#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g64 s PHE 2 N 0.00 -0.44 0.09 3.17 5.36 -1.26 -5.13 117.98 119.78 2g64 s PHE 2 Ca 0.00 0.74 -0.31 0.00 -0.96 0.00 0.00 56.93 56.40 2g64 s PHE 2 Cb 0.00 -0.12 -0.08 0.00 -0.34 0.00 0.00 43.02 42.48 2g64 s PHE 2 CO 0.00 -0.48 1.44 0.50 -1.46 0.00 0.00 175.22 175.22 2g64 s ARG 3 N 2.41 4.29 0.55 10.12 3.52 -1.26 -5.01 118.95 133.57 2g64 s ARG 3 Ca 0.04 2.12 -0.04 0.00 -0.13 0.00 0.00 55.73 57.72 2g64 s ARG 3 Cb -0.14 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 2g64 s ARG 3 CO -0.11 -0.52 0.83 -1.64 -0.81 0.00 0.00 175.30 173.06 2g64 s MET 4 N 1.52 2.94 0.49 5.12 -1.94 -1.26 -5.03 119.30 121.14 2g64 s MET 4 Ca 0.66 -0.18 -0.23 0.00 -1.71 0.00 0.00 55.69 54.23 2g64 s MET 4 Cb -0.37 -2.36 -0.08 0.00 2.01 0.00 0.00 34.83 34.03 2g64 s MET 4 CO 0.30 -0.58 1.18 -2.30 -0.01 0.00 0.00 175.02 173.61 2g64 n PRO 5 N -2.43 1.55 -3.52 2.03 -0.02 -1.26 -4.67 135.00 126.67 2g64 n PRO 5 Ca 0.04 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 2g64 n PRO 5 Cb 0.58 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 2g64 n PRO 5 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g64 s ILE 6 N -1.30 5.28 0.10 4.25 -1.09 -1.26 -1.27 121.20 125.91 2g64 s ILE 6 Ca 0.67 0.44 0.04 0.00 -2.23 0.00 0.00 60.65 59.57 2g64 s ILE 6 Cb -0.47 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2g64 s ILE 6 CO 0.53 0.30 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.75 2g64 s VAL 7 N 1.20 0.97 0.09 2.92 1.01 -0.76 -4.95 120.40 120.88 2g64 s VAL 7 Ca 0.13 -1.68 0.03 0.00 0.00 0.00 0.00 61.98 60.46 2g64 s VAL 7 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2g64 s VAL 7 CO 0.06 -0.57 0.13 0.42 0.00 0.00 0.00 175.10 175.14 2g64 s THR 8 N -2.52 4.75 -0.06 3.92 -4.23 -1.26 -2.14 115.64 114.11 2g64 s THR 8 Ca 0.07 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 2g64 s THR 8 Cb -0.02 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.52 2g64 s THR 8 CO 0.00 0.09 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.82 2g64 s MET 9 N -2.55 0.77 -0.03 3.99 0.00 -0.27 -4.97 119.30 116.24 2g64 s MET 9 Ca 0.31 -0.03 0.04 0.00 0.00 0.00 0.00 55.69 56.00 2g64 s MET 9 Cb -0.12 -0.91 -0.00 0.00 0.00 0.00 0.00 34.83 33.80 2g64 s MET 9 CO 0.24 -0.17 -0.13 -2.00 0.00 0.00 0.00 175.02 172.96 2g64 s GLU 10 N 1.32 1.30 -0.06 4.11 2.12 -1.26 0.34 118.70 126.57 2g64 s GLU 10 Ca -0.05 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 54.85 2g64 s GLU 10 Cb -0.13 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.07 2g64 s GLU 10 CO -0.02 0.21 -0.16 0.50 -0.54 0.00 0.00 175.26 175.25 2g64 s ARG 11 N -0.01 1.90 -0.13 4.30 6.06 -0.05 -4.94 118.95 126.09 2g64 s ARG 11 Ca -0.01 -0.58 -0.01 0.00 -2.50 0.00 0.00 55.73 52.63 2g64 s ARG 11 Cb -0.09 -1.59 -0.02 0.00 0.06 0.00 0.00 34.95 33.32 2g64 s ARG 11 CO 0.01 0.17 -0.10 0.08 -2.50 0.00 0.00 175.30 172.96 2g64 s VAL 12 N 0.27 3.38 0.05 7.11 1.01 -1.26 -0.78 120.40 130.18 2g64 s VAL 12 Ca -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2g64 s VAL 12 Cb -0.14 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 2g64 s VAL 12 CO 0.03 0.52 0.06 -0.67 0.00 0.00 0.00 175.10 175.04 2g64 n ASP 13 N 3.36 -0.15 -3.76 3.32 -0.08 -0.16 -5.00 116.55 114.08 2g64 n ASP 13 Ca -0.18 -1.33 -0.10 0.00 -1.51 0.00 0.00 54.79 51.68 2g64 n ASP 13 Cb 0.53 0.31 -0.06 0.00 2.34 0.00 0.00 41.12 44.24 2g64 n ASP 13 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2g64 s SER 14 N -1.36 -0.09 -0.01 1.67 0.01 -1.26 -0.65 113.70 112.01 2g64 s SER 14 Ca 0.06 -0.52 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 2g64 s SER 14 Cb 0.00 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.69 2g64 s SER 14 CO 0.04 -0.85 0.26 0.72 0.41 0.00 0.00 173.24 173.82 2g64 s PHE 15 N -3.85 -0.12 -0.18 2.43 -0.12 -0.37 -4.93 117.98 110.83 2g64 s PHE 15 Ca 0.06 0.15 -0.07 0.00 -0.05 0.00 0.00 56.93 57.03 2g64 s PHE 15 Cb 0.03 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2g64 s PHE 15 CO -0.09 -0.36 0.05 0.45 -0.05 0.00 0.00 175.22 175.23 2g64 s SER 16 N -1.33 5.50 0.03 1.98 0.15 -1.26 -0.17 113.70 118.60 2g64 s SER 16 Ca -0.14 0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.40 2g64 s SER 16 Cb -0.06 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.33 2g64 s SER 16 CO 0.03 0.16 0.33 0.00 1.20 0.00 0.00 173.24 174.96 2g64 s ALA 17 N 0.47 -0.78 0.20 5.45 0.00 -0.83 0.70 121.76 126.96 2g64 s ALA 17 Ca 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 2g64 s ALA 17 Cb -0.13 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2g64 s ALA 17 CO 0.01 -0.40 0.41 0.00 0.00 0.00 0.00 175.76 175.78 2g64 s ALA 18 N -2.31 3.79 0.28 0.00 0.00 -0.27 -1.59 121.76 121.66 2g64 s ALA 18 Ca -0.07 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 2g64 s ALA 18 Cb -0.02 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.04 2g64 s ALA 18 CO -0.02 0.47 0.68 -3.38 0.00 0.00 0.00 175.76 173.52 2g64 s HIS 19 N -1.85 -0.09 -0.02 0.00 -0.00 0.08 -0.72 115.29 112.70 2g64 s HIS 19 Ca 0.40 -0.36 0.00 0.00 -0.00 0.00 0.00 55.06 55.10 2g64 s HIS 19 Cb -0.11 0.63 0.02 0.00 -0.00 0.00 0.00 32.58 33.12 2g64 s HIS 19 CO 0.28 -1.21 0.01 0.50 -0.00 0.00 0.00 174.74 174.33 2g64 s ARG 20 N -3.90 0.06 -0.40 -0.38 3.52 -1.26 -1.32 118.95 115.27 2g64 s ARG 20 Ca 0.13 0.11 -0.26 0.00 -0.13 0.00 0.00 55.73 55.59 2g64 s ARG 20 Cb -0.05 -0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.10 2g64 s ARG 20 CO 0.07 -0.12 0.92 -0.51 -0.81 0.00 0.00 175.30 174.86 2g64 s LEU 21 N 0.80 4.00 -0.24 -0.88 1.43 -0.72 -4.71 118.68 118.36 2g64 s LEU 21 Ca -0.07 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2g64 s LEU 21 Cb -0.10 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 43.01 2g64 s LEU 21 CO -0.02 -0.93 0.51 -2.28 0.23 0.00 0.00 176.35 173.86 2g64 s HIS 22 N 3.57 -1.04 -0.12 0.29 2.46 -1.26 -4.03 115.29 115.15 2g64 s HIS 22 Ca 0.37 1.77 -0.16 0.00 0.47 0.00 0.00 55.06 57.52 2g64 s HIS 22 Cb -0.11 0.48 -0.05 0.00 -0.13 0.00 0.00 32.58 32.77 2g64 s HIS 22 CO 0.22 -0.59 0.38 0.45 -2.47 0.00 0.00 174.74 172.74 2g64 s SER 23 N 2.72 6.59 0.14 9.88 0.15 -1.26 -4.85 113.70 127.06 2g64 s SER 23 Ca -0.01 0.69 0.17 0.00 0.70 0.00 0.00 55.95 57.50 2g64 s SER 23 Cb -0.12 -2.23 0.74 0.00 -1.71 0.00 0.00 66.02 62.69 2g64 s SER 23 CO -0.16 0.08 1.51 -0.62 1.20 0.00 0.00 173.24 175.26 2g64 n GLU 24 N 3.40 0.09 -0.10 5.44 -0.58 -1.26 -2.40 120.64 125.23 2g64 n GLU 24 Ca -0.10 0.40 0.11 0.00 -0.42 0.00 0.00 57.16 57.15 2g64 n GLU 24 Cb 0.52 -1.70 0.32 0.00 -0.57 0.00 0.00 31.44 30.01 2g64 n GLU 24 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2g64 n LYS 25 N -1.87 1.99 -4.37 3.49 4.76 -1.26 -4.90 118.16 116.00 2g64 n LYS 25 Ca 0.02 -1.48 -0.29 0.00 -2.87 0.00 0.00 58.31 53.69 2g64 n LYS 25 Cb 0.15 -1.44 -0.12 0.00 -1.84 0.00 0.00 35.03 31.78 2g64 n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2g64 s LEU 26 N -1.59 2.45 0.96 -0.35 1.43 -1.01 -5.12 118.68 115.44 2g64 s LEU 26 Ca 0.34 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2g64 s LEU 26 Cb 0.19 -1.32 0.16 0.00 0.03 0.00 0.00 46.19 45.26 2g64 s LEU 26 CO 0.28 0.17 1.10 -0.94 0.23 0.00 0.00 176.35 177.19 2g64 s SER 27 N -2.14 2.98 0.17 2.29 1.04 -1.26 -4.76 113.70 112.01 2g64 s SER 27 Ca 0.16 1.26 -0.14 0.00 0.48 0.00 0.00 55.95 57.70 2g64 s SER 27 Cb -0.10 -1.92 0.13 0.00 0.10 0.00 0.00 66.02 64.23 2g64 s SER 27 CO 0.08 -2.92 1.73 0.44 0.98 0.00 0.00 173.24 173.55 2g64 h ASP 28 N -1.75 0.07 -0.50 7.02 3.32 -1.99 0.34 116.42 122.94 2g64 h ASP 28 Ca -0.53 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 2g64 h ASP 28 Cb 1.32 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 2g64 h ASP 28 CO 0.57 0.07 0.26 0.00 -1.72 0.00 0.00 179.24 178.43 2g64 h ALA 29 N 1.31 0.64 -0.76 3.45 0.00 -1.99 -1.35 119.26 120.55 2g64 h ALA 29 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2g64 h ALA 29 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2g64 h ALA 29 CO -0.25 0.18 0.39 0.93 0.00 0.00 0.00 179.25 180.51 2g64 h GLU 30 N 0.66 1.08 -0.57 0.00 5.08 -1.84 -0.40 114.58 118.60 2g64 h GLU 30 Ca 0.17 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2g64 h GLU 30 Cb 0.08 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2g64 h GLU 30 CO -0.03 0.82 0.26 -0.91 -1.00 0.00 0.00 179.01 178.15 2g64 h ASN 31 N 1.06 0.76 -0.61 1.42 2.35 -0.76 0.35 115.58 120.16 2g64 h ASN 31 Ca 0.26 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2g64 h ASN 31 Cb 0.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2g64 h ASN 31 CO -0.04 0.70 0.38 0.50 -1.65 0.00 0.00 177.43 177.32 2g64 h LYS 32 N 0.78 0.81 -0.36 0.81 1.63 -0.98 -0.62 116.57 118.64 2g64 h LYS 32 Ca 0.19 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2g64 h LYS 32 Cb 0.15 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2g64 h LYS 32 CO -0.02 0.57 -0.03 1.49 -3.45 0.00 0.00 179.45 178.01 2g64 h GLU 33 N 0.82 0.65 -0.22 1.90 4.57 -0.60 0.15 114.58 121.84 2g64 h GLU 33 Ca 0.22 -0.22 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 2g64 h GLU 33 Cb -0.05 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2g64 h GLU 33 CO -0.04 0.78 -0.51 1.15 -1.18 0.00 0.00 179.01 179.20 2g64 h THR 34 N 0.45 1.30 0.00 0.32 2.02 -0.26 -3.37 112.91 113.38 2g64 h THR 34 Ca 0.10 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.55 2g64 h THR 34 Cb 0.51 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2g64 h THR 34 CO 0.02 0.55 -1.15 0.49 0.37 0.00 0.00 175.52 175.81 2g64 n PHE 35 N -4.12 0.00 -1.78 3.16 3.72 -0.25 -5.06 117.46 113.13 2g64 n PHE 35 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2g64 n PHE 35 Cb 0.60 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2g64 n PHE 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g64 n GLY 