#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zr4 n LEU 7 N 0.00 -1.35 -4.64 3.14 4.77 -1.26 -4.93 117.00 112.73 2zr4 n LEU 7 Ca 0.00 1.90 -0.30 0.00 -0.03 0.00 0.00 56.01 57.58 2zr4 n LEU 7 Cb 0.00 -1.65 0.18 0.00 -2.33 0.00 0.00 43.42 39.62 2zr4 n LEU 7 CO 0.00 -0.23 0.64 -2.84 -1.33 0.00 0.00 177.39 173.63 2zr4 s PRO 8 N -4.76 0.65 -0.15 3.23 0.02 -1.26 -4.84 135.00 127.89 2zr4 s PRO 8 Ca 0.00 1.29 -0.40 0.00 0.02 0.00 0.00 61.00 61.91 2zr4 s PRO 8 Cb 0.00 -1.70 -0.17 0.00 0.02 0.00 0.00 34.50 32.65 2zr4 s PRO 8 CO 0.00 -2.80 1.53 -2.30 -0.33 0.00 0.00 177.00 173.10 2zr4 n PRO 9 N -4.33 0.91 0.00 5.54 -0.02 -1.26 -1.78 135.00 134.07 2zr4 n PRO 9 Ca 0.09 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2zr4 n PRO 9 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2zr4 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zr4 n GLY 10 N 3.34 3.20 3.76 -1.23 0.00 -1.26 -4.91 105.19 108.08 2zr4 n GLY 10 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2zr4 n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2zr4 s TRP 11 N -2.16 3.80 -0.08 1.61 0.52 -0.73 -0.91 118.94 120.99 2zr4 s TRP 11 Ca 0.00 1.83 -0.15 0.00 0.02 0.00 0.00 56.10 57.80 2zr4 s TRP 11 Cb 0.00 -3.01 0.03 0.00 -1.15 0.00 0.00 33.47 29.34 2zr4 s TRP 11 CO 0.00 0.19 0.38 -2.00 0.02 0.00 0.00 176.95 175.53 2zr4 s GLU 12 N -1.56 0.59 -0.01 4.98 2.12 -0.08 -4.83 118.70 119.92 2zr4 s GLU 12 Ca 0.45 0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.70 2zr4 s GLU 12 Cb -0.24 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2zr4 s GLU 12 CO 0.30 -0.13 0.93 0.21 -0.54 0.00 0.00 175.26 176.04 2zr4 s LYS 13 N -0.56 4.54 0.38 4.30 2.20 -1.26 -0.99 119.74 128.35 2zr4 s LYS 13 Ca -0.07 1.33 0.04 0.00 -0.36 0.00 0.00 55.97 56.91 2zr4 s LYS 13 Cb -0.04 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2zr4 s LYS 13 CO 0.03 -0.03 0.11 1.03 -0.36 0.00 0.00 175.35 176.13 2zr4 s ARG 14 N 0.96 1.83 0.01 4.03 1.81 0.76 -4.95 118.95 123.41 2zr4 s ARG 14 Ca 0.50 -2.09 0.01 0.00 -1.72 0.00 0.00 55.73 52.43 2zr4 s ARG 14 Cb -0.20 -0.63 -0.01 0.00 -0.45 0.00 0.00 34.95 33.66 2zr4 s ARG 14 CO 0.26 -0.41 -0.05 1.41 -0.68 0.00 0.00 175.30 175.84 2zr4 s MET 15 N -3.77 0.37 0.25 3.54 -2.45 -1.26 -1.14 119.30 114.84 2zr4 s MET 15 Ca 0.27 -0.28 -0.30 0.00 -1.25 0.00 0.00 55.69 54.14 2zr4 s MET 15 Cb 0.04 -0.30 -0.09 0.00 1.25 0.00 0.00 34.83 35.73 2zr4 s MET 15 CO 0.15 0.08 1.15 -1.12 1.05 0.00 0.00 175.02 176.32 2zr4 s SER 16 N -0.42 7.17 0.52 1.11 0.01 -0.11 -4.98 113.70 117.00 2zr4 s SER 16 Ca -0.01 2.29 -0.18 0.00 1.31 0.00 0.00 55.95 59.36 2zr4 s SER 16 Cb -0.03 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2zr4 s SER 16 CO -0.00 -0.25 1.02 -0.13 0.41 0.00 0.00 173.24 174.29 2zr4 s ARG 17 N -1.08 3.76 -0.79 12.44 0.52 -1.26 -3.03 118.95 129.52 2zr4 s ARG 17 Ca 0.47 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.86 2zr4 s ARG 17 Cb -0.33 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.04 2zr4 s ARG 17 CO 0.41 -0.44 0.00 0.45 0.02 0.00 0.00 175.30 175.73 2zr4 n SER 18 N -1.39 -3.03 -3.71 0.23 2.88 -1.26 -4.79 113.62 102.55 2zr4 n SER 18 Ca 0.08 0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.68 2zr4 n SER 18 Cb 0.53 -2.58 -0.06 0.00 -0.75 0.00 0.00 64.21 61.35 2zr4 n SER 18 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2zr4 s SER 19 N -1.65 0.49 0.00 -3.46 0.15 -1.17 -5.08 113.70 102.99 2zr4 s SER 19 Ca 0.00 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2zr4 s SER 19 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2zr4 s SER 19 CO 0.00 -1.12 0.46 0.61 1.20 0.00 0.00 173.24 174.39 2zr4 n GLY 20 N -0.44 -0.15 3.67 9.45 0.00 -1.25 -4.53 105.19 111.93 2zr4 n GLY 20 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2zr4 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zr4 s ARG 21 N -0.19 4.15 -0.03 1.61 3.00 -1.26 -4.69 118.95 121.54 2zr4 s ARG 21 Ca 0.00 2.52 -0.19 0.00 0.00 0.00 0.00 55.73 58.06 2zr4 s ARG 21 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 2zr4 s ARG 21 CO 0.00 -0.90 0.53 0.08 0.00 0.00 0.00 175.30 175.01 2zr4 s VAL 22 N 3.93 4.99 0.35 3.52 1.01 -1.26 -0.93 120.40 132.01 2zr4 s VAL 22 Ca 0.83 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 2zr4 s VAL 22 Cb -0.41 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2zr4 s VAL 22 CO 0.38 0.43 0.52 -0.72 0.00 0.00 0.00 175.10 175.71 2zr4 s TYR 23 N -0.19 0.89 -0.09 5.22 1.13 -0.30 -4.91 117.35 119.11 2zr4 s TYR 23 Ca 0.28 -1.20 0.01 0.00 -1.41 0.00 0.00 57.07 54.75 2zr4 s TYR 23 Cb -0.17 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 2zr4 s TYR 23 CO 0.15 -1.20 -0.10 0.71 -2.51 0.00 0.00 175.55 172.60 2zr4 s TYR 24 N -2.98 2.85 0.04 -3.49 1.51 0.06 -0.17 117.35 115.17 2zr4 s TYR 24 Ca 0.28 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.14 2zr4 s TYR 24 Cb -0.01 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2zr4 s TYR 24 CO 0.18 0.09 -0.18 0.12 -1.11 0.00 0.00 175.55 174.66 2zr4 s PHE 25 N -0.29 1.54 -0.28 2.71 5.36 -0.16 -1.27 117.98 125.58 2zr4 s PHE 25 Ca 0.03 -0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 2zr4 s PHE 25 Cb -0.13 -0.92 0.03 0.00 -0.34 0.00 0.00 43.02 41.66 2zr4 s PHE 25 CO 0.03 