#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zr6 n LEU 7 N 0.00 -2.27 0.00 -0.35 4.77 -1.26 -5.00 117.00 112.88 2zr6 n LEU 7 Ca 0.00 0.90 -0.11 0.00 -0.03 0.00 0.00 56.01 56.77 2zr6 n LEU 7 Cb 0.00 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2zr6 n LEU 7 CO 0.00 -0.02 0.16 -2.65 -1.33 0.00 0.00 177.39 173.55 2zr6 n PRO 8 N -0.61 -2.70 -1.74 3.23 -0.02 -1.26 -4.81 135.00 127.09 2zr6 n PRO 8 Ca 0.00 -0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 60.49 2zr6 n PRO 8 Cb 0.00 -0.67 -0.02 0.00 -0.02 0.00 0.00 33.50 32.78 2zr6 n PRO 8 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2zr6 s PRO 9 N -3.81 4.12 0.00 0.52 0.02 -1.26 -2.62 135.00 131.96 2zr6 s PRO 9 Ca 0.25 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.88 2zr6 s PRO 9 Cb -0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2zr6 s PRO 9 CO 0.21 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2zr6 n GLY 10 N 2.95 0.46 3.57 0.52 0.00 -1.26 -4.96 105.19 106.46 2zr6 n GLY 10 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2zr6 n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2zr6 s TRP 11 N -2.14 3.22 0.37 1.61 0.52 -1.08 -2.33 118.94 119.11 2zr6 s TRP 11 Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.32 2zr6 s TRP 11 Cb 0.00 -2.67 -0.07 0.00 -1.15 0.00 0.00 33.47 29.58 2zr6 s TRP 11 CO 0.00 -0.37 0.03 -2.00 0.02 0.00 0.00 176.95 174.63 2zr6 s GLU 12 N 2.08 1.81 0.49 4.98 2.12 0.30 -4.80 118.70 125.69 2zr6 s GLU 12 Ca 0.14 -2.02 0.02 0.00 0.36 0.00 0.00 54.97 53.47 2zr6 s GLU 12 Cb -0.16 -1.28 -0.02 0.00 0.26 0.00 0.00 34.13 32.93 2zr6 s GLU 12 CO 0.11 -0.11 0.02 0.21 -0.54 0.00 0.00 175.26 174.95 2zr6 s LYS 13 N -3.80 2.16 0.00 4.30 2.20 -1.26 -0.12 119.74 123.22 2zr6 s LYS 13 Ca 0.36 -2.34 0.00 0.00 -0.36 0.00 0.00 55.97 53.63 2zr6 s LYS 13 Cb 0.09 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 2zr6 s LYS 13 CO 0.17 -0.32 0.00 0.00 -0.36 0.00 0.00 175.35 174.84 2zr6 n ALA 14 N -1.23 0.00 -3.70 3.13 0.00 -1.02 -4.79 120.51 112.90 2zr6 n ALA 14 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 2zr6 n ALA 14 Cb 0.67 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 2zr6 n ALA 14 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2zr6 s MET 15 N -1.75 0.35 0.72 0.00 -1.94 -1.25 -1.85 119.30 113.58 2zr6 s MET 15 Ca 0.00 0.74 -0.14 0.00 -1.71 0.00 0.00 55.69 54.59 2zr6 s MET 15 Cb 0.00 -0.04 0.03 0.00 2.01 0.00 0.00 34.83 36.83 2zr6 s MET 15 CO 0.00 -0.16 1.13 0.45 -0.01 0.00 0.00 175.02 176.42 2zr6 s SER 16 N 1.40 4.62 1.05 3.03 0.15 -1.25 -4.88 113.70 117.83 2zr6 s SER 16 Ca -0.09 2.04 -0.18 0.00 0.70 0.00 0.00 55.95 58.41 2zr6 s SER 16 Cb -0.09 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2zr6 s SER 16 CO -0.12 -1.96 -0.21 0.54 1.20 0.00 0.00 173.24 172.70 2zr6 n ARG 17 N -2.88 -0.88 -2.22 5.44 1.74 -1.26 -3.46 116.66 113.14 2zr6 n ARG 17 Ca 0.11 -0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 56.94 2zr6 n ARG 17 Cb 0.52 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2zr6 n ARG 17 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2zr6 n SER 18 N -0.33 0.00 0.00 0.55 7.64 -1.26 -4.71 113.62 115.51 2zr6 n SER 18 Ca 0.02 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2zr6 n SER 18 Cb 0.62 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2zr6 n SER 18 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2zr6 n SER 19 N 0.40 0.00 -4.56 6.43 3.41 -1.22 -5.11 113.62 112.96 2zr6 n SER 19 Ca -0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2zr6 n SER 19 Cb 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2zr6 n SER 19 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2zr6 s GLY 20 N 0.00 0.64 -0.19 5.00 0.00 -1.26 -4.00 107.32 107.51 2zr6 s GLY 20 Ca 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.88 2zr6 s GLY 20 CO 0.00 3.16 -0.16 0.50 0.00 0.00 0.00 173.10 176.59 2zr6 s ARG 21 N 6.12 2.63 -0.48 2.90 3.00 -1.26 -5.03 118.95 126.84 2zr6 s ARG 21 Ca 0.60 -0.89 -0.26 0.00 0.00 0.00 0.00 55.73 55.18 2zr6 s ARG 21 Cb -0.04 -2.55 0.03 0.00 0.00 0.00 0.00 34.95 32.39 2zr6 s ARG 21 CO -0.04 -0.31 0.96 0.08 0.00 0.00 0.00 175.30 175.99 2zr6 s VAL 22 N 1.29 4.42 0.08 3.52 1.01 -1.26 -3.74 120.40 125.72 2zr6 s VAL 22 Ca 0.01 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.76 2zr6 s VAL 22 Cb -0.15 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 2zr6 s VAL 22 CO -0.11 -0.90 0.07 0.00 0.00 0.00 0.00 175.10 174.16 2zr6 n TYR 23 N 7.31 -0.18 -4.28 5.22 4.11 -0.77 -4.92 117.16 123.64 2zr6 n TYR 23 Ca 0.06 -0.65 -0.33 0.00 -0.00 0.00 0.00 57.90 56.98 2zr6 n TYR 23 Cb 0.48 0.07 -0.15 0.00 -0.00 0.00 0.00 39.34 39.74 2zr6 n TYR 23 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2zr6 s TYR 24 N -2.31 2.81 0.33 -3.48 1.51 0.04 -2.44 117.35 113.81 2zr6 s TYR 24 Ca 0.09 -1.24 0.08 0.00 -1.01 0.00 0.00 57.07 55.00 2zr6 s TYR 24 Cb 0.00 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 2zr6 s TYR 24 CO 0.07 -0.61 0.13 0.12 -1.11 0.00 0.00 175.55 174.15 2zr6 s PHE 25 N 1.10 2.72 -0.20 2.71 5.36 0.83 -1.88 117.98 128.62 2zr6 s PHE 25 Ca 0.00 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 55.57 2zr6 s PHE 25 Cb -0.14 -1.59 0.07 0.00 -0.34 0.00 