36 N 1.53 3.01 0.31 1.37 0.00 0.51 -1.53 105.19 110.40 2g64 n GLY 36 Ca -0.00 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 45.99 2g64 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g64 h LYS 37 N 0.00 0.00 0.00 1.61 1.57 -1.96 -0.40 116.57 117.38 2g64 h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2g64 h LYS 37 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2g64 h LYS 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2g64 n ASN 39 N -2.47 1.52 -4.59 0.00 2.85 -0.16 -1.75 115.26 110.65 2g64 n ASN 39 Ca -0.00 -1.81 -0.55 0.00 -0.11 0.00 0.00 54.58 52.11 2g64 n ASN 39 Cb 0.15 -0.14 -0.07 0.00 1.24 0.00 0.00 39.78 40.96 2g64 n ASN 39 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2g64 n ASN 40 N 0.27 1.38 0.03 1.20 5.15 -0.61 -4.79 115.26 117.89 2g64 n ASN 40 Ca 0.13 1.12 0.03 0.00 -0.60 0.00 0.00 54.58 55.27 2g64 n ASN 40 Cb 0.28 -1.11 0.42 0.00 -0.53 0.00 0.00 39.78 38.83 2g64 n ASN 40 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2g64 h SER 41 N 4.59 0.41 -0.27 1.20 4.64 -1.92 0.60 113.55 122.80 2g64 h SER 41 Ca -0.48 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2g64 h SER 41 Cb 1.35 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2g64 h SER 41 CO 0.78 0.35 0.00 0.59 -0.87 0.00 0.00 176.83 177.68 2g64 n ASN 42 N -4.43 2.06 0.00 4.97 3.02 -1.26 -5.05 115.26 114.57 2g64 n ASN 42 Ca 0.02 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2g64 n ASN 42 Cb 0.11 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2g64 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g64 n GLY 43 N 1.19 -2.45 0.00 7.41 0.00 0.20 -5.01 105.19 106.52 2g64 n GLY 43 Ca 0.16 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2g64 n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2g64 n HIS 44 N -0.40 -0.48 -3.82 1.61 1.44 -0.43 -4.87 115.22 108.26 2g64 n HIS 44 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 2g64 n HIS 44 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 2g64 n HIS 44 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2g64 s GLY 45 N -0.51 -0.00 0.00 -1.39 0.00 -1.26 -0.74 107.32 103.41 2g64 s GLY 45 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 2g64 s GLY 45 CO 0.00 0.21 0.30 0.30 0.00 0.00 0.00 173.10 173.91 2g64 s HIS 46 N -3.15 -0.15 -0.42 1.90 3.76 -0.62 -4.99 115.29 111.63 2g64 s HIS 46 Ca 0.14 0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 54.98 2g64 s HIS 46 Cb -0.04 0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.76 2g64 s HIS 46 CO 0.06 -0.42 0.80 -0.80 -0.85 0.00 0.00 174.74 173.53 2g64 s ASN 47 N -1.54 6.47 -0.11 1.40 0.01 -1.26 -1.97 114.94 117.94 2g64 s ASN 47 Ca -0.11 0.09 -0.19 0.00 -0.71 0.00 0.00 52.86 51.94 2g64 s ASN 47 Cb -0.04 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2g64 s ASN 47 CO 0.02 -0.86 0.51 -0.31 -1.51 0.00 0.00 177.10 174.95 2g64 s TYR 48 N 3.26 3.52 -0.09 2.20 2.02 0.76 -4.66 117.35 124.36 2g64 s TYR 48 Ca 0.31 0.94 -0.21 0.00 -0.37 0.00 0.00 57.07 57.74 2g64 s TYR 48 Cb -0.12 -2.59 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 2g64 s TYR 48 CO 0.21 0.15 0.58 0.08 -1.57 0.00 0.00 175.55 175.00 2g64 s VAL 49 N 0.69 5.11 -0.21 0.71 1.01 -0.55 -1.23 120.40 125.93 2g64 s VAL 49 Ca 0.28 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 2g64 s VAL 49 Cb -0.15 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 2g64 s VAL 49 CO 0.11 0.30 -0.08 0.86 0.00 0.00 0.00 175.10 176.29 2g64 s TRP 50 N 0.65 2.91 -0.09 5.22 -0.00 0.17 -0.86 118.94 126.95 2g64 s TRP 50 Ca 0.31 -1.06 0.02 0.00 -0.00 0.00 0.00 56.10 55.37 2g64 s TRP 50 Cb -0.16 -2.05 -0.02 0.00 -0.00 0.00 0.00 33.47 31.24 2g64 s TRP 50 CO 0.14 -0.58 -0.15 0.15 -0.00 0.00 0.00 176.95 176.51 2g64 s LYS 51 N 1.37 2.96 -0.23 5.86 1.02 -0.12 -0.99 119.74 129.61 2g64 s LYS 51 Ca 0.05 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2g64 s LYS 51 Cb -0.14 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2g64 s LYS 51 CO -0.05 0.38 -0.09 0.08 -0.92 0.00 0.00 175.35 174.76 2g64 s VAL 52 N -0.10 2.73 -0.15 3.17 1.01 0.04 -1.02 120.40 126.09 2g64 s VAL 52 Ca -0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 2g64 s VAL 52 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2g64 s VAL 52 CO 0.04 0.26 -0.10 -0.75 0.00 0.00 0.00 175.10 174.56 2g64 s LYS 53 N 1.32 3.46 0.16 2.72 2.20 0.35 -0.87 119.74 129.07 2g64 s LYS 53 Ca 0.01 -0.64 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 2g64 s LYS 53 Cb -0.16 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 2g64 s LYS 53 CO -0.06 0.17 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.49 2g64 s LEU 54 N 0.49 2.96 -0.02 5.43 1.43 0.15 -0.69 118.68 128.44 2g64 s LEU 54 Ca -0.07 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2g64 s LEU 54 Cb -0.15 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2g64 s LEU 54 CO 0.04 0.13 0.03 -0.60 0.23 