#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 -3.38 -1.01 5.31 7.27 -1.26 -4.93 117.38 119.38 2k1b n GLN 2 Ca 0.00 0.86 -0.22 0.00 0.07 0.00 0.00 57.00 57.71 2k1b n GLN 2 Cb 0.00 -5.83 0.09 0.00 2.41 0.00 0.00 30.24 26.91 2k1b n GLN 2 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2k1b n VAL 3 N -3.45 2.95 -2.31 1.69 0.24 -1.26 -4.93 118.33 111.26 2k1b n VAL 3 Ca -0.13 -1.91 -0.36 0.00 -2.04 0.00 0.00 64.34 59.91 2k1b n VAL 3 Cb 0.63 -1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 31.96 2k1b n VAL 3 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2k1b s PHE 4 N -2.60 2.10 0.33 6.34 0.40 -1.26 -4.89 117.98 118.40 2k1b s PHE 4 Ca 0.44 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.88 2k1b s PHE 4 Cb 0.36 -4.37 -0.02 0.00 0.51 0.00 0.00 43.02 39.49 2k1b s PHE 4 CO 0.03 -1.97 0.32 0.00 0.70 0.00 0.00 175.22 174.30 2k1b n ALA 5 N 11.26 0.51 -1.42 5.36 0.00 -1.26 -5.00 120.51 129.96 2k1b n ALA 5 Ca 0.28 -1.88 -0.35 0.00 0.00 0.00 0.00 53.44 51.49 2k1b n ALA 5 Cb 0.50 1.52 0.09 0.00 0.00 0.00 0.00 19.45 21.55 2k1b n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k1b s VAL 6 N -3.24 2.33 0.04 0.00 0.11 -1.26 -4.88 120.40 113.50 2k1b s VAL 6 Ca 0.38 0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 59.38 2k1b s VAL 6 Cb 0.01 -2.79 -0.11 0.00 -1.53 0.00 0.00 36.38 31.96 2k1b s VAL 6 CO 0.27 -0.08 1.33 -0.08 -3.33 0.00 0.00 175.10 173.21 2k1b h GLU 7 N -0.14 -0.70 -2.34 1.54 4.57 -1.88 -3.48 114.58 112.15 2k1b h GLU 7 Ca -0.48 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 2k1b h GLU 7 Cb 1.30 0.16 -0.16 0.00 -0.16 0.00 0.00 28.75 29.88 2k1b h GLU 7 CO 0.50 -0.47 0.27 -1.12 -1.18 0.00 0.00 179.01 177.02 2k1b s SER 8 N -3.27 -0.56 -0.31 1.04 0.01 -1.23 -5.05 113.70 104.33 2k1b s SER 8 Ca -0.11 0.34 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 2k1b s SER 8 Cb 0.02 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.75 2k1b s SER 8 CO 0.35 -0.71 0.56 -0.63 0.41 0.00 0.00 173.24 173.22 2k1b s ILE 9 N -2.32 4.99 -0.05 1.44 1.01 -1.26 -1.61 121.20 123.40 2k1b s ILE 9 Ca -0.04 0.66 -0.27 0.00 0.00 0.00 0.00 60.65 61.00 2k1b s ILE 9 Cb -0.01 -3.95 -0.22 0.00 0.01 0.00 0.00 42.46 38.30 2k1b s ILE 9 CO -0.01 -0.12 1.14 -0.09 0.00 0.00 0.00 174.94 175.85 2k1b h ARG 10 N 8.27 0.00 -3.20 2.79 1.12 -1.44 -3.46 114.38 118.46 2k1b h ARG 10 Ca -0.28 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.57 2k1b h ARG 10 Cb 1.13 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.97 2k1b h ARG 10 CO 0.77 0.62 0.08 -1.59 -3.11 0.00 0.00 179.97 176.74 2k1b s LYS 11 N -3.73 1.28 0.47 0.20 -2.85 -1.23 -4.81 119.74 109.07 2k1b s LYS 11 Ca -0.17 -0.68 0.06 0.00 -1.00 0.00 0.00 55.97 54.19 2k1b s LYS 11 Cb 0.00 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 2k1b s LYS 11 CO 0.68 -0.54 0.27 -1.59 0.10 0.00 0.00 175.35 174.27 2k1b s LYS 12 N -3.81 2.28 -0.24 1.78 -2.85 -1.26 -0.13 119.74 115.51 2k1b s LYS 12 Ca 0.04 -1.90 -0.16 0.00 -1.00 0.00 0.00 55.97 52.95 2k1b s LYS 12 Cb -0.00 -2.05 0.07 0.00 -2.06 0.00 0.00 37.83 33.79 2k1b s LYS 12 CO -0.09 -0.32 0.61 0.50 0.10 0.00 0.00 175.35 176.15 2k1b s ARG 13 N -4.07 0.64 -0.37 1.78 3.52 0.03 -4.91 118.95 115.57 2k1b s ARG 13 Ca 0.37 1.03 -0.24 0.00 -0.13 0.00 0.00 55.73 56.75 2k1b s ARG 13 Cb 0.00 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 2k1b s ARG 13 CO 0.21 -0.13 0.85 0.08 -0.81 0.00 0.00 175.30 175.50 2k1b s VAL 14 N 1.23 4.65 -0.12 7.11 1.01 -1.26 -1.00 120.40 132.02 2k1b s VAL 14 Ca -0.07 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.86 2k1b s VAL 14 Cb -0.06 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2k1b s VAL 14 CO -0.13 -0.50 0.26 -0.60 0.00 0.00 0.00 175.10 174.13 2k1b s ARG 15 N 3.30 0.20 -1.53 2.72 3.00 -0.36 -4.85 118.95 121.44 2k1b s ARG 15 Ca 0.35 0.61 0.00 0.00 -1.00 0.00 0.00 55.73 55.69 2k1b s ARG 15 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 34.95 34.74 2k1b s ARG 15 CO 0.18 -0.20 0.00 0.36 0.00 0.00 0.00 175.30 175.65 2k1b n LYS 16 N 4.54 -1.74 -1.16 5.12 2.85 -1.26 -0.96 118.16 125.55 2k1b n LYS 16 Ca -0.20 0.86 -0.03 0.00 -1.05 0.00 0.00 58.31 57.89 2k1b n LYS 16 Cb 0.52 -5.36 -0.01 0.00 -0.65 0.00 0.00 35.03 29.53 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 -0.68 0.56 2.86 2.58 0.00 -1.26 -5.05 105.19 104.22 2k1b n GLY 17 Ca -0.18 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.39 0.94 -0.49 1.61 2.47 -0.13 -5.11 119.74 116.63 2k1b s LYS 18 Ca 0.00 -0.08 -0.29 0.00 -1.56 0.00 0.00 55.97 54.04 2k1b s LYS 18 Cb 0.00 -1.05 0.03 0.00 -1.46 0.00 0.00 37.83 35.35 2k1b s LYS 18 CO 0.00 -0.18 1.12 0.08 0.16 0.00 0.00 175.35 176.54 2k1b s VAL 19 N 1.38 4.21 -0.11 4.02 1.01 -1.26 -1.22 120.40 128.42 2k1b s VAL 19 Ca -0.03 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 2k1b s VAL 19 Cb -0.13 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2k1b s VAL 19 CO -0.03 -1.04 0.06 -1.61 0.00 0.00 0.00 175.10 172.48 2k1b s GLU 20 N 4.45 3.26 -0.31 2.72 2.02 -0.17 -2.44 118.70 128.24 2k1b s GLU 20 Ca 0.46 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 55.10 2k1b s GLU 20 Cb -0.07 -2.98 0.03 0.00 0.10 0.00 0.00 34.13 31.20 2k1b s GLU 20 CO 0.31 0.68 0.05 0.71 0.02 0.00 0.00 175.26 177.03 2k1b s TYR 21 N -0.79 3.20 -0.40 1.61 1.51 -0.39 -0.79 117.35 121.30 2k1b s TYR 21 Ca 0.13 -1.44 -0.27 0.00 -1.01 0.00 0.00 57.07 54.47 2k1b s TYR 21 Cb -0.12 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2k1b s TYR 21 CO 0.03 -0.71 2.02 -1.17 -1.11 0.00 0.00 175.55 174.60 2k1b s LEU 22 N 1.38 3.42 -0.23 -1.29 2.96 0.81 -0.83 118.68 124.91 2k1b s LEU 22 Ca -0.01 1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.98 2k1b s LEU 22 Cb -0.19 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2k1b s LEU 22 CO 0.01 -2.14 0.10 0.68 -1.32 0.00 0.00 176.35 