0.00 43.02 41.02 2zr6 s PHE 25 CO -0.05 0.37 0.12 1.21 -1.46 0.00 0.00 175.22 175.40 2zr6 s ASN 26 N -3.83 2.42 0.00 6.13 3.84 -0.98 -0.54 114.94 121.98 2zr6 s ASN 26 Ca 0.37 -0.68 0.15 0.00 0.21 0.00 0.00 52.86 52.91 2zr6 s ASN 26 Cb -0.03 -0.17 0.81 0.00 -0.55 0.00 0.00 41.25 41.30 2zr6 s ASN 26 CO 0.22 -0.36 1.40 0.00 -2.79 0.00 0.00 177.10 175.57 2zr6 n HIS 27 N 5.28 0.00 -0.09 0.43 1.44 -0.98 0.74 115.22 122.04 2zr6 n HIS 27 Ca -0.07 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.49 2zr6 n HIS 27 Cb 0.48 -0.20 -0.14 0.00 0.12 0.00 0.00 29.99 30.25 2zr6 n HIS 27 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2zr6 n ILE 28 N -1.20 1.53 -0.12 0.61 2.08 -1.26 -4.64 119.36 116.34 2zr6 n ILE 28 Ca 0.08 -0.70 -0.21 0.00 0.56 0.00 0.00 62.75 62.49 2zr6 n ILE 28 Cb 0.10 -1.15 -0.12 0.00 -0.75 0.00 0.00 39.64 37.73 2zr6 n ILE 28 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2zr6 n THR 29 N -3.12 1.52 -1.37 1.39 -2.24 -1.12 -4.39 114.28 104.94 2zr6 n THR 29 Ca -0.36 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 2zr6 n THR 29 Cb 1.06 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2zr6 n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2zr6 n ASN 30 N -3.49 -1.47 -4.78 3.42 5.03 0.23 -2.38 115.26 111.82 2zr6 n ASN 30 Ca -0.47 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 54.60 2zr6 n ASN 30 Cb 0.97 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 39.25 2zr6 n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2zr6 s ALA 31 N -2.00 3.53 -0.03 5.41 0.00 -1.25 -3.05 121.76 124.37 2zr6 s ALA 31 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2zr6 s ALA 31 Cb 0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 2zr6 s ALA 31 CO 0.00 0.23 -0.16 -1.12 0.00 0.00 0.00 175.76 174.70 2zr6 s SER 32 N -0.36 2.01 0.14 0.00 0.01 -1.26 -2.33 113.70 111.91 2zr6 s SER 32 Ca 0.29 -0.32 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 2zr6 s SER 32 Cb -0.18 -0.45 0.07 0.00 0.21 0.00 0.00 66.02 65.67 2zr6 s SER 32 CO 0.16 0.16 0.62 0.00 0.41 0.00 0.00 173.24 174.59 2zr6 s GLN 33 N -0.09 1.25 -0.14 12.44 -2.07 -0.79 -5.01 119.66 125.25 2zr6 s GLN 33 Ca -0.00 -0.44 -0.16 0.00 -1.82 0.00 0.00 55.36 52.94 2zr6 s GLN 33 Cb -0.10 0.58 -0.14 0.00 -1.09 0.00 0.00 33.01 32.26 2zr6 s GLN 33 CO 0.01 -0.54 0.33 -1.49 -1.32 0.00 0.00 175.29 172.28 2zr6 h TRP 34 N 2.03 0.00 -3.00 9.60 4.06 -1.91 0.16 115.95 126.90 2zr6 h TRP 34 Ca -0.33 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.05 2zr6 h TRP 34 Cb 1.30 0.00 0.19 0.00 -1.00 0.00 0.00 29.16 29.65 2zr6 h TRP 34 CO 0.24 0.62 -0.59 0.39 -3.56 0.00 0.00 178.44 175.54 2zr6 n GLU 35 N -4.64 0.23 -2.95 0.49 4.71 -1.26 -4.45 120.64 112.76 2zr6 n GLU 35 Ca -0.09 0.11 -0.40 0.00 -0.01 0.00 0.00 57.16 56.76 2zr6 n GLU 35 Cb 0.32 -1.68 -0.05 0.00 -1.01 0.00 0.00 31.44 29.03 2zr6 n GLU 35 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2zr6 s ARG 36 N -2.53 4.52 0.11 3.49 3.52 -1.26 -4.72 118.95 122.08 2zr6 s ARG 36 Ca 0.62 1.12 -0.25 0.00 -0.13 0.00 0.00 55.73 57.09 2zr6 s ARG 36 Cb -0.35 -3.36 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 2zr6 s ARG 36 CO 0.61 0.29 1.67 -1.00 -0.81 0.00 0.00 175.30 176.06 2zr6 h PRO 37 N 5.58 -0.30 -5.68 5.12 0.13 -1.96 -3.45 132.00 131.44 2zr6 h PRO 37 Ca -0.44 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 2zr6 h PRO 37 Cb 1.21 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 2zr6 h PRO 37 CO 0.71 -0.20 -0.76 -1.54 -0.23 0.00 0.00 178.00 175.98 2zr6 s SER 38 N -4.94 2.52 0.00 1.44 1.04 -1.26 -5.03 113.70 107.47 2zr6 s SER 38 Ca -0.15 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2zr6 s SER 38 Cb 0.08 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2zr6 s SER 38 CO 0.66 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2zr6 n GLY 39 N 0.03 0.05 3.08 7.32 0.00 -1.26 -4.89 105.19 109.52 2zr6 n GLY 39 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2zr6 n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zr6 s GLY 45 N -1.27 2.26 -0.15 -0.02 0.00 -1.26 -5.10 107.32 101.79 2zr6 s GLY 45 Ca 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 44.72 41.75 2zr6 s GLY 45 CO 0.00 1.05 0.06 1.25 0.00 0.00 0.00 173.10 175.46 2zr6 s LYS 46 N 0.43 0.33 0.37 2.90 2.20 -1.26 -5.15 119.74 119.56 2zr6 s LYS 46 Ca 0.13 -0.13 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 2zr6 s LYS 46 Cb -0.22 -1.68 -0.07 0.00 -1.51 0.00 0.00 37.83 34.35 2zr6 s LYS 46 CO -0.04 -0.58 -0.05 0.54 -0.36 0.00 0.00 175.35 174.87 2zr6 s ASN 47 N 2.02 3.81 0.00 1.43 4.22 -1.26 -4.67 114.94 120.49 2zr6 s ASN 47 Ca 0.02 -1.25 0.00 0.00 -2.14 0.00 0.00 52.86 49.49 2zr6 s ASN 47 Cb -0.15 -0.38 0.00 0.00 1.28 0.00 0.00 41.25 42.00 2zr6 s ASN 47 CO -0.07 -0.29 0.00 0.61 -2.04 0.00 0.00 177.10 175.30 2zr6 n GLY 48 N -0.87 2.01 0.00 0.45 0.00 -1.26 -4.96 105.19 100.56 2zr6 n GLY 48 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2zr6 n GLY 48 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2zr6 n GLN 49 N -2.00 0.00 0.00 1.61 7.27 -1.26 -4.92 117.38 118.08 2zr6 n GLN 49 Ca 0.00 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.22 2zr6 n GLN 49 Cb 0.00 -0.71 0.00 0.00 2.41 0.00 0.00 30.24 31.94 2zr6 