#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1b s GLN 2 N 0.00 1.33 -0.03 3.44 -2.07 -1.26 -4.45 119.66 116.61 2k1b s GLN 2 Ca 0.00 -0.44 0.23 0.00 -1.82 0.00 0.00 55.36 53.33 2k1b s GLN 2 Cb 0.00 -4.99 0.42 0.00 -1.09 0.00 0.00 33.01 27.34 2k1b s GLN 2 CO 0.00 -5.30 1.17 1.33 -1.32 0.00 0.00 175.29 171.18 2k1b n VAL 3 N 8.91 0.34 -2.33 3.63 0.24 -1.26 -5.08 118.33 122.78 2k1b n VAL 3 Ca 0.42 -1.31 -0.42 0.00 -2.04 0.00 0.00 64.34 60.99 2k1b n VAL 3 Cb 0.47 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.49 2.23 0.10 6.34 0.08 -1.26 -4.96 117.98 120.02 2k1b s PHE 4 Ca 0.34 0.56 -0.03 0.00 0.12 0.00 0.00 56.93 57.91 2k1b s PHE 4 Cb 0.38 -4.33 -0.03 0.00 -0.57 0.00 0.00 43.02 38.46 2k1b s PHE 4 CO -0.15 -2.07 0.08 0.00 -0.10 0.00 0.00 175.22 172.98 2k1b s ALA 5 N 6.19 0.48 0.63 5.36 0.00 -1.26 -4.82 121.76 128.33 2k1b s ALA 5 Ca 0.58 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 2k1b s ALA 5 Cb -0.12 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2k1b s ALA 5 CO 0.27 -0.48 1.10 0.54 0.00 0.00 0.00 175.76 177.20 2k1b s VAL 6 N -3.97 3.37 0.09 0.00 0.11 -1.26 -4.99 120.40 113.75 2k1b s VAL 6 Ca 0.15 0.66 -0.35 0.00 -2.93 0.00 0.00 61.98 59.51 2k1b s VAL 6 Cb 0.07 -3.19 -0.16 0.00 -1.53 0.00 0.00 36.38 31.57 2k1b s VAL 6 CO -0.04 -0.37 1.57 -0.08 -3.33 0.00 0.00 175.10 172.85 2k1b h GLU 7 N 0.24 -0.93 -1.29 1.54 4.57 -1.81 -3.48 114.58 113.42 2k1b h GLU 7 Ca -0.47 0.06 0.21 0.00 -1.18 0.00 0.00 59.36 57.98 2k1b h GLU 7 Cb 1.24 0.21 -0.24 0.00 -0.16 0.00 0.00 28.75 29.80 2k1b h GLU 7 CO 0.55 -0.62 0.82 0.45 -1.18 0.00 0.00 179.01 179.03 2k1b s SER 8 N -4.41 -0.14 -0.36 1.04 0.15 -1.26 -5.01 113.70 103.70 2k1b s SER 8 Ca -0.18 0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 2k1b s SER 8 Cb 0.05 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2k1b s SER 8 CO 0.61 -0.16 0.84 -0.63 1.20 0.00 0.00 173.24 175.10 2k1b s ILE 9 N -1.45 4.68 -0.08 6.45 1.01 -1.26 -1.33 121.20 129.23 2k1b s ILE 9 Ca 0.07 1.02 -0.21 0.00 0.00 0.00 0.00 60.65 61.53 2k1b s ILE 9 Cb -0.01 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 38.04 2k1b s ILE 9 CO -0.05 -0.46 0.77 -0.09 0.00 0.00 0.00 174.94 175.11 2k1b h ARG 10 N 8.45 -0.10 -3.65 2.79 1.12 -1.62 -3.43 114.38 117.93 2k1b h ARG 10 Ca -0.24 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.57 2k1b h ARG 10 Cb 1.09 0.02 -0.12 0.00 -0.01 0.00 0.00 29.97 30.95 2k1b h ARG 10 CO 0.94 0.44 -0.20 -1.59 -3.11 0.00 0.00 179.97 176.44 2k1b s LYS 11 N -2.92 1.17 0.38 0.20 -2.85 -1.26 -5.04 119.74 109.42 2k1b s LYS 11 Ca -0.13 -1.00 0.05 0.00 -1.00 0.00 0.00 55.97 53.89 2k1b s LYS 11 Cb -0.00 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.12 2k1b s LYS 11 CO 0.49 -0.45 0.03 -1.59 0.10 0.00 0.00 175.35 173.94 2k1b s LYS 12 N -3.91 1.83 -0.11 1.78 -2.85 -1.26 -0.42 119.74 114.80 2k1b s LYS 12 Ca 0.12 -2.04 -0.23 0.00 -1.00 0.00 0.00 55.97 