173.67 2k1b s VAL 23 N 8.71 4.75 -0.23 1.68 -7.23 -0.70 -1.00 120.40 126.38 2k1b s VAL 23 Ca 0.85 -0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.76 2k1b s VAL 23 Cb -0.21 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 2k1b s VAL 23 CO 0.30 0.37 0.71 -0.75 -0.31 0.00 0.00 175.10 175.42 2k1b s LYS 24 N 1.13 4.18 0.34 4.82 2.36 -0.63 -3.23 119.74 128.70 2k1b s LYS 24 Ca 0.05 0.74 -0.25 0.00 -2.55 0.00 0.00 55.97 53.96 2k1b s LYS 24 Cb -0.14 -3.62 -0.10 0.00 -1.05 0.00 0.00 37.83 32.92 2k1b s LYS 24 CO 0.04 -0.39 0.93 -1.58 1.55 0.00 0.00 175.35 175.90 2k1b s TRP 25 N 2.41 3.62 0.00 4.03 0.52 -1.26 -3.26 118.94 125.00 2k1b s TRP 25 Ca 0.31 1.72 0.00 0.00 0.02 0.00 0.00 56.10 58.15 2k1b s TRP 25 Cb -0.16 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 2k1b s TRP 25 CO 0.09 0.16 1.00 1.63 0.02 0.00 0.00 176.95 179.85 2k1b n LYS 26 N 0.35 0.00 -0.94 4.98 5.02 -1.26 -2.46 118.16 123.85 2k1b n LYS 26 Ca 0.03 0.70 -0.20 0.00 -2.02 0.00 0.00 58.31 56.81 2k1b n LYS 26 Cb 0.51 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.10 2k1b n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k1b n GLY 27 N -1.00 4.24 2.87 0.72 0.00 -1.26 -4.87 105.19 105.90 2k1b n GLY 27 Ca 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.38 0.15 0.90 1.61 0.52 -1.03 -5.17 118.94 113.54 2k1b s TRP 28 Ca 0.41 -0.01 -0.10 0.00 0.02 0.00 0.00 56.10 56.42 2k1b s TRP 28 Cb 0.33 -0.15 0.13 0.00 -1.15 0.00 0.00 33.47 32.63 2k1b s TRP 28 CO 0.03 -0.03 1.12 -1.25 0.02 0.00 0.00 176.95 176.84 2k1b s PRO 29 N 0.24 1.17 0.00 4.98 0.04 -1.26 -4.38 135.00 135.78 2k1b s PRO 29 Ca -0.02 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2k1b s PRO 29 Cb -0.04 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2k1b s PRO 29 CO -0.01 -2.46 0.42 -0.35 0.04 0.00 0.00 177.00 174.64 2k1b n PRO 30 N -4.10 0.47 0.11 0.56 -0.04 -1.26 -1.82 135.00 128.91 2k1b n PRO 30 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2k1b n PRO 30 Cb 0.53 -1.05 0.04 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.12 0.00 -0.00 0.54 2.10 -2.00 -3.25 116.57 114.08 2k1b h LYS 31 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k1b h LYS 31 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2k1b h LYS 31 CO 0.00 0.73 -0.34 0.66 -2.00 0.00 0.00 179.45 178.50 2k1b n TYR 32 N -3.47 0.00 -1.73 0.07 4.01 -0.76 -4.89 117.16 110.39 2k1b n TYR 32 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2k1b n TYR 32 Cb 0.76 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 2k1b n TYR 32 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2k1b s SER 33 N -2.99 5.32 0.21 7.72 1.04 -1.23 -4.87 113.70 118.91 2k1b s SER 33 Ca 0.12 1.44 0.02 0.00 0.48 0.00 0.00 55.95 58.02 2k1b s SER 33 Cb 0.18 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 2k1b s SER 33 CO 0.64 -2.14 0.36 0.42 0.98 0.00 0.00 173.24 173.51 2k1b s THR 34 N 8.88 5.25 -0.69 