n GLN 49 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2zr6 n GLY 50 N -0.35 1.18 3.39 1.69 0.00 -1.26 -4.94 105.19 104.90 2zr6 n GLY 50 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 2zr6 n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2zr6 s GLU 51 N 0.00 0.88 0.99 1.61 -1.05 -1.26 -5.07 118.70 114.80 2zr6 s GLU 51 Ca 0.00 0.04 -0.12 0.00 -0.15 0.00 0.00 54.97 54.74 2zr6 s GLU 51 Cb 0.00 0.41 0.18 0.00 -0.44 0.00 0.00 34.13 34.28 2zr6 s GLU 51 CO 0.00 -0.27 1.09 -1.25 0.95 0.00 0.00 175.26 175.78 2zr6 s PRO 52 N -1.29 0.51 -0.75 -4.83 0.04 -1.26 -4.94 135.00 122.47 2zr6 s PRO 52 Ca -0.12 0.60 -0.00 0.00 0.04 0.00 0.00 61.00 61.52 2zr6 s PRO 52 Cb -0.02 -1.74 0.37 0.00 0.04 0.00 0.00 34.50 33.14 2zr6 s PRO 52 CO 0.07 -2.70 1.80 0.00 0.04 0.00 0.00 177.00 176.22 2zr6 n ALA 53 N -4.16 6.17 0.00 8.56 0.00 -1.26 -4.87 120.51 124.95 2zr6 n ALA 53 Ca 0.05 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.32 2zr6 n ALA 53 Cb 0.57 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2zr6 n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2zr6 n ARG 54 N -0.52 0.00 -4.15 0.00 0.63 -1.26 -4.82 116.66 106.53 2zr6 n ARG 54 Ca 0.50 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.34 2zr6 n ARG 54 Cb 0.34 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.15 2zr6 n ARG 54 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2zr6 s VAL 55 N 0.00 0.39 -0.14 5.15 -7.23 -0.81 -4.91 120.40 112.85 2zr6 s VAL 55 Ca 0.00 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2zr6 s VAL 55 Cb 0.00 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 2zr6 s VAL 55 CO 0.00 -0.77 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.29 2zr6 s ARG 56 N -3.92 3.36 0.00 4.82 3.52 -0.61 -0.13 118.95 125.98 2zr6 s ARG 56 Ca 0.15 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2zr6 s ARG 56 Cb 0.07 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.81 2zr6 s ARG 56 CO -0.04 0.16 0.00 0.00 -0.81 0.00 0.00 175.30 174.61 2zr6 s SER 58 N -0.59 -0.44 0.14 0.00 0.01 -0.79 -2.71 113.70 109.32 2zr6 s SER 58 Ca 0.00 0.60 -0.18 0.00 1.31 0.00 0.00 55.95 57.68 2zr6 s SER 58 Cb 0.00 0.52 0.04 0.00 0.21 0.00 0.00 66.02 66.79 2zr6 s SER 58 CO 0.00 -0.33 0.46 -1.38 0.41 0.00 0.00 173.24 172.40 2zr6 s HIS 59 N -0.74 -0.25 -0.38 2.43 -3.43 -0.47 0.13 115.29 112.58 2zr6 s HIS 59 Ca -0.02 -0.05 0.03 0.00 -0.80 0.00 0.00 55.06 54.22 2zr6 s HIS 59 Cb -0.02 0.33 0.11 0.00 -1.43 0.00 0.00 32.58 31.58 2zr6 s HIS 59 CO 0.01 -0.76 0.11 -1.17 -2.00 0.00 0.00 174.74 170.93 2zr6 s LEU 60 N -2.81 4.12 -0.23 5.38 0.20 -0.90 -4.65 118.68 119.79 2zr6 s LEU 60 Ca 0.04 -2.29 -0.21 0.00 0.69 0.00 0.00 54.13 52.36 2zr6 s LEU 60 Cb 0.01 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.28 2zr6 s LEU 60 CO -0.11 -0.35 0.66 -0.22 -0.29 0.00 0.00 176.35 176.05 2zr6 s LEU 61 N 0.73 4.09 -0.30 -0.68 2.96 -1.26 -3.41 118.68 120.80 2zr6 s LEU 61 Ca 0.13 0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2zr6 s LEU 61 Cb -0.21 -2.92 0.04 0.00 0.50 0.00 0.00 46.19 43.60 2zr6 s LEU 61 CO -0.08 -0.36 0.02 -0.69 -1.32 0.00 0.00 176.35 173.91 2zr6 s VAL 62 N 2.36 3.19 0.54 1.68 1.01 -0.44 0.12 120.40 128.87 2zr6 s VAL 62 Ca 0.28 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 2zr6 s VAL 62 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2zr6 s VAL 62 CO 0.09 -0.06 0.88 -0.54 0.00 0.00 0.00 175.10 175.47 2zr6 s LYS 63 N 1.31 3.45 0.00 2.72 1.02 -1.26 -2.39 119.74 124.59 2zr6 s LYS 63 Ca -0.03 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2zr6 s LYS 63 Cb -0.19 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2zr6 s LYS 63 CO -0.01 -0.40 0.00 -2.39 -0.92 0.00 0.00 175.35 171.64 2zr6 n HIS 64 N -2.46 0.00 -0.05 3.18 1.44 -1.26 -4.83 115.22 111.24 2zr6 n HIS 64 Ca 0.03 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.60 2zr6 n HIS 64 Cb 0.55 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.58 2zr6 n HIS 64 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2zr6 h SER 65 N 0.00 0.44 0.00 4.39 4.64 -1.23 -3.19 113.55 118.59 2zr6 h SER 65 Ca 0.00 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2zr6 h SER 65 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2zr6 h SER 65 CO 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 176.83 176.87 2zr6 n GLN 66 N -4.46 0.95 -2.70 4.77 6.02 -1.26 -4.74 117.38 115.96 2zr6 n GLN 66 Ca -0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.58 2zr6 n GLN 66 Cb 0.44 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 2zr6 n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2zr6 s SER 67 N 0.03 6.78 0.01 1.08 0.01 -1.21 -4.98 113.70 115.42 2zr6 s SER 67 Ca 0.00 1.82 -0.03 0.00 1.31 0.00 0.00 55.95 59.05 2zr6 s SER 67 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2zr6 s SER 67 CO 0.00 -0.47 1.05 0.08 0.41 0.00 0.00 173.24 174.30 2zr6 h ARG 68 N 1.99 -0.03 -3.53 12.44 0.11 -0.88 -3.23 114.38 121.26 2zr6 h ARG 68 Ca -0.49 0.00 -0.76 0.00 0.10 0.00 0.00 59.98 58.84 2zr6 h ARG 68 Cb 1.20 0.01 -0.31 0.00 1.11 0.00 0.00 29.97 31.98 2zr6 h ARG 68 CO 0.61 -0.02 0.14 0.50 0.10 0.00 0.00 179.97 181.30 2zr6 s ARG 69 N -3.23 3.66 0.00 0.08 3.52 -1.26 -4.94 118.95 116.78 2zr6 s ARG 