#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkl s VAL 2 N 0.00 5.09 0.01 5.09 -7.23 -1.26 -4.91 120.40 117.18 1hkl s VAL 2 Ca 0.00 0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1hkl s VAL 2 Cb 0.00 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.09 1hkl s VAL 2 CO 0.00 -0.03 0.01 0.00 -0.31 0.00 0.00 175.10 174.77 1hkl n GLN 3 N 5.55 0.01 -4.05 4.82 -0.00 -1.24 -4.94 117.38 117.54 1hkl n GLN 3 Ca -0.06 -0.09 -0.32 0.00 -0.00 0.00 0.00 57.00 56.53 1hkl n GLN 3 Cb 0.50 0.08 -0.15 0.00 -0.00 0.00 0.00 30.24 30.66 1hkl n GLN 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1hkl s LEU 4 N 0.00 3.78 0.15 2.61 1.43 -1.26 -1.34 118.68 124.05 1hkl s LEU 4 Ca 0.01 -1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 51.24 1hkl s LEU 4 Cb 0.00 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 1hkl s LEU 4 CO 0.01 -0.24 1.00 -1.10 0.23 0.00 0.00 176.35 176.25 1hkl s GLN 5 N 1.06 4.69 0.11 1.70 -0.21 0.15 -4.19 119.66 122.98 1hkl s GLN 5 Ca -0.04 1.53 0.08 0.00 0.02 0.00 0.00 55.36 56.95 1hkl s GLN 5 Cb -0.20 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1hkl s GLN 5 CO -0.05 0.22 -0.20 -0.65 -2.12 0.00 0.00 175.29 172.48 1hkl s GLN 6 N -0.28 1.13 1.15 2.91 -0.21 -1.26 0.26 119.66 123.36 1hkl s GLN 6 Ca 0.47 -1.19 -0.13 0.00 0.02 0.00 0.00 55.36 54.53 1hkl s GLN 6 Cb -0.25 -1.36 0.28 0.00 1.00 0.00 0.00 33.01 32.67 1hkl s GLN 6 CO 0.32 0.31 1.04 -1.54 -2.12 0.00 0.00 175.29 173.29 1hkl s SER 7 N -2.01 1.07 0.91 5.90 1.04 -0.63 -4.97 113.70 115.01 1hkl s SER 7 Ca 0.07 1.57 -0.14 0.00 0.48 0.00 0.00 55.95 57.93 1hkl s SER 7 Cb -0.09 -2.32 0.14 0.00 0.10 0.00 0.00 66.02 63.85 1hkl s SER 7 CO 0.04 -4.15 1.19 -0.83 0.98 0.00 0.00 173.24 170.47 1hkl s GLY 8 N -2.53 1.63 0.32 7.32 0.00 -1.26 -4.57 107.32 108.23 1hkl s GLY 8 Ca 0.68 -0.75 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 1hkl s GLY 8 CO 0.64 -0.14 1.51 0.00 0.00 0.00 0.00 173.10 175.11 1hkl s ALA 9 N -3.49 3.65 -0.06 3.20 0.00 -1.26 -4.63 121.76 119.16 1hkl s ALA 9 Ca 0.66 1.51 0.04 0.00 0.00 0.00 0.00 51.96 54.17 1hkl s ALA 9 Cb -0.11 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1hkl s ALA 9 CO 0.52 -0.94 -0.18 -1.21 0.00 0.00 0.00 175.76 173.94 1hkl s GLU 10 N -1.14 2.63 -0.32 0.00 0.41 0.18 -4.99 118.70 115.48 1hkl s GLU 10 Ca 0.58 -0.78 0.02 0.00 -0.41 0.00 0.00 54.97 54.38 1hkl s GLU 10 Cb -0.46 -2.32 0.09 0.00 -1.78 0.00 0.00 34.13 29.66 1hkl s GLU 10 CO 0.53 0.47 0.05 -1.17 -0.49 0.00 0.00 175.26 174.65 1hkl s LEU 11 N -0.36 3.69 0.30 1.80 2.96 -1.26 -0.95 118.68 124.86 1hkl s LEU 11 Ca 0.03 -1.86 0.11 0.00 -0.22 0.00 0.00 54.13 52.19 1hkl s LEU 11 Cb -0.12 -1.34 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 1hkl s LEU 11 CO 0.02 -0.37 -0.12 0.68 -1.32 0.00 0.00 176.35 175.24 1hkl s VAL 12 N 1.19 2.60 0.35 1.68 -7.23 -0.58 -5.01 120.40 113.41 1hkl s VAL 12 Ca 0.08 -2.24 -0.12 0.00 -1.81 0.00 0.00 61.98 57.89 1hkl s VAL 12 Cb -0.18 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 1hkl s VAL 12 CO -0.13 -0.33 0.73 -0.54 -0.31 0.00 0.00 175.10 174.52 1hkl s LYS 13 N -3.58 3.87 0.06 4.82 -0.14 -1.26 -1.75 119.74 121.76 1hkl s LYS 13 Ca 0.31 0.52 -0.31 0.00 -1.36 0.00 0.00 55.97 55.14 1hkl s LYS 13 Cb -0.03 -2.44 -0.09 0.00 -1.68 0.00 0.00 37.83 33.60 1hkl s LYS 13 CO 0.17 0.08 1.76 -2.14 -0.76 0.00 0.00 175.35 174.46 1hkl s PRO 14 N -3.41 4.17 0.00 -1.68 0.02 -1.25 -3.04 135.00 129.81 1hkl s PRO 14 Ca 0.52 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1hkl s PRO 14 Cb -0.10 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.67 1hkl s PRO 14 CO 0.25 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1hkl n GLY 15 N 4.18 3.50 1.06 0.52 0.00 0.17 -4.93 105.19 109.69 1hkl n GLY 15 Ca 0.17 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1hkl n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkl n ALA 16 N 0.00 -1.10 -2.43 4.61 0.00 -1.17 -3.52 120.51 116.91 1hkl n ALA 16 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1hkl n ALA 16 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 1hkl n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hkl s SER 17 N -2.41 2.78 0.16 0.00 1.04 -1.26 -2.08 113.70 111.94 1hkl s SER 17 Ca 0.22 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.50 1hkl s SER 17 Cb -0.02 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1hkl s SER 17 CO 0.17 -0.32 -0.04 0.68 0.98 0.00 0.00 173.24 174.70 1hkl s VAL 18 N -2.99 0.88 -0.14 5.02 -7.23 0.35 -4.98 120.40 111.30 1hkl s VAL 18 Ca 0.29 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1hkl s VAL 18 Cb 0.03 -1.98 0.06 0.00 0.56 0.00 0.00 36.38 35.05 1hkl s VAL 18 CO 0.12 -0.62 0.12 -0.75 -0.31 0.00 0.00 175.10 173.65 1hkl s LYS 19 N -3.84 0.05 0.01 4.82 2.20 -1.26 -1.59 119.74 120.13 1hkl s LYS 19 Ca 0.20 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 1hkl s LYS 19 Cb 0.05 -1.24 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1hkl s LYS 19 CO 0.02 -0.55 0.06 -0.51 -0.36 0.00 0.00 175.35 174.01 1hkl s LEU 20 N 2.20 3.80 0.26 5.43 1.43 0.04 -4.94 118.68 126.90 1hkl s LEU 20 Ca 0.04 0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.32 1hkl s LEU 20 Cb -0.15 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1hkl s LEU 20 CO -0.08 0.26 -0.16 -0.94 0.23 0.00 0.00 176.35 175.66 1hkl s SER 21 N -1.80 3.16 -0.19 2.29 1.04 -1.26 -0.42 113.70 116.51 1hkl s SER 21 Ca 0.23 -1.06 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 1hkl s SER 21 Cb -0.12 -0.23 0.09 0.00 0.10 0.00 0.00 66.02 65.86 1hkl s SER 21 CO 0.14 -0.09 0.32 0.00 0.98 0.00 0.00 173.24 174.59 1hkl s THR 23 N 2.48 4.48 -0.06 0.00 2.01 0.14 -2.23 115.64 122.46 1hkl s THR 23 Ca 0.05 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1hkl s THR 23 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1hkl s THR 23 CO -0.12 0.56 0.21 0.00 -0.69 0.00 0.00 174.62 174.58 1hkl s ALA 24 N -0.95 3.86 -0.27 7.40 0.00 -0.33 0.32 121.76 131.80 1hkl s ALA 24 Ca 0.15 -0.60 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 1hkl s ALA 24 Cb -0.11 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 1hkl s ALA 24 CO 0.04 0.63 0.06 -1.12 0.00 0.00 0.00 175.76 175.37 1hkl s SER 25 N -1.34 4.99 0.00 0.00 0.01 -0.45 -4.80 113.70 112.10 1hkl s SER 25 Ca 0.21 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1hkl s SER 25 Cb -0.13 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.23 1hkl s SER 25 CO 0.10 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1hkl n GLY 26 N 4.87 1.63 3.75 3.44 0.00 -1.26 -3.67 105.19 113.95 1hkl n GLY 26 Ca -0.16 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1hkl n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hkl s PHE 27 N 0.00 3.02 0.47 1.61 -0.12 -1.26 -5.01 117.98 116.69 1hkl s PHE 27 Ca 0.00 1.13 0.07 0.00 -0.05 0.00 0.00 56.93 58.08 1hkl s PHE 27 Cb 0.00 -3.78 0.03 0.00 -0.63 0.00 0.00 43.02 38.63 1hkl s PHE 27 CO 0.00 -2.45 0.65 0.54 -0.05 0.00 0.00 175.22 173.91 1hkl s ASN 28 N 0.16 5.49 0.53 1.98 2.20 -1.26 -4.68 114.94 119.35 1hkl s ASN 28 Ca 0.57 -0.39 0.31 0.00 -0.94 0.00 0.00 52.86 52.40 1hkl s ASN 28 Cb -0.41 -0.57 1.42 0.00 -2.00 0.00 0.00 41.25 39.69 1hkl s ASN 28 CO 0.46 -0.93 2.02 0.16 -2.94 0.00 0.00 177.10 175.87 1hkl h ILE 29 N 0.45 0.31 0.11 0.54 3.07 -1.86 -0.63 117.51 119.49 1hkl h ILE 29 Ca -0.39 -0.60 -0.01 0.00 1.55 0.00 0.00 64.86 65.41 1hkl h ILE 29 Cb 1.28 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 