0.00 0.00 176.35 176.18 2g64 s ARG 55 N -2.63 0.00 0.00 1.70 3.52 -0.34 -1.12 118.95 120.08 2g64 s ARG 55 Ca 0.23 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 2g64 s ARG 55 Cb -0.09 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.18 2g64 s ARG 55 CO 0.14 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 2g64 n GLY 56 N 3.64 -0.21 3.77 8.12 0.00 -0.91 -4.63 105.19 114.97 2g64 n GLY 56 Ca -0.20 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2g64 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g64 s GLU 57 N -2.00 4.24 0.12 1.61 2.02 -1.26 -1.83 118.70 121.60 2g64 s GLU 57 Ca 0.00 2.37 -0.31 0.00 0.02 0.00 0.00 54.97 57.05 2g64 s GLU 57 Cb 0.00 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 2g64 s GLU 57 CO 0.00 -0.37 1.39 0.14 0.02 0.00 0.00 175.26 176.44 2g64 s VAL 58 N -0.90 3.26 0.15 2.63 -7.23 -0.40 -4.48 120.40 113.43 2g64 s VAL 58 Ca 0.53 0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 61.31 2g64 s VAL 58 Cb -0.43 -3.59 -0.08 0.00 0.56 0.00 0.00 36.38 32.85 2g64 s VAL 58 CO 0.55 0.08 1.24 -0.62 -0.31 0.00 0.00 175.10 176.04 2g64 s ASP 59 N 1.04 7.02 0.44 4.85 2.15 -0.74 -4.75 116.67 126.68 2g64 s ASP 59 Ca 0.64 2.22 0.22 0.00 0.43 0.00 0.00 52.55 56.06 2g64 s ASP 59 Cb -0.37 -2.60 1.04 0.00 -0.30 0.00 0.00 42.92 40.69 2g64 s ASP 59 CO 0.31 -0.46 1.90 1.55 -0.17 0.00 0.00 175.17 178.30 2g64 h PRO 60 N 5.87 0.00 0.00 4.34 0.13 -1.94 0.60 132.00 141.00 2g64 h PRO 60 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 2g64 h PRO 60 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2g64 h PRO 60 CO 0.78 0.24 -0.99 1.15 -0.23 0.00 0.00 178.00 178.96 2g64 h THR 61 N 0.00 0.88 0.00 1.56 2.02 -1.98 -3.39 112.91 112.00 2g64 h THR 61 Ca -0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2g64 h THR 61 Cb 0.60 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2g64 h THR 61 CO 0.03 0.30 -0.41 0.77 0.37 0.00 0.00 175.52 176.58 2g64 h SER 62 N -1.00 0.00 -0.32 4.18 4.64 -1.98 -3.47 113.55 115.59 2g64 h SER 62 Ca -0.26 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.92 2g64 h SER 62 Cb 1.14 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 2g64 h SER 62 CO -0.16 0.00 -0.12 0.61 -0.87 0.00 0.00 176.83 176.29 2g64 n GLY 63 N 1.15 0.85 3.51 -0.77 0.00 0.20 -4.99 105.19 105.13 2g64 n GLY 63 Ca 0.02 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2g64 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2g64 s MET 64 N -2.20 2.44 0.27 1.61 -1.94 -1.25 -4.71 119.30 113.52 2g64 s MET 64 Ca 0.00 -0.75 0.06 0.00 -1.71 0.00 0.00 55.69 53.29 2g64 s MET 64 Cb 0.00 -2.38 0.38 0.00 2.01 0.00 0.00 34.83 34.83 2g64 s MET 64 CO 0.00 0.61 1.65 0.28 -0.01 0.00 0.00 175.02 177.54 2g64 h VAL 65 N 4.11 1.34 -2.15 -6.03 2.07 -1.90 -1.97 116.25 111.72 2g64 h VAL 65 Ca -0.47 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 2g64 h VAL 65 Cb 1.16 1.81 -0.18 0.00 -1.52 0.00 0.00 31.29 32.56 2g64 h VAL 65 CO 0.51 0.51 0.30 -0.47 0.02 0.00 0.00 177.57 178.43 2g64 s TYR 66 N -3.99 -0.54 -0.33 1.57 5.04 -1.26 -4.89 117.35 112.95 2g64 s TYR 66 Ca -0.04 0.77 -0.29 0.00 -2.44 0.00 0.00 57.07 55.07 2g64 s TYR 66 Cb 0.13 0.46 -0.00 0.00 0.35 0.00 0.00 41.96 42.90 2g64 s TYR 66 CO 0.78 -0.60 1.43 0.34 -1.34 0.00 0.00 175.55 176.16 2g64 s ASP 67 N -1.64 6.45 0.34 4.32 2.15 -1.26 -4.90 116.67 122.13 2g64 s ASP 67 Ca -0.05 1.13 0.03 0.00 0.43 0.00 0.00 52.55 54.10 2g64 s ASP 67 Cb -0.00 -2.54 0.62 0.00 -0.30 0.00 0.00 42.92 40.70 2g64 s ASP 67 CO 0.02 -1.29 1.93 0.25 -0.17 0.00 0.00 175.17 175.91 2g64 h LEU 68 N 11.70 0.58 -0.63 -1.34 5.85 -2.00 -1.08 115.31 128.39 2g64 h LEU 68 Ca -0.28 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2g64 h LEU 68 Cb 1.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2g64 h LEU 68 CO 1.05 0.55 0.42 0.00 -0.34 0.00 0.00 178.44 180.11 2g64 h ALA 69 N 1.54 0.80 -0.31 1.25 0.00 -2.00 0.11 119.26 120.66 2g64 h ALA 69 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2g64 h ALA 69 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2g64 h ALA 69 CO -0.01 0.24 0.05 0.87 0.00 0.00 0.00 179.25 180.40 2g64 h LYS 70 N 0.86 0.51 -0.69 0.00 1.57 -1.81 -2.75 116.57 114.25 2g64 h LYS 70 Ca 0.23 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2g64 h LYS 70 Cb -0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 2g64 h LYS 70 CO -0.05 0.60 0.43 1.25 -0.57 0.00 0.00 179.45 181.11 2g64 h LEU 71 N 0.33 0.72 -0.58 2.94 5.85 -0.93 -1.83 115.31 121.81 2g64 h LEU 71 Ca 0.09 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2g64 h LEU 71 Cb 0.33 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2g64 h LEU 71 CO 0.01 0.50 0.23 0.11 -0.34 0.00 0.00 178.44 178.95 2g64 h LYS 72 N 0.85 0.42 -0.26 1.25 1.57 -0.65 0.21 116.57 119.96 2g64 h LYS 72 Ca 0.27 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2g64 h LYS 72 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2g64 