0.06 0.01 1.21 -1.46 0.00 0.00 175.22 175.07 2zr4 s ASN 26 N -1.10 4.79 0.47 6.13 3.84 0.08 -0.90 114.94 128.25 2zr4 s ASN 26 Ca 0.05 -0.93 0.32 0.00 0.21 0.00 0.00 52.86 52.51 2zr4 s ASN 26 Cb -0.08 -1.76 1.57 0.00 -0.55 0.00 0.00 41.25 40.42 2zr4 s ASN 26 CO 0.01 -0.20 1.97 0.45 -2.79 0.00 0.00 177.10 176.55 2zr4 h HIS 27 N 8.10 0.00 0.06 0.43 3.86 -1.34 0.47 115.15 126.73 2zr4 h HIS 27 Ca -0.29 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.56 2zr4 h HIS 27 Cb 1.10 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 2zr4 h HIS 27 CO 0.60 0.00 -2.13 -0.89 0.86 0.00 0.00 177.93 176.37 2zr4 n ILE 28 N -2.72 1.63 0.53 2.45 5.41 -1.26 -4.50 119.36 120.90 2zr4 n ILE 28 Ca -0.01 -0.68 0.09 0.00 1.00 0.00 0.00 62.75 63.15 2zr4 n ILE 28 Cb 0.15 -1.40 -0.11 0.00 -0.71 0.00 0.00 39.64 37.57 2zr4 n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2zr4 n THR 29 N -3.27 0.00 -1.29 1.39 -2.24 -1.17 -4.19 114.28 103.51 2zr4 n THR 29 Ca -0.34 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 2zr4 n THR 29 Cb 1.04 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.90 2zr4 n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2zr4 n ASN 30 N -1.67 -4.53 -4.80 3.42 5.03 0.17 -0.42 115.26 112.46 2zr4 n ASN 30 Ca 0.01 0.25 -0.35 0.00 0.87 0.00 0.00 54.58 55.36 2zr4 n ASN 30 Cb 0.34 -2.92 -0.05 0.00 -1.02 0.00 0.00 39.78 36.13 2zr4 n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2zr4 s ALA 31 N -2.27 3.00 -0.01 5.41 0.00 -1.22 -3.64 121.76 123.04 2zr4 s ALA 31 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2zr4 s ALA 31 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2zr4 s ALA 31 CO 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 175.76 175.64 2zr4 s ALA 32 N -1.92 0.12 0.14 0.00 0.00 -1.26 -0.74 121.76 118.10 2zr4 s ALA 32 Ca 0.62 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.44 2zr4 s ALA 32 Cb -0.16 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.90 2zr4 s ALA 32 CO 0.20 -0.01 0.46 1.14 0.00 0.00 0.00 175.76 177.55 2zr4 s GLN 33 N 0.32 1.14 0.09 0.00 -2.07 -0.40 -5.00 119.66 113.73 2zr4 s GLN 33 Ca -0.03 -0.64 -0.01 0.00 -1.82 0.00 0.00 55.36 52.87 2zr4 s GLN 33 Cb -0.05 0.51 -0.26 0.00 -1.09 0.00 0.00 33.01 32.12 2zr4 s GLN 33 CO -0.01 -0.46 1.18 -1.49 -1.32 0.00 0.00 175.29 173.18 2zr4 h TRP 34 N 2.25 0.33 -3.87 9.60 4.06 -1.91 0.20 115.95 126.61 2zr4 h TRP 34 Ca -0.34 -0.24 -0.50 0.00 2.06 0.00 0.00 58.89 59.87 2zr4 h TRP 34 Cb 1.27 -0.01 0.02 0.00 -1.00 0.00 0.00 29.16 29.44 2zr4 h TRP 34 CO 0.30 1.19 0.46 -1.21 -3.56 0.00 0.00 178.44 175.62 2zr4 s GLU 35 N -2.67 4.42 0.13 0.49 8.01 -1.26 -4.65 118.70 123.17 2zr4 s GLU 35 Ca -0.02 1.72 -0.31 0.00 0.01 0.00 0.00 54.97 56.36 2zr4 s GLU 35 Cb 0.08 -2.92 -0.09 0.00 -4.31 0.00 0.00 34.13 26.88 2zr4 s GLU 35 CO 0.86 0.03 1.53 0.50 0.01 0.00 0.00 175.26 178.20 2zr4 s ARG 36 N -1.88 4.24 0.02 1.61 3.52 -1.26 -4.71 118.95 120.50 2zr4 s ARG 36 Ca 0.50 2.27 0.08 0.00 -0.13 0.00 0.00 55.73 58.45 2zr4 s ARG 36 Cb -0.29 -3.26 0.36 0.00 -1.56 0.00 0.00 34.95 30.21 2zr4 s ARG 36 CO 0.37 -0.58 1.26 -0.35 -0.81 0.00 0.00 175.30 175.19 2zr4 n PRO 37 N 4.25 0.01 -3.72 5.12 -0.04 -1.26 -4.77 135.00 134.59 2zr4 n PRO 37 Ca 0.13 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2zr4 n PRO 37 Cb 0.40 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 2zr4 n PRO 37 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2zr4 s SER 38 N -3.09 -0.19 0.00 3.54 1.04 -1.26 -4.86 113.70 108.87 2zr4 s SER 38 Ca 0.03 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2zr4 s SER 38 Cb 0.05 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2zr4 s SER 38 CO 0.14 -0.61 0.16 0.61 0.98 0.00 0.00 173.24 174.53 2zr4 n GLY 39 N 0.66 -1.09 2.72 7.32 0.00 -1.26 -5.03 105.19 108.52 2zr4 n GLY 39 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 2zr4 n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zr4 s GLY 45 N -0.18 0.15 -0.11 -0.02 0.00 -1.26 -5.14 107.32 100.76 2zr4 s GLY 45 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.98 2zr4 s GLY 45 CO 0.00 1.10 -0.09 1.25 0.00 0.00 0.00 173.10 175.36 2zr4 s LYS 46 N 1.69 3.16 -0.00 2.90 2.20 -1.26 -5.12 119.74 123.32 2zr4 s LYS 46 Ca -0.01 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2zr4 s LYS 46 Cb -0.12 -2.66 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2zr4 s LYS 46 CO -0.03 0.40 0.07 0.54 -0.36 0.00 0.00 175.35 175.97 2zr4 s ASN 47 N -0.12 0.07 0.00 1.43 4.22 -1.26 -4.83 114.94 114.45 2zr4 s ASN 47 Ca 0.00 -0.