1hkl h ILE 29 CO 0.46 0.09 -0.05 0.11 -1.05 0.00 0.00 178.15 177.71 1hkl h LYS 30 N 0.00 -0.14 0.00 0.16 1.79 -1.95 -2.97 116.57 113.46 1hkl h LYS 30 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1hkl h LYS 30 Cb 0.45 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1hkl h LYS 30 CO 0.01 -0.02 -0.02 0.38 -1.08 0.00 0.00 179.45 178.72 1hkl h ASP 31 N -0.23 0.00 -3.04 0.86 3.04 -1.95 -3.42 116.42 111.68 1hkl h ASP 31 Ca -0.01 0.00 -0.74 0.00 -3.24 0.00 0.00 57.03 53.03 1hkl h ASP 31 Cb 0.19 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 38.26 1hkl h ASP 31 CO 0.02 0.33 0.57 0.42 -2.04 0.00 0.00 179.24 178.55 1hkl s THR 32 N -1.38 5.23 0.62 1.15 -4.23 -0.26 -4.82 115.64 111.95 1hkl s THR 32 Ca -0.01 -2.23 -0.15 0.00 -1.18 0.00 0.00 61.69 58.13 1hkl s THR 32 Cb 0.00 -4.66 -0.02 0.00 1.34 0.00 0.00 72.50 69.16 1hkl s THR 32 CO 0.01 -1.31 1.06 -0.72 -0.54 0.00 0.00 174.62 173.13 1hkl s TYR 33 N 1.20 2.96 0.24 3.99 -0.85 -1.12 -4.02 117.35 119.74 1hkl s TYR 33 Ca 0.28 1.50 0.02 0.00 -0.52 0.00 0.00 57.07 58.35 1hkl s TYR 33 Cb -0.07 -3.01 -0.04 0.00 0.38 0.00 0.00 41.96 39.23 1hkl s TYR 33 CO -0.08 -1.21 0.41 -1.64 -1.52 0.00 0.00 175.55 171.51 1hkl s MET 34 N -4.23 3.48 0.08 -3.49 -1.94 -1.24 0.62 119.30 112.57 1hkl s MET 34 Ca 0.63 -0.50 0.08 0.00 -1.71 0.00 0.00 55.69 54.18 1hkl s MET 34 Cb -0.16 -2.83 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1hkl s MET 34 CO 0.40 0.36 -0.20 -1.01 -0.01 0.00 0.00 175.02 174.57 1hkl s HIS 35 N -2.00 1.73 -0.09 -0.03 3.76 0.20 -2.06 115.29 116.79 1hkl s HIS 35 Ca 0.37 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 1hkl s HIS 35 Cb -0.10 -0.98 0.01 0.00 1.11 0.00 0.00 32.58 32.62 1hkl s HIS 35 CO 0.31 0.15 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.61 1hkl s TRP 36 N -1.04 1.95 0.11 1.40 0.52 -0.73 -0.81 118.94 120.34 1hkl s TRP 36 Ca 0.06 -0.84 0.08 0.00 0.02 0.00 0.00 56.10 55.43 1hkl s TRP 36 Cb -0.09 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1hkl s TRP 36 CO 0.03 -0.40 -0.21 0.08 0.02 0.00 0.00 176.95 176.47 1hkl s VAL 37 N 0.75 1.75 0.27 4.03 1.01 0.47 -1.62 120.40 127.06 1hkl s VAL 37 Ca -0.12 -1.57 0.10 0.00 0.00 0.00 0.00 61.98 60.40 1hkl s VAL 37 Cb -0.16 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1hkl s VAL 37 CO 0.02 -0.06 -0.06 -0.75 0.00 0.00 0.00 175.10 174.25 1hkl s LYS 38 N -1.94 2.11 -0.29 2.72 2.20 0.88 -0.34 119.74 125.08 1hkl s LYS 38 Ca 0.07 -1.52 0.06 0.00 -0.36 0.00 0.00 55.97 54.22 1hkl s LYS 38 Cb -0.10 -2.05 0.19 0.00 -1.51 0.00 0.00 37.83 34.37 1hkl s LYS 38 CO 0.04 0.36 0.57 -1.14 -0.36 0.00 0.00 175.35 174.82 1hkl s GLN 39 N -3.62 0.55 0.54 4.03 0.74 0.10 -0.39 119.66 121.62 1hkl s GLN 39 Ca 0.31 0.47 -0.20 0.00 0.05 0.00 0.00 55.36 55.99 1hkl s GLN 39 Cb -0.06 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 1hkl s GLN 39 CO 0.18 -1.05 1.18 1.03 -0.55 0.00 0.00 175.29 176.08 1hkl s ARG 40 N 2.76 3.31 -0.50 1.67 0.52 -1.26 -1.15 118.95 124.29 1hkl s ARG 40 Ca 0.10 1.75 -0.44 0.00 -0.52 0.00 0.00 55.73 56.62 1hkl s ARG 40 Cb -0.10 -2.08 -0.19 0.00 0.52 0.00 0.00 34.95 33.10 1hkl s ARG 40 CO -0.26 -0.92 2.02 -0.35 0.02 0.00 0.00 175.30 175.81 1hkl n PRO 41 N -1.20 0.03 -2.04 3.54 -0.04 -1.26 -0.44 135.00 133.59 1hkl n PRO 41 Ca 0.11 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1hkl n PRO 41 Cb 0.50 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1hkl n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1hkl n LYS 42 N 6.71 -1.01 -3.16 0.54 4.76 -1.26 -5.02 118.16 119.72 1hkl n LYS 42 Ca 0.49 0.72 -0.15 0.00 -2.87 0.00 0.00 58.31 56.50 1hkl n LYS 42 Cb -0.04 -4.90 -0.03 0.00 -1.84 0.00 0.00 35.03 28.22 1hkl n LYS 42 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1hkl n GLN 43 N -2.35 1.38 -2.24 1.97 1.13 0.41 -5.15 117.38 112.53 1hkl n GLN 43 Ca -0.15 -1.72 -0.27 0.00 -1.94 0.00 0.00 57.00 52.92 1hkl n GLN 43 Cb 0.57 0.42 0.14 0.00 0.11 0.00 0.00 30.24 31.48 1hkl n GLN 43 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1hkl s GLY 44 N -2.38 1.76 -0.11 1.08 0.00 -1.26 -4.75 107.32 101.65 1hkl s GLY 44 Ca 0.02 -1.40 -0.25 0.00 0.00 0.00 0.00 44.72 43.09 1hkl s GLY 44 CO 0.01 -0.76 0.80 1.08 0.00 0.00 0.00 173.10 174.24 1hkl s LEU 45 N -5.50 4.25 -0.18 0.66 1.43 -1.26 -4.31 118.68 113.76 1hkl s LEU 45 Ca 0.69 1.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.01 1hkl s LEU 45 Cb -0.05 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1hkl s LEU 45 CO 0.48 -0.27 -0.09 -1.61 0.23 0.00 0.00 176.35 175.09 1hkl s GLU 46 N 1.49 3.34 0.03 1.70 2.02 0.47 -4.96 118.70 122.80 1hkl s GLU 46 Ca 0.40 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1hkl s GLU 46 Cb -0.18 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1hkl s GLU 46 CO 0.17 -0.06 1.10 -0.46 0.02 0.00 0.00 175.26 176.03 1hkl s TRP 47 N 1.07 3.53 -0.19 1.61 -0.00 -1.26 -0.08 118.94 123.61 1hkl s TRP 47 Ca 0.00 1.47 -0.15 0.00 -0.00 0.00 0.00 56.10 57.42 1hkl s TRP 47 Cb -0.15 -3.29 -0.08 0.00 -0.00 0.00 0.00 33.47 29.95 1hkl s TRP 47 CO -0.02 -0.73 -0.20 -0.89 -0.00 0.00 0.00 176.95 175.11 1hkl n ILE 48 N 3.93 1.49 -3.53 5.86 5.41 -0.64 -4.67 119.36 127.21 1hkl n ILE 48 Ca 0.08 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1hkl n ILE 48 Cb 0.48 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.19 1hkl n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hkl n GLY 49 N 1.46 0.81 3.68 7.39 0.00 -1.17 -1.06 105.19 116.30 1hkl n GLY 49 Ca -0.23 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 1hkl n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hkl s ARG 50 N -1.15 1.30 -0.00 1.61 1.04 -0.04 -1.77 118.95 119.94 1hkl s ARG 50 Ca 0.00 -0.65 0.00 0.00 -1.04 0.00 0.00 55.73 54.04 1hkl s ARG 50 Cb 0.00 0.49 0.00 0.00 -2.04 0.00 0.00 34.95 33.40 1hkl s ARG 50 CO 0.00 -0.59 -0.01 -1.50 -0.04 0.00 0.00 175.30 173.17 1hkl s ILE 51 N -3.50 0.06 -0.67 4.99 2.07 -0.88 -0.41 121.20 122.86 1hkl s ILE 51 Ca 0.09 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1hkl s ILE 51 Cb -0.02 -0.08 0.16 0.00 0.13 0.00 0.00 42.46 42.65 1hkl s ILE 51 CO -0.01 0.03 0.46 -0.62 -1.91 0.00 0.00 174.94 172.89 1hkl s ASP 52 N 0.11 4.74 0.49 4.50 2.15 -0.01 -3.65 116.67 124.99 1hkl s ASP 52 Ca -0.01 -3.72 0.26 0.00 0.43 0.00 0.00 52.55 49.51 1hkl s ASP 52 Cb -0.02 -1.63 1.32 0.00 -0.30 0.00 0.00 42.92 42.29 1hkl s ASP 52 CO -0.00 -0.11 1.87 -0.65 -0.17 0.00 0.00 175.17 176.11 1hkl h PRO 52 N 5.57 0.16 -0.20 4.34 0.11 -1.85 0.25 132.00 140.38 1hkl h PRO 52 Ca 0.11 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1hkl h PRO 52 Cb 0.78 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1hkl h PRO 52 CO 0.71 0.11 0.06 0.00 -0.21 0.00 0.00 178.00 178.67 1hkl h ALA 53 N 1.58 0.21 -0.12 -0.75 0.00 -1.86 -1.96 119.26 116.36 1hkl h ALA 53 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1hkl h ALA 53 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1hkl h ALA 53 CO -0.09 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 178.88 1hkl n ASN 54 N -5.06 2.19 -3.87 0.00 3.02 -0.46 -4.92 115.26 106.16 1hkl n ASN 54 Ca -0.03 -1.75 -0.29 0.00 -0.03 0.00 0.00 54.58 52.49 1hkl n ASN 54 Cb 0.08 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1hkl n ASN 54 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1hkl n VAL 55 N 0.69 -2.30 -4.08 2.41 0.31 0.75 -4.96 118.33 111.16 1hkl n VAL 55 Ca 0.17 -0.04 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 