#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g65 n SER 16 N 0.00 0.00 -3.29 9.48 2.88 -1.26 -3.72 113.62 117.71 3g65 n SER 16 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 3g65 n SER 16 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3g65 n SER 16 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3g65 s LEU 17 N 0.00 -0.83 -0.04 2.46 2.96 -1.14 -1.99 118.68 120.10 3g65 s LEU 17 Ca 0.00 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3g65 s LEU 17 Cb 0.00 1.79 0.00 0.00 0.50 0.00 0.00 46.19 48.49 3g65 s LEU 17 CO 0.00 -0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.06 3g65 s VAL 18 N 2.77 1.10 -0.30 1.68 1.01 -0.48 -2.30 120.40 123.89 3g65 s VAL 18 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3g65 s VAL 18 Cb -0.11 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.42 3g65 s VAL 18 CO -0.17 0.33 0.20 0.00 0.00 0.00 0.00 175.10 175.46 3g65 s ALA 19 N 0.27 0.25 0.44 5.51 0.00 -0.68 -1.00 121.76 126.55 3g65 s ALA 19 Ca -0.06 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 3g65 s ALA 19 Cb -0.12 -1.55 -0.08 0.00 0.00 0.00 0.00 23.12 21.37 3g65 s ALA 19 CO 0.02 -1.71 0.89 0.45 0.00 0.00 0.00 175.76 175.41 3g65 s SER 20 N 2.11 6.69 -0.27 0.00 0.15 0.50 -1.91 113.70 120.97 3g65 s SER 20 Ca 0.10 1.45 -0.10 0.00 0.70 0.00 0.00 55.95 58.10 3g65 s SER 20 Cb -0.16 -2.45 0.11 0.00 -1.71 0.00 0.00 66.02 61.81 3g65 s SER 20 CO -0.33 -0.44 0.59 -0.22 1.20 0.00 0.00 173.24 174.05 3g65 s LEU 21 N -3.66 -0.93 0.45 3.45 2.96 0.10 -2.43 118.68 118.62 3g65 s LEU 21 Ca 0.57 1.39 0.26 0.00 -0.22 0.00 0.00 54.13 56.14 3g65 s LEU 21 Cb -0.10 2.05 0.66 0.00 0.50 0.00 0.00 46.19 49.30 3g65 s LEU 21 CO 0.25 -0.22 1.72 0.44 -1.32 0.00 0.00 176.35 177.22 3g65 h ASP 22 N 7.79 0.00 -3.08 3.68 5.19 -1.85 0.17 116.42 128.32 3g65 h ASP 22 Ca -0.21 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.62 3g65 h ASP 22 Cb 1.13 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.24 3g65 h ASP 22 CO 0.13 0.00 -0.77 0.21 -3.12 0.00 0.00 179.24 175.69 3g65 s ASN 23 N -5.94 3.70 0.42 6.45 2.47 -1.26 -4.21 114.94 116.57 3g65 s ASN 23 Ca 0.06 -1.89 0.19 0.00 0.42 0.00 0.00 52.86 51.64 3g65 s ASN 23 Cb 0.07 -0.75 1.13 0.00 -1.45 0.00 0.00 41.25 40.24 3g65 s ASN 23 CO 0.63 -0.37 1.82 0.58 -3.72 0.00 0.00 177.10 176.03 3g65 h VAL 24 N 5.97 0.60 -0.27 -5.21 2.07 -1.68 -0.01 116.25 117.71 3g65 h VAL 24 Ca -0.09 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3g65 h VAL 24 Cb 0.99 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3g65 h VAL 24 CO 0.44 0.07 0.25 0.03 0.02 0.00 0.00 177.57 178.37 3g65 h ARG 25 N 0.37 0.00 0.00 1.57 3.08 -1.95 0.42 114.38 117.88 3g65 h ARG 25 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 3g65 h ARG 25 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3g65 h ARG 25 CO -0.21 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.78 3g65 n ASN 26 N -3.99 0.55 -0.03 7.04 4.13 -0.02 -1.60 115.26 121.34 3g65 n ASN 26 Ca 0.04 0.74 -0.05 0.00 1.68 0.00 0.00 54.58 56.98 3g65 n ASN 26 Cb 0.40 -0.81 -0.02 0.00 -1.54 0.00 0.00 39.78 37.80 3g65 n ASN 26 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3g65 n LEU 27 N -2.22 1.72 0.03 3.41 7.94 0.13 -4.66 