69 Ca -0.01 -3.05 0.00 0.00 -0.13 0.00 0.00 55.73 52.53 2zr6 s ARG 69 Cb 0.01 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.13 2zr6 s ARG 69 CO 0.05 -1.25 0.19 -0.35 -0.81 0.00 0.00 175.30 173.14 2zr6 n PRO 70 N 2.86 0.00 -3.71 5.12 -0.04 -1.22 -4.60 135.00 133.41 2zr6 n PRO 70 Ca 0.20 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2zr6 n PRO 70 Cb 0.40 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2zr6 n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2zr6 s SER 71 N 2.34 -0.50 0.10 3.54 0.15 -1.26 -0.62 113.70 117.44 2zr6 s SER 71 Ca 0.00 0.90 -0.11 0.00 0.70 0.00 0.00 55.95 57.44 2zr6 s SER 71 Cb 0.00 0.84 0.01 0.00 -1.71 0.00 0.00 66.02 65.16 2zr6 s SER 71 CO 0.00 -0.18 0.26 -0.94 1.20 0.00 0.00 173.24 173.58 2zr6 s SER 72 N 0.93 -0.00 0.14 5.45 1.04 -1.15 -5.01 113.70 115.09 2zr6 s SER 72 Ca -0.06 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.87 2zr6 s SER 72 Cb -0.06 0.38 0.14 0.00 0.10 0.00 0.00 66.02 66.58 2zr6 s SER 72 CO -0.08 -0.76 0.79 -2.67 0.98 0.00 0.00 173.24 171.50 2zr6 n TRP 73 N -0.09 0.09 -0.07 5.02 4.27 -1.26 -1.16 117.44 124.24 2zr6 n TRP 73 Ca -0.15 0.04 -0.14 0.00 -3.89 0.00 0.00 57.50 53.36 2zr6 n TRP 73 Cb 0.63 -0.21 -0.14 0.00 -1.36 0.00 0.00 31.31 30.23 2zr6 n TRP 73 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2zr6 n ARG 74 N -1.45 0.68 -3.63 -2.67 1.74 -1.26 -4.90 116.66 105.17 2zr6 n ARG 74 Ca -0.00 0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 2zr6 n ARG 74 Cb 0.44 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 30.14 2zr6 n ARG 74 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2zr6 s GLN 75 N -2.54 0.16 0.58 5.56 -2.07 -0.31 -5.04 119.66 116.01 2zr6 s GLN 75 Ca -0.18 0.69 0.30 0.00 -1.82 0.00 0.00 55.36 54.36 2zr6 s GLN 75 Cb 0.07 -0.17 1.43 0.00 -1.09 0.00 0.00 33.01 33.26 2zr6 s GLN 75 CO 0.76 -0.34 1.81 1.49 -1.32 0.00 0.00 175.29 177.69 2zr6 h GLU 76 N 8.28 0.00 -2.46 9.60 4.81 -1.91 -3.05 114.58 129.85 2zr6 h GLU 76 Ca -0.15 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.75 2zr6 h GLU 76 Cb 1.12 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.14 2zr6 h GLU 76 CO 0.15 0.00 -0.64 0.21 -0.73 0.00 0.00 179.01 178.00 2zr6 s LYS 77 N -4.71 0.22 0.04 1.92 2.47 -1.26 -4.60 119.74 113.82 2zr6 s LYS 77 Ca -0.04 0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.13 2zr6 s LYS 77 Cb 0.18 -1.09 -0.08 0.00 -1.46 0.00 0.00 37.83 35.38 2zr6 s LYS 77 CO 0.62 -0.77 1.61 0.42 0.16 0.00 0.00 175.35 177.40 2zr6 s ILE 78 N 2.31 3.21 -0.37 5.43 -1.09 0.21 -4.89 121.20 126.01 2zr6 s ILE 78 Ca 0.08 0.61 0.09 0.00 -2.23 0.00 0.00 60.65 59.19 2zr6 s ILE 78 Cb -0.15 -3.39 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 2zr6 s ILE 78 CO -0.19 -0.01 0.36 0.35 -1.23 0.00 0.00 174.94 174.22 2zr6 n THR 79 N 4.81 0.00 -2.00 2.92 -2.24 -1.26 -4.64 114.28 111.86 2zr6 n THR 79 Ca 0.16 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 2zr6 n THR 79 Cb 0.41 0.91 0.02 0.00 -2.10 0.00 0.00 70.33 69.57 2zr6 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2zr6 s ARG 80 N -1.94 3.26 0.14 -0.78 1.70 -1.26 -4.83 118.95 115.23 2zr6 s ARG 80 Ca 0.03 1.21 0.04 0.00 -0.47 0.00 0.00 55.73 56.53 2zr6 s ARG 80 Cb 0.07 -2.02 -0.04 0.00 -0.57 0.00 0.00 34.95 32.38 2zr6 s ARG 80 CO 0.37 -0.86 0.17 0.95 -1.08 0.00 0.00 175.30 174.85 2zr6 s THR 81 N -2.47 4.80 0.10 4.99 -4.23 -1.26 -0.81 115.64 116.77 2zr6 s THR 81 Ca 0.64 -0.86 -0.19 0.00 -1.18 0.00 0.00 61.69 60.10 2zr6 s THR 81 Cb -0.16 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 2zr6 s THR 81 CO 0.38 -0.04 1.02 0.29 -0.54 0.00 0.00 174.62 175.73 2zr6 n LYS 82 N -0.20 -0.27 -0.25 3.99 5.02 -1.26 0.15 118.16 125.34 2zr6 n LYS 82 Ca -0.08 1.00 0.05 0.00 -2.02 0.00 0.00 58.31 57.26 2zr6 n LYS 82 Cb 0.54 -1.47 0.16 0.00 -0.02 0.00 0.00 35.03 34.23 2zr6 n LYS 82 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2zr6 h GLU 83 N 0.00 0.12 0.07 1.97 3.07 -1.98 1.37 114.58 119.21 2zr6 h GLU 83 Ca 0.10 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2zr6 h GLU 83 Cb 0.25 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2zr6 h GLU 83 CO -0.58 0.08 -0.03 0.93 -1.40 0.00 0.00 179.01 178.01 2zr6 h GLU 84 N 0.13 -0.09 -0.11 2.33 5.08 0.10 -0.90 114.58 121.12 2zr6 h GLU 84 Ca 0.40 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.80 2zr6 h GLU 84 Cb 0.71 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2zr6 h GLU 84 CO -0.63 0.28 0.09 0.00 -1.00 0.00 0.00 179.01 177.75 2zr6 h ALA 85 N 0.40 1.89 0.16 3.43 0.00 0.21 -1.17 119.26 124.18 2zr6 h ALA 85 Ca -0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2zr6 h ALA 85 Cb 0.41 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2zr6 h ALA 85 CO 0.02 -0.15 -0.93 1.25 0.00 0.00 0.00 179.25 179.44 2zr6 h LEU 86 N 0.00 0.55 -2.52 0.00 5.85 0.20 -2.46 115.31 116.93 2zr6 h LEU 86 Ca 0.05 -0.94 -0.00 0.00 0.84 0.00 0.00 57.88 57.83 2zr6 h LEU 86 Cb 0.23 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2zr6 h LEU 86 CO -0.00 1.45 -0.01 1.05 -0.34 0.00 0.00 178.44 180.59 2zr6 h GLU 87 N -0.26 0.00 -0.01 1.25 4.11 -0.64 -1.76 114.58 117.27 2zr6 h GLU 87 Ca -0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.19 2zr6 h GLU 87 Cb 1.