1hkl n VAL 55 Cb 0.44 -3.02 -0.04 0.00 -0.91 0.00 0.00 33.84 30.31 1hkl n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hkl s ASP 56 N -3.39 5.64 -0.21 4.52 -1.08 -0.46 -4.97 116.67 116.73 1hkl s ASP 56 Ca 0.61 -0.15 -0.10 0.00 -0.52 0.00 0.00 52.55 52.39 1hkl s ASP 56 Cb -0.30 -1.49 0.07 0.00 -1.46 0.00 0.00 42.92 39.74 1hkl s ASP 56 CO 0.82 0.01 0.49 -0.89 0.52 0.00 0.00 175.17 176.12 1hkl s THR 57 N -1.94 -0.20 0.18 1.71 2.01 -1.26 -0.83 115.64 115.32 1hkl s THR 57 Ca 0.32 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.49 1hkl s THR 57 Cb -0.09 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1hkl s THR 57 CO 0.25 0.03 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.57 1hkl s LYS 58 N 1.78 2.04 -0.04 4.92 3.01 0.45 -4.96 119.74 126.93 1hkl s LYS 58 Ca -0.08 -1.29 -0.17 0.00 -1.01 0.00 0.00 55.97 53.42 1hkl s LYS 58 Cb -0.08 -2.14 0.03 0.00 -1.01 0.00 0.00 37.83 34.63 1hkl s LYS 58 CO -0.15 0.43 0.37 0.71 0.51 0.00 0.00 175.35 177.22 1hkl s TYR 59 N -1.73 -0.27 0.32 3.18 2.02 -1.26 -0.86 117.35 118.74 1hkl s TYR 59 Ca 0.25 0.48 -0.27 0.00 -0.37 0.00 0.00 57.07 57.16 1hkl s TYR 59 Cb -0.09 0.14 -0.09 0.00 -0.40 0.00 0.00 41.96 41.52 1hkl s TYR 59 CO 0.15 -0.39 0.99 0.34 -1.57 0.00 0.00 175.55 175.07 1hkl s ASP 60 N -1.09 7.27 0.53 2.29 2.15 -0.23 -4.90 116.67 122.70 1hkl s ASP 60 Ca -0.11 1.96 0.37 0.00 0.43 0.00 0.00 52.55 55.20 1hkl s ASP 60 Cb -0.04 -2.59 1.54 0.00 -0.30 0.00 0.00 42.92 41.52 1hkl s ASP 60 CO 0.04 -0.12 1.76 -0.65 -0.17 0.00 0.00 175.17 176.03 1hkl h PRO 61 N 3.31 0.04 0.00 4.34 0.11 -1.97 0.13 132.00 137.97 1hkl h PRO 61 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hkl h PRO 61 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hkl h PRO 61 CO 0.65 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 1hkl n LYS 62 N -4.20 0.39 0.00 1.05 5.02 -1.26 -3.48 118.16 115.67 1hkl n LYS 62 Ca 0.29 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1hkl n LYS 62 Cb 1.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1hkl n LYS 62 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1hkl n PHE 63 N -1.23 0.00 -1.63 2.13 3.72 0.44 -4.95 117.46 115.94 1hkl n PHE 63 Ca 0.12 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.06 1hkl n PHE 63 Cb 0.16 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 1hkl n PHE 63 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hkl n GLN 64 N -0.61 1.66 0.00 -1.08 1.13 -1.16 -0.50 117.38 116.82 1hkl n GLN 64 Ca 0.00 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 1hkl n GLN 64 Cb 0.01 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.21 1hkl n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1hkl n ASP 65 N 1.90 0.00 0.17 1.08 8.00 -1.26 -4.53 116.55 121.90 1hkl n ASP 65 Ca 0.12 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.65 1hkl n ASP 65 Cb 0.29 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.67 1hkl n ASP 65 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1hkl h LYS 66 N 0.00 0.00 -6.61 -1.24 6.56 -1.77 -3.43 116.57 110.07 1hkl h LYS 66 Ca 0.00 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.91 1hkl h LYS 66 Cb 0.00 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 31.39 1hkl h LYS 66 CO 0.00 0.46 -0.88 0.00 -2.06 0.00 0.00 179.45 176.97 1hkl s ALA 67 N -3.59 2.16 -0.10 3.86 0.00 0.35 -2.28 121.76 122.15 1hkl s ALA 67 Ca -0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1hkl s ALA 67 Cb 0.11 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1hkl s ALA 67 CO 0.71 0.51 0.08 0.99 0.00 0.00 0.00 175.76 178.06 1hkl s THR 68 N -0.74 -0.12 -0.19 0.00 2.01 0.77 -4.75 115.64 112.62 1hkl s THR 68 Ca 0.11 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.21 1hkl s THR 68 Cb -0.10 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 1hkl s THR 68 CO 0.01 -0.02 0.04 -0.63 -0.69 0.00 0.00 174.62 173.33 1hkl s ILE 69 N 2.17 4.39 -0.00 1.82 1.01 -1.26 -0.57 121.20 128.77 1hkl s ILE 69 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1hkl s ILE 69 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1hkl s ILE 69 CO -0.06 0.44 -0.10 0.28 0.00 0.00 0.00 174.94 175.50 1hkl s THR 70 N 0.72 0.80 -0.11 2.92 -1.32 -0.90 -4.94 115.64 112.81 1hkl s THR 70 Ca 0.02 -0.47 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 1hkl s THR 70 Cb -0.14 -0.67 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1hkl s THR 70 CO 0.02 0.19 -0.19 0.00 -2.21 0.00 0.00 174.62 172.44 1hkl s ALA 71 N -0.29 1.90 -0.65 11.08 0.00 -1.26 0.28 121.76 132.81 1hkl s ALA 71 Ca 0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 1hkl s ALA 71 Cb -0.04 -0.84 0.08 0.00 0.00 0.00 0.00 23.12 22.32 1hkl s ALA 71 CO -0.00 0.04 0.92 0.34 0.00 0.00 0.00 175.76 177.06 1hkl s ASP 72 N 0.75 6.18 0.20 0.00 -1.08 0.67 -4.94 116.67 118.46 1hkl s ASP 72 Ca -0.10 -1.10 -0.13 0.00 -0.52 0.00 0.00 52.55 50.70 1hkl s ASP 72 Cb -0.16 -2.40 0.24 0.00 -1.46 0.00 0.00 42.92 39.14 1hkl s ASP 72 CO 0.01 -1.37 1.65 0.74 0.52 0.00 0.00 175.17 176.72 1hkl h THR 73 N 5.96 0.47 -0.44 1.71 2.02 -1.98 -1.48 112.91 119.18 1hkl h THR 73 Ca -0.28 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1hkl h THR 73 Cb 1.07 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1hkl h THR 73 CO 1.17 0.01 0.24 0.77 0.37 0.00 0.00 175.52 178.07 1hkl h SER 74 N 0.06 0.53 0.30 4.18 4.64 -1.96 -2.69 113.55 118.61 1hkl h SER 74 Ca 0.29 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1hkl h SER 74 Cb 0.46 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1hkl h SER 74 CO -0.55 0.43 -0.50 -1.20 -0.87 0.00 0.00 176.83 174.14 1hkl n SER 75 N -4.42 0.86 -3.63 4.97 7.64 -0.87 -4.94 113.62 113.21 1hkl n SER 75 Ca 0.03 -0.66 -0.23 0.00 1.01 0.00 0.00 58.87 59.03 1hkl n SER 75 Cb 0.10 0.35 0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1hkl n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1hkl n LYS 76 N -1.13 -6.61 -4.28 1.43 5.02 -0.61 -4.59 118.16 107.40 1hkl n LYS 76 Ca 0.08 0.75 -0.23 0.00 -2.02 0.00 0.00 58.31 56.89 1hkl n LYS 76 Cb 0.35 -5.68 -0.17 0.00 -0.02 0.00 0.00 35.03 29.51 1hkl n LYS 76 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1hkl s THR 77 N -3.39 0.86 0.35 -0.18 2.01 -1.12 -1.19 115.64 112.99 1hkl s THR 77 Ca 0.34 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1hkl s THR 77 Cb -0.16 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1hkl s THR 77 CO 0.76 0.31 0.43 0.42 -0.69 0.00 0.00 174.62 175.85 1hkl s THR 78 N 1.00 3.74 -0.04 -0.82 -4.23 -0.94 -0.23 115.64 114.12 1hkl s THR 78 Ca -0.09 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1hkl s THR 78 Cb -0.15 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.44 1hkl s THR 78 CO -0.00 -0.14 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.63 1hkl s TYR 79 N -2.24 0.39 -0.38 3.99 2.02 0.14 -2.66 117.35 118.61 1hkl s TYR 79 Ca 0.45 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 1hkl s TYR 79 Cb -0.08 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 41.00 1hkl s TYR 79 CO 0.30 -0.16 0.28 -1.17 -1.57 0.00 0.00 175.55 173.23 1hkl s LEU 80 N 1.15 4.84 -0.21 -1.29 2.96 0.44 -2.11 118.68 124.45 1hkl s LEU 80 Ca -0.08 -0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 53.08 1hkl s LEU 80 Cb -0.13 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1hkl s LEU 80 CO -0.02 -0.36 0.08 -1.58 -1.32 0.00 0.00 176.35 173.16 1hkl s GLN 81 N 1.72 3.88 -0.17 1.98 0.74 0.26 -0.78 119.66 127.30 1hkl s GLN 81 Ca 0.06 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.10 1hkl s GLN 81 Cb -0.18 -3.31 0.03 0.00 1.10 0.00 0.00 33.01 30.65 1hkl s GLN 81 CO 0.10 0.08 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.30 1hkl s LEU 82 N 0.91 1.87 0.56 3.68 1.43 -0.62 -0.16 118.68 126.35 1hkl s LEU 82 Ca 0.04 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1hkl s LEU 82 Cb -0.14 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 44.99 1hkl s LEU 82 CO 0.03 -0.10 0.66 -0.94 0.23 0.00 0.00 176.35 176.22 1hkl s SER 83 N 1.48 4.96 -0.88 2.29 1.04 -0.97 -0.50 113.70 121.13 1hkl s SER 83 Ca 0.02 -0.96 -0.20 0.00 0.48 0.00 0.00 55.95 55.29 1hkl s SER 83 Cb -0.14 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1hkl s SER 83 CO -0.09 -1.24 0.52 -1.20 0.98 0.00 0.00 173.24 172.21 1hkl n SER 84 N -2.07 -3.41 -4.76 7.02 7.64 -1.13 -4.85 113.62 112.05 1hkl n SER 84 Ca 0.10 -0.97 -0.39 0.00 1.01 0.00 0.00 58.87 58.62 1hkl n SER 84 Cb 0.62 -1.