52.82 2k1b s LYS 12 Cb 0.02 -1.26 0.05 0.00 -2.06 0.00 0.00 37.83 34.58 2k1b s LYS 12 CO -0.04 -0.14 0.55 0.50 0.10 0.00 0.00 175.35 176.33 2k1b s ARG 13 N -3.80 0.80 -0.28 1.78 6.06 -0.34 -4.95 118.95 118.22 2k1b s ARG 13 Ca 0.34 0.40 -0.05 0.00 -2.50 0.00 0.00 55.73 53.91 2k1b s ARG 13 Cb 0.09 0.38 0.01 0.00 0.06 0.00 0.00 34.95 35.49 2k1b s ARG 13 CO 0.16 -0.19 0.04 0.08 -2.50 0.00 0.00 175.30 172.90 2k1b s VAL 14 N -0.56 3.66 -0.06 7.11 1.01 -1.26 -1.19 120.40 129.11 2k1b s VAL 14 Ca -0.07 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 2k1b s VAL 14 Cb -0.03 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.49 2k1b s VAL 14 CO 0.05 0.10 0.36 -0.60 0.00 0.00 0.00 175.10 175.00 2k1b s ARG 15 N 1.45 0.61 -1.63 2.72 3.00 -0.24 -4.89 118.95 119.97 2k1b s ARG 15 Ca 0.02 0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.85 2k1b s ARG 15 Cb -0.17 0.28 0.00 0.00 0.00 0.00 0.00 34.95 35.06 2k1b s ARG 15 CO 0.01 -0.14 0.00 0.36 0.00 0.00 0.00 175.30 175.52 2k1b n LYS 16 N 1.84 -1.68 -1.88 5.12 2.85 -1.26 -1.01 118.16 122.15 2k1b n LYS 16 Ca -0.18 0.91 -0.11 0.00 -1.05 0.00 0.00 58.31 57.88 2k1b n LYS 16 Cb 0.57 -5.41 -0.02 0.00 -0.65 0.00 0.00 35.03 29.52 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 -0.65 0.39 3.15 2.58 0.00 -1.26 -5.04 105.19 104.37 2k1b n GLY 17 Ca -0.19 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.94 0.98 -0.38 1.61 2.47 -0.18 -5.13 119.74 115.17 2k1b s LYS 18 Ca 0.00 -0.77 -0.11 0.00 -1.56 0.00 0.00 55.97 53.53 2k1b s LYS 18 Cb 0.00 -0.99 0.03 0.00 -1.46 0.00 0.00 37.83 35.40 2k1b s LYS 18 CO 0.00 0.25 0.22 0.08 0.16 0.00 0.00 175.35 176.05 2k1b s VAL 19 N -0.84 4.66 0.10 4.02 1.01 -1.26 -1.07 120.40 127.01 2k1b s VAL 19 Ca 0.02 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2k1b s VAL 19 Cb -0.08 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2k1b s VAL 19 CO 0.01 -0.23 -0.24 -1.83 0.00 0.00 0.00 175.10 172.81 2k1b s GLU 20 N 1.57 1.64 -0.12 2.72 -1.05 -0.33 -2.61 118.70 120.52 2k1b s GLU 20 Ca 0.02 -1.22 0.01 0.00 -0.15 0.00 0.00 54.97 53.63 2k1b s GLU 20 Cb -0.19 -1.99 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2k1b s GLU 20 CO 0.07 0.48 -0.13 0.71 0.95 0.00 0.00 175.26 177.34 2k1b s TYR 21 N -1.01 1.94 -0.41 4.83 1.51 -0.26 -1.20 117.35 122.76 2k1b s TYR 21 Ca 0.14 -0.99 -0.27 0.00 -1.01 0.00 0.00 57.07 54.94 2k1b s TYR 21 Cb -0.10 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2k1b s TYR 21 CO 0.06 -0.55 2.05 -1.17 -1.11 0.00 0.00 175.55 174.84 2k1b s LEU 22 N 1.28 3.42 -0.13 -1.29 2.96 0.44 -1.14 118.68 124.23 2k1b s LEU 22 Ca -0.01 1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.89 2k1b s LEU 22 Cb -0.14 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 2k1b s LEU 22 CO -0.06 -2.20 0.47 0.68 -1.32 0.00 0.00 176.35 173.92 2k1b s VAL 23 N 9.00 5.19 0.05 1.68 -7.23 -0.00 -1.43 120.40 127.66 2k1b s VAL 23 Ca 