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.99 2zr6 h GLU 87 CO 0.18 0.01 -0.29 1.25 0.07 0.00 0.00 179.01 180.23 2zr6 h LEU 88 N 0.00 0.27 -0.78 3.06 6.46 -1.15 -2.87 115.31 120.29 2zr6 h LEU 88 Ca -0.00 -0.76 -0.02 0.00 -0.12 0.00 0.00 57.88 56.98 2zr6 h LEU 88 Cb 0.04 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 2zr6 h LEU 88 CO 0.00 0.99 0.43 0.40 -0.62 0.00 0.00 178.44 179.64 2zr6 h ILE 89 N -0.43 1.24 -0.04 4.05 5.03 -0.92 -2.40 117.51 124.03 2zr6 h ILE 89 Ca -0.03 -0.59 0.04 0.00 -0.12 0.00 0.00 64.86 64.15 2zr6 h ILE 89 Cb 1.03 0.19 -0.05 0.00 -3.03 0.00 0.00 36.82 34.97 2zr6 h ILE 89 CO 0.06 0.26 -0.26 0.78 -0.68 0.00 0.00 178.15 178.31 2zr6 h ASN 90 N 1.09 -0.79 -0.71 1.72 2.35 -1.41 0.18 115.58 118.02 2zr6 h ASN 90 Ca 0.28 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 56.29 2zr6 h ASN 90 Cb 0.04 0.33 -0.11 0.00 0.05 0.00 0.00 38.32 38.62 2zr6 h ASN 90 CO -0.04 -0.32 0.10 1.23 -1.65 0.00 0.00 177.43 176.74 2zr6 h GLY 91 N -0.38 0.89 1.46 2.83 0.00 -1.22 0.52 103.07 107.18 2zr6 h GLY 91 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2zr6 h GLY 91 CO -0.25 -0.22 0.01 -0.97 0.00 0.00 0.00 176.54 175.11 2zr6 h TYR 92 N 0.19 0.70 -0.72 5.60 0.05 -0.79 -0.75 116.97 121.25 2zr6 h TYR 92 Ca 0.39 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 59.04 2zr6 h TYR 92 Cb 0.67 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 2zr6 h TYR 92 CO -0.32 0.66 0.27 0.82 -1.05 0.00 0.00 178.16 178.54 2zr6 h ILE 93 N 0.64 1.25 -0.13 -2.88 1.08 0.26 -0.23 117.51 117.50 2zr6 h ILE 93 Ca 0.13 -0.81 0.04 0.00 -0.39 0.00 0.00 64.86 63.83 2zr6 h ILE 93 Cb 0.38 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 2zr6 h ILE 93 CO 0.01 0.32 -0.15 -0.61 -0.69 0.00 0.00 178.15 177.04 2zr6 h GLN 94 N 1.04 -0.18 -0.27 2.37 -0.00 0.12 -1.69 115.11 116.51 2zr6 h GLN 94 Ca 0.24 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.78 2zr6 h GLN 94 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 2zr6 h GLN 94 CO -0.02 -0.12 -0.34 0.87 0.00 0.00 0.00 178.83 179.22 2zr6 h LYS 95 N -0.19 0.59 0.42 1.69 1.57 -0.93 -1.85 116.57 117.88 2zr6 h LYS 95 Ca 0.09 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2zr6 h LYS 95 Cb 0.32 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2zr6 h LYS 95 CO -0.24 0.86 -0.24 0.82 -0.57 0.00 0.00 179.45 180.08 2zr6 h ILE 96 N 0.50 0.51 -0.36 1.86 1.08 -0.62 -0.38 117.51 120.11 2zr6 h ILE 96 Ca 0.05 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.44 2zr6 h ILE 96 Cb 0.83 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 2zr6 h ILE 96 CO 0.07 0.00 -0.14 0.11 -0.69 0.00 0.00 178.15 177.50 2zr6 h LYS 97 N -0.62 0.64 -0.35 2.37 1.57 -1.34 -2.94 116.57 115.90 2zr6 h LYS 97 Ca -0.05 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2zr6 h LYS 97 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2zr6 h LYS 97 CO 0.06 0.75 -0.14 0.66 -0.57 0.00 0.00 179.45 180.22 2zr6 h SER 98 N 0.58 0.73 0.00 0.86 4.64 -1.26 -3.47 113.55 115.63 2zr6 h SER 98 Ca 0.10 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2zr6 h SER 98 Cb 0.57 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2zr6 h SER 98 CO 0.04 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.57 2zr6 n GLY 99 N -0.09 0.92 0.36 -0.77 0.00 -0.19 -5.00 105.19 100.42 2zr6 n GLY 99 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2zr6 n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2zr6 h GLU 100 N 1.43 0.93 -4.00 1.61 5.08 -1.73 -3.44 114.58 114.46 2zr6 h GLU 100 Ca 0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2zr6 h GLU 100 Cb 0.00 -0.21 -0.14 0.00 0.50 0.00 0.00 28.75 28.90 2zr6 h GLU 100 CO 0.00 0.62 -0.50 -1.21 -1.00 0.00 0.00 179.01 176.92 2zr6 s GLU 101 N -5.86 0.77 0.04 2.33 0.41 -1.22 -5.07 118.70 110.10 2zr6 s GLU 101 Ca -0.11 -1.09 0.02 0.00 -0.41 0.00 0.00 54.97 53.38 2zr6 s GLU 101 Cb 0.20 0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 32.80 2zr6 s GLU 101 CO 0.80 -0.21 0.05 0.16 -0.49 0.00 0.00 175.26 175.56 2zr6 s ASP 102 N -2.90 5.38 0.05 -0.19 -4.77 -1.26 -4.10 116.67 108.88 2zr6 s ASP 102 Ca 0.07 -0.00 -0.10 0.00 -3.30 0.00 0.00 52.55 49.22 2zr6 s ASP 102 Cb 0.06 -1.43 -0.02 0.00 -1.09 0.00 0.00 42.92 40.44 2zr6 s ASP 102 CO -0.10 0.22 0.79 0.33 0.70 0.00 0.00 175.17 177.11 2zr6 n PHE 103 N 0.87 -0.14 -0.10 2.11 -0.00 -1.26 -1.08 117.46 117.86 2zr6 n PHE 103 Ca -0.11 0.39 -0.06 0.00 -0.00 0.00 0.00 57.45 57.66 2zr6 n PHE 103 Cb 0.52 -0.43 -0.05 0.00 -0.00 0.00 0.00 39.48 39.52 2zr6 n PHE 103 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2zr6 h GLU 104 N 0.00 -0.14 -1.29 -4.13 3.07 -1.96 0.17 114.58 110.29 2zr6 h GLU 104 Ca 0.05 0.01 0.42 0.00 -0.50 0.00 0.00 59.36 59.34 2zr6 h GLU 104 Cb 0.13 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 27.94 2zr6 h GLU 104 CO -0.29 -0.09 0.83 1.03 -1.40 0.00 0.00 179.01 179.09 2zr6 h SER 105 N -0.14 0.26 0.09 1.42 0.87 -1.43 0.26 113.55 114.86 2zr6 h SER 105 Ca 0.05 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2zr6 h SER 105 Cb 0.27 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2zr6 h SER 105 CO -0.34 -0.18 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.68 2zr6 h LEU 106 N 0.10 -0.10 -0.86 