h LYS 72 CO -0.10 0.28 0.15 -0.22 -0.57 0.00 0.00 179.45 178.98 2g64 h LYS 73 N 0.43 0.36 -0.28 3.15 3.11 -1.19 -0.75 116.57 121.40 2g64 h LYS 73 Ca 0.29 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 58.02 2g64 h LYS 73 Cb 0.32 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2g64 h LYS 73 CO -0.27 0.31 -0.08 0.93 -2.81 0.00 0.00 179.45 177.53 2g64 h GLU 74 N 0.31 0.54 -0.72 1.90 5.08 -0.89 -2.30 114.58 118.50 2g64 h GLU 74 Ca 0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2g64 h GLU 74 Cb 0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2g64 h GLU 74 CO -0.02 0.75 0.35 0.52 -1.00 0.00 0.00 179.01 179.61 2g64 h MET 75 N 0.29 1.03 -0.95 2.33 2.86 -0.55 -2.58 114.93 117.37 2g64 h MET 75 Ca 0.07 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2g64 h MET 75 Cb 0.56 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 2g64 h MET 75 CO 0.03 0.80 0.62 0.77 1.06 0.00 0.00 176.91 180.19 2g64 h SER 76 N 1.03 1.04 -0.85 1.22 0.02 -0.91 0.29 113.55 115.39 2g64 h SER 76 Ca 0.25 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2g64 h SER 76 Cb 0.10 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 2g64 h SER 76 CO -0.03 0.72 0.56 -0.07 -1.14 0.00 0.00 176.83 176.87 2g64 h LEU 77 N 1.21 0.95 -0.18 5.07 3.38 -1.02 0.22 115.31 124.94 2g64 h LEU 77 Ca 0.37 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 2g64 h LEU 77 Cb -0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2g64 h LEU 77 CO -0.11 0.68 -0.15 0.58 0.09 0.00 0.00 178.44 179.52 2g64 h VAL 78 N 1.12 1.33 -0.05 1.22 2.07 -1.23 -3.19 116.25 117.52 2g64 h VAL 78 Ca 0.32 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 2g64 h VAL 78 Cb -0.07 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2g64 h VAL 78 CO -0.09 0.39 -0.12 -0.07 0.02 0.00 0.00 177.57 177.70 2g64 h LEU 79 N 0.09 0.07 -1.83 2.57 3.38 -0.50 -1.83 115.31 117.27 2g64 h LEU 79 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2g64 h LEU 79 Cb 0.68 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2g64 h LEU 79 CO 0.04 0.20 0.06 0.44 0.09 0.00 0.00 178.44 179.27 2g64 h ASP 80 N 0.07 0.15 0.91 -0.43 3.32 -0.95 0.17 116.42 119.66 2g64 h ASP 80 Ca 0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2g64 h ASP 80 Cb 0.25 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2g64 h ASP 80 CO 0.02 0.13 -0.10 0.71 -1.72 0.00 0.00 179.24 178.28 2g64 h THR 81 N 0.18 0.28 0.00 0.35 1.35 -1.41 -3.37 112.91 110.28 2g64 h THR 81 Ca 0.05 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2g64 h THR 81 Cb 0.02 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2g64 h THR 81 CO -0.01 0.10 -0.70 1.33 -0.25 0.00 0.00 175.52 175.99 2g64 n VAL 82 N -3.26 0.00 -2.26 6.82 0.24 -0.74 -4.79 118.33 114.34 2g64 n VAL 82 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 2g64 n VAL 82 Cb 0.35 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 2g64 n VAL 82 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2g64 s ASP 83 N -1.73 6.95 -1.35 -1.34 2.15 0.52 -2.55 116.67 119.33 2g64 s ASP 83 Ca 0.00 2.38 -0.06 0.00 0.43 0.00 0.00 52.55 55.31 2g64 s ASP 83 Cb 0.00 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2g64 s ASP 83 CO 0.00 -0.47 0.41 1.41 -0.17 0.00 0.00 175.17 176.35 2g64 n HIS 84 N 2.35 -1.74 -4.58 -5.34 8.25 0.22 -4.93 115.22 109.44 2g64 n HIS 84 Ca 0.05 0.38 -0.27 0.00 -0.26 0.00 0.00 57.72 57.62 2g64 n HIS 84 Cb 0.43 -3.45 -0.11 0.00 1.12 0.00 0.00 29.99 27.98 2g64 n HIS 84 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2g64 s ARG 85 N -5.69 1.89 -0.35 -0.41 0.52 -1.06 -5.01 118.95 108.86 2g64 s ARG 85 Ca 0.28 -2.06 -0.12 0.00 -0.52 0.00 0.00 55.73 53.30 2g64 s ARG 85 Cb -0.14 -1.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 2g64 s ARG 85 CO 0.34 -0.07 0.23 1.21 0.02 0.00 0.00 175.30 177.03 2g64 s ASN 86 N -3.66 5.94 0.16 0.23 3.84 -1.26 -1.11 114.94 119.08 2g64 s ASN 86 Ca 0.35 -0.54 -0.15 0.00 0.21 0.00 0.00 52.86 52.73 2g64 s ASN 86 Cb 0.09 -2.11 0.09 0.00 -0.55 0.00 0.00 41.25 38.78 2g64 s ASN 86 CO 0.17 -0.26 1.75 -0.07 -2.79 0.00 0.00 177.10 175.90 2g64 h LEU 87 N 8.48 0.13 -0.64 3.21 3.38 -1.28 0.26 115.31 128.85 2g64 h LEU 87 Ca -0.31 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 2g64 h LEU 87 Cb 1.15 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2g64 h LEU 87 CO 0.64 0.11 -0.60 0.44 0.09 0.00 0.00 178.44 179.13 2g64 h ASP 88 N 0.29 0.00 0.00 -0.43 3.32 -1.85 -2.80 116.42 114.95 2g64 h ASP 88 Ca 0.19 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.94 2g64 h ASP 88 Cb 0.18 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 2g64 h ASP 88 CO -0.20 0.60 -2.27 0.29 -1.72 0.00 0.00 179.24 175.94 2g64 n LYS 89 N -3.61 0.80 -0.00 3.56 5.02 -1.03 -4.17 118.16 118.73 2g64 n LYS 89 Ca -0.00 -0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.32 2g64 n LYS 89 Cb 0.64 