117.00 123.35 3g65 n LEU 27 Ca -0.01 0.02 -0.05 0.00 -1.11 0.00 0.00 56.01 54.86 3g65 n LEU 27 Cb 0.06 -0.17 0.15 0.00 0.53 0.00 0.00 43.42 43.99 3g65 n LEU 27 CO 0.11 0.36 0.62 0.77 -1.11 0.00 0.00 177.39 178.14 3g65 h SER 28 N -0.10 0.47 -0.05 1.96 4.64 -1.04 -2.86 113.55 116.57 3g65 h SER 28 Ca -0.13 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3g65 h SER 28 Cb 1.15 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3g65 h SER 28 CO -0.05 0.82 -0.01 0.74 -0.87 0.00 0.00 176.83 177.46 3g65 h THR 29 N 0.37 1.27 -0.15 2.95 2.02 -1.53 -2.53 112.91 115.32 3g65 h THR 29 Ca 0.04 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 3g65 h THR 29 Cb 0.85 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3g65 h THR 29 CO 0.07 0.23 -0.29 -0.29 0.37 0.00 0.00 175.52 175.61 3g65 h ILE 30 N -0.23 1.26 -0.67 3.11 2.10 -1.74 -2.70 117.51 118.64 3g65 h ILE 30 Ca 0.01 -1.23 -0.07 0.00 1.08 0.00 0.00 64.86 64.66 3g65 h ILE 30 Cb 0.37 1.47 -0.03 0.00 -1.09 0.00 0.00 36.82 37.54 3g65 h ILE 30 CO 0.00 0.38 0.16 -0.07 -1.08 0.00 0.00 178.15 177.54 3g65 h LEU 31 N 0.24 1.00 -2.15 2.19 3.38 -1.45 -2.75 115.31 115.78 3g65 h LEU 31 Ca 0.04 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3g65 h LEU 31 Cb 0.64 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3g65 h LEU 31 CO 0.05 0.97 0.19 0.11 0.09 0.00 0.00 178.44 179.85 3g65 h LYS 32 N 1.01 0.00 0.00 1.13 1.57 -1.10 0.23 116.57 119.41 3g65 h LYS 32 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3g65 h LYS 32 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3g65 h LYS 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3g65 n ALA 33 N -2.44 2.19 -0.06 3.86 0.00 -1.04 -2.62 120.51 120.41 3g65 n ALA 33 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.38 3g65 n ALA 33 Cb 0.33 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.43 3g65 n ALA 33 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3g65 n ILE 34 N -1.41 0.97 -2.61 0.00 2.08 0.78 -4.08 119.36 115.10 3g65 n ILE 34 Ca 0.09 -0.99 -0.43 0.00 0.56 0.00 0.00 62.75 61.98 3g65 n ILE 34 Cb 0.25 0.52 0.01 0.00 -0.75 0.00 0.00 39.64 39.66 3g65 n ILE 34 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 3g65 n HIS 35 N -0.12 3.02 -0.14 1.39 -0.00 -1.03 -4.44 115.22 113.91 3g65 n HIS 35 Ca 0.04 -2.83 0.02 0.00 0.46 0.00 0.00 57.72 55.42 3g65 n HIS 35 Cb 0.31 -1.77 0.05 0.00 -0.12 0.00 0.00 29.99 28.45 3g65 n HIS 35 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 3g65 n PHE 36 N 3.28 0.11 -3.88 1.57 1.16 -1.26 -5.02 117.46 113.43 3g65 n PHE 36 Ca 0.35 -0.55 -0.10 0.00 -1.87 0.00 0.00 57.45 55.28 3g65 n PHE 36 Cb 0.36 -0.06 -0.09 0.00 -1.61 0.00 0.00 39.48 38.08 3g65 n PHE 36 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3g65 s ARG 37 N -1.19 0.65 0.22 3.97 1.81 -1.26 -5.05 118.95 118.10 3g65 s ARG 37 Ca 0.08 -0.67 -0.07 0.00 -1.72 0.00 0.00 55.73 53.34 3g65 s ARG 37 Cb 0.05 0.27 0.17 0.00 -0.45 0.00 0.00 34.95 34.98 3g65 s ARG 37 CO 0.03 -0.18 1.77 1.49 -0.68 0.00 0.00 175.30 177.73 3g65 h GLU 38 N 3.54 1.17 -5.72 3.54 4.57 -1.97 -3.42 114.58 116.29 3g65 h GLU 38 Ca -0.32 -0.23 -0.61 0.00 -1.18 0.00 0.00 59.36 57.02 3g65 h GLU 38 Cb 1.19 -0.18 -0.11 0.00 -0.16 0.00 