2.23 3.38 0.00 -2.98 115.31 117.08 2zr6 h LEU 106 Ca 0.81 -0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.78 2zr6 h LEU 106 Cb 2.50 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 43.16 2zr6 h LEU 106 CO -0.43 0.47 0.40 0.00 0.09 0.00 0.00 178.44 178.97 2zr6 h ALA 107 N -0.80 1.33 -0.68 1.53 0.00 -0.08 0.14 119.26 120.70 2zr6 h ALA 107 Ca -0.01 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2zr6 h ALA 107 Cb 0.27 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2zr6 h ALA 107 CO 0.02 -0.24 0.30 0.77 0.00 0.00 0.00 179.25 180.10 2zr6 h SER 108 N 0.48 0.36 1.11 0.00 0.02 -0.62 -0.76 113.55 114.15 2zr6 h SER 108 Ca 0.51 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 2zr6 h SER 108 Cb 0.87 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2zr6 h SER 108 CO -0.46 0.20 -0.89 1.56 -1.14 0.00 0.00 176.83 176.10 2zr6 h GLN 109 N 0.52 0.00 0.00 3.45 4.20 -0.72 -3.43 115.11 119.13 2zr6 h GLN 109 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 2zr6 h GLN 109 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2zr6 h GLN 109 CO -0.29 0.02 -0.09 1.19 -0.67 0.00 0.00 178.83 179.00 2zr6 n PHE 110 N -2.75 0.00 -1.55 2.96 3.72 0.24 -5.06 117.46 115.01 2zr6 n PHE 110 Ca -0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 2zr6 n PHE 110 Cb 0.57 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.07 2zr6 n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2zr6 n SER 111 N -0.28 2.87 -0.95 4.37 2.88 -0.30 -4.79 113.62 117.41 2zr6 n SER 111 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2zr6 n SER 111 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 2zr6 n SER 111 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2zr6 n ASP 112 N 11.56 0.88 -4.25 -3.46 8.00 0.32 -4.57 116.55 125.03 2zr6 n ASP 112 Ca 0.34 -0.63 -0.24 0.00 0.71 0.00 0.00 54.79 54.97 2zr6 n ASP 112 Cb 0.40 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.21 2zr6 n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zr6 h SER 114 N 4.57 0.00 0.28 0.00 0.87 -1.99 -1.77 113.55 115.51 2zr6 h SER 114 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2zr6 h SER 114 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2zr6 h SER 114 CO 0.42 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.18 2zr6 n SER 115 N -3.03 0.00 -0.17 6.23 3.41 -1.26 -3.49 113.62 115.31 2zr6 n SER 115 Ca -0.01 -0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.45 2zr6 n SER 115 Cb 0.33 -0.23 0.06 0.00 -0.26 0.00 0.00 64.21 64.12 2zr6 n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2zr6 h ALA 116 N 2.96 0.65 0.00 7.33 0.00 -1.56 0.11 119.26 128.75 2zr6 h ALA 116 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2zr6 h ALA 116 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2zr6 h ALA 116 CO 0.00 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.45 2zr6 n LYS 117 N -4.95 0.28 -2.36 0.00 2.85 -1.23 -1.82 118.16 110.92 2zr6 n LYS 117 Ca 0.05 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.30 2zr6 n LYS 117 Cb 0.18 -1.20 0.07 0.00 -0.65 0.00 0.00 35.03 33.43 2zr6 n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2zr6 n ALA 118 N 0.49 2.87 -0.64 0.58 0.00 0.25 -4.95 120.51 119.12 2zr6 n ALA 118 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.80 2zr6 n ALA 118 Cb 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2zr6 n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2zr6 n ARG 119 N -0.83 -0.46 -0.02 0.00 5.12 -0.76 -0.38 116.66 119.34 2zr6 n ARG 119 Ca -0.09 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2zr6 n ARG 119 Cb 0.86 -4.52 0.00 0.00 -1.16 0.00 0.00 32.46 27.63 2zr6 n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2zr6 n GLY 120 N -1.33 0.72 3.75 -0.13 0.00 -0.31 -4.38 105.19 103.51 2zr6 n GLY 120 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2zr6 n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zr6 s ASP 121 N -2.56 5.09 0.00 1.61 2.15 0.49 -1.37 116.67 122.07 2zr6 s ASP 121 Ca 0.00 2.33 0.00 0.00 0.43 0.00 0.00 52.55 55.31 2zr6 s ASP 121 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2zr6 s ASP 121 CO 0.00 -1.66 0.15 0.18 -0.17 0.00 0.00 175.17 173.67 2zr6 n LEU 122 N -1.79 0.29 -1.23 -1.34 4.77 -1.10 -4.80 117.00 111.80 2zr6 n LEU 122 Ca 0.13 -0.30 0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2zr6 n LEU 122 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2zr6 n LEU 122 CO 0.45 0.07 -0.50 0.61 -1.33 0.00 0.00 177.39 176.69 2zr6 n GLY 123 N 0.01 -3.46 3.76 -0.72 0.00 -1.25 -4.81 105.19 98.72 2zr6 n GLY 123 Ca 0.00 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2zr6 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zr6 n ALA 124 N -3.49 2.01 -2.30 4.61 0.00 -1.26 -4.15 120.51 115.93 2zr6 n ALA 124 Ca -0.06 0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 2zr6 n ALA 124 Cb 0.52 -2.39 -0.09 0.00 0.00 0.00 0.00 19.45 17.49 2zr6 n ALA 124 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2zr6 s PHE 125 N -1.20 0.46 0.22 0.00 -0.71 0.82 -4.90 117.98 112.66 2zr6 s PHE 125 Ca 0.62 -0.93 0.05 0.00 -1.04 0.00 0.00 56.93 55.64 2zr6 s PHE 125 Cb -0.44 -0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 2zr6 s PHE 125 CO 0.56 -0.49 0.27 -1.12 -1.34 0.00 0.00 175.22 173.11 2zr6 s SER 126 N -2.93 5.99 0.00 1.98 0.01 -1.26 -1.92 113.70 115.57 2zr6 s SER 126 Ca 0.11 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2zr6 s SER 126 Cb 0.07 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2zr6 s SER 126 CO -0.07 -0.02 0.65 0.54 0.41 0.00 0.00 173.24 174.75 2zr6 n ARG 127 N -1.07 0.00 0.00 12.44 1.74 -1.26 -2.28 116.66 126.23 2zr6 n ARG 127 Ca -0.08 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.71 2zr6 n ARG 127 Cb 0.56 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2zr6 n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zr6 n GLY 128 N 3.38 0.00 0.20 -0.13 0.00 -1.26 -4.98 105.19 102.40 2zr6 n GLY 128 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2zr6 n GLY 128 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2zr6 h GLN 129 N 0.00 0.00 -6.18 1.61 4.15 -1.86 -3.47 115.11 109.35 2zr6 h GLN 129 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 2zr6 h GLN 129 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 2zr6 h GLN 129 CO 0.00 0.07 -0.57 -1.64 -1.93 0.00 0.00 178.83 174.76 2zr6 s MET 130 N -3.18 2.56 -0.02 1.69 -1.94 -1.26 -5.06 119.30 112.07 2zr6 s MET 130 Ca 0.06 -1.31 -0.30 0.00 -1.71 0.00 0.00 55.69 52.44 2zr6 s MET 130 Cb 0.06 -2.32 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 2zr6 s MET 130 CO 0.69 0.32 1.75 -0.65 -0.01 0.00 0.00 175.02 177.11 2zr6 s GLN 131 N -3.78 4.17 0.10 2.03 -0.21 -1.26 -4.68 119.66 116.02 2zr6 s GLN 131 Ca 0.34 2.32 -0.01 0.00 0.02 0.00 0.00 55.36 58.03 2zr6 s GLN 131 Cb -0.06 -4.03 0.21 0.00 1.00 0.00 0.00 33.01 30.13 2zr6 s GLN 131 CO 0.23 -0.88 0.53 1.17 -2.12 0.00 0.00 175.29 174.22 2zr6 n LYS 132 N 7.22 -0.03 -0.34 2.91 3.00 -1.26 0.48 118.16 130.14 2zr6 n LYS 132 Ca 0.18 0.51 0.06 0.00 -0.00 0.00 0.00 58.31 59.06 2zr6 n LYS 132 Cb 0.42 -0.79 0.24 0.00 0.00 0.00 0.00 35.03 34.90 2zr6 n LYS 132 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2zr6 h PRO 133 N 0.00 0.99 0.19 1.64 0.11 -1.89 0.28 132.00 133.32 2zr6 h PRO 133 Ca 0.19 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2zr6 h PRO 133 Cb 0.34 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2zr6 h PRO 133 CO -0.33 0.66 -0.09 0.35 -0.21 0.00 0.00 178.00 178.37 2zr6 h PHE 134 N 1.02 -0.24 -0.55 0.65 3.04 -0.26 -3.13 116.94 117.47 2zr6 h PHE 134 Ca 0.44 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.48 2zr6 h PHE 134 Cb 0.34 0.08 -0.11 0.00 2.56 0.00 0.00 35.95 38.82 2zr6 h PHE 134 CO -0.00 0.07 -0.36 1.49 -2.02 0.00 0.00 178.31 177.49 2zr6 h GLU 135 N -0.99 -0.19 -0.34 1.11 4.81 -1.27 0.15 114.58 117.85 2zr6 h GLU 135 Ca -0.03 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2zr6 h GLU 135 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2zr6 h GLU 135 CO 0.04 -0.13 0.23 -0.44 -0.73 0.00 0.00 179.01 177.99 2zr6 h ASP 136 N -0.20 0.21 1.65 1.04 3.32 -0.58 -0.52 116.42 121.35 2zr6 h ASP 136 Ca 0.21 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 2zr6 h ASP 136 Cb 0.55 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2zr6 h ASP 136 CO -0.65 0.14 -0.35 0.00 -1.72 0.00 0.00 179.24 176.66 2zr6 h ALA 137 N 1.81 0.82 0.16 3.45 0.00 -0.78 -3.09 119.26 121.64 2zr6 h ALA 137 Ca 0.15 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 2zr6 h ALA 137 Cb 0.29 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.11 2zr6 h ALA 137 CO -0.03 0.23 -1.19 0.77 0.00 0.00 0.00 179.25 179.03 2zr6 h SER 138 N 0.00 0.77 -0.06 0.00 0.02 0.70 -3.04 113.55 111.94 2zr6 h SER 138 Ca -0.01 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2zr6 h SER 138 Cb 1.14 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2zr6 h SER 138 CO 0.02 1.57 0.00 0.49 -1.14 0.00 0.00 176.83 177.78 2zr6 n PHE 139 N -3.87 0.07 0.47 3.45 3.01 -0.67 -2.89 117.46 117.03 2zr6 n PHE 139 Ca -0.15 -0.04 0.05 0.00 1.01 0.00 0.00 57.45 58.33 2zr6 n PHE 139 Cb 0.97 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.40 2zr6 n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2zr6 n ALA 140 N -0.43 3.18 -2.53 4.37 0.00 -1.17 -4.93 120.51 119.01 2zr6 n ALA 140 Ca 0.13 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 2zr6 n ALA 140 Cb 0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 2zr6 n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2zr6 s LEU 141 N -2.25 4.40 0.26 0.00 1.43 -1.14 -4.96 118.68 116.42 2zr6 s LEU 141 Ca 0.05 0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 54.01 2zr6 s LEU 141 Cb 0.08 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2zr6 s LEU 141 CO 0.37 0.23 0.48 -0.13 0.23 0.00 0.00 176.35 177.54 2zr6 s ARG 142 N -1.57 3.56 -0.34 1.70 0.52 -1.26 -4.95 118.95 116.61 2zr6 s ARG 142 Ca 0.29 -0.21 -0.39 0.00 -0.52 0.00 0.00 55.73 54.91 2zr6 s ARG 142 Cb -0.15 -2.73 -0.15 0.00 0.52 0.00 0.00 34.95 32.44 2zr6 s ARG 142 CO 0.16 0.28 1.97 2.41 0.02 0.00 0.00 175.30 180.14 2zr6 n THR 143 N -0.99 0.21 0.00 0.02 -1.04 -1.26 -0.44 114.28 110.78 2zr6 n THR 143 Ca -0.04 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2zr6 n THR 143 Cb 0.54 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 2zr6 n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zr6 n GLY 144 N 5.56 2.95 3.76 3.41 0.00 -0.59 -5.03 105.19 115.26 2zr6 n GLY 144 Ca 0.36 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2zr6 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zr6 s GLU 145 N 0.00 3.68 0.39 1.61 2.02 0.41 -4.72 118.70 122.09 2zr6 s GLU 145 Ca 0.00 1.97 0.08 0.00 0.02 0.00 0.00 54.97 57.03 2zr6 s GLU 145 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2zr6 s GLU 145 CO 0.00 -0.67 0.22 1.41 0.02 0.00 0.00 175.26 176.24 2zr6 s MET 146 N -2.62 2.34 0.45 1.61 -2.45 -1.26 -2.75 119.30 114.63 2zr6 s MET 146 Ca 0.63 -1.69 0.05 0.00 -1.25 0.00 0.00 55.69 53.44 2zr6 s MET 146 Cb -0.33 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.57 2zr6 s MET 146 CO 0.41 -0.07 0.08 -1.54 1.05 0.00 0.00 175.02 174.94 2zr6 s SER 147 N -3.94 4.13 0.00 1.11 1.04 -0.84 -4.80 113.70 110.40 2zr6 s SER 147 Ca 0.42 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2zr6 s SER 147 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2zr6 s SER 147 CO 0.24 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2zr6 n GLY 148 N -1.18 1.41 3.73 7.32 0.00 -1.00 -4.58 105.19 110.89 2zr6 n GLY 148 Ca -0.08 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 2zr6 n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2zr6 s PRO 149 N 2.30 4.69 -0.12 1.61 0.02 -1.26 -4.43 135.00 137.81 2zr6 s PRO 149 Ca 0.00 1.51 0.01 0.00 0.02 0.00 0.00 61.00 62.54 2zr6 s PRO 149 Cb 0.00 -3.35 0.02 0.00 0.02 0.00 0.00 34.50 31.19 2zr6 s PRO 149 CO 0.00 0.21 -0.12 0.08 -0.33 0.00 0.00 177.00 176.84 2zr6 s VAL 150 N -0.14 1.31 -0.12 3.83 1.01 -0.89 -4.75 120.40 120.65 2zr6 s VAL 150 Ca 0.47 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2zr6 s VAL 150 Cb -0.25 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2zr6 s VAL 150 CO 0.31 0.41 0.39 -0.36 0.00 0.00 0.00 175.10 175.85 2zr6 s PHE 151 N 1.33 3.52 0.22 5.22 0.40 -1.26 0.10 117.98 127.50 2zr6 s PHE 151 Ca -0.00 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 2zr6 s PHE 151 Cb -0.14 -2.43 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 2zr6 s PHE 151 CO -0.06 0.26 0.10 0.95 0.70 0.00 0.00 175.22 177.18 2zr6 s THR 152 N 0.33 0.31 -1.26 0.64 -4.23 -0.83 -4.72 115.64 105.88 2zr6 s THR 152 Ca 0.22 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 2zr6 s THR 152 Cb -0.14 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.28 2zr6 s THR 152 CO 0.08 -0.06 1.12 0.47 -0.54 0.00 0.00 174.62 175.68 2zr6 n ASP 153 N -0.35 0.00 -0.06 3.99 8.00 -1.26 -2.34 116.55 124.53 2zr6 n ASP 153 Ca 0.00 0.32 -0.08 0.00 0.71 0.00 0.00 54.79 55.73 2zr6 n ASP 153 Cb 0.66 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.31 2zr6 n ASP 153 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2zr6 h SER 154 N 0.00 -0.00 0.00 -2.24 0.02 -1.95 0.14 113.55 109.52 2zr6 h SER 154 Ca 0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2zr6 h SER 154 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2zr6 h SER 154 CO 0.00 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2zr6 n GLY 155 N 1.68 -0.79 3.68 -3.77 0.00 -0.99 -4.16 105.19 100.84 2zr6 n GLY 155 Ca -0.06 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2zr6 n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zr6 s ILE 156 N -4.00 5.06 0.41 -0.61 1.01 -1.00 -1.97 121.20 120.10 2zr6 s ILE 156 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2zr6 s ILE 156 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2zr6 s ILE 156 CO 0.00 0.46 0.28 -1.00 0.00 0.00 0.00 174.94 174.68 2zr6 s HIS 157 N 0.32 2.67 -0.31 3.97 3.76 0.11 -1.33 115.29 124.48 2zr6 s HIS 157 Ca 0.05 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2zr6 s HIS 157 Cb -0.12 -2.07 0.13 0.00 1.11 0.00 0.00 32.58 31.63 2zr6 s HIS 157 CO -0.01 0.03 0.24 0.42 -0.85 0.00 0.00 174.74 174.57 2zr6 s ILE 158 N -2.53 -0.20 -0.04 0.60 1.09 -1.22 -2.10 121.20 116.81 2zr6 s ILE 158 Ca 0.45 -0.84 -0.18 0.00 -1.10 0.00 0.00 60.65 58.98 2zr6 s ILE 158 Cb 0.00 -0.96 -0.05 0.00 -1.06 0.00 0.00 42.46 40.39 2zr6 s ILE 158 CO 0.25 -0.66 0.48 -0.63 -0.10 0.00 0.00 174.94 174.29 2zr6 s ILE 159 N 1.94 5.03 -0.23 2.92 1.01 -1.26 -2.12 121.20 128.49 2zr6 s ILE 159 Ca 0.12 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.78 2zr6 s ILE 159 Cb -0.16 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.54 2zr6 s ILE 159 CO -0.25 0.46 -0.13 -0.22 0.00 0.00 0.00 174.94 174.80 2zr6 s LEU 160 N -0.30 2.99 -0.13 2.97 2.96 0.34 -1.98 118.68 125.52 2zr6 s LEU 160 Ca 0.26 -1.09 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 2zr6 s LEU 160 Cb -0.17 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2zr6 s LEU 160 CO 0.13 -0.12 1.10 -0.60 -1.32 0.00 0.00 176.35 175.54 2zr6 s ARG 161 N 1.19 4.34 -0.01 1.98 3.52 -1.11 -1.88 118.95 126.97 2zr6 s ARG 161 Ca -0.03 1.49 0.13 0.00 -0.13 0.00 0.00 55.73 57.18 2zr6 s ARG 161 Cb -0.17 -3.60 -0.19 0.00 -1.56 0.00 0.00 34.95 29.43 2zr6 s ARG 161 CO -0.08 -0.48 0.33 0.25 -0.81 0.00 0.00 175.30 174.51 2zr6 n THR 162 N 4.88 0.00 -1.89 4.11 -2.24 0.21 -1.54 114.28 117.80 2zr6 n THR 162 Ca 0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2zr6 n THR 162 Cb 0.47 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2zr6 n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88