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.05 2g64 n LYS 89 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2g64 n ASP 90 N -2.64 1.10 -4.20 4.39 8.00 0.89 -4.91 116.55 119.18 2g64 n ASP 90 Ca -0.27 -0.39 -0.34 0.00 0.71 0.00 0.00 54.79 54.50 2g64 n ASP 90 Cb 1.04 1.39 -0.14 0.00 -0.02 0.00 0.00 41.12 43.39 2g64 n ASP 90 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2g64 s VAL 91 N -2.79 2.82 0.26 2.53 1.01 -1.06 -5.00 120.40 118.18 2g64 s VAL 91 Ca -0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2g64 s VAL 91 Cb 0.11 -2.39 0.26 0.00 0.00 0.00 0.00 36.38 34.35 2g64 s VAL 91 CO 0.64 0.26 1.85 -0.08 0.00 0.00 0.00 175.10 177.77 2g64 h GLU 92 N 8.01 0.98 -0.95 2.72 4.57 -1.91 -1.65 114.58 126.36 2g64 h GLU 92 Ca -0.35 -0.06 0.17 0.00 -1.18 0.00 0.00 59.36 57.94 2g64 h GLU 92 Cb 1.12 -0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 29.38 2g64 h GLU 92 CO 0.58 0.65 0.54 0.35 -1.18 0.00 0.00 179.01 179.95 2g64 h PHE 93 N 1.01 0.95 -0.00 0.92 3.57 -1.94 -1.36 116.94 120.08 2g64 h PHE 93 Ca 0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.98 2g64 h PHE 93 Cb 0.32 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2g64 h PHE 93 CO -0.02 0.22 -0.05 1.19 -2.23 0.00 0.00 178.31 177.42 2g64 n PHE 94 N -4.81 0.00 0.27 0.41 3.72 -0.62 -2.87 117.46 113.57 2g64 n PHE 94 Ca 0.21 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.74 2g64 n PHE 94 Cb 0.51 -0.22 0.78 0.00 -0.94 0.00 0.00 39.48 39.62 2g64 n PHE 94 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2g64 h LYS 95 N 0.25 0.00 0.00 -1.08 1.57 -1.28 -3.31 116.57 112.71 2g64 h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2g64 h LYS 95 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2g64 h LYS 95 CO 0.00 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 2g64 n THR 96 N -3.84 0.02 -3.99 -0.16 -2.24 -1.15 -4.98 114.28 97.94 2g64 n THR 96 Ca -0.02 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 2g64 n THR 96 Cb 0.17 1.34 -0.16 0.00 -2.10 0.00 0.00 70.33 69.57 2g64 n THR 96 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2g64 s THR 97 N -0.02 0.30 0.43 4.28 2.01 -1.14 -5.06 115.64 116.44 2g64 s THR 97 Ca 0.00 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 2g64 s THR 97 Cb 0.00 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 2g64 s THR 97 CO 0.00 0.18 1.42 0.68 -0.69 0.00 0.00 174.62 176.21 2g64 s VAL 98 N 1.06 2.16 -0.18 3.82 -7.23 -1.26 -4.38 120.40 114.39 2g64 s VAL 98 Ca -0.09 0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.22 2g64 s VAL 98 Cb -0.14 -3.09 0.12 0.00 0.56 0.00 0.00 36.38 33.84 2g64 s VAL 98 CO -0.01 0.02 2.01 -1.54 -0.31 0.00 0.00 175.10 175.27 2g64 n SER 99 N -0.00 5.96 -4.72 4.85 3.41 -1.26 -4.65 113.62 117.21 2g64 n SER 99 Ca 0.04 -2.77 -0.32 0.00 -0.26 0.00 0.00 58.87 55.55 2g64 n SER 99 Cb 0.42 -1.09 0.12 0.00 -0.26 0.00 0.00 64.21 63.39 2g64 n SER 99 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2g64 s THR 100 N -1.27 2.45 0.37 6.66 -4.23 -1.26 -4.77 115.64 113.60 2g64 s THR 100 Ca 0.17 0.18 0.21 0.00 -1.18 0.00 0.00 61.69 61.07 2g64 s THR 100 Cb 0.13 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.65 2g64 s THR 100 CO -0.00 -0.16 1.95 0.28 -0.54 0.00 0.00 174.62 176.15 2g64 h SER 101 N -1.00 0.00 -0.30 3.99 0.02 -1.99 -0.73 113.55 113.54 2g64 h SER 101 Ca -0.45 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2g64 h SER 101 Cb 1.27 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 2g64 h SER 101 CO 0.47 0.22 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.95 2g64 h GLU 102 N 0.00 -0.04 0.00 3.45 3.07 -1.95 -0.19 114.58 118.92 2g64 h GLU 102 Ca -0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2g64 h GLU 102 Cb 0.49 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2g64 h GLU 102 CO 0.03 -0.02 -0.46 -0.91 -1.40 0.00 0.00 179.01 176.25 2g64 h ASN 103 N -0.04 0.00 -0.44 1.42 2.35 -1.46 -2.55 115.58 114.86 2g64 h ASN 103 Ca 0.15 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 2g64 h ASN 103 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2g64 h ASN 103 CO -0.33 0.46 -0.06 0.58 -1.65 0.00 0.00 177.43 176.43 2g64 h VAL 104 N 0.00 1.27 -0.78 2.81 2.07 -0.89 -0.40 116.25 120.32 2g64 h VAL 104 Ca -0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2g64 h VAL 104 Cb 1.09 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2g64 h VAL 104 CO 0.06 0.39 0.49 0.00 0.02 0.00 0.00 177.57 178.53 2g64 h ALA 105 N 0.88 1.00 -0.09 1.67 0.00 -0.74 -0.28 119.26 121.70 2g64 h ALA 105 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2g64 h ALA 105 Cb 0.57 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2g64 h ALA 105 CO 0.03 0.44 0.02 0.82 0.00 0.00 0.00 179.25 180.56 2g64 h ILE 106 N 1.07 1.21 -0.38 0.00 2.04 -1.34 -1.51 117.51 118.60 2g64 h ILE 106 Ca 0.28 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.58 2g64 h ILE 