2.02 -4.23 -1.20 -4.82 115.64 120.85 2k1b s THR 34 Ca 0.92 -0.68 -0.25 0.00 -1.18 0.00 0.00 61.69 60.50 2k1b s THR 34 Cb -0.25 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 69.85 2k1b s THR 34 CO 0.32 -0.24 1.11 0.26 -0.54 0.00 0.00 174.62 175.52 2k1b s TRP 35 N -1.91 2.50 -0.41 3.99 0.52 -1.26 -1.71 118.94 120.65 2k1b s TRP 35 Ca 0.36 -0.30 -0.17 0.00 0.02 0.00 0.00 56.10 56.02 2k1b s TRP 35 Cb -0.10 -4.44 0.02 0.00 -1.15 0.00 0.00 33.47 27.80 2k1b s TRP 35 CO 0.30 -1.83 0.40 -1.21 0.02 0.00 0.00 176.95 174.62 2k1b s GLU 36 N 4.82 3.10 1.38 4.98 0.41 -0.01 -4.74 118.70 128.64 2k1b s GLU 36 Ca 0.28 -0.80 -0.21 0.00 -0.41 0.00 0.00 54.97 53.84 2k1b s GLU 36 Cb -0.13 -3.96 0.36 0.00 -1.78 0.00 0.00 34.13 28.62 2k1b s GLU 36 CO 0.13 -0.80 0.94 -1.25 -0.49 0.00 0.00 175.26 173.78 2k1b s PRO 37 N 2.02 -2.65 0.37 0.39 0.04 -1.26 -1.26 135.00 132.66 2k1b s PRO 37 Ca 0.10 0.34 0.26 0.00 0.04 0.00 0.00 61.00 61.74 2k1b s PRO 37 Cb -0.17 -1.39 1.36 0.00 0.04 0.00 0.00 34.50 34.33 2k1b s PRO 37 CO 0.13 -4.74 1.79 1.05 0.04 0.00 0.00 177.00 175.27 2k1b h GLU 38 N -3.33 0.00 0.00 4.56 -0.00 -1.86 -1.08 114.58 112.87 2k1b h GLU 38 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2k1b h GLU 38 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.09 2k1b h GLU 38 CO 0.34 0.00 -0.31 -0.85 -0.00 0.00 0.00 179.01 178.19 2k1b n GLU 39 N -2.41 0.24 -0.24 1.06 0.28 -1.26 -3.85 120.64 114.45 2k1b n GLU 39 Ca -0.01 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.21 2k1b n GLU 39 Cb 0.07 -1.71 0.22 0.00 1.43 0.00 0.00 31.44 31.46 2k1b n GLU 39 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2k1b n HIS 40 N -2.08 0.64 -2.65 -1.84 8.25 -0.41 -5.00 115.22 112.13 2k1b n HIS 40 Ca 0.05 -0.43 -0.41 0.00 -0.26 0.00 0.00 57.72 56.67 2k1b n HIS 40 Cb 0.42 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.07 4.37 0.09 1.59 1.01 -1.24 -4.97 121.20 120.99 2k1b s ILE 41 Ca 0.35 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.86 2k1b s ILE 41 Cb 0.19 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 38.19 2k1b s ILE 41 CO 0.25 0.27 1.20 -0.07 0.00 0.00 0.00 174.94 176.58 2k1b h LEU 42 N 5.77 0.53 -7.24 2.97 -0.00 -1.94 -3.47 115.31 111.93 2k1b h LEU 42 Ca -0.43 -0.50 -0.10 0.00 -0.00 0.00 0.00 57.88 56.85 2k1b h LEU 42 Cb 1.21 -0.17 -0.23 0.00 -0.00 0.00 0.00 40.66 41.48 2k1b h LEU 42 CO 0.73 1.34 -0.13 -0.62 -0.00 0.00 0.00 178.44 179.76 2k1b s ASP 43 N -7.17 -0.50 0.51 -0.43 -1.08 -1.26 -5.05 116.67 101.68 2k1b s ASP 43 Ca -0.05 0.93 0.35 0.00 -0.52 0.00 0.00 52.55 53.26 2k1b s ASP 43 Cb 0.07 0.95 1.49 0.00 -1.46 0.00 0.00 42.92 43.98 2k1b s ASP 43 CO 0.88 -0.20 1.76 1.55 0.52 0.00 0.00 175.17 179.68 2k1b h PRO 44 N 5.19 0.07 0.00 4.34 0.13 -2.02 -2.06 132.00 137.66 2k1b h PRO 44 Ca -0.28 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2k1b h PRO 44 Cb 1.17 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k1b h PRO 44 CO 0.21 0.05 -0.02 0.07 -0.23 0.00 0.00 178.00 178.08 2k1b h ARG 45 N 0.07 0.00 0.02 0.86 0.11 -1.98 -1.51 114.38 111.95 2k1b h ARG 45 Ca 0.63 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.71 2k1b h ARG 45 Cb 2.