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1hkl n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1hkl s LEU 85 N -6.22 4.51 0.00 -3.43 1.43 -0.88 -4.78 118.68 109.31 1hkl s LEU 85 Ca 0.28 2.06 0.07 0.00 -1.03 0.00 0.00 54.13 55.50 1hkl s LEU 85 Cb -0.16 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.29 1hkl s LEU 85 CO 0.76 -0.06 0.24 0.35 0.23 0.00 0.00 176.35 177.87 1hkl n THR 86 N 1.06 0.00 -0.05 5.49 -2.24 -1.26 0.41 114.28 117.69 1hkl n THR 86 Ca -0.00 -2.42 0.14 0.00 -2.27 0.00 0.00 64.05 59.50 1hkl n THR 86 Cb 0.47 1.10 0.56 0.00 -2.10 0.00 0.00 70.33 70.36 1hkl n THR 86 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hkl h SER 87 N 1.91 0.25 0.00 3.42 4.64 -1.98 0.04 113.55 121.83 1hkl h SER 87 Ca -0.26 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1hkl h SER 87 Cb 1.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1hkl h SER 87 CO 0.40 0.15 0.01 1.21 -0.87 0.00 0.00 176.83 177.72 1hkl n GLU 88 N -4.45 0.12 0.04 4.77 4.07 -1.26 -1.64 120.64 122.29 1hkl n GLU 88 Ca 0.09 0.61 0.11 0.00 -0.06 0.00 0.00 57.16 57.92 1hkl n GLU 88 Cb 0.43 -1.89 0.01 0.00 -0.06 0.00 0.00 31.44 29.93 1hkl n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1hkl n ASP 89 N -2.13 0.60 -4.64 4.31 8.00 -0.00 -4.86 116.55 117.84 1hkl n ASP 89 Ca -0.01 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 1hkl n ASP 89 Cb 0.04 0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 1hkl n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hkl s THR 90 N -3.25 3.05 0.02 -3.53 2.01 -0.65 -4.83 115.64 108.46 1hkl s THR 90 Ca 0.02 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 1hkl s THR 90 Cb 0.13 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.64 1hkl s THR 90 CO 0.80 -0.02 0.60 0.00 -0.69 0.00 0.00 174.62 175.31 1hkl n ALA 91 N 9.07 -1.64 -2.68 7.40 0.00 -0.52 -4.54 120.51 127.59 1hkl n ALA 91 Ca 0.23 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 1hkl n ALA 91 Cb 0.43 0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 1hkl n ALA 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hkl s VAL 92 N -2.16 3.48 -0.10 0.00 1.01 -0.30 -0.54 120.40 121.78 1hkl s VAL 92 Ca 0.14 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1hkl s VAL 92 Cb -0.01 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1hkl s VAL 92 CO 0.01 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.15 1hkl s TYR 93 N -0.47 2.41 0.10 5.22 1.51 -0.35 0.02 117.35 125.79 1hkl s TYR 93 Ca 0.07 -1.02 0.08 0.00 -1.01 0.00 0.00 57.07 55.19 1hkl s TYR 93 Cb -0.12 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1hkl s TYR 93 CO 0.02 -0.43 -0.17 0.71 -1.11 0.00 0.00 175.55 174.58 1hkl s TYR 94 N 0.47 2.58 0.01 2.71 1.51 0.54 -1.27 117.35 123.90 1hkl s TYR 94 Ca -0.16 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1hkl s TYR 94 Cb -0.17 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1hkl s TYR 94 CO 0.06 0.37 -0.10 0.00 -1.11 0.00 0.00 175.55 174.78 1hkl s ALA 96 N -0.98 0.55 0.59 0.00 0.00 0.01 -1.41 121.76 120.51 1hkl s ALA 96 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1hkl s ALA 96 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1hkl s ALA 96 CO 0.07 0.00 0.00 -1.13 0.00 0.00 0.00 175.76 174.70 1hkl n SER 97 N 1.70 0.00 -4.63 0.00 3.41 -0.67 0.58 113.62 114.02 1hkl n SER 97 Ca -0.21 -0.88 -0.46 0.00 -0.26 0.00 0.00 58.87 57.05 1hkl n SER 97 Cb 0.55 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1hkl n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hkl n TYR 98 N -1.40 1.80 -1.00 7.33 9.36 0.20 -0.63 117.16 132.82 1hkl n TYR 98 Ca 0.00 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1hkl n TYR 98 Cb 0.00 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.33 1hkl n TYR 98 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1hkl n TYR 99 N 1.72 0.00 -2.31 2.98 4.02 -1.26 -2.70 117.16 119.61 1hkl n TYR 99 Ca 0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.82 1hkl n TYR 99 Cb 0.29 -1.96 -0.02 0.00 -0.02 0.00 0.00 39.34 37.62 1hkl n TYR 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hkl n GLY 100 N 0.91 -0.22 0.14 2.72 0.00 0.20 -4.88 105.19 104.06 1hkl n GLY 100 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1hkl n GLY 100 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hkl h ILE 101 N 0.00 1.15 -4.48 -0.61 2.04 -1.70 -3.43 117.51 110.48 1hkl h ILE 101 Ca -0.47 -0.43 -0.70 0.00 1.00 0.00 0.00 64.86 64.26 1hkl h ILE 101 Cb 1.35 0.93 -0.28 0.00 -0.74 0.00 0.00 36.82 38.07 1hkl h ILE 101 CO 0.57 0.15 -0.87 -0.31 0.00 0.00 0.00 178.15 177.69 1hkl s TYR 102 N -5.70 2.37 0.02 1.37 2.02 -1.26 -5.01 117.35 111.16 1hkl s TYR 102 Ca -0.13 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1hkl s TYR 102 Cb 0.09 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1hkl s TYR 102 CO 0.72 0.02 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.95 1hkl s TRP 103 N -0.67 1.68 0.59 2.71 0.52 -1.26 -1.67 118.94 120.84 1hkl s TRP 103 Ca 0.11 -0.35 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 1hkl s TRP 103 Cb -0.10 -1.03 0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1hkl s TRP 103 CO -0.00 0.04 0.87 0.20 0.02 0.00 0.00 176.95 178.08 1hkl s GLY 104 N -0.89 1.65 0.37 0.98 0.00 -0.50 -4.66 107.32 104.27 1hkl s GLY 104 Ca 0.07 -0.91 0.26 0.00 0.00 0.00 0.00 44.72 44.13 1hkl s GLY 104 CO 0.01 -0.61 1.78 0.06 0.00 0.00 0.00 173.10 174.33 1hkl h GLN 105 N -0.15 0.00 0.00 2.90 -0.00 -1.91 -3.42 115.11 112.52 1hkl h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1hkl h GLN 105 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1hkl h GLN 105 CO 0.59 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.83 1hkl n GLY 106 N -1.00 -2.53 3.55 0.06 0.00 -1.26 -5.01 105.19 99.00 1hkl n GLY 106 Ca -0.01 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1hkl n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hkl s THR 107 N -1.80 3.73 -0.09 2.61 -1.32 -0.40 -4.89 115.64 113.48 1hkl s THR 107 Ca 0.00 -0.45 -0.18 0.00 -1.21 0.00 0.00 61.69 59.85 1hkl s THR 107 Cb 0.00 -2.56 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 1hkl s THR 107 CO 0.00 0.57 0.49 -0.89 -2.21 0.00 0.00 174.62 172.57 1hkl s THR 108 N -0.42 5.13 -0.07 5.08 2.01 -1.26 -1.20 115.64 124.90 1hkl s THR 108 Ca 0.06 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1hkl s THR 108 Cb -0.12 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1hkl