106 Cb -0.07 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 2g64 h ILE 106 CO -0.06 0.18 -0.12 0.22 0.00 0.00 0.00 178.15 178.38 2g64 h TYR 107 N -0.08 -0.26 -0.38 1.37 3.20 -0.69 -0.21 116.97 119.92 2g64 h TYR 107 Ca 0.03 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2g64 h TYR 107 Cb 0.27 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2g64 h TYR 107 CO 0.01 -0.19 -0.17 0.52 -1.64 0.00 0.00 178.16 176.70 2g64 h MET 108 N -0.03 0.79 -0.06 1.82 2.86 -0.96 0.27 114.93 119.63 2g64 h MET 108 Ca 0.19 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2g64 h MET 108 Cb 0.31 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2g64 h MET 108 CO -0.41 0.96 -0.17 0.35 1.06 0.00 0.00 176.91 178.70 2g64 h PHE 109 N 0.59 -0.45 -0.42 -0.22 3.57 -1.07 -0.50 116.94 118.45 2g64 h PHE 109 Ca 0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 2g64 h PHE 109 Cb 0.71 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2g64 h PHE 109 CO 0.06 -0.25 -0.27 0.93 -2.23 0.00 0.00 178.31 176.55 2g64 h GLU 110 N -0.25 0.92 -0.66 1.11 4.39 -0.79 -0.17 114.58 119.13 2g64 h GLU 110 Ca 0.07 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 2g64 h GLU 110 Cb 0.35 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2g64 h GLU 110 CO -0.21 1.09 0.17 -0.22 -1.16 0.00 0.00 179.01 178.68 2g64 h LYS 111 N 0.75 1.05 -0.12 2.33 1.63 -0.91 -1.69 116.57 119.61 2g64 h LYS 111 Ca 0.08 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 2g64 h LYS 111 Cb 0.85 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2g64 h LYS 111 CO 0.07 0.94 0.02 1.25 -3.45 0.00 0.00 179.45 178.28 2g64 h LEU 112 N 0.98 0.18 -1.23 5.20 5.85 -0.96 -2.58 115.31 122.74 2g64 h LEU 112 Ca 0.21 -0.25 0.16 0.00 0.84 0.00 0.00 57.88 58.84 2g64 h LEU 112 Cb 0.35 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2g64 h LEU 112 CO 0.00 0.39 0.60 0.50 -0.34 0.00 0.00 178.44 179.59 2g64 h LYS 113 N -0.03 0.67 0.00 1.25 3.64 -0.85 -0.32 116.57 120.93 2g64 h LYS 113 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2g64 h LYS 113 Cb 0.28 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2g64 h LYS 113 CO 0.00 0.44 -0.03 0.66 -2.27 0.00 0.00 179.45 178.26 2g64 h SER 114 N 0.69 0.00 -0.00 4.20 4.64 -0.91 -3.10 113.55 119.06 2g64 h SER 114 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2g64 h SER 114 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2g64 h SER 114 CO -0.25 0.03 -0.29 0.52 -0.87 0.00 0.00 176.83 175.97 2g64 n VAL 115 N -3.20 0.00 -2.49 0.95 0.31 -0.19 -5.04 118.33 108.67 2g64 n VAL 115 Ca -0.01 -0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 63.56 2g64 n VAL 115 Cb 0.21 1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 34.18 2g64 n VAL 115 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2g64 s MET 116 N -1.55 4.59 0.28 5.55 1.00 -0.84 -4.93 119.30 123.42 2g64 s MET 116 Ca 0.06 1.75 -0.03 0.00 0.00 0.00 0.00 55.69 57.47 2g64 s MET 116 Cb 0.08 -3.26 0.39 0.00 0.00 0.00 0.00 34.83 32.04 2g64 s MET 116 CO 0.30 0.09 1.96 0.66 0.00 0.00 0.00 175.02 178.02 2g64 h SER 117 N 4.87 1.01 -2.74 3.03 4.64 -1.92 -3.35 113.55 119.08 2g64 h SER 117 Ca -0.45 -0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.25 2g64 h SER 117 Cb 1.21 -0.25 -0.39 0.00 -0.31 0.00 0.00 62.40 62.66 2g64 h SER 117 CO 0.72 0.73 -0.82 0.21 -0.87 0.00 0.00 176.83 176.79 2g64 s ASN 118 N -6.23 2.77 0.23 4.97 2.47 -1.26 -4.99 114.94 112.91 2g64 s ASN 118 Ca -0.12 -3.14 0.24 0.00 0.42 0.00 0.00 52.86 50.26 2g64 s ASN 118 Cb 0.18 -0.84 0.93 0.00 -1.45 0.00 0.00 41.25 40.07 2g64 s ASN 118 CO 0.80 -0.17 1.73 -0.81 -3.72 0.00 0.00 177.10 174.92 2g64 n PRO 119 N 2.81 0.20 0.22 0.43 -0.04 -1.26 -3.20 135.00 134.17 2g64 n PRO 119 Ca 0.23 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 2g64 n PRO 119 Cb 0.42 -1.84 0.58 0.00 -0.04 0.00 0.00 33.50 32.62 2g64 n PRO 119 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2g64 h SER 120 N 0.00 0.07 0.55 3.54 4.64 -1.95 -2.02 113.55 118.38 2g64 h SER 120 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g64 h SER 120 Cb 0.47 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2g64 h SER 120 CO 0.00 0.08 -0.03 1.33 -0.87 0.00 0.00 176.83 177.35 2g64 n VAL 121 N -4.49 0.00 -1.99 0.95 0.24 -1.19 -4.85 118.33 106.99 2g64 n VAL 121 Ca -0.02 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 2g64 n VAL 121 Cb 0.12 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 2g64 n VAL 121 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2g64 s LEU 122 N -2.58 4.36 -0.04 1.34 2.96 -0.76 -1.20 118.68 122.75 2g64 s LEU 122 Ca 0.28 2.43 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 2g64 s LEU 122 Cb 0.20 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 2g64 s LEU 122 CO 0.47 -0.84 -0.04 0.00 -1.32 0.00 0.00 176.35 174.62 2g64 n TYR 123 N 5.28 0.00 -3.66 5.38 9.36 0.13 -4.86 117.16 128.78 2g64 