0.00 28.75 29.49 3g65 h GLU 38 CO 0.49 0.97 -0.53 -1.01 -1.18 0.00 0.00 179.01 177.74 3g65 s HIS 39 N -5.48 2.44 0.10 0.92 3.76 -1.26 -0.29 115.29 115.47 3g65 s HIS 39 Ca -0.12 -0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 53.87 3g65 s HIS 39 Cb 0.16 -1.84 0.06 0.00 1.11 0.00 0.00 32.58 32.07 3g65 s HIS 39 CO 0.84 0.27 0.59 0.00 -0.85 0.00 0.00 174.74 175.59 3g65 s ALA 40 N -2.69 -1.54 -0.16 -1.40 0.00 0.47 -4.66 121.76 111.78 3g65 s ALA 40 Ca 0.34 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 3g65 s ALA 40 Cb 0.06 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3g65 s ALA 40 CO 0.18 -0.65 0.03 0.99 0.00 0.00 0.00 175.76 176.31 3g65 s THR 41 N -3.09 4.50 -0.13 0.00 2.01 -0.38 -0.66 115.64 117.90 3g65 s THR 41 Ca -0.02 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 3g65 s THR 41 Cb -0.01 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 3g65 s THR 41 CO -0.07 0.49 0.05 0.00 -0.69 0.00 0.00 174.62 174.40 3g65 s PHE 43 N -0.45 1.02 -0.13 0.00 2.19 0.36 -2.17 117.98 118.79 3g65 s PHE 43 Ca 0.09 -1.07 0.00 0.00 0.33 0.00 0.00 56.93 56.29 3g65 s PHE 43 Cb -0.12 -1.17 -0.01 0.00 -1.31 0.00 0.00 43.02 40.41 3g65 s PHE 43 CO 0.02 -0.72 -0.14 0.00 1.83 0.00 0.00 175.22 176.21 3g65 s ALA 44 N 1.86 2.56 0.00 11.12 0.00 -0.54 -0.09 121.76 136.66 3g65 s ALA 44 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3g65 s ALA 44 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3g65 s ALA 44 CO -0.18 0.21 0.00 0.25 0.00 0.00 0.00 175.76 176.03 3g65 n THR 45 N 3.62 0.00 0.16 0.00 -2.24 0.01 -1.97 114.28 113.85 3g65 n THR 45 Ca -0.18 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.65 3g65 n THR 45 Cb 0.53 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 3g65 n THR 45 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3g65 h LYS 46 N 0.00 0.00 -0.01 -0.78 1.57 -1.93 -3.27 116.57 112.15 3g65 h LYS 46 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3g65 h LYS 46 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3g65 h LYS 46 CO 0.00 0.36 -0.82 -0.91 -0.57 0.00 0.00 179.45 177.51 3g65 h ASN 47 N 0.00 0.26 0.00 0.86 2.35 -1.98 -3.44 115.58 113.63 3g65 h ASN 47 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3g65 h ASN 47 Cb 1.29 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3g65 h ASN 47 CO 0.05 0.97 0.00 0.61 -1.65 0.00 0.00 177.43 177.41 3g65 n GLY 48 N 0.76 -0.10 3.62 2.83 0.00 -1.23 0.57 105.19 111.64 3g65 n GLY 48 Ca -0.03 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 3g65 n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g65 s ILE 49 N -3.73 3.53 -0.21 -0.61 1.01 -0.75 -0.81 121.20 119.62 3g65 s ILE 49 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.20 3g65 s ILE 49 Cb 0.00 -2.73 0.08 0.00 0.01 0.00 0.00 42.46 39.82 3g65 s ILE 49 CO 0.00 -0.03 0.14 -0.75 0.00 0.00 0.00 174.94 174.30 3g65 s LYS 50 N -2.67 0.13 -0.20 2.79 2.20 0.87 -1.31 119.74 121.55 3g65 s LYS 50 Ca 0.25 -0.11 -0.10 0.00 -0.36 0.00 0.00 55.97 55.65 3g65 s LYS 50 Cb -0.10 -1.50 -0.05 0.00 -1.51 0.00 0.00 37.83 34.68 3g65 s LYS 50 CO 0.16 -0.75 0.13 0.08 -0.36 0.00 0.00 175.35 174.61 3g65 s VAL 51 N 2.19 5.41 -0.04 4.02 1.01 -0.35 -0.49 120.40 132.15 3g65 s VAL 51 