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.52 2zr4 s ASN 47 Cb -0.13 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.56 2zr4 s ASN 47 CO 0.03 -0.26 0.00 0.61 -2.04 0.00 0.00 177.10 175.45 2zr4 n GLY 48 N 1.93 0.48 0.17 0.45 0.00 -1.26 -4.96 105.19 101.99 2zr4 n GLY 48 Ca -0.20 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 44.92 2zr4 n GLY 48 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2zr4 h GLN 49 N 0.00 0.00 0.00 1.61 4.15 -2.04 -3.49 115.11 115.34 2zr4 h GLN 49 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2zr4 h GLN 49 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2zr4 h GLN 49 CO 0.00 0.45 0.00 0.41 -1.93 0.00 0.00 178.83 177.76 2zr4 n GLY 50 N 0.22 2.01 3.37 2.39 0.00 -1.26 -4.78 105.19 107.13 2zr4 n GLY 50 Ca -0.01 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2zr4 n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2zr4 s GLU 51 N 0.00 1.41 0.53 1.61 -1.05 -1.26 -5.10 118.70 114.83 2zr4 s GLU 51 Ca 0.00 -1.62 -0.22 0.00 -0.15 0.00 0.00 54.97 52.98 2zr4 s GLU 51 Cb 0.00 -1.28 -0.05 0.00 -0.44 0.00 0.00 34.13 32.36 2zr4 s GLU 51 CO 0.00 0.22 1.30 -1.25 0.95 0.00 0.00 175.26 176.48 2zr4 s PRO 52 N -3.57 3.29 0.46 -4.83 0.04 -1.26 -4.89 135.00 124.24 2zr4 s PRO 52 Ca 0.24 2.09 0.27 0.00 0.04 0.00 0.00 61.00 63.63 2zr4 s PRO 52 Cb -0.02 -2.28 0.73 0.00 0.04 0.00 0.00 34.50 32.97 2zr4 s PRO 52 CO 0.09 -1.02 1.75 0.00 0.04 0.00 0.00 177.00 177.85 2zr4 h ALA 53 N 1.58 1.00 -2.63 8.56 0.00 -1.98 -3.45 119.26 122.35 2zr4 h ALA 53 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2zr4 h ALA 53 Cb 1.29 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 2zr4 h ALA 53 CO 0.58 0.00 -0.20 0.50 0.00 0.00 0.00 179.25 180.12 2zr4 s ARG 54 N -3.36 0.56 0.15 0.00 3.52 -1.26 -4.47 118.95 114.09 2zr4 s ARG 54 Ca 0.05 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 2zr4 s ARG 54 Cb 0.07 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.68 2zr4 s ARG 54 CO 0.61 -0.10 0.03 0.14 -0.81 0.00 0.00 175.30 175.18 2zr4 s VAL 55 N -0.15 0.36 -0.09 7.11 -7.23 -0.96 -4.96 120.40 114.48 2zr4 s VAL 55 Ca -0.03 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2zr4 s VAL 55 Cb -0.03 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.85 2zr4 s VAL 55 CO 0.02 -0.48 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.54 2zr4 s ARG 56 N -3.99 2.44 0.07 4.82 3.52 -0.49 -0.96 118.95 124.37 2zr4 s ARG 56 Ca 0.24 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2zr4 s ARG 56 Cb 0.07 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 2zr4 s ARG 56 CO 0.02 0.10 -0.06 0.00 -0.81 0.00 0.00 175.30 174.56 2zr4 s SER 58 N -2.52 4.02 0.18 0.00 0.01 -0.01 -1.31 113.70 114.06 2zr4 s SER 58 Ca 0.03 -0.88 -0.16 0.00 1.31 0.00 0.00 55.95 56.26 2zr4 s SER 58 Cb 0.01 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.72 2zr4 s SER 58 CO -0.04 0.00 0.46 -1.38 0.41 0.00 0.00 173.24 172.68 2zr4 s HIS 59 N -2.44 -0.03 -0.13 2.43 -3.43 -0.25 -1.06 115.29 110.39 2zr4 s HIS 59 Ca 0.31 -0.32 -0.00 0.00 -0.80 0.00 0.00 55.06 54.25 2zr4 s HIS 59 Cb -0.05 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.41 2zr4 s HIS 59 CO 0.17 -0.84 -0.09 -1.17 -2.00 0.00 0.00 174.74 170.81 2zr4 s LEU 60 N -2.88 1.36 -0.11 5.38 0.20 -0.46 -4.44 118.68 117.73 2zr4 s LEU 60 Ca 0.10 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.48 2zr4 s LEU 60 Cb 0.00 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.81 2zr4 s LEU 60 CO -0.04 -0.12 0.02 -0.22 -0.29 0.00 0.00 176.35 175.71 2zr4 s LEU 61 N 1.65 3.68 -0.24 -0.68 2.96 -1.26 -1.58 118.68 123.21 2zr4 s LEU 61 Ca 0.04 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2zr4 s LEU 61 Cb -0.13 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.75 2zr4 s LEU 61 CO -0.09 0.34 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.49 2zr4 s VAL 62 N -0.62 1.87 0.67 1.68 1.01 -0.14 0.21 120.40 125.07 2zr4 s VAL 62 Ca 0.10 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 2zr4 s VAL 62 Cb -0.12 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.30 2zr4 s VAL 62 CO 0.02 0.02 0.99 -0.54 0.00 0.00 0.00 175.10 175.59 2zr4 s LYS 63 N 1.26 2.56 0.29 2.72 1.02 -1.26 -1.69 119.74 124.64 2zr4 s LYS 63 Ca -0.06 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.88 2zr4 s LYS 63 Cb -0.19 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2zr4 s LYS 63 CO -0.06 -1.02 0.36 -3.38 -0.92 0.00 0.00 175.35 170.32 2zr4 s HIS 64 N -3.18 1.10 0.61 3.18 -3.43 -1.26 -4.83 115.29 107.47 2zr4 s HIS 64 Ca 0.57 -1.29 0.29 0.00 -0.80 0.00 0.00 55.06 53.84 2zr4 s HIS 64 Cb -0.11 -0.27 1.58 0.00 -1.43 0.00 0.00 32.58 32.36 2zr4 s HIS 64 CO 0.46 -0.94 1.97 0.66 -2.00 0.00 0.00 174.74 174.89 2zr4 h SER 65 N 2.26 0.00 -0.49 7.38 4.64 -1.02 -0.14 113.55 126.17 2zr4 h SER 65 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2zr4 h SER 65 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2zr4 h SER 65 CO 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 2zr4 n GLN 66 N -3.55 2.37 -2.25 4.77 1.13 -1.26 -4.81 117.38 113.78 2zr4 n GLN 66 Ca 0.04 -2.11 -0.36 0.00 -1.94 0.00 0.00 57.00 52.63 2zr4 n GLN 66 Cb 0.49 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.35 2zr4 n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2zr4 s SER 67 N -1.22 5.96 0.50 1.08 0.01 -0.07 -4.89 113.70 115.07 2zr4 s SER 67 Ca 0.40 2.25 0.22 0.00 1.31 0.00 0.00 55.95 60.13 2zr4 s SER 67 Cb 0.21 -2.59 1.29 0.00 0.21 0.00 0.00 66.02 65.14 2zr4 s SER 67 CO 0.29 -1.06 1.98 0.08 0.41 0.00 0.00 173.24 174.94 2zr4 h ARG 68 N 1.66 0.12 -2.85 12.44 0.11 -1.42 -3.15 114.38 121.28 2zr4 h ARG 68 Ca -0.50 -0.01 -0.61 0.00 0.10 0.00 0.00 59.98 58.97 2zr4 h ARG 68 Cb 1.25 -0.03 -0.40 0.00 1.11 0.00 0.00 29.97 31.91 2zr4 h ARG 68 CO 0.59 0.08 -0.75 0.50 0.10 0.00 0.00 179.97 180.48 2zr4 s ARG 69 N -5.13 1.51 -0.34 0.08 3.52 -1.26 -5.02 118.95 112.31 2zr4 s ARG 69 Ca -0.06 -2.40 -0.03 0.00 -0.13 0.00 0.00 55.73 53.11 2zr4 s ARG 69 Cb 0.20 -2.40 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 2zr4 s ARG 69 CO 0.74 -1.25 1.63 -0.35 -0.81 0.00 0.00 175.30 175.25 2zr4 n PRO 70 N 2.93 1.03 -3.53 5.12 -0.04 -1.19 -4.67 135.00 134.66 2zr4 n PRO 70 Ca 0.17 -0.79 -0.14 0.00 -0.04 0.00 0.00 63.50 62.69 2zr4 n PRO 70 Cb 0.38 -2.04 -0.05 0.00 -0.04 0.00 0.00 33.50 31.75 2zr4 n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2zr4 s SER 71 N 3.52 -0.53 0.29 3.54 0.15 -1.26 -1.79 113.70 117.62 2zr4 s SER 71 Ca 0.23 0.50 -0.13 0.00 0.70 0.00 0.00 55.95 57.26 2zr4 s SER 71 Cb 0.08 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2zr4 s SER 71 CO -0.01 -0.55 0.58 -0.94 1.20 0.00 0.00 173.24 173.51 2zr4 s SER 72 N -1.38 0.07 0.61 5.45 1.04 -0.78 -5.00 113.70 113.72 2zr4 s SER 72 Ca -0.06 -1.01 0.38 0.00 0.48 0.00 0.00 55.95 55.74 2zr4 s SER 72 Cb -0.00 0.67 2.01 0.00 0.10 0.00 0.00 66.02 68.80 2zr4 s SER 72 CO 0.04 -1.30 2.25 4.11 0.98 0.00 0.00 173.24 179.32 2zr4 h TRP 73 N 2.14 0.00 0.01 5.02 5.08 -1.92 -2.32 115.95 123.96 2zr4 h TRP 73 Ca -0.26 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.50 2zr4 h TRP 73 Cb 1.25 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.38 2zr4 h TRP 73 CO 0.76 0.02 -0.97 0.00 -1.28 0.00 0.00 178.44 176.97 2zr4 h ARG 74 N 0.00 0.04 -1.75 0.12 3.08 -1.90 -3.46 114.38 110.51 2zr4 h ARG 74 Ca -0.00 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2zr4 h ARG 74 Cb 0.14 0.02 -0.24 0.00 0.08 0.00 0.00 29.97 29.97 2zr4 h ARG 74 CO 0.00 0.98 0.24 1.14 -1.07 0.00 0.00 179.97 181.26 2zr4 s GLN 75 N -2.84 0.56 0.20 0.04 -2.07 -0.87 -5.07 119.66 109.61 2zr4 s GLN 75 Ca -0.00 0.88 -0.11 0.00 -1.82 0.00 0.00 55.36 54.31 2zr4 s GLN 75 Cb 0.10 0.16 0.22 0.00 -1.09 0.00 0.00 33.01 32.40 2zr4 s GLN 75 CO 0.82 -0.10 1.74 1.49 -1.32 0.00 0.00 175.29 177.92 2zr4 h GLU 76 N 5.99 0.36 -4.68 9.60 4.81 -1.91 -2.08 114.58 126.67 2zr4 h GLU 76 Ca -0.29 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.28 2zr4 h GLU 76 Cb 1.20 -0.08 -0.37 0.00 0.63 0.00 0.00 28.75 30.13 2zr4 h GLU 76 CO 0.16 0.24 -0.81 0.21 -0.73 0.00 0.00 179.01 178.07 2zr4 s LYS 77 N -6.11 2.14 -0.41 1.92 2.47 -1.26 -4.36 119.74 114.13 2zr4 s LYS 77 Ca -0.13 -0.99 -0.21 0.00 -1.56 0.00 0.00 55.97 53.08 2zr4 s LYS 77 Cb 0.16 -2.58 0.02 0.00 -1.46 0.00 0.00 37.83 33.97 2zr4 s LYS 77 CO 0.74 -0.46 0.67 0.42 0.16 0.00 0.00 175.35 176.87 2zr4 s ILE 78 N 1.31 4.82 -0.61 5.43 1.01 -0.74 -4.90 121.20 127.52 2zr4 s ILE 78 Ca -0.03 0.34 0.11 0.00 0.00 0.00 0.00 60.65 61.07 2zr4 s ILE 78 Cb -0.17 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 2zr4 s ILE 78 CO -0.08 -0.51 0.50 0.35 0.00 0.00 0.00 174.94 175.20 2zr4 n THR 79 N 5.80 0.00 -1.74 2.92 -2.24 -1.26 -3.78 114.28 113.99 2zr4 n THR 79 Ca -0.01 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 2zr4 n THR 79 Cb 0.48 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.79 2zr4 n THR 79 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2zr4 n ARG 80 N -1.06 1.52 -1.93 -0.78 1.85 -1.26 -4.53 116.66 110.47 2zr4 n ARG 80 Ca 0.03 0.57 -0.29 0.00 -1.00 0.00 0.00 57.85 57.15 2zr4 n ARG 80 Cb 0.18 -2.56 0.09 0.00 -1.05 0.00 0.00 32.46 29.13 2zr4 n ARG 80 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2zr4 s THR 81 N -1.32 2.02 0.33 8.89 -4.23 -1.26 -0.73 115.64 119.35 2zr4 s THR 81 Ca 0.75 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.26 2zr4 s THR 81 Cb -0.41 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.63 2zr4 s THR 81 CO 0.47 0.00 1.91 0.11 -0.54 0.00 0.00 174.62 176.57 2zr4 h LYS 82 N -1.04 0.68 -0.56 3.99 1.57 -1.94 -1.37 116.57 117.89 2zr4 h LYS 82 Ca -0.46 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.12 2zr4 h LYS 82 Cb 1.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2zr4 h LYS 82 CO 0.64 0.58 -0.05 0.93 -0.57 0.00 0.00 179.45 180.99 2zr4 h GLU 83 N 0.67 1.01 -0.21 3.15 3.07 -1.99 -1.36 114.58 118.92 2zr4 h GLU 83 Ca 0.16 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.57 2zr4 h GLU 83 Cb 0.18 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2zr4 h GLU 83 CO -0.01 1.02 -0.36 0.93 -1.40 0.00 0.00 179.01 179.19 2zr4 h GLU 84 N 0.91 0.45 -0.46 2.33 5.08 -1.79 -1.67 114.58 119.44 2zr4 h GLU 84 Ca 0.16 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2zr4 h GLU 84 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2zr4 h GLU 84 CO 0.04 0.75 -0.19 0.00 -1.00 0.00 0.00 179.01 178.61 2zr4 h ALA 85 N 1.23 0.78 -0.43 3.43 0.00 -0.99 -1.54 119.26 121.74 2zr4 h ALA 85 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2zr4 h ALA 85 Cb 0.82 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2zr4 h ALA 85 CO 0.07 0.66 -0.11 1.25 0.00 0.00 0.00 179.25 181.12 2zr4 h LEU 86 N 0.80 0.75 -0.49 0.00 5.85 -1.00 0.15 115.31 121.37 2zr4 h LEU 86 Ca 0.11 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2zr4 h LEU 86 Cb 0.74 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2zr4 h LEU 86 CO 0.06 0.88 0.25 -0.08 -0.34 0.00 0.00 178.44 179.21 2zr4 h GLU 87 N 0.69 0.69 -0.25 1.25 4.81 -1.02 -0.30 114.58 120.46 2zr4 h GLU 87 Ca 0.12 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2zr4 h GLU 87 Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2zr4 h GLU 87 CO 0.04 0.57 0.06 -0.07 -0.73 0.00 0.00 179.01 178.87 2zr4 h LEU 88 N 0.64 0.39 -0.36 1.64 3.38 -0.91 -1.77 115.31 118.33 2zr4 h LEU 88 Ca 0.17 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2zr4 h LEU 88 Cb 0.09 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2zr4 h LEU 88 CO -0.02 0.52 0.09 0.40 0.09 0.00 0.00 178.44 179.51 2zr4 h ILE 89 N 0.24 0.84 -0.16 1.22 1.08 -0.73 -0.25 117.51 119.74 2zr4 h ILE 89 Ca 0.08 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.45 2zr4 h ILE 89 Cb 0.28 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2zr4 h ILE 89 CO 0.00 0.04 -0.03 0.78 -0.69 0.00 0.00 178.15 178.25 2zr4 h ASN 90 N 0.21 0.22 -0.35 1.72 2.35 -0.94 -1.03 115.58 117.76 2zr4 h ASN 90 Ca 0.17 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2zr4 h ASN 90 Cb 0.18 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2zr4 h ASN 90 CO -0.21 0.29 -0.16 1.23 -1.65 0.00 0.00 177.43 176.93 2zr4 h GLY 91 N 0.55 0.78 1.07 2.83 0.00 -0.30 -1.24 103.07 106.77 2zr4 h GLY 91 Ca 0.05 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 2zr4 h GLY 91 CO 0.01 0.63 0.23 -0.97 0.00 0.00 0.00 176.54 176.44 2zr4 h TYR 92 N 0.50 1.20 -0.53 5.60 0.05 -0.43 -1.44 116.97 121.91 2zr4 h TYR 92 Ca 0.08 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2zr4 h TYR 92 Cb 0.69 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2zr4 h TYR 92 CO 0.06 0.94 0.26 0.82 -1.05 0.00 0.00 178.16 179.19 2zr4 h ILE 93 N 1.11 1.20 -0.69 -2.88 2.04 -1.08 -1.48 117.51 115.73 2zr4 h ILE 93 Ca 0.24 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2zr4 h ILE 93 Cb 0.31 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2zr4 h ILE 93 CO -0.01 0.22 0.43 -0.61 0.00 0.00 0.00 178.15 178.19 2zr4 h GLN 94 N 0.71 0.92 -0.39 2.37 -0.00 -0.89 -0.06 115.11 117.77 2zr4 h GLN 94 Ca 0.18 -0.07 -0.09 0.00 -0.00 0.00 0.00 58.65 58.68 2zr4 h GLN 94 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 27.38 2zr4 h GLN 94 CO -0.02 0.63 -0.11 -0.22 0.00 0.00 0.00 178.83 179.11 2zr4 h LYS 95 N 0.93 0.69 -0.34 1.69 3.64 -0.97 -1.37 116.57 120.84 2zr4 h LYS 95 Ca 0.25 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 2zr4 h LYS 95 Cb -0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2zr4 h LYS 95 CO -0.05 0.78 -0.26 0.82 -2.27 0.00 0.00 179.45 178.47 2zr4 h ILE 96 N 0.63 1.29 0.00 2.00 2.04 -0.86 -2.55 117.51 120.06 2zr4 h ILE 96 Ca 0.11 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2zr4 h ILE 96 Cb 0.55 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2zr4 h ILE 96 CO 0.03 0.46 -0.23 0.11 0.00 0.00 0.00 178.15 178.53 2zr4 h LYS 97 N 0.56 0.00 0.00 2.37 1.57 -0.76 -2.62 116.57 117.69 2zr4 h LYS 97 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2zr4 h LYS 97 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2zr4 h LYS 97 CO 0.07 0.23 -0.37 0.66 -0.57 0.00 0.00 179.45 179.46 2zr4 h SER 98 N 0.00 0.00 0.00 0.86 4.64 -1.20 -3.47 113.55 114.38 2zr4 h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2zr4 h SER 98 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2zr4 h SER 98 CO 0.03 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 2zr4 n GLY 99 N 1.19 0.64 0.19 -0.77 0.00 -0.99 -4.95 105.19 100.51 2zr4 n GLY 99 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2zr4 n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2zr4 h GLU 100 N 4.41 0.00 -4.27 1.61 5.08 -1.72 -3.45 114.58 116.24 2zr4 h GLU 100 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2zr4 h GLU 100 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 2zr4 h GLU 100 CO 0.00 0.37 -0.69 -1.21 -1.00 0.00 0.00 179.01 176.48 2zr4 s GLU 101 N -4.01 0.56 0.14 2.33 0.41 -1.08 -5.04 118.70 112.02 2zr4 s GLU 101 Ca -0.02 -1.03 0.05 0.00 -0.41 0.00 0.00 54.97 53.56 2zr4 s GLU 101 Cb 0.13 0.07 -0.04 0.00 -1.78 0.00 0.00 34.13 32.51 2zr4 s GLU 101 CO 0.71 -0.06 0.08 0.16 -0.49 0.00 0.00 175.26 175.66 2zr4 s ASP 102 N -2.43 5.32 0.18 -0.19 -4.77 -1.26 -4.16 116.67 109.35 2zr4 s ASP 102 Ca 0.00 -0.17 -0.14 0.00 -3.30 0.00 0.00 52.55 48.94 2zr4 s ASP 102 Cb 0.01 -1.34 0.14 0.00 -1.09 0.00 0.00 42.92 40.65 2zr4 s ASP 102 CO -0.06 0.10 1.71 0.15 0.70 0.00 0.00 175.17 177.78 2zr4 h PHE 103 N 2.73 0.09 -0.24 2.11 3.04 -1.97 -2.47 116.94 120.23 2zr4 h PHE 103 Ca -0.47 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.51 2zr4 h PHE 103 Cb 1.19 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 2zr4 h PHE 103 CO 0.60 -0.03 0.15 0.93 -2.02 0.00 0.00 178.31 177.94 2zr4 h GLU 104 N 0.19 0.32 -0.64 1.11 3.07 -1.96 -0.81 114.58 115.86 2zr4 h GLU 104 Ca 0.22 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2zr4 h GLU 104 Cb 0.29 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2zr4 h GLU 104 CO -0.31 0.24 0.40 0.66 -1.40 0.00 0.00 179.01 178.59 2zr4 h SER 105 N 0.31 0.77 -0.45 1.42 4.64 -1.88 -0.58 113.55 117.77 2zr4 h SER 105 Ca 0.09 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 2zr4 h SER 105 Cb -0.01 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2zr4 h SER 105 CO -0.02 0.59 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.45 2zr4 h LEU 106 N 0.87 0.80 -0.64 5.97 3.38 -1.28 -2.60 115.31 