s THR 108 CO 0.02 0.36 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.90 1hkl s LEU 109 N 0.33 2.38 -0.13 4.42 0.20 0.29 -0.65 118.68 125.54 1hkl s LEU 109 Ca 0.27 -0.39 -0.01 0.00 0.69 0.00 0.00 54.13 54.69 1hkl s LEU 109 Cb -0.16 -1.47 0.03 0.00 -0.43 0.00 0.00 46.19 44.16 1hkl s LEU 109 CO 0.12 0.25 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.48 1hkl s THR 110 N -0.20 0.98 -0.30 3.68 2.01 -0.12 -1.44 115.64 120.25 1hkl s THR 110 Ca -0.01 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1hkl s THR 110 Cb -0.13 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 1hkl s THR 110 CO 0.03 0.27 0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 1hkl s VAL 111 N 1.71 4.37 0.07 3.82 1.01 -1.26 -1.52 120.40 128.60 1hkl s VAL 111 Ca 0.03 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1hkl s VAL 111 Cb -0.13 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1hkl s VAL 111 CO -0.08 0.10 0.48 -0.55 0.00 0.00 0.00 175.10 175.05 1hkl s SER 112 N 1.58 -0.37 0.21 3.32 0.15 -0.72 -4.50 113.70 113.36 1hkl s SER 112 Ca 0.04 0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.94 1hkl s SER 112 Cb -0.17 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1hkl s SER 112 CO 0.05 -0.75 1.07 0.28 1.20 0.00 0.00 173.24 175.08 1hkl h SER 113 N 2.68 0.00 -3.34 5.45 0.02 -1.95 -3.35 113.55 113.07 1hkl h SER 113 Ca -0.32 -0.01 -0.41 0.00 -0.84 0.00 0.00 61.79 60.21 1hkl h SER 113 Cb 1.23 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.97 1hkl h SER 113 CO 0.43 0.01 0.03 0.00 -1.14 0.00 0.00 176.83 176.15 1hkl s ALA 114 N -3.35 -0.05 0.30 3.77 0.00 -1.26 -5.05 121.76 116.12 1hkl s ALA 114 Ca -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1hkl s ALA 114 Cb 0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1hkl s ALA 114 CO 0.78 -3.92 0.10 -1.12 0.00 0.00 0.00 175.76 171.61 1hkl s SER 115 N -3.33 1.72 -0.02 0.00 0.01 -1.26 -5.03 113.70 105.79 1hkl s SER 115 Ca 0.69 -1.45 -0.31 0.00 1.31 0.00 0.00 55.95 56.19 1hkl s SER 115 Cb -0.15 0.19 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 1hkl s SER 115 CO 0.58 -0.76 2.00 0.41 0.41 0.00 0.00 173.24 175.88 1hkl n THR 116 N -0.59 0.68 -4.14 1.44 -1.04 -1.26 -4.53 114.28 104.83 1hkl n THR 116 Ca -0.01 -0.18 -0.18 0.00 -2.04 0.00 0.00 64.05 61.65 1hkl n THR 116 Cb 0.66 -2.26 -0.15 0.00 -1.82 0.00 0.00 70.33 66.75 1hkl n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1hkl s LYS 117 N 4.67 0.58 0.52 -2.82 2.20 0.19 -4.92 119.74 120.17 1hkl s LYS 117 Ca 0.92 -0.12 -0.20 0.00 -0.36 0.00 0.00 55.97 56.21 1hkl s LYS 117 Cb -0.47 -0.60 -0.07 0.00 -1.51 0.00 0.00 37.83 35.17 1hkl s LYS 117 CO 0.43 0.01 1.09 0.20 -0.36 0.00 0.00 175.35 176.72 1hkl s GLY 118 N 0.44 2.57 0.67 5.54 0.00 -1.26 -1.51 107.32 113.78 1hkl s GLY 118 Ca -0.05 0.73 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1hkl s GLY 118 CO -0.00 1.07 1.05 2.56 0.00 0.00 0.00 173.10 177.78 1hkl s PRO 119 N -3.29 3.10 -0.32 2.90 0.04 -1.26 -4.45 135.00 131.73 1hkl s PRO 119 Ca 0.70 0.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1hkl s PRO 119 Cb -0.21 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1hkl s PRO 119 CO 0.25 -0.97 0.05 0.45 0.04 0.00 0.00 177.00 176.82 1hkl s SER 120 N -3.83 5.08 -0.22 6.66 0.15 0.41 -4.92 113.70 117.04 1hkl s SER 120 Ca 0.58 -1.24 -0.15 0.00 0.70 0.00 0.00 55.95 55.83 1hkl s SER 120 Cb -0.13 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1hkl s SER 120 CO 0.54 -0.30 0.36 -0.69 1.20 0.00 0.00 173.24 174.35 1hkl s VAL 121 N 1.31 5.21 0.09 4.45 1.01 -1.25 -0.96 120.40 130.25 1hkl s VAL 121 Ca -0.03 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1hkl s VAL 121 Cb -0.20 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1hkl s VAL 121 CO 0.00 0.24 -0.21 -0.36 0.00 0.00 0.00 175.10 174.77 1hkl s PHE 122 N 1.43 1.85 0.07 5.22 0.08 -0.11 -4.94 117.98 121.59 1hkl s PHE 122 Ca 0.17 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 1hkl s PHE 122 Cb -0.15 -1.04 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 1hkl s PHE 122 CO 0.08 0.18 0.97 -1.25 -0.10 0.00 0.00 175.22 175.10 1hkl s PRO 123 N -1.69 4.65 -1.09 0.24 0.04 -1.26 0.12 135.00 136.01 1hkl s PRO 123 Ca 0.07 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.46 1hkl s PRO 123 Cb -0.10 -3.40 0.26 0.00 0.04 0.00 0.00 34.50 31.30 1hkl s PRO 123 CO 0.04 0.12 1.11 -0.51 0.04 0.00 0.00 177.00 177.79 1hkl s LEU 124 N 0.35 6.23 0.49 -3.56 1.02 0.35 -4.88 118.68 118.68 1hkl s LEU 124 Ca 0.49 -3.41 -0.23 0.00 0.02 0.00 0.00 54.13 51.00 1hkl s LEU 124 Cb -0.23 -2.23 -0.06 0.00 0.02 0.00 0.00 46.19 43.68 1hkl s LEU 124 CO 0.29 -0.38 1.27 0.00 0.02 0.00 0.00 176.35 177.55 1hkl s ALA 125 N -0.74 2.95 0.40 4.21 0.00 -1.26 -2.08 121.76 125.25 1hkl s ALA 125 Ca 0.31 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1hkl s ALA 125 Cb -0.09 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1hkl s ALA 125 CO -0.07 -1.00 0.38 -0.35 0.00 0.00 0.00 175.76 174.71 1hkl n PRO 126 N -0.64 0.54 -1.08 0.00 -0.04 -1.26 -4.72 135.00 127.81 1hkl n PRO 126 Ca 0.08 -1.19 -0.03 0.00 -0.04 0.00 0.00 63.50 62.33 1hkl n PRO 126 Cb 0.46 -0.20 -0.01 0.00 -0.04 0.00 0.00 33.50 33.71 1hkl n PRO 126 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1hkl n SER 127 N -2.86 -3.41 -4.66 3.54 7.64 -1.26 -1.79 113.62 110.82 1hkl n SER 127 Ca 0.07 0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 1hkl n SER 127 Cb 0.24 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 1hkl n SER 127 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1hkl s SER 128 N -2.76 6.94 -1.68 6.43 0.01 -1.26 -2.57 113.70 118.80 1hkl s SER 128 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1hkl s SER 128 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1hkl s SER 128 CO 0.00 -0.76 0.00 1.17 0.41 0.00 0.00 173.24 174.06 1hkl n LYS 129 N 6.58 -1.76 -3.84 12.44 3.00 -0.61 -4.92 118.16 129.05 1hkl n LYS 129 Ca 0.14 0.95 -0.08 0.00 -0.00 0.00 0.00 58.31 59.32 1hkl n LYS 129 Cb 0.45 -5.60 0.00 0.00 0.00 0.00 0.00 35.03 29.88 1hkl n LYS 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1hkl s SER 130 N -2.07 -0.13 -0.38 3.14 0.15 -1.06 -5.12 113.70 108.22 1hkl s SER 130 Ca 0.00 -0.86 0.06 0.00 0.70 0.00 0.00 55.95 55.85 1hkl s SER 130 Cb 0.00 0.79 0.18 0.00 -1.71 0.00 0.00 66.02 65.27 1hkl s SER 130 CO 0.00 -1.51 0.56 0.28 1.20 0.00 0.00 173.24 173.77 1hkl s THR 131 N -3.17 -0.84 0.00 6.45 -1.32 -1.26 -4.68 115.64 110.82 1hkl s THR 131 Ca 0.13 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1hkl s THR 131 Cb -0.06 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1hkl s THR 131 CO 0.09 -0.14 0.00 -1.20 -2.21 0.00 0.00 174.62 171.16 1hkl n SER 132 N 4.59 -3.32 -0.85 8.08 7.64 -1.26 -5.03 113.62 123.48 1hkl n SER 132 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1hkl n SER 132 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1hkl n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hkl n GLY 133 N 0.00 -4.08 7.00 0.23 0.00 -1.26 -4.90 105.19 102.18 1hkl n GLY 133 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1hkl n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkl n GLY 134 N 0.36 1.06 3.22 -0.02 0.00 -1.26 -4.65 105.19 103.91 1hkl n GLY 134 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1hkl n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkl s THR 135 N 0.00 2.04 0.38 2.61 2.01 -1.26 -1.06 115.64 120.36 1hkl s THR 