Ca 0.05 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3g65 s VAL 51 Cb -0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3g65 s VAL 51 CO -0.16 0.45 -0.19 0.28 0.00 0.00 0.00 175.10 175.47 3g65 s THR 52 N 0.30 1.55 -0.07 3.92 -1.32 0.20 -0.80 115.64 119.41 3g65 s THR 52 Ca 0.08 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 3g65 s THR 52 Cb -0.11 -1.32 0.01 0.00 -1.51 0.00 0.00 72.50 69.57 3g65 s THR 52 CO -0.02 0.44 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.03 3g65 s VAL 53 N -0.09 1.11 0.09 5.08 1.01 -0.31 -1.25 120.40 126.04 3g65 s VAL 53 Ca -0.02 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3g65 s VAL 53 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3g65 s VAL 53 CO 0.02 0.35 -0.10 -1.83 0.00 0.00 0.00 175.10 173.54 3g65 s GLU 54 N 0.74 0.83 -0.05 2.72 -1.05 -1.26 0.46 118.70 121.08 3g65 s GLU 54 Ca -0.13 -1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 53.49 3g65 s GLU 54 Cb -0.16 -0.50 0.01 0.00 -0.44 0.00 0.00 34.13 33.05 3g65 s GLU 54 CO 0.03 0.07 0.14 1.21 0.95 0.00 0.00 175.26 177.67 3g65 s ASN 55 N -2.44 -0.15 0.00 0.83 2.47 -0.04 -4.85 114.94 110.76 3g65 s ASN 55 Ca 0.05 0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.62 3g65 s ASN 55 Cb -0.03 0.29 0.00 0.00 -1.45 0.00 0.00 41.25 40.07 3g65 s ASN 55 CO -0.00 -0.05 0.00 0.00 -3.72 0.00 0.00 177.10 173.33 3g65 n ALA 56 N 3.01 0.00 -3.07 1.71 0.00 -1.26 -1.88 120.51 119.02 3g65 n ALA 56 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3g65 n ALA 56 Cb 0.59 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3g65 n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g65 n LYS 57 N 0.97 -3.29 0.00 0.00 4.76 -1.26 -4.73 118.16 114.61 3g65 n LYS 57 Ca 0.00 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 3g65 n LYS 57 Cb 0.49 -5.26 0.00 0.00 -1.84 0.00 0.00 35.03 28.42 3g65 n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g65 s VAL 59 N -0.29 0.34 -0.10 0.00 1.01 -0.86 -0.57 120.40 119.93 3g65 s VAL 59 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 3g65 s VAL 59 Cb 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 36.38 36.12 3g65 s VAL 59 CO 0.00 0.11 0.22 -1.58 0.00 0.00 0.00 175.10 173.85 3g65 s GLN 60 N 0.05 0.16 -0.18 2.72 0.74 -0.58 -0.87 119.66 121.70 3g65 s GLN 60 Ca -0.00 0.54 -0.04 0.00 0.05 0.00 0.00 55.36 55.90 3g65 s GLN 60 Cb -0.03 -0.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.92 3g65 s GLN 60 CO -0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 175.29 174.52 3g65 s ALA 61 N 1.52 3.01 -0.16 1.58 0.00 0.17 -0.26 121.76 127.62 3g65 s ALA 61 Ca -0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3g65 s ALA 61 Cb -0.11 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 3g65 s ALA 61 CO -0.08 -0.01 -0.10 -0.80 0.00 0.00 0.00 175.76 174.77 3g65 s ASN 62 N 0.76 4.10 -0.19 0.00 0.01 0.20 -1.16 114.94 118.65 3g65 s ASN 62 Ca -0.01 -0.35 -0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3g65 s ASN 62 Cb -0.14 -1.65 0.00 0.00 0.41 0.00 0.00 41.25 39.87 3g65 s ASN 62 CO 0.02 0.10 -0.13 0.00 -1.51 0.00 0.00 177.10 175.59 3g65 s ALA 63 N 0.74 2.57 -0.10 0.60 0.00 0.02 -0.61 121.76 124.98 3g65 s ALA 63 Ca -0.05 