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.42 2k1b h ARG 45 CO -0.09 0.02 -0.01 -0.07 0.10 0.00 0.00 179.97 179.93 2k1b h LEU 46 N 0.00 -0.02 -0.34 0.08 3.38 -1.80 -2.56 115.31 114.06 2k1b h LEU 46 Ca -0.00 -0.74 -0.18 0.00 0.09 0.00 0.00 57.88 57.04 2k1b h LEU 46 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k1b h LEU 46 CO 0.00 0.76 -0.57 1.62 0.09 0.00 0.00 178.44 180.34 2k1b h VAL 47 N -0.82 1.29 0.00 1.22 3.04 -1.65 -2.79 116.25 116.54 2k1b h VAL 47 Ca -0.00 -1.77 -0.08 0.00 -1.01 0.00 0.00 66.70 63.84 2k1b h VAL 47 Cb 0.76 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 2k1b h VAL 47 CO 0.00 0.57 -0.37 0.00 -1.01 0.00 0.00 177.57 176.77 2k1b h MET 48 N 0.60 0.00 -0.25 4.17 -0.00 -1.42 -1.31 114.93 116.73 2k1b h MET 48 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 2k1b h MET 48 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.75 2k1b h MET 48 CO 0.12 0.37 -0.29 0.00 -0.00 0.00 0.00 176.91 177.11 2k1b h ALA 49 N 1.63 1.04 -0.24 -3.00 0.00 -1.36 0.13 119.26 117.47 2k1b h ALA 49 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2k1b h ALA 49 Cb 0.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k1b h ALA 49 CO 0.05 0.58 -0.44 -0.92 0.00 0.00 0.00 179.25 178.51 2k1b h TYR 50 N 0.43 0.91 0.00 0.00 3.20 -1.09 -0.08 116.97 120.34 2k1b h TYR 50 Ca 0.06 -0.32 -0.06 0.00 3.14 0.00 0.00 58.73 61.54 2k1b h TYR 50 Cb 0.73 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2k1b h TYR 50 CO 0.02 1.11 -0.29 0.93 -1.64 0.00 0.00 178.16 178.29 2k1b h GLU 51 N 0.45 0.00 0.00 1.82 4.39 -1.16 -3.34 114.58 116.74 2k1b h GLU 51 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k1b h GLU 51 Cb 1.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2k1b h GLU 51 CO 0.10 0.29 -0.60 -1.91 -1.16 0.00 0.00 179.01 175.73 2k1b n GLU 52 N -3.46 0.46 -2.62 2.33 4.07 0.02 -4.92 120.64 116.53 2k1b n GLU 52 Ca -0.00 0.51 -0.43 0.00 -0.06 0.00 0.00 57.16 57.18 2k1b n GLU 52 Cb 0.46 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 30.14 2k1b n GLU 52 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2k1b s LYS 53 N -2.30 4.33 -0.35 5.31 -0.14 -0.05 -5.00 119.74 121.55 2k1b s LYS 53 Ca -0.17 1.45 -0.28 0.00 -1.36 0.00 0.00 55.97 55.61 2k1b s LYS 53 Cb 0.02 -3.61 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 2k1b s LYS 53 CO 0.26 -0.49 1.05 -1.21 -0.76 0.00 0.00 175.35 174.19 2k1b s GLU 54 N 2.64 3.97 0.00 1.68 2.02 -1.26 -4.62 118.70 123.13 2k1b s GLU 54 Ca 0.49 0.89 0.27 0.00 0.02 0.00 0.00 54.97 56.64 2k1b s GLU 54 Cb -0.18 -3.77 0.74 0.00 0.10 0.00 0.00 34.13 31.01 2k1b s GLU 54 CO 0.14 -0.97 1.57 0.39 0.02 0.00 0.00 175.26 176.40