135 Ca 0.00 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1hkl s THR 135 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1hkl s THR 135 CO 0.00 0.56 0.26 0.00 -0.69 0.00 0.00 174.62 174.75 1hkl s ALA 136 N 0.28 3.78 -0.04 7.40 0.00 0.20 -4.81 121.76 128.58 1hkl s ALA 136 Ca -0.17 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 49.90 1hkl s ALA 136 Cb -0.17 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1hkl s ALA 136 CO 0.08 -0.09 0.10 0.00 0.00 0.00 0.00 175.76 175.85 1hkl s ALA 137 N -2.44 -0.22 0.28 0.00 0.00 -1.26 -1.25 121.76 116.87 1hkl s ALA 137 Ca 0.43 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1hkl s ALA 137 Cb -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1hkl s ALA 137 CO 0.25 -0.07 0.34 1.47 0.00 0.00 0.00 175.76 177.76 1hkl n LEU 138 N 3.28 0.00 0.00 0.00 -0.00 -0.96 -4.25 117.00 115.07 1hkl n LEU 138 Ca -0.15 -2.46 0.00 0.00 -0.00 0.00 0.00 56.01 53.40 1hkl n LEU 138 Cb 0.58 1.84 0.00 0.00 -0.00 0.00 0.00 43.42 45.84 1hkl n LEU 138 CO 0.22 -0.50 0.00 0.61 -0.00 0.00 0.00 177.39 177.72 1hkl n GLY 139 N -0.50 -1.19 3.05 1.47 0.00 -0.88 0.38 105.19 107.52 1hkl n GLY 139 Ca 0.03 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1hkl n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkl s LEU 141 N 0.07 5.02 -0.52 0.00 2.96 0.12 -1.88 118.68 124.44 1hkl s LEU 141 Ca -0.02 -0.81 -0.16 0.00 -0.22 0.00 0.00 54.13 52.92 1hkl s LEU 141 Cb -0.09 -2.26 0.11 0.00 0.50 0.00 0.00 46.19 44.45 1hkl s LEU 141 CO 0.01 -0.51 0.49 -0.69 -1.32 0.00 0.00 176.35 174.32 1hkl s VAL 142 N 1.88 5.17 0.13 1.68 1.01 0.30 -0.94 120.40 129.63 1hkl s VAL 142 Ca 0.08 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1hkl s VAL 142 Cb -0.18 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1hkl s VAL 142 CO 0.11 -0.80 -0.13 -1.59 0.00 0.00 0.00 175.10 172.69 1hkl s LYS 143 N 1.74 1.04 -0.97 2.72 -2.85 -0.14 0.28 119.74 121.56 1hkl s LYS 143 Ca 0.04 -1.29 -0.04 0.00 -1.00 0.00 0.00 55.97 53.68 1hkl s LYS 143 Cb -0.27 -0.86 -0.05 0.00 -2.06 0.00 0.00 37.83 34.59 1hkl s LYS 143 CO 0.05 0.16 0.84 -0.25 0.10 0.00 0.00 175.35 176.24 1hkl n ASP 144 N 0.37 -5.19 -4.31 0.03 8.00 0.68 -0.44 116.55 115.69 1hkl n ASP 144 Ca -0.14 -0.61 -0.19 0.00 0.71 0.00 0.00 54.79 54.55 1hkl n ASP 144 Cb 0.58 -4.69 -0.11 0.00 -0.02 0.00 0.00 41.12 36.88 1hkl n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1hkl s TYR 145 N -3.34 1.63 -0.27 1.24 1.13 -1.08 -4.39 117.35 112.26 1hkl s TYR 145 Ca 0.31 -0.55 -0.24 0.00 -1.41 0.00 0.00 57.07 55.18 1hkl s TYR 145 Cb -0.04 -0.80 0.09 0.00 -1.10 0.00 0.00 41.96 40.10 1hkl s TYR 145 CO 0.66 0.27 0.82 0.12 -2.51 0.00 0.00 175.55 174.91 1hkl s PHE 146 N -2.46 -0.70 0.00 -3.49 2.19 -0.57 -1.19 117.98 111.76 1hkl s PHE 146 Ca 0.16 1.68 0.00 0.00 0.33 0.00 0.00 56.93 59.10 1hkl s PHE 146 Cb -0.03 0.32 0.00 0.00 -1.31 0.00 0.00 43.02 41.99 1hkl s PHE 146 CO 0.05 -0.34 0.00 -0.35 1.83 0.00 0.00 175.22 176.42 1hkl n PRO 147 N 2.62 2.26 -2.87 10.12 -0.04 -1.26 0.55 135.00 146.38 1hkl n PRO 147 Ca -0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.05 1hkl n PRO 147 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 1hkl n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1hkl s GLU 148 N 1.26 3.58 0.00 0.54 2.02 -1.26 -4.85 118.70 119.98 1hkl s GLU 148 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1hkl s GLU 148 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1hkl s GLU 148 CO 0.00 -0.07 0.00 -0.35 0.02 0.00 0.00 175.26 174.86 1hkl n PRO 149 N -1.89 3.86 -4.11 0.39 -0.04 -1.26 -4.99 135.00 126.96 1hkl n PRO 149 Ca -0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.31 1hkl n PRO 149 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 1hkl n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hkl s VAL 150 N 1.25 0.76 -0.16 0.52 1.01 -1.26 -4.64 120.40 117.88 1hkl s VAL 150 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.72 1hkl s VAL 150 Cb 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1hkl s VAL 150 CO 0.00 -0.39 -0.18 -0.89 0.00 0.00 0.00 175.10 173.64 1hkl s THR 151 N -1.63 1.84 -0.30 3.92 2.01 -0.63 -4.97 115.64 115.89 1hkl s THR 151 Ca -0.04 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1hkl s THR 151 Cb -0.08 -1.68 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1hkl s THR 151 CO 0.01 0.50 0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 1hkl s VAL 152 N 1.30 3.40 0.18 3.82 1.01 -1.26 -1.54 120.40 127.31 1hkl s VAL 152 Ca 0.03 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1hkl s VAL 152 Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1hkl s VAL 152 CO -0.10 -0.01 0.12 -0.44 0.00 0.00 0.00 175.10 174.67 1hkl s SER 153 N 1.37 5.39 -0.15 3.32 0.01 -0.68 -4.93 113.70 118.03 1hkl s SER 153 Ca -0.01 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1hkl s SER 153 Cb -0.18 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1hkl s SER 153 CO 0.00 0.05 -0.18 0.26 0.41 0.00 0.00 173.24 173.79 1hkl s TRP 154 N -1.82 2.74 -1.41 2.43 0.52 -1.26 -0.17 118.94 119.98 1hkl s TRP 154 Ca 0.31 -1.16 -0.07 0.00 0.02 0.00 0.00 56.10 55.19 1hkl s TRP 154 Cb -0.10 -1.87 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1hkl s TRP 154 CO 0.23 -0.53 0.91 0.09 0.02 0.00 0.00 176.95 177.67 1hkl n ASN 155 N 4.09 -3.54 -2.86 2.95 4.13 0.11 -1.46 115.26 118.68 1hkl n ASN 155 Ca -0.19 -0.75 -0.21 0.00 1.68 0.00 0.00 54.58 55.10 1hkl n ASN 155 Cb 0.52 -4.18 0.02 0.00 -1.54 0.00 0.00 39.78 34.59 1hkl n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1hkl n SER 156 N -2.96 -5.65 0.00 6.41 7.64 -1.26 -1.58 113.62 116.22 1hkl n SER 156 Ca -0.11 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1hkl n SER 156 Cb 0.59 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 1hkl n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hkl n GLY 157 N -1.31 0.63 0.24 0.23 0.00 -0.54 -4.95 105.19 99.50 1hkl n GLY 157 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1hkl n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkl h ALA 158 N 0.00 0.50 -2.48 4.61 0.00 -0.91 -3.41 119.26 117.57 1hkl h ALA 158 Ca 0.00 -0.42 -0.72 0.00 0.00 0.00 0.00 54.91 53.77 1hkl h ALA 158 Cb 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 17.47 1hkl h ALA 158 CO 0.00 0.55 -0.40 -1.17 0.00 0.00 0.00 179.25 178.23 1hkl s LEU 159 N -8.96 5.11 -0.10 0.00 2.96 -0.84 -4.88 118.68 111.98 1hkl s LEU 159 Ca -0.12 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 52.88 1hkl s LEU 159 Cb 0.10 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.55 1hkl s LEU 159 CO 0.85 -0.47 -0.10 0.35 -1.32 0.00 0.00 176.35 175.66 1hkl n THR 160 N 5.19 0.55 -1.70 3.68 -2.24 -1.26 -4.16 114.28 114.33 1hkl n THR 160 Ca -0.11 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 1hkl n THR 160 Cb 0.47 -1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 1hkl n THR 160 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hkl n SER 161 N -2.99 3.79 0.00 3.42 7.64 -1.26 -2.32 113.62 121.91 1hkl n SER 161 Ca -0.18 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1hkl n SER 161 Cb 0.67 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1hkl n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hkl n GLY 162 N 3.92 0.91 3.73 0.23 0.00 -1.26 -4.71 105.19 108.01 1hkl n GLY 162 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1hkl n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hkl s VAL 163 