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3g65 s ALA 63 Cb -0.15 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 3g65 s ALA 63 CO 0.02 -0.29 -0.12 0.12 0.00 0.00 0.00 175.76 175.49 3g65 s PHE 64 N 1.22 2.80 -0.36 0.00 5.36 -1.03 -1.21 117.98 124.75 3g65 s PHE 64 Ca 0.02 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 3g65 s PHE 64 Cb -0.14 -1.76 0.12 0.00 -0.34 0.00 0.00 43.02 40.89 3g65 s PHE 64 CO -0.06 -0.01 0.16 0.42 -1.46 0.00 0.00 175.22 174.27 3g65 s ILE 65 N -0.14 0.99 0.54 3.12 1.01 -0.43 -3.92 121.20 122.38 3g65 s ILE 65 Ca -0.00 -1.84 -0.22 0.00 0.00 0.00 0.00 60.65 58.58 3g65 s ILE 65 Cb -0.13 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3g65 s ILE 65 CO 0.03 -0.79 1.37 0.00 0.00 0.00 0.00 174.94 175.56 3g65 s GLN 66 N 1.11 3.15 0.06 2.79 0.00 -1.26 -1.81 119.66 123.71 3g65 s GLN 66 Ca 0.13 2.27 0.04 0.00 -0.00 0.00 0.00 55.36 57.80 3g65 s GLN 66 Cb -0.20 -2.28 0.22 0.00 0.00 0.00 0.00 33.01 30.74 3g65 s GLN 66 CO -0.13 -1.19 1.09 0.00 0.00 0.00 0.00 175.29 175.06 3g65 n ALA 67 N -0.99 0.93 0.05 2.60 0.00 0.19 -1.67 120.51 121.62 3g65 n ALA 67 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3g65 n ALA 67 Cb 0.45 -0.98 0.31 0.00 0.00 0.00 0.00 19.45 19.22 3g65 n ALA 67 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g65 h GLY 68 N 0.00 0.44 0.91 0.00 0.00 -1.88 -3.07 103.07 99.46 3g65 h GLY 68 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3g65 h GLY 68 CO 0.00 0.26 0.07 -2.22 0.00 0.00 0.00 176.54 174.65 3g65 h ILE 69 N 0.38 1.23 -4.19 2.60 5.03 -1.67 -3.45 117.51 117.44 3g65 h ILE 69 Ca 0.07 -0.81 -0.53 0.00 -0.12 0.00 0.00 64.86 63.48 3g65 h ILE 69 Cb 0.43 1.09 0.15 0.00 -3.03 0.00 0.00 36.82 35.46 3g65 h ILE 69 CO 0.02 0.27 0.38 -0.36 -0.68 0.00 0.00 178.15 177.78 3g65 s PHE 70 N -5.22 2.11 -2.13 1.37 0.40 -1.16 -4.92 117.98 108.43 3g65 s PHE 70 Ca -0.13 1.60 0.26 0.00 -0.60 0.00 0.00 56.93 58.07 3g65 s PHE 70 Cb 0.09 -3.41 0.74 0.00 0.51 0.00 0.00 43.02 40.94 3g65 s PHE 70 CO 0.76 -2.48 1.56 1.04 0.70 0.00 0.00 175.22 176.80 3g65 n GLN 71 N -2.79 1.26 -2.96 0.44 1.13 -1.02 -4.71 117.38 108.75 3g65 n GLN 71 Ca 0.13 -0.81 0.03 0.00 -1.94 0.00 0.00 57.00 54.41 3g65 n GLN 71 Cb 0.51 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.38 3g65 n GLN 71 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3g65 s GLU 72 N -2.29 0.21 0.04 -1.09 2.12 -1.22 -4.92 118.70 111.55 3g65 s GLU 72 Ca 0.29 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.66 3g65 s GLU 72 Cb 0.20 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 3g65 s GLU 72 CO 0.45 -0.34 0.04 0.12 -0.54 0.00 0.00 175.26 174.99 3g65 s PHE 73 N 2.37 3.13 -0.30 5.30 5.36 -1.26 -0.37 117.98 132.21 3g65 s PHE 73 Ca 0.20 0.08 -0.10 0.00 -0.96 0.00 0.00 56.93 56.15 3g65 s PHE 73 Cb 0.00 -1.64 0.14 0.00 -0.34 0.00 0.00 43.02 41.19 3g65 s PHE 73 CO -0.18 0.50 0.69 0.21 -1.46 0.00 0.00 175.22 174.98 3g65 s LYS 74 N -2.02 0.54 -0.10 10.12 2.20 -0.17 -4.99 119.74 125.32 3g65 s LYS 74 Ca 0.25 1.32 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 3g65 s LYS 74 Cb -0.12 0.79 0.00 0.00 -1.51 0.00 0.00 37.83 37.00 3g65 s LYS 74 CO 0.16 -0.23 -0.23 0.54 -0.36 0.00 0.00 175.35 175.23 3g65 s VAL 75 N 2.85 2.01 