n TYR 123 Ca 0.15 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.23 2g64 n TYR 123 Cb 0.41 -0.14 -0.08 0.00 -0.63 0.00 0.00 39.34 38.90 2g64 n TYR 123 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2g64 s LYS 124 N -2.07 0.73 -0.05 2.98 2.20 -0.55 -4.56 119.74 118.42 2g64 s LYS 124 Ca -0.05 0.55 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 2g64 s LYS 124 Cb 0.02 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2g64 s LYS 124 CO 0.08 -0.14 -0.15 0.08 -0.36 0.00 0.00 175.35 174.86 2g64 s VAL 125 N -0.21 3.00 -0.05 4.02 1.01 -0.33 -0.50 120.40 127.35 2g64 s VAL 125 Ca -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2g64 s VAL 125 Cb -0.03 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2g64 s VAL 125 CO 0.03 0.59 -0.20 -0.89 0.00 0.00 0.00 175.10 174.63 2g64 s THR 126 N -0.69 2.51 -0.13 3.92 2.01 -0.19 -1.29 115.64 121.77 2g64 s THR 126 Ca 0.11 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2g64 s THR 126 Cb -0.11 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.47 2g64 s THR 126 CO 0.01 0.57 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.68 2g64 s ILE 127 N -0.40 1.91 -0.39 1.82 -1.09 0.70 -0.94 121.20 122.80 2g64 s ILE 127 Ca 0.04 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 2g64 s ILE 127 Cb -0.12 -1.70 0.04 0.00 -1.58 0.00 0.00 42.46 39.10 2g64 s ILE 127 CO 0.02 0.52 0.24 -1.61 -1.23 0.00 0.00 174.94 172.88 2g64 s GLU 128 N 0.87 2.81 0.13 2.79 2.02 -0.04 -0.43 118.70 126.85 2g64 s GLU 128 Ca -0.07 -1.16 -0.12 0.00 0.02 0.00 0.00 54.97 53.64 2g64 s GLU 128 Cb -0.15 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2g64 s GLU 128 CO -0.02 -0.77 1.49 1.49 0.02 0.00 0.00 175.26 177.47 2g64 h GLU 129 N 8.47 0.86 -4.71 1.61 4.81 -1.59 -1.46 114.58 122.57 2g64 h GLU 129 Ca -0.25 -0.40 -0.32 0.00 -0.13 0.00 0.00 59.36 58.25 2g64 h GLU 129 Cb 1.10 -0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 2g64 h GLU 129 CO 0.70 1.04 -0.58 0.95 -0.73 0.00 0.00 179.01 180.40 2g64 s THR 130 N -4.55 0.02 -0.21 0.32 -4.23 -1.23 -4.50 115.64 101.27 2g64 s THR 130 Ca -0.12 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.57 2g64 s THR 130 Cb 0.11 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.63 2g64 s THR 130 CO 0.85 0.00 1.54 -2.65 -0.54 0.00 0.00 174.62 173.82 2g64 n PRO 131 N -0.40 0.12 -0.00 3.99 -0.02 -1.26 -2.24 135.00 135.19 2g64 n PRO 131 Ca 0.04 0.61 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 2g64 n PRO 131 Cb 0.65 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 2g64 n PRO 131 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2g64 n LYS 132 N -2.16 1.83 -3.84 -0.52 5.02 -1.26 -4.89 118.16 112.34 2g64 n LYS 132 Ca -0.01 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2g64 n LYS 132 Cb 0.09 -1.23 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 2g64 n LYS 132 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2g64 s ASN 133 N -2.53 3.65 -0.05 4.39 0.01 -0.95 -5.11 114.94 114.35 2g64 s ASN 133 Ca 0.05 -1.20 0.04 0.00 -0.71 0.00 0.00 52.86 51.04 2g64 s ASN 133 Cb 0.12 -0.97 -0.00 0.00 0.41 0.00 0.00 41.25 40.81 2g64 s ASN 133 CO 0.63 -0.30 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.12 2g64 s ILE 134 N 1.55 1.48 0.02 0.60 1.01 -1.26 -1.58 121.20 123.02 2g64 s ILE 134 Ca -0.01 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2g64 s ILE 134 Cb -0.18 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2g64 s ILE 134 CO -0.10 0.43 -0.18 -0.36 0.00 0.00 0.00 174.94 174.72 2g64 s PHE 135 N 0.14 1.59 0.08 3.97 0.08 0.43 -5.00 117.98 119.27 2g64 s PHE 135 Ca -0.07 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.67 2g64 s PHE 135 Cb -0.13 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 2g64 s PHE 135 CO 0.03 0.03 -0.07 0.95 -0.10 0.00 0.00 175.22 176.06 2g64 s THR 136 N -0.65 0.67 -0.13 0.64 -4.23 -1.26 -0.22 115.64 110.47 2g64 s THR 136 Ca 0.06 -1.59 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 2g64 s THR 136 Cb -0.08 -1.25 0.04 0.00 1.34 0.00 0.00 72.50 72.55 2g64 s THR 136 CO 0.01 -0.65 0.33 -0.47 -0.54 0.00 0.00 174.62 173.29 2g64 s TYR 137 N -2.66 -0.41 -0.31 3.99 5.04 -0.41 -5.00 117.35 117.59 2g64 s TYR 137 Ca 0.03 0.96 0.05 0.00 -2.44 0.00 0.00 57.07 55.67 2g64 s TYR 137 Cb -0.01 0.14 0.13 0.00 0.35 0.00 0.00 41.96 42.56 2g64 s TYR 137 CO -0.02 -0.23 1.10 1.63 -1.34 0.00 0.00 175.55 176.69 2g64 n LYS 138 N 3.52 2.88 0.00 4.97 5.02 -1.26 -1.18 118.16 132.10 2g64 n LYS 138 Ca -0.18 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 2g64 n LYS 138 Cb 0.56 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2g64 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2g64 n GLY 139 N -0.22 -2.12 0.00 0.72 0.00 -1.26 -4.88 105.19 97.43 2g64 n GLY 139 Ca 0.05 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.50 2g64 n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76