N -3.63 4.57 -0.22 1.61 1.01 -0.98 -2.39 120.40 120.37 1hkl s VAL 163 Ca 0.00 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 1hkl s VAL 163 Cb 0.00 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.15 1hkl s VAL 163 CO 0.00 0.31 -0.00 -1.00 0.00 0.00 0.00 175.10 174.41 1hkl s HIS 164 N 0.07 1.78 -0.48 5.22 3.76 0.90 -4.99 115.29 121.56 1hkl s HIS 164 Ca 0.46 -1.38 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 1hkl s HIS 164 Cb -0.23 -1.36 0.11 0.00 1.11 0.00 0.00 32.58 32.21 1hkl s HIS 164 CO 0.29 -0.71 0.36 0.99 -0.85 0.00 0.00 174.74 174.82 1hkl s THR 165 N 1.60 4.46 0.68 1.30 2.01 -1.26 -0.57 115.64 123.86 1hkl s THR 165 Ca -0.03 -1.63 -0.15 0.00 0.31 0.00 0.00 61.69 60.19 1hkl s THR 165 Cb -0.18 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1hkl s THR 165 CO -0.08 -0.74 1.14 -0.36 -0.69 0.00 0.00 174.62 173.89 1hkl s PHE 166 N 1.43 2.43 0.67 4.92 0.08 -0.26 -4.99 117.98 122.27 1hkl s PHE 166 Ca 0.05 1.57 -0.17 0.00 0.12 0.00 0.00 56.93 58.49 1hkl s PHE 166 Cb -0.26 -3.27 0.01 0.00 -0.57 0.00 0.00 43.02 38.92 1hkl s PHE 166 CO 0.01 -1.98 1.26 -2.14 -0.10 0.00 0.00 175.22 172.27 1hkl s PRO 167 N -4.00 2.42 0.47 0.24 0.02 -1.26 -4.48 135.00 128.41 1hkl s PRO 167 Ca 0.70 1.96 -0.22 0.00 0.02 0.00 0.00 61.00 63.46 1hkl s PRO 167 Cb -0.23 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1hkl s PRO 167 CO 0.42 -1.68 1.11 0.00 -0.33 0.00 0.00 177.00 176.52 1hkl s ALA 168 N -1.59 2.91 -0.18 -1.55 0.00 -1.26 -4.80 121.76 115.29 1hkl s ALA 168 Ca 0.80 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 1hkl s ALA 168 Cb -0.35 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 1hkl s ALA 168 CO 0.41 -0.51 -0.12 0.08 0.00 0.00 0.00 175.76 175.62 1hkl s VAL 169 N -1.71 2.85 -0.12 0.00 1.01 0.17 -4.93 120.40 117.67 1hkl s VAL 169 Ca 0.65 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1hkl s VAL 169 Cb -0.24 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1hkl s VAL 169 CO 0.28 0.49 1.20 -0.22 0.00 0.00 0.00 175.10 176.84 1hkl s LEU 170 N 1.14 4.22 0.52 3.92 2.96 -1.26 -2.39 118.68 127.79 1hkl s LEU 170 Ca 0.01 1.70 -0.00 0.00 -0.22 0.00 0.00 54.13 55.62 1hkl s LEU 170 Cb -0.14 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1hkl s LEU 170 CO -0.04 -0.65 0.76 -1.10 -1.32 0.00 0.00 176.35 173.99 1hkl s GLN 171 N 2.81 2.76 0.57 1.98 -0.21 -0.19 -4.99 119.66 122.40 1hkl s GLN 171 Ca 0.54 -0.58 0.29 0.00 0.02 0.00 0.00 55.36 55.62 1hkl s GLN 171 Cb -0.22 -2.48 1.73 0.00 1.00 0.00 0.00 33.01 33.03 1hkl s GLN 171 CO 0.17 -0.57 2.21 0.66 -2.12 0.00 0.00 175.29 175.65 1hkl h SER 172 N 0.15 0.00 0.55 5.90 4.64 -1.96 -0.42 113.55 122.41 1hkl h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1hkl h SER 172 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1hkl h SER 172 CO 0.55 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 1hkl n SER 173 N -3.81 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 112.07 1hkl n SER 173 Ca -0.03 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1hkl n SER 173 Cb 0.12 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1hkl n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hkl n GLY 174 N 1.04 1.01 3.93 5.00 0.00 -0.17 -4.98 105.19 111.03 1hkl n GLY 174 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1hkl n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hkl s LEU 175 N 0.00 4.03 0.38 0.99 1.02 -1.26 -4.83 118.68 119.02 1hkl s LEU 175 Ca 0.00 0.51 0.07 0.00 0.02 0.00 0.00 54.13 54.73 1hkl s LEU 175 Cb 0.00 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.86 1hkl s LEU 175 CO 0.00 -0.26 0.53 -0.31 0.02 0.00 0.00 176.35 176.33 1hkl s TYR 176 N -2.24 2.96 -0.14 0.29 2.02 -0.33 -1.02 117.35 118.89 1hkl s TYR 176 Ca 0.41 -0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.53 1hkl s TYR 176 Cb -0.10 -2.20 0.09 0.00 -0.40 0.00 0.00 41.96 39.35 1hkl s TYR 176 CO 0.34 -0.24 0.80 0.45 -1.57 0.00 0.00 175.55 175.34 1hkl s SER 177 N -4.27 -0.58 0.37 2.29 0.15 -1.00 -0.23 113.70 110.43 1hkl s SER 177 Ca 0.50 0.80 -0.12 0.00 0.70 0.00 0.00 55.95 57.84 1hkl s SER 177 Cb -0.10 0.70 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1hkl s SER 177 CO 0.32 -0.43 0.69 -1.48 1.20 0.00 0.00 173.24 173.55 1hkl s LEU 178 N -0.71 0.32 -0.00 3.45 0.05 0.14 -0.66 118.68 121.28 1hkl s LEU 178 Ca -0.05 -1.25 -0.02 0.00 0.05 0.00 0.00 54.13 52.85 1hkl s LEU 178 Cb -0.02 2.42 -0.00 0.00 -2.05 0.00 0.00 46.19 46.54 1hkl s LEU 178 CO 0.04 -1.57 0.05 -0.44 -0.55 0.00 0.00 176.35 173.88 1hkl s SER 179 N -3.12 0.05 -0.32 1.48 0.01 -1.26 -0.54 113.70 110.00 1hkl s SER 179 Ca 0.20 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1hkl s SER 179 Cb -0.04 0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.42 1hkl s SER 179 CO 0.14 -0.18 0.07 -0.55 0.41 0.00 0.00 173.24 173.13 1hkl s SER 180 N -0.72 4.37 0.23 2.44 0.15 -0.79 -1.10 113.70 118.28 1hkl s SER 180 Ca -0.08 -1.86 -0.04 0.00 0.70 0.00 0.00 55.95 54.67 1hkl s SER 180 Cb -0.05 -1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1hkl s SER 180 CO 0.00 -0.39 0.46 -0.69 1.20 0.00 0.00 173.24 173.82 1hkl s VAL 181 N 1.27 5.11 -0.02 4.45 1.01 0.27 -1.02 120.40 131.47 1hkl s VAL 181 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1hkl s VAL 181 Cb -0.18 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1hkl s VAL 181 CO -0.16 -0.18 -0.01 0.54 0.00 0.00 0.00 175.10 175.29 1hkl s VAL 182 N -1.91 0.18 -0.29 2.92 0.11 0.16 -0.07 120.40 121.50 1hkl s VAL 182 Ca 0.42 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.31 1hkl s VAL 182 Cb -0.11 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1hkl s VAL 182 CO 0.28 0.12 0.55 -0.89 -3.33 0.00 0.00 175.10 171.82 1hkl s THR 183 N 0.68 5.02 0.10 5.04 2.01 -1.01 -2.26 115.64 125.22 1hkl s THR 183 Ca -0.07 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1hkl s THR 183 Cb -0.10 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1hkl s THR 183 CO -0.01 -0.04 -0.09 0.68 -0.69 0.00 0.00 174.62 174.46 1hkl s VAL 184 N 2.42 0.89 0.41 3.82 -7.23 -0.38 -4.71 120.40 115.61 1hkl s VAL 184 Ca 0.22 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.47 1hkl s VAL 184 Cb -0.15 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 1hkl s VAL 184 CO 0.11 -0.60 1.38 -2.84 -0.31 0.00 0.00 175.10 172.84 1hkl s PRO 185 N -2.89 3.94 0.43 4.82 0.02 -1.26 -0.63 135.00 139.43 1hkl s PRO 185 Ca 0.06 2.32 0.21 0.00 0.02 0.00 0.00 61.00 63.61 1hkl s PRO 185 Cb -0.02 -2.80 0.95 0.00 0.02 0.00 0.00 34.50 32.65 1hkl s PRO 185 CO -0.01 -0.57 1.86 0.77 -0.33 0.00 0.00 177.00 178.72 1hkl h SER 186 N 2.70 0.00 0.31 2.53 0.02 -1.36 -3.06 113.55 114.69 1hkl h SER 186 Ca -0.50 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1hkl h SER 186 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1hkl h SER 186 CO 0.63 0.27 -0.17 0.77 -1.14 0.00 0.00 176.83 177.19 1hkl h SER 187 N 0.00 0.00 0.74 3.07 4.64 -1.90 -2.96 113.55 117.14 1hkl h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hkl h SER 187 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1hkl h SER 187 CO 0.04 0.17 -0.15 -1.54 -0.87 0.00 0.00 176.83 174.48 1hkl n SER 188 N -3.92 0.21 0.00 4.97 3.41 -1.15 -4.43 113.62 112.71 1hkl n SER 188 Ca -0.02 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1hkl n SER 188 Cb 0.26 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1hkl n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hkl