0.04 4.02 0.11 -1.26 -1.38 120.40 126.78 3g65 s VAL 75 Ca -0.03 -0.99 -0.21 0.00 -2.93 0.00 0.00 61.98 57.83 3g65 s VAL 75 Cb -0.12 -1.75 -0.06 0.00 -1.53 0.00 0.00 36.38 32.92 3g65 s VAL 75 CO -0.19 0.55 0.61 -1.58 -3.33 0.00 0.00 175.10 171.16 3g65 s GLN 76 N 0.43 4.30 6.11 1.54 0.74 -0.84 -4.92 119.66 127.01 3g65 s GLN 76 Ca -0.17 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.02 3g65 s GLN 76 Cb -0.18 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.64 3g65 s GLN 76 CO 0.07 0.48 0.00 -1.91 -0.55 0.00 0.00 175.29 173.38 3g65 n GLU 77 N 2.26 0.00 0.00 1.67 2.13 -1.26 -4.68 120.64 120.76 3g65 n GLU 77 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3g65 n GLU 77 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 3g65 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3g65 n GLU 78 N 14.00 3.02 -3.13 5.31 1.02 -1.26 -5.01 120.64 134.59 3g65 n GLU 78 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 3g65 n GLU 78 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 3g65 n GLU 78 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3g65 s SER 79 N -1.00 7.10 -0.12 1.62 0.15 -1.26 -4.91 113.70 115.27 3g65 s SER 79 Ca 0.00 1.30 -0.02 0.00 0.70 0.00 0.00 55.95 57.93 3g65 s SER 79 Cb 0.00 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 3g65 s SER 79 CO 0.00 0.11 -0.04 0.54 1.20 0.00 0.00 173.24 175.05 3g65 s VAL 80 N -0.38 3.91 0.09 4.45 0.11 -0.83 -5.00 120.40 122.74 3g65 s VAL 80 Ca 0.33 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 3g65 s VAL 80 Cb -0.20 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 3g65 s VAL 80 CO 0.20 0.54 -0.11 0.42 -3.33 0.00 0.00 175.10 172.82 3g65 s THR 81 N -0.15 0.95 -0.29 5.04 -4.23 -1.26 -1.47 115.64 114.23 3g65 s THR 81 Ca 0.03 -1.52 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 3g65 s THR 81 Cb -0.13 -1.23 0.16 0.00 1.34 0.00 0.00 72.50 72.63 3g65 s THR 81 CO 0.02 -0.47 1.07 0.72 -0.54 0.00 0.00 174.62 175.43 3g65 s PHE 82 N -2.09 -0.43 0.34 3.99 -0.12 -0.92 -4.99 117.98 113.76 3g65 s PHE 82 Ca 0.03 0.90 -0.15 0.00 -0.05 0.00 0.00 56.93 57.66 3g65 s PHE 82 Cb -0.05 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.56 3g65 s PHE 82 CO 0.01 -0.21 0.76 0.50 -0.05 0.00 0.00 175.22 176.22 3g65 s ARG 83 N 0.97 4.00 0.19 1.99 3.52 -1.26 -1.32 118.95 127.04 3g65 s ARG 83 Ca -0.05 0.69 -0.20 0.00 -0.13 0.00 0.00 55.73 56.04 3g65 s ARG 83 Cb -0.04 -2.40 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3g65 s ARG 83 CO -0.12 0.12 0.58 -1.50 -0.81 0.00 0.00 175.30 173.56 3g65 s ILE 84 N -2.05 0.02 -0.36 4.11 2.07 0.17 -2.15 121.20 123.00 3g65 s ILE 84 Ca 0.55 -0.55 -0.29 0.00 -1.41 0.00 0.00 60.65 58.94 3g65 s ILE 84 Cb -0.10 -1.44 0.01 0.00 0.13 0.00 0.00 42.46 41.06 3g65 s ILE 84 CO 0.19 -0.07 1.22 0.21 -1.91 0.00 0.00 174.94 174.58 3g65 s ASN 85 N -2.84 6.68 0.13 4.50 3.84 -1.26 -0.39 114.94 125.60 3g65 s ASN 85 Ca 0.06 0.93 -0.11 0.00 0.21 0.00 0.00 52.86 53.96 3g65 s ASN 85 Cb -0.02 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 38.06 3g65 s ASN 85 CO -0.05 -1.12 1.41 0.25 -2.79 0.00 0.00 177.10 174.79 3g65 h LEU 86 N 10.95 0.97 0.23 3.21 5.85 -0.92 -2.45 115.31 133.15 3g65 h LEU 86 Ca -0.24 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 57.96 3g65 h LEU 86 Cb 1.