121.82 2zr4 h LEU 106 Ca 0.23 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2zr4 h LEU 106 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2zr4 h LEU 106 CO -0.04 0.92 0.07 0.00 0.09 0.00 0.00 178.44 179.48 2zr4 h ALA 107 N 0.90 0.85 -0.50 1.53 0.00 -0.93 0.31 119.26 121.42 2zr4 h ALA 107 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2zr4 h ALA 107 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2zr4 h ALA 107 CO 0.03 0.64 0.28 0.77 0.00 0.00 0.00 179.25 180.97 2zr4 h SER 108 N 0.99 0.60 0.08 0.00 0.02 -1.01 -2.57 113.55 111.66 2zr4 h SER 108 Ca 0.19 -0.03 -0.37 0.00 -0.84 0.00 0.00 61.79 60.73 2zr4 h SER 108 Cb 0.48 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2zr4 h SER 108 CO 0.02 0.48 -2.23 0.00 -1.14 0.00 0.00 176.83 173.95 2zr4 n GLN 109 N -4.42 0.69 0.00 3.45 6.02 -0.99 -4.75 117.38 117.39 2zr4 n GLN 109 Ca 0.04 0.19 0.04 0.00 -0.01 0.00 0.00 57.00 57.26 2zr4 n GLN 109 Cb 0.09 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 2zr4 n GLN 109 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2zr4 n PHE 110 N -3.29 0.00 -2.29 1.08 3.72 0.11 -5.02 117.46 111.77 2zr4 n PHE 110 Ca -0.37 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.62 2zr4 n PHE 110 Cb 1.03 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.54 2zr4 n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2zr4 s SER 111 N -1.21 7.00 0.00 4.37 0.15 -0.97 -4.85 113.70 118.20 2zr4 s SER 111 Ca 0.06 2.40 0.16 0.00 0.70 0.00 0.00 55.95 59.27 2zr4 s SER 111 Cb 0.06 -2.62 0.79 0.00 -1.71 0.00 0.00 66.02 62.54 2zr4 s SER 111 CO 0.20 -0.40 1.53 0.47 1.20 0.00 0.00 173.24 176.25 2zr4 n ASP 112 N 1.82 0.71 -4.89 5.45 8.00 0.13 -4.80 116.55 122.98 2zr4 n ASP 112 Ca 0.02 -1.63 -0.35 0.00 0.71 0.00 0.00 54.79 53.55 2zr4 n ASP 112 Cb 0.43 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 2zr4 n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zr4 n SER 114 N 1.24 0.13 0.00 0.00 3.41 -1.26 -1.63 113.62 115.51 2zr4 n SER 114 Ca -0.13 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 2zr4 n SER 114 Cb 0.53 -0.57 0.38 0.00 -0.26 0.00 0.00 64.21 64.29 2zr4 n SER 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2zr4 n SER 115 N -1.66 0.00 0.08 4.04 3.41 -1.26 -2.37 113.62 115.86 2zr4 n SER 115 Ca 0.02 0.01 0.14 0.00 -0.26 0.00 0.00 58.87 58.78 2zr4 n SER 115 Cb 0.10 -0.25 0.63 0.00 -0.26 0.00 0.00 64.21 64.43 2zr4 n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2zr4 h ALA 116 N 2.72 2.21 0.00 7.33 0.00 -1.56 0.24 119.26 130.20 2zr4 h ALA 116 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2zr4 h ALA 116 Cb 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2zr4 h ALA 116 CO 0.00 -0.30 -0.09 1.57 0.00 0.00 0.00 179.25 180.43 2zr4 h LYS 117 N 0.10 0.00 -0.54 0.00 2.10 -1.74 -0.43 116.57 116.06 2zr4 h LYS 117 Ca 0.17 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.62 2zr4 h LYS 117 Cb 0.53 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.75 2zr4 h LYS 117 CO -0.02 0.09 0.15 0.00 -2.00 0.00 0.00 179.45 177.67 2zr4 n ALA 118 N -2.30 4.27 -3.00 0.07 0.00 0.62 -4.91 120.51 115.26 2zr4 n ALA 118 Ca -0.02 -2.68 -0.22 0.00 0.00 0.00 0.00 53.44 50.52 2zr4 n ALA 118 Cb 0.19 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.69 2zr4 n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2zr4 n ARG 119 N -0.70 -4.51 0.00 0.00 1.74 -0.17 -2.02 116.66 111.00 2zr4 n ARG 119 Ca 0.37 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.32 2zr4 n ARG 119 Cb 1.20 -5.71 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 2zr4 n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zr4 n GLY 120 N -1.45 2.04 3.71 -0.13 0.00 0.16 -4.66 105.19 104.86 2zr4 n GLY 120 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2zr4 n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zr4 s ASP 121 N -2.60 6.49 0.00 1.61 2.15 -0.86 -1.09 116.67 122.37 2zr4 s ASP 121 Ca 0.00 2.71 0.14 0.00 0.43 0.00 0.00 52.55 55.83 2zr4 s ASP 121 Cb 0.00 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.96 2zr4 s ASP 121 CO 0.00 -0.92 0.69 0.18 -0.17 0.00 0.00 175.17 174.95 2zr4 n LEU 122 N 4.66 1.09 0.00 -1.34 4.77 -0.43 -4.82 117.00 120.93 2zr4 n LEU 122 Ca 0.16 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2zr4 n LEU 122 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2zr4 n LEU 122 CO 0.63 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2zr4 n GLY 123 N 1.20 -2.12 3.87 -0.72 0.00 -1.25 -4.91 105.19 101.25 2zr4 n GLY 123 Ca 0.04 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 2zr4 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zr4 s ALA 124 N -1.13 3.57 0.14 4.61 0.00 -1.26 -3.23 121.76 124.45 2zr4 s ALA 124 Ca 0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 2zr4 s ALA 124 Cb 0.00 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.71 2zr4 s ALA 124 CO 0.00 0.50 0.43 -0.59 0.00 0.00 0.00 175.76 176.10 2zr4 s PHE 125 N -1.77 -0.22 0.53 0.00 -0.71 -0.13 -4.98 117.98 110.69 2zr4 s PHE 125 Ca 0.46 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.31 2zr4 s PHE 125 Cb -0.12 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 42.01 2zr4 s PHE 125 CO 0.21 -0.74 0.27 -1.12 -1.34 0.00 0.00 175.22 