n LEU 189 N -1.40 0.00 0.00 1.04 4.77 -1.12 -0.60 117.00 119.69 1hkl n LEU 189 Ca 0.08 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1hkl n LEU 189 Cb 0.32 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1hkl n LEU 189 CO 0.28 -0.22 0.10 0.61 -1.33 0.00 0.00 177.39 176.83 1hkl n GLY 190 N -1.19 0.11 0.11 -0.72 0.00 -1.26 -4.53 105.19 97.71 1hkl n GLY 190 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1hkl n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hkl n THR 191 N -0.02 1.04 -3.68 2.61 -2.24 0.23 -4.99 114.28 107.23 1hkl n THR 191 Ca 0.00 -1.18 -0.09 0.00 -2.27 0.00 0.00 64.05 60.50 1hkl n THR 191 Cb 0.22 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 1hkl n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1hkl s GLN 192 N -1.42 0.40 -0.19 -0.78 -0.44 -0.61 -5.03 119.66 111.59 1hkl s GLN 192 Ca 0.12 0.93 -0.18 0.00 -2.50 0.00 0.00 55.36 53.73 1hkl s GLN 192 Cb 0.11 0.13 -0.03 0.00 -1.64 0.00 0.00 33.01 31.58 1hkl s GLN 192 CO 0.01 -0.19 0.51 0.95 0.50 0.00 0.00 175.29 177.08 1hkl s THR 193 N 1.86 5.11 -0.27 -0.34 -4.23 -1.26 -4.78 115.64 111.74 1hkl s THR 193 Ca -0.07 0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 61.31 1hkl s THR 193 Cb -0.09 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.88 1hkl s THR 193 CO -0.14 0.19 0.10 -0.31 -0.54 0.00 0.00 174.62 173.93 1hkl s TYR 194 N 1.53 3.12 -0.06 3.99 2.02 -1.26 -4.95 117.35 121.73 1hkl s TYR 194 Ca 0.24 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.54 1hkl s TYR 194 Cb -0.15 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1hkl s TYR 194 CO 0.10 -0.38 -0.23 0.42 -1.57 0.00 0.00 175.55 173.88 1hkl s ILE 195 N 1.62 1.95 -0.18 2.71 -1.09 -1.26 -2.07 121.20 122.88 1hkl s ILE 195 Ca 0.06 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 57.42 1hkl s ILE 195 Cb -0.16 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1hkl s ILE 195 CO 0.05 0.54 0.05 0.00 -1.23 0.00 0.00 174.94 174.34 1hkl s ASN 197 N 0.34 5.89 -0.19 0.00 -0.87 0.76 -1.35 114.94 119.53 1hkl s ASN 197 Ca 0.02 -2.08 -0.16 0.00 -1.57 0.00 0.00 52.86 49.08 1hkl s ASN 197 Cb -0.13 -2.06 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 1hkl s ASN 197 CO 0.00 -0.68 0.38 -0.69 -2.57 0.00 0.00 177.10 173.54 1hkl s VAL 198 N 1.13 5.22 -0.03 1.60 1.01 -0.34 -1.69 120.40 127.30 1hkl s VAL 198 Ca 0.08 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.80 1hkl s VAL 198 Cb -0.24 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1hkl s VAL 198 CO -0.01 0.28 -0.20 0.21 0.00 0.00 0.00 175.10 175.38 1hkl s ASN 199 N 0.94 2.36 -0.34 3.32 3.04 -0.59 -1.28 114.94 122.40 1hkl s ASN 199 Ca 0.19 -0.37 -0.00 0.00 0.04 0.00 0.00 52.86 52.71 1hkl s ASN 199 Cb -0.14 -0.43 0.14 0.00 -1.54 0.00 0.00 41.25 39.27 1hkl s ASN 199 CO 0.07 0.22 0.23 -2.28 -3.04 0.00 0.00 177.10 172.30 1hkl s HIS 200 N -0.28 0.40 0.17 0.43 2.46 -0.12 -1.61 115.29 116.75 1hkl s HIS 200 Ca 0.03 -1.28 -0.19 0.00 0.47 0.00 0.00 55.06 54.10 1hkl s HIS 200 Cb -0.10 -0.79 0.10 0.00 -0.13 0.00 0.00 32.58 31.66 1hkl s HIS 200 CO 0.01 -0.86 1.64 0.87 -2.47 0.00 0.00 174.74 173.93 1hkl h LYS 201 N 7.33 -0.11 -1.00 2.88 1.57 -1.82 -0.08 116.57 125.34 1hkl h LYS 201 Ca 0.00 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.11 1hkl h LYS 201 Cb 1.00 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.18 1hkl h LYS 201 CO 0.28 -0.07 0.55 -1.35 -0.57 0.00 0.00 179.45 178.30 1hkl h PRO 202 N -0.11 0.31 -0.00 3.15 0.11 -1.94 0.64 132.00 134.17 1hkl h PRO 202 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1hkl h PRO 202 Cb 0.41 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1hkl h PRO 202 CO -0.47 0.20 -0.90 -1.13 -0.21 0.00 0.00 178.00 175.50 1hkl n SER 203 N -5.06 0.97 -1.99 -2.05 3.41 -1.08 -4.96 113.62 102.87 1hkl n SER 203 Ca 0.31 -0.91 -0.15 0.00 -0.26 0.00 0.00 58.87 57.86 1hkl n SER 203 Cb 0.97 0.86 0.02 0.00 -0.26 0.00 0.00 64.21 65.80 1hkl n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hkl n ASN 204 N -1.43 -4.59 -4.78 4.04 5.03 0.22 -4.95 115.26 108.80 1hkl n ASN 204 Ca 0.04 -0.15 -0.39 0.00 0.87 0.00 0.00 54.58 54.96 1hkl n ASN 204 Cb 0.34 -3.53 -0.06 0.00 -1.02 0.00 0.00 39.78 35.51 1hkl n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1hkl s THR 205 N -2.90 4.81 -0.09 3.41 2.01 -0.34 -4.95 115.64 117.58 1hkl s THR 205 Ca 0.15 1.25 -0.03 0.00 0.31 0.00 0.00 61.69 63.37 1hkl s THR 205 Cb -0.07 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.57 1hkl s THR 205 CO 0.19 0.48 0.14 -0.75 -0.69 0.00 0.00 174.62 173.99 1hkl s LYS 206 N -0.63 0.02 0.07 4.92 2.36 -1.26 -0.94 119.74 124.29 1hkl s LYS 206 Ca 0.30 0.44 0.01 0.00 -2.55 0.00 0.00 55.97 54.17 1hkl s LYS 206 Cb -0.19 -0.54 -0.04 0.00 -1.05 0.00 0.00 37.83 36.01 1hkl s LYS 206 CO 0.18 -0.37 -0.05 0.14 1.55 0.00 0.00 175.35 176.80 1hkl s VAL 207 N 2.26 0.48 -0.08 4.02 -7.23 -0.40 -5.03 120.40 114.41 1hkl s VAL 207 Ca 0.04 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1hkl s VAL 207 Cb -0.13 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.33 1hkl s VAL 207 CO -0.06 -0.89 -0.00 -1.81 -0.31 0.00 0.00 175.10 172.03 1hkl s ASP 208 N -2.87 1.72 -0.16 4.85 1.01 -1.26 -1.19 116.67 118.78 1hkl s ASP 208 Ca 0.08 -0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.17 1hkl s ASP 208 Cb 0.05 -0.49 -0.02 0.00 1.01 0.00 0.00 42.92 43.48 1hkl s ASP 208 CO -0.06 -0.19 -0.08 -0.75 0.21 0.00 0.00 175.17 174.29 1hkl s LYS 209 N 1.94 3.48 -0.21 8.23 2.47 -0.46 -4.91 119.74 130.28 1hkl s LYS 209 Ca 0.05 -0.62 -0.18 0.00 -1.56 0.00 0.00 55.97 53.66 1hkl s LYS 209 Cb -0.13 -2.80 -0.03 0.00 -1.46 0.00 0.00 37.83 33.41 1hkl s LYS 209 CO -0.06 0.14 0.52 0.21 0.16 0.00 0.00 175.35 176.33 1hkl s LYS 210 N 0.58 4.16 -0.24 4.03 2.20 -1.26 -1.22 119.74 127.99 1hkl s LYS 210 Ca -0.05 0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.87 1hkl s LYS 210 Cb -0.15 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1hkl s LYS 210 CO 0.03 -0.19 0.09 0.08 -0.36 0.00 0.00 175.35 175.00 1hkl s VAL 211 N 1.79 4.62 0.14 4.02 1.01 -0.88 -4.90 120.40 126.20 1hkl s VAL 211 Ca 0.23 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1hkl s VAL 211 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1hkl s VAL 211 CO 0.09 0.35 -0.15 -1.83 0.00 0.00 0.00 175.10 173.56 1hkl s GLU 212 N 1.36 1.13 0.46 2.72 -1.05 -1.26 -4.39 118.70 117.67 1hkl s GLU 212 Ca 0.06 -1.34 -0.24 0.00 -0.15 0.00 0.00 54.97 53.30 1hkl s GLU 212 Cb -0.15 -1.03 -0.07 0.00 -0.44 0.00 0.00 34.13 32.44 1hkl s GLU 212 CO 0.05 0.20 1.31 -2.14 0.95 0.00 0.00 175.26 175.62 1hkl s PRO 213 N -2.88 3.67 0.01 -4.83 0.02 -1.26 -4.15 135.00 125.58 1hkl s PRO 213 Ca 0.13 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1hkl s PRO 213 Cb -0.04 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 1hkl s PRO 213 CO 0.04 -0.74 -0.03 0.15 -0.33 0.00 0.00 177.00 176.09 1hkl s LYS 214 N -2.54 0.26 0.00 5.54 -0.14 -0.74 -4.95 119.74 117.17 1hkl s LYS 214 Ca 0.63 -0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.84 1hkl s LYS 214 Cb -0.38 -0.06 -0.09 0.00 -1.68 0.00 0.00 37.83 35.62 1hkl s LYS 214 CO 0.47 0.00 2.31 0.43 -0.76 0.00 0.00 175.35 177.80 1hkl n SER 215 N 2.24 4.52 -0.92 2.83 7.64 -1.26 -4.08 113.62 124.59 1hkl n SER 215 Ca -0.18 -2.26 0.11 0.00 1.01 0.00 0.00 58.87 57.55 1hkl n SER 215 Cb 0.57 -1.07 0.10 0.00 -1.01 0.00 0.00 64.21 62.80 1hkl n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03