0.86 0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 61.71 2k1b s VAL 23 Cb -0.21 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 32.87 2k1b s VAL 23 CO 0.29 0.32 0.78 -0.54 -0.31 0.00 0.00 175.10 175.64 2k1b s LYS 24 N 0.69 4.51 -0.08 4.82 -0.14 -0.44 -3.00 119.74 126.11 2k1b s LYS 24 Ca 0.25 1.09 -0.18 0.00 -1.36 0.00 0.00 55.97 55.78 2k1b s LYS 24 Cb -0.15 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.59 2k1b s LYS 24 CO 0.10 0.27 0.48 -1.58 -0.76 0.00 0.00 175.35 173.85 2k1b s TRP 25 N -0.03 3.59 -0.25 3.18 0.52 -1.26 -2.29 118.94 122.40 2k1b s TRP 25 Ca 0.39 0.95 -0.29 0.00 0.02 0.00 0.00 56.10 57.18 2k1b s TRP 25 Cb -0.21 -2.50 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2k1b s TRP 25 CO 0.23 0.30 1.85 0.15 0.02 0.00 0.00 176.95 179.51 2k1b s LYS 26 N 0.12 3.47 0.00 4.98 1.02 -1.26 -2.07 119.74 125.99 2k1b s LYS 26 Ca 0.26 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.95 2k1b s LYS 26 Cb -0.16 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 2k1b s LYS 26 CO 0.12 -1.70 0.00 0.41 -0.92 0.00 0.00 175.35 173.26 2k1b n GLY 27 N 5.24 0.51 3.16 -3.33 0.00 -1.26 -5.07 105.19 104.44 2k1b n GLY 27 Ca 0.23 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 1.54 0.94 1.61 0.52 -0.88 -5.16 118.94 115.51 2k1b s TRP 28 Ca 0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 56.10 55.72 2k1b s TRP 28 Cb 0.00 -0.99 0.16 0.00 -1.15 0.00 0.00 33.47 31.48 2k1b s TRP 28 CO 0.00 -0.03 1.11 -1.25 0.02 0.00 0.00 176.95 176.80 2k1b s PRO 29 N -0.39 0.88 0.59 4.98 0.04 -1.26 -4.52 135.00 135.30 2k1b s PRO 29 Ca 0.06 1.24 0.31 0.00 0.04 0.00 0.00 61.00 62.65 2k1b s PRO 29 Cb -0.07 -1.73 1.67 0.00 0.04 0.00 0.00 34.50 34.41 2k1b s PRO 29 CO -0.01 -2.63 1.93 -1.00 0.04 0.00 0.00 177.00 175.33 2k1b h PRO 30 N -1.85 0.00 0.00 0.56 0.13 -1.95 -1.66 132.00 127.22 2k1b h PRO 30 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2k1b h PRO 30 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k1b h PRO 30 CO 0.47 0.00 -0.41 1.57 -0.23 0.00 0.00 178.00 179.40 2k1b h LYS 31 N 0.00 0.00 0.00 0.86 2.10 -2.01 -2.61 116.57 114.91 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 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2k1b h LYS 31 CO 0.00 0.41 -0.57 0.66 -2.00 0.00 0.00 179.45 177.94 2k1b n TYR 32 N -3.65 0.45 -2.11 0.07 4.01 -0.63 -4.87 117.16 110.42 2k1b n TYR 32 Ca -0.01 0.13 -0.43 0.00 -0.16 0.00 0.00 57.90 57.44 2k1b n TYR 32 Cb 0.50 -0.59 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 2k1b n TYR 32 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2k1b s SER 33 N -3.98 6.26 0.65 7.72 0.01 -0.99 -4.85 113.70 118.53 2k1b s SER 33 Ca 0.07 1.47 -0.02 0.00 1.31 0.00 0.00 55.95 58.78 2k1b s SER 33 Cb 0.14 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.91 2k1b s SER 33 CO 0.71 -1.38 0.92 0.42 0.41 0.00 0.00 173.24 174.31 2k1b s THR 34 N 5.62 2.40 -0.40 