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3g65 h LEU 86 CO 1.06 1.32 -0.25 0.74 -0.34 0.00 0.00 178.44 180.98 3g65 h THR 87 N 0.67 0.47 -0.65 1.05 2.02 -1.79 -0.10 112.91 114.57 3g65 h THR 87 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.23 3g65 h THR 87 Cb 1.16 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3g65 h THR 87 CO 0.12 0.00 0.38 0.58 0.37 0.00 0.00 175.52 176.98 3g65 h VAL 88 N -0.52 1.03 -0.10 3.16 2.07 -1.86 -1.10 116.25 118.93 3g65 h VAL 88 Ca 0.00 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3g65 h VAL 88 Cb 0.49 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3g65 h VAL 88 CO -0.07 0.13 -0.06 0.25 0.02 0.00 0.00 177.57 177.85 3g65 h LEU 89 N 0.73 -0.19 -0.92 2.57 5.85 -1.09 -0.88 115.31 121.38 3g65 h LEU 89 Ca 0.28 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3g65 h LEU 89 Cb 0.10 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3g65 h LEU 89 CO -0.14 -0.08 0.36 -0.07 -0.34 0.00 0.00 178.44 178.17 3g65 h LEU 90 N -0.06 1.04 -1.03 2.25 3.38 -0.72 -1.44 115.31 118.73 3g65 h LEU 90 Ca 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3g65 h LEU 90 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3g65 h LEU 90 CO -0.14 0.89 0.30 0.44 0.09 0.00 0.00 178.44 180.02 3g65 h ASP 91 N 1.13 0.90 -0.27 -0.43 3.32 -0.82 -2.10 116.42 118.14 3g65 h ASP 91 Ca 0.27 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3g65 h ASP 91 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3g65 h ASP 91 CO -0.03 0.79 -0.20 0.00 -1.72 0.00 0.00 179.24 178.08 3g65 h LEU 93 N 0.34 -0.06 -3.68 0.00 3.38 -1.09 -2.77 115.31 111.42 3g65 h LEU 93 Ca 0.05 -0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.58 3g65 h LEU 93 Cb 0.74 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.33 3g65 h LEU 93 CO 0.05 -0.01 0.53 -1.54 0.09 0.00 0.00 178.44 177.56 3g65 n SER 94 N -5.11 6.76 0.07 -0.43 3.41 -0.81 -4.50 113.62 113.03 3g65 n SER 94 Ca -0.08 -3.25 -0.08 0.00 -0.26 0.00 0.00 58.87 55.21 3g65 n SER 94 Cb 0.07 -1.05 0.06 0.00 -0.26 0.00 0.00 64.21 63.02 3g65 n SER 94 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3g65 h ILE 95 N 1.08 1.41 -0.14 -1.33 2.10 -1.27 -3.11 117.51 116.26 3g65 h ILE 95 Ca 0.37 -2.21 -0.08 0.00 1.08 0.00 0.00 64.86 64.02 3g65 h ILE 95 Cb 0.86 2.17 -0.04 0.00 -1.09 0.00 0.00 36.82 38.72 3g65 h ILE 95 CO 0.96 0.65 0.10 0.49 -1.08 0.00 0.00 178.15 179.28 3g65 n PHE 96 N -3.80 0.44 -0.06 2.19 3.72 -1.26 -4.94 117.46 113.74 3g65 n PHE 96 Ca -0.03 -0.88 0.00 0.00 -0.05 0.00 0.00 57.45 56.49 3g65 n PHE 96 Cb 0.70 -0.44 -0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3g65 n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g65 n GLY 97 N 0.55 -2.74 1.78 1.37 0.00 -1.17 -4.77 105.19 100.20 3g65 n GLY 97 Ca 0.08 -1.37 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 3g65 n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3g65 n SER 98 N -1.85 4.54 -2.71 1.61 7.64 -1.26 -4.64 113.62 116.95 3g65 n SER 98 Ca -0.00 -3.77 -0.10 0.00 1.01 0.00 0.00 58.87 56.00 3g65 n SER 98 Cb 0.02 -0.65 0.02 0.00 -1.01 0.00 0.00 64.21 62.60 3g65 n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3g65 