00 57.72 56.81 2k1b n HIS 40 Cb 0.48 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 2k1b n HIS 40 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2k1b s ILE 41 N -1.47 4.35 -0.07 1.59 1.01 -1.22 -4.96 121.20 120.44 2k1b s ILE 41 Ca 0.37 1.97 0.13 0.00 0.00 0.00 0.00 60.65 63.12 2k1b s ILE 41 Cb 0.20 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 2k1b s ILE 41 CO 0.28 0.42 1.21 -0.07 0.00 0.00 0.00 174.94 176.78 2k1b h LEU 42 N 4.86 0.00 -7.03 2.97 -0.00 -1.92 -3.47 115.31 110.71 2k1b h LEU 42 Ca -0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.38 2k1b h LEU 42 Cb 1.21 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.66 2k1b h LEU 42 CO 0.69 0.69 0.13 -0.62 -0.00 0.00 0.00 178.44 179.33 2k1b s ASP 43 N -6.35 -0.67 0.56 -0.43 -1.08 -1.26 -5.05 116.67 102.38 2k1b s ASP 43 Ca 0.01 1.04 0.32 0.00 -0.52 0.00 0.00 52.55 53.40 2k1b s ASP 43 Cb 0.08 0.97 1.46 0.00 -1.46 0.00 0.00 42.92 43.97 2k1b s ASP 43 CO 0.79 -0.42 1.81 1.55 0.52 0.00 0.00 175.17 179.41 2k1b h PRO 44 N 4.06 0.00 0.00 4.34 0.13 -2.01 -1.95 132.00 136.57 2k1b h PRO 44 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2k1b h PRO 44 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2k1b h PRO 44 CO 0.23 0.00 -0.25 0.07 -0.23 0.00 0.00 178.00 177.82 2k1b h ARG 45 N 0.00 0.00 0.16 0.86 0.11 -1.99 -2.97 114.38 110.55 2k1b h ARG 45 Ca 0.41 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.27 2k1b h ARG 45 Cb 1.85 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.95 2k1b h ARG 45 CO -0.00 0.25 -0.95 -0.07 0.10 0.00 0.00 179.97 179.29 2k1b h LEU 46 N 0.00 0.57 -0.71 0.08 3.38 -1.77 -1.39 115.31 115.47 2k1b h LEU 46 Ca -0.00 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 56.95 2k1b h LEU 46 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2k1b h LEU 46 CO 0.03 1.46 0.04 1.62 0.09 0.00 0.00 178.44 181.68 2k1b h VAL 47 N -0.23 1.26 0.00 1.22 3.04 -1.63 -2.59 116.25 117.32 2k1b h VAL 47 Ca -0.16 -1.08 -0.11 0.00 -1.01 0.00 0.00 66.70 64.34 2k1b h VAL 47 Cb 1.75 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 2k1b h VAL 47 CO 0.18 0.40 -0.50 0.00 -1.01 0.00 0.00 177.57 176.64 2k1b h MET 48 N 0.96 0.00 -0.29 4.17 -0.00 -1.62 -3.28 114.93 114.87 2k1b h MET 48 Ca 0.18 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.96 2k1b h MET 48 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 2k1b h MET 48 CO 0.02 0.50 0.22 0.00 -0.00 0.00 0.00 176.91 177.65 2k1b h ALA 49 N 1.50 2.19 -0.37 -3.00 0.00 -0.83 0.17 119.26 118.92 2k1b h ALA 49 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2k1b h ALA 49 Cb 1.22 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2k1b h ALA 49 CO 0.07 -0.37 -0.14 -0.92 0.00 0.00 0.00 179.25 177.88 2k1b h TYR 50 N 0.00 -0.34 0.00 0.00 3.20 -1.62 -2.59 116.97 115.62 2k1b h TYR 50 Ca 0.14 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2k1b h TYR 50 Cb 0.58 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2k1b h TYR 50 CO 0.00 -0.22 -2.02 -0.85 -1.64 0.00 0.00 178.16 173.43 2k1b n GLU 51 N -5.34 0.66 -0.09 1.82 0.28 -0.67 -4.68 120.64 112.63 2k1b n GLU 51 Ca 0.02 -0.15 -0.16 0.00 -0.16 0.00 0.00 57.16 56.70 2k1b n GLU 51 Cb 0.25 -1.53 -0.10 0.00 1.43 0.00 0.00 31.44 31.48 2k1b n GLU 51 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2k1b h GLU 52 N 0.00 0.00 -7.37 3.44 4.22 -0.71 -3.48 114.58 110.67 2k1b h GLU 52 Ca -0.09 0.00 -0.45 0.00 0.08 0.00 0.00 59.36 58.90 2k1b h GLU 52 Cb 1.20 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.61 2k1b h GLU 52 CO 0.01 0.80 0.20 0.15 -2.18 0.00 0.00 179.01 177.99 2k1b s LYS 53 N -2.27 0.48 -0.17 1.92 -0.14 -0.98 -4.74 119.74 113.84 2k1b s LYS 53 Ca -0.23 0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.83 2k1b s LYS 53 Cb 0.03 -1.75 0.01 0.00 -1.68 0.00 0.00 37.83 34.45 2k1b s LYS 53 CO 0.52 -2.69 0.06 -1.91 -0.76 0.00 0.00 175.35 170.57 2k1b n GLU 54 N -4.14 -2.50 0.00 1.68 2.13 -1.26 -4.99 120.64 111.56 2k1b n GLU 54 Ca 0.05 2.13 0.10 0.00 0.66 0.00 0.00 57.16 60.10 2k1b n GLU 54 Cb 0.57 -3.72 0.56 0.00 0.27 0.00 0.00 31.44 29.13 2k1b n GLU 54 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11