1.44 -4.23 -1.16 -4.83 115.64 114.48 2k1b s THR 34 Ca 0.72 -0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 2k1b s THR 34 Cb -0.23 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 70.79 2k1b s THR 34 CO 0.31 0.00 0.21 0.26 -0.54 0.00 0.00 174.62 174.86 2k1b s TRP 35 N -3.04 3.44 -0.26 3.99 0.52 -1.26 -0.82 118.94 121.51 2k1b s TRP 35 Ca 0.61 -1.99 -0.12 0.00 0.02 0.00 0.00 56.10 54.61 2k1b s TRP 35 Cb -0.09 -3.02 -0.05 0.00 -1.15 0.00 0.00 33.47 29.16 2k1b s TRP 35 CO 0.42 -0.91 0.26 -1.21 0.02 0.00 0.00 176.95 175.53 2k1b s GLU 36 N 1.28 4.01 1.32 4.98 0.41 -0.29 -4.75 118.70 125.66 2k1b s GLU 36 Ca 0.04 -0.16 -0.22 0.00 -0.41 0.00 0.00 54.97 54.23 2k1b s GLU 36 Cb -0.23 -3.63 0.33 0.00 -1.78 0.00 0.00 34.13 28.83 2k1b s GLU 36 CO -0.01 -0.15 1.04 -1.25 -0.49 0.00 0.00 175.26 174.39 2k1b s PRO 37 N 1.69 -2.17 0.12 0.39 0.04 -1.26 -1.10 135.00 132.71 2k1b s PRO 37 Ca 0.10 -0.08 0.15 0.00 0.04 0.00 0.00 61.00 61.22 2k1b s PRO 37 Cb -0.15 -1.49 0.68 0.00 0.04 0.00 0.00 34.50 33.58 2k1b s PRO 37 CO 0.09 -4.33 1.47 0.39 0.04 0.00 0.00 177.00 174.66 2k1b n GLU 38 N -5.20 0.08 0.01 4.56 1.02 -1.07 -1.32 120.64 118.71 2k1b n GLU 38 Ca 0.14 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 2k1b n GLU 38 Cb 0.60 -1.68 0.16 0.00 -0.02 0.00 0.00 31.44 30.50 2k1b n GLU 38 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2k1b n GLU 39 N -1.83 0.09 -0.57 3.49 0.28 -1.26 -4.12 120.64 116.71 2k1b n GLU 39 Ca 0.02 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.11 2k1b n GLU 39 Cb 0.13 -1.54 0.30 0.00 1.43 0.00 0.00 31.44 31.76 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 -1.66 1.26 -3.36 -1.84 8.25 -0.44 -5.01 115.22 112.43 2k1b n HIS 40 Ca 0.04 -0.84 -0.38 0.00 -0.26 0.00 0.00 57.72 56.28 2k1b n HIS 40 Cb 0.36 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.82 4.93 0.01 1.59 1.01 -1.25 -4.90 121.20 119.78 2k1b s ILE 41 Ca 0.46 1.04 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 2k1b s ILE 41 Cb 0.36 -3.82 -0.30 0.00 0.01 0.00 0.00 42.46 38.72 2k1b s ILE 41 CO 0.11 0.52 0.90 -0.07 0.00 0.00 0.00 174.94 176.40 2k1b h LEU 42 N 4.99 0.53 -7.68 2.97 -0.00 -1.95 -3.47 115.31 110.71 2k1b h LEU 42 Ca -0.49 -0.67 -0.21 0.00 -0.00 0.00 0.00 57.88 56.51 2k1b h LEU 42 Cb 1.21 -0.17 -0.27 0.00 -0.00 0.00 0.00 40.66 41.43 2k1b h LEU 42 CO 0.65 1.55 -0.65 -1.81 -0.00 0.00 0.00 178.44 178.18 2k1b s ASP 43 N -7.19 -0.06 0.57 -0.43 1.01 -1.26 -5.05 116.67 104.26 2k1b s ASP 43 Ca -0.09 0.11 0.26 0.00 0.71 0.00 0.00 52.55 53.53 2k1b s ASP 43 Cb 0.06 0.12 1.59 0.00 1.01 0.00 0.00 42.92 45.70 2k1b s ASP 43 CO 0.88 -0.03 2.14 1.55 0.21 0.00 0.00 175.17 179.92 2k1b h PRO 44 N 6.02 0.00 0.00 8.23 0.13 -2.01 -1.83 132.00 142.53 2k1b h PRO 44 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2k1b h PRO 44 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k1b h PRO 44 CO 0.47 0.00 -0.06 