172.50 2zr4 s SER 126 N -2.81 4.48 0.57 1.98 0.01 -1.26 -2.27 113.70 114.40 2zr4 s SER 126 Ca 0.04 -1.35 -0.18 0.00 1.31 0.00 0.00 55.95 55.76 2zr4 s SER 126 Cb 0.01 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2zr4 s SER 126 CO -0.11 -0.99 1.13 -0.13 0.41 0.00 0.00 173.24 173.54 2zr4 s ARG 127 N -4.14 3.21 0.00 12.44 0.52 -1.26 -3.08 118.95 126.64 2zr4 s ARG 127 Ca 0.26 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 2zr4 s ARG 127 Cb -0.01 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.47 2zr4 s ARG 127 CO 0.16 -0.95 0.00 0.41 0.02 0.00 0.00 175.30 174.93 2zr4 n GLY 128 N 0.03 0.91 0.12 -3.53 0.00 -1.26 -4.91 105.19 96.55 2zr4 n GLY 128 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2zr4 n GLY 128 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2zr4 n GLN 129 N -2.00 0.68 -4.03 1.61 -0.06 -1.18 -5.00 117.38 107.40 2zr4 n GLN 129 Ca 0.00 0.16 -0.24 0.00 -2.00 0.00 0.00 57.00 54.92 2zr4 n GLN 129 Cb 0.00 -1.60 -0.06 0.00 -4.06 0.00 0.00 30.24 24.51 2zr4 n GLN 129 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2zr4 s MET 130 N -2.53 2.30 0.35 3.69 -1.94 -1.26 -5.08 119.30 114.81 2zr4 s MET 130 Ca -0.22 -1.74 -0.29 0.00 -1.71 0.00 0.00 55.69 51.73 2zr4 s MET 130 Cb 0.08 -2.08 -0.11 0.00 2.01 0.00 0.00 34.83 34.73 2zr4 s MET 130 CO 0.73 -0.09 1.53 -0.65 -0.01 0.00 0.00 175.02 176.53 2zr4 s GLN 131 N -3.93 4.10 0.24 2.03 -0.21 -1.26 -4.66 119.66 115.98 2zr4 s GLN 131 Ca 0.42 2.59 -0.15 0.00 0.02 0.00 0.00 55.36 58.23 2zr4 s GLN 131 Cb 0.02 -2.98 0.29 0.00 1.00 0.00 0.00 33.01 31.33 2zr4 s GLN 131 CO 0.23 -0.58 1.56 -0.22 -2.12 0.00 0.00 175.29 174.16 2zr4 h LYS 132 N 3.64 -0.01 -1.00 2.91 1.63 -1.98 0.38 116.57 122.14 2zr4 h LYS 132 Ca -0.50 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.32 2zr4 h LYS 132 Cb 1.23 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.81 2zr4 h LYS 132 CO 0.69 -0.01 0.66 -1.35 -3.45 0.00 0.00 179.45 176.00 2zr4 h PRO 133 N -0.01 1.30 -0.31 1.90 0.11 -1.90 0.27 132.00 133.36 2zr4 h PRO 133 Ca 0.37 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 2zr4 h PRO 133 Cb 0.63 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2zr4 h PRO 133 CO -0.98 0.86 -0.09 0.35 -0.21 0.00 0.00 178.00 177.93 2zr4 h PHE 134 N 1.34 0.69 -0.02 0.65 3.04 -1.49 -2.49 116.94 118.65 2zr4 h PHE 134 Ca 0.37 -0.15 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 2zr4 h PHE 134 Cb -0.14 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.21 2zr4 h PHE 134 CO -0.00 0.80 0.01 1.49 -2.02 0.00 0.00 178.31 178.59 2zr4 h GLU 135 N 0.38 0.03 -0.57 1.11 4.81 -0.51 -1.00 114.58 118.83 2zr4 h GLU 135 Ca 0.08 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2zr4 h GLU 135 Cb 0.59 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2zr4 h GLU 135 CO 0.03 0.11 0.28 -0.44 -0.73 0.00 0.00 179.01 178.26 2zr4 h ASP 136 N -0.05 0.40 -0.24 1.04 3.32 -0.46 -1.84 116.42 118.59 2zr4 h ASP 136 Ca 0.01 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2zr4 h ASP 136 Cb 0.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2zr4 h ASP 136 CO -0.00 0.27 0.04 0.00 -1.72 0.00 0.00 179.24 177.83 2zr4 h ALA 137 N 1.32 0.32 -0.67 3.45 0.00 -1.33 -2.68 119.26 119.68 2zr4 h ALA 137 Ca 0.26 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2zr4 h ALA 137 Cb 0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2zr4 h ALA 137 CO -0.19 0.00 0.39 0.77 0.00 0.00 0.00 179.25 180.22 2zr4 h SER 138 N 0.21 0.60 1.05 0.00 0.02 -0.86 -2.08 113.55 112.49 2zr4 h SER 138 Ca 0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2zr4 h SER 138 Cb 0.32 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2zr4 h SER 138 CO 0.00 0.40 0.00 0.49 -1.14 0.00 0.00 176.83 176.58 2zr4 n PHE 139 N -4.75 0.31 0.81 3.45 3.01 -0.72 -2.84 117.46 116.73 2zr4 n PHE 139 Ca 0.08 0.10 0.11 0.00 1.01 0.00 0.00 57.45 58.75 2zr4 n PHE 139 Cb 0.14 -0.66 0.08 0.00 -0.01 0.00 0.00 39.48 39.03 2zr4 n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2zr4 n ALA 140 N -1.60 3.71 -1.93 4.37 0.00 -0.83 -4.65 120.51 119.58 2zr4 n ALA 140 Ca 0.06 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 2zr4 n ALA 140 Cb 0.34 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 2zr4 n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2zr4 s LEU 141 N -3.42 4.13 0.26 0.00 1.43 -0.90 -4.95 118.68 115.23 2zr4 s LEU 141 Ca 0.07 1.59 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2zr4 s LEU 141 Cb 0.16 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 2zr4 s LEU 141 CO 0.78 -0.19 0.38 -0.13 0.23 0.00 0.00 176.35 177.42 2zr4 s ARG 142 N -2.65 3.37 0.09 1.70 0.52 -1.26 -4.99 118.95 115.73 2zr4 s ARG 142 Ca 0.54 -0.81 -0.35 0.00 -0.52 0.00 0.00 55.73 54.59 2zr4 s ARG 142 Cb -0.13 -2.87 -0.15 0.00 0.52 0.00 0.00 34.95 32.32 2zr4 s ARG 142 CO 0.18 0.36 1.51 2.41 0.02 0.00 0.00 175.30 179.78 2zr4 n THR 143 N -1.45 0.05 -0.16 0.02 -1.04 -1.26 -1.23 114.28 109.22 2zr4 n THR 143 Ca -0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2zr4 n THR 143 Cb 0.57 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 2zr4 n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zr4 n GLY 144 N 3.14 1.45 3.88 3.41 0.00 0.59 -5.03 105.19 112.63 