n SER 99 N -0.96 1.45 -4.74 6.43 2.88 -1.26 -5.11 113.62 112.31 3g65 n SER 99 Ca 0.45 -2.76 -0.41 0.00 -1.33 0.00 0.00 58.87 54.83 3g65 n SER 99 Cb 0.97 -0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 3g65 n SER 99 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3g65 s PRO 100 N -3.06 4.65 0.37 -1.46 0.02 -1.26 -5.04 135.00 129.22 3g65 s PRO 100 Ca 0.29 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 62.93 3g65 s PRO 100 Cb 0.45 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.65 3g65 s PRO 100 CO 0.02 0.18 0.69 -1.64 -0.33 0.00 0.00 177.00 175.92 3g65 s MET 101 N -0.75 3.70 -0.63 5.54 -1.94 -1.26 -4.95 119.30 119.01 3g65 s MET 101 Ca 0.47 0.27 -0.33 0.00 -1.71 0.00 0.00 55.69 54.38 3g65 s MET 101 Cb -0.29 -2.48 -0.15 0.00 2.01 0.00 0.00 34.83 33.91 3g65 s MET 101 CO 0.36 0.04 2.41 -2.30 -0.01 0.00 0.00 175.02 175.52 3g65 n PRO 102 N -1.28 0.52 0.00 2.03 -0.02 -1.26 -1.72 135.00 133.28 3g65 n PRO 102 Ca 0.01 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3g65 n PRO 102 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3g65 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g65 n GLY 103 N 6.57 4.27 3.77 -1.23 0.00 -1.26 -5.12 105.19 112.19 3g65 n GLY 103 Ca 0.51 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3g65 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g65 s THR 104 N 0.00 5.17 0.04 2.61 -4.23 -0.70 -5.08 115.64 113.45 3g65 s THR 104 Ca 0.00 0.78 0.02 0.00 -1.18 0.00 0.00 61.69 61.32 3g65 s THR 104 Cb 0.00 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 3g65 s THR 104 CO 0.00 0.45 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.69 3g65 s LEU 105 N -0.11 2.26 -0.18 4.79 1.43 -1.26 -4.70 118.68 120.91 3g65 s LEU 105 Ca 0.22 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3g65 s LEU 105 Cb -0.15 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 3g65 s LEU 105 CO 0.10 -0.20 -0.01 0.42 0.23 0.00 0.00 176.35 176.89 3g65 s THR 106 N -1.40 4.04 0.36 5.49 -4.23 -1.26 -4.64 115.64 114.00 3g65 s THR 106 Ca -0.09 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 3g65 s THR 106 Cb -0.10 -2.80 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 3g65 s THR 106 CO 0.00 0.46 0.77 0.00 -0.54 0.00 0.00 174.62 175.31 3g65 s ALA 107 N 0.63 3.30 -0.01 3.99 0.00 -0.65 -2.34 121.76 126.68 3g65 s ALA 107 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3g65 s ALA 107 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3g65 s ALA 107 CO 0.02 0.20 -0.05 -1.17 0.00 0.00 0.00 175.76 174.76 3g65 s LEU 108 N -3.28 1.87 -0.22 0.00 2.96 0.60 -2.32 118.68 118.29 3g65 s LEU 108 Ca 0.54 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3g65 s LEU 108 Cb -0.10 -0.33 0.06 0.00 0.50 0.00 0.00 46.19 46.33 3g65 s LEU 108 CO 0.21 0.05 0.02 -0.13 -1.32 0.00 0.00 176.35 175.18 3g65 s ARG 109 N 0.07 0.90 -0.12 1.98 0.52 0.06 -0.72 118.95 121.63 3g65 s ARG 109 Ca -0.00 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.46 3g65 s ARG 109 Cb -0.05 -2.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 3g65 s ARG 109 CO -0.00 -0.67 0.24 1.41 0.02 0.00 0.00 175.30 176.30 3g65 s MET 110 N 1.72 3.91 -0.04 3.54 1.75 -0.80 -1.59 