0.07 -0.23 0.00 0.00 178.00 178.25 2k1b h ARG 45 N 0.00 0.00 0.00 0.86 0.11 -1.99 -3.04 114.38 110.32 2k1b h ARG 45 Ca 0.06 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.99 2k1b h ARG 45 Cb 0.31 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.40 2k1b h ARG 45 CO -0.00 0.06 -0.62 -0.07 0.10 0.00 0.00 179.97 179.44 2k1b h LEU 46 N 0.00 0.54 -0.73 0.08 3.38 -1.75 -1.75 115.31 115.09 2k1b h LEU 46 Ca -0.00 -0.76 -0.11 0.00 0.09 0.00 0.00 57.88 57.10 2k1b h LEU 46 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k1b h LEU 46 CO 0.01 1.24 -0.20 1.62 0.09 0.00 0.00 178.44 181.20 2k1b h VAL 47 N -0.10 1.27 0.00 1.22 3.04 -1.66 -2.54 116.25 117.48 2k1b h VAL 47 Ca -0.08 -1.29 -0.09 0.00 -1.01 0.00 0.00 66.70 64.23 2k1b h VAL 47 Cb 1.33 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 2k1b h VAL 47 CO 0.12 0.43 -0.43 0.00 -1.01 0.00 0.00 177.57 176.69 2k1b h MET 48 N 0.68 0.00 0.00 4.17 -0.00 -1.63 -3.12 114.93 115.03 2k1b h MET 48 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 2k1b h MET 48 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2k1b h MET 48 CO 0.05 0.43 0.00 0.00 -0.00 0.00 0.00 176.91 177.39 2k1b h ALA 49 N 1.57 1.00 -0.19 -3.00 0.00 -0.87 0.58 119.26 118.35 2k1b h ALA 49 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k1b h ALA 49 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k1b h ALA 49 CO 0.06 0.00 0.05 -0.92 0.00 0.00 0.00 179.25 178.44 2k1b h TYR 50 N 0.00 0.10 0.00 0.00 3.20 -1.48 -1.29 116.97 117.50 2k1b h TYR 50 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k1b h TYR 50 Cb 0.28 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2k1b h TYR 50 CO 0.00 0.04 -1.10 0.39 -1.64 0.00 0.00 178.16 175.85 2k1b n GLU 51 N -5.06 0.53 -0.01 1.82 1.02 -0.73 -4.28 120.64 113.92 2k1b n GLU 51 Ca -0.03 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 2k1b n GLU 51 Cb 0.08 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 29.63 2k1b n GLU 51 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k1b h GLU 52 N 0.00 0.20 -6.59 3.49 4.57 -0.94 -3.46 114.58 111.85 2k1b h GLU 52 Ca 0.00 -0.35 -0.52 0.00 -1.18 0.00 0.00 59.36 57.32 2k1b h GLU 52 Cb 0.93 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 2k1b h GLU 52 CO 0.00 1.17 0.12 0.15 -1.18 0.00 0.00 179.01 179.27 2k1b s LYS 53 N -2.45 4.27 -0.03 1.92 -0.14 -0.49 -5.01 119.74 117.81 2k1b s LYS 53 Ca -0.21 0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 55.17 2k1b s LYS 53 Cb 0.04 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 33.25 2k1b s LYS 53 CO 0.74 0.39 0.60 0.93 -0.76 0.00 0.00 175.35 177.24 2k1b h GLU 54 N 3.40 -0.44 0.00 1.68 3.07 -1.88 -3.45 114.58 116.96 2k1b h GLU 54 Ca -0.48 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2k1b h GLU 54 Cb 1.19 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2k1b h GLU 54 CO 0.65 -0.29 0.00 0.39 -1.40 0.00 0.00 179.01 178.36