2zr4 n GLY 144 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2zr4 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zr4 s GLU 145 N -0.43 3.79 0.00 1.61 2.02 -0.36 -4.84 118.70 120.49 2zr4 s GLU 145 Ca 0.00 0.40 0.07 0.00 0.02 0.00 0.00 54.97 55.46 2zr4 s GLU 145 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 2zr4 s GLU 145 CO 0.00 0.07 -0.22 1.41 0.02 0.00 0.00 175.26 176.55 2zr4 s MET 146 N -3.57 2.12 0.85 1.61 -2.45 -1.26 -1.70 119.30 114.90 2zr4 s MET 146 Ca 0.50 -0.93 -0.10 0.00 -1.25 0.00 0.00 55.69 53.91 2zr4 s MET 146 Cb -0.10 -2.14 0.15 0.00 1.25 0.00 0.00 34.83 33.99 2zr4 s MET 146 CO 0.28 0.56 1.18 -1.54 1.05 0.00 0.00 175.02 176.54 2zr4 s SER 147 N -0.98 3.80 0.01 1.11 1.04 0.57 -4.78 113.70 114.47 2zr4 s SER 147 Ca 0.12 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2zr4 s SER 147 Cb -0.10 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.62 2zr4 s SER 147 CO 0.02 -2.27 0.00 0.61 0.98 0.00 0.00 173.24 172.57 2zr4 n GLY 148 N -3.35 1.85 3.70 7.32 0.00 0.44 -4.56 105.19 110.59 2zr4 n GLY 148 Ca 0.14 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2zr4 n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2zr4 s PRO 149 N 1.05 4.17 -0.17 1.61 0.02 -1.26 -4.59 135.00 135.83 2zr4 s PRO 149 Ca 0.00 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.49 2zr4 s PRO 149 Cb 0.00 -3.37 0.02 0.00 0.02 0.00 0.00 34.50 31.17 2zr4 s PRO 149 CO 0.00 -0.73 -0.19 0.08 -0.33 0.00 0.00 177.00 175.83 2zr4 s VAL 150 N 1.96 1.93 -0.09 3.83 1.01 -0.29 -4.77 120.40 123.98 2zr4 s VAL 150 Ca 0.75 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2zr4 s VAL 150 Cb -0.44 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2zr4 s VAL 150 CO 0.33 0.52 0.43 -0.36 0.00 0.00 0.00 175.10 176.02 2zr4 s PHE 151 N 1.30 3.57 0.14 5.22 0.40 -1.26 -0.26 117.98 127.09 2zr4 s PHE 151 Ca 0.04 0.88 0.03 0.00 -0.60 0.00 0.00 56.93 57.28 2zr4 s PHE 151 Cb -0.13 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 2zr4 s PHE 151 CO -0.11 0.33 0.12 0.25 0.70 0.00 0.00 175.22 176.50 2zr4 n THR 152 N 3.08 0.00 0.40 0.64 -2.24 -0.21 -4.72 114.28 111.24 2zr4 n THR 152 Ca -0.10 -1.04 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 2zr4 n THR 152 Cb 0.52 0.52 0.46 0.00 -2.10 0.00 0.00 70.33 69.73 2zr4 n THR 152 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2zr4 h ASP 153 N 0.87 0.00 0.98 3.42 3.32 -1.97 -2.95 116.42 120.09 2zr4 h ASP 153 Ca -0.10 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.74 2zr4 h ASP 153 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2zr4 h ASP 153 CO 0.15 0.00 -1.05 0.28 -1.72 0.00 0.00 179.24 176.89 2zr4 h SER 154 N 0.00 0.00 0.00 6.45 0.02 -1.95 -1.02 113.55 117.05 2zr4 h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2zr4 h SER 154 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2zr4 h SER 154 CO 0.00 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 177.20 2zr4 n GLY 155 N 1.36 0.04 3.39 -3.77 0.00 -1.11 -4.57 105.19 100.53 2zr4 n GLY 155 Ca -0.03 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2zr4 n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zr4 s ILE 156 N -4.00 3.03 0.24 -0.61 1.01 -0.68 -1.04 121.20 119.15 2zr4 s ILE 156 Ca 0.00 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.08 2zr4 s ILE 156 Cb 0.00 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 2zr4 s ILE 156 CO 0.00 0.54 -0.18 -1.00 0.00 0.00 0.00 174.94 174.30 2zr4 s HIS 157 N 0.10 2.37 -0.13 3.97 3.76 0.64 -0.96 115.29 125.04 2zr4 s HIS 157 Ca -0.06 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2zr4 s HIS 157 Cb -0.15 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.47 2zr4 s HIS 157 CO 0.05 0.62 -0.19 0.42 -0.85 0.00 0.00 174.74 174.78 2zr4 s ILE 158 N -2.16 1.85 -0.05 0.60 1.01 -0.61 -1.14 121.20 120.69 2zr4 s ILE 158 Ca 0.27 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2zr4 s ILE 158 Cb -0.06 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2zr4 s ILE 158 CO 0.14 0.51 -0.16 -0.63 0.00 0.00 0.00 174.94 174.79 2zr4 s ILE 159 N 0.89 2.86 -0.16 2.92 1.01 -1.26 -1.35 121.20 126.10 2zr4 s ILE 159 Ca -0.07 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2zr4 s ILE 159 Cb -0.15 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.24 2zr4 s ILE 159 CO -0.02 0.59 -0.14 -0.22 0.00 0.00 0.00 174.94 175.15 2zr4 s LEU 160 N -0.63 1.87 -0.19 2.97 2.96 -0.22 -0.32 118.68 125.12 2zr4 s LEU 160 Ca 0.09 -0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 53.15 2zr4 s LEU 160 Cb -0.11 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 2zr4 s LEU 160 CO 0.01 -0.07 0.86 -0.60 -1.32 0.00 0.00 176.35 175.23 2zr4 s ARG 161 N 1.44 4.28 -0.02 1.98 3.52 -0.69 -0.83 118.95 128.62 2zr4 s ARG 161 Ca 0.04 1.05 0.18 0.00 -0.13 0.00 0.00 55.73 56.87 2zr4 s ARG 161 Cb -0.14 -3.59 -0.28 0.00 -1.56 0.00 0.00 34.95 29.38 2zr4 s ARG 161 CO -0.10 -0.40 0.43 0.25 -0.81 0.00 0.00 175.30 174.67 2zr4 n THR 162 N 4.89 0.00 -1.41 4.11 -2.24 0.20 -0.30 114.28 119.53 2zr4 n THR 162 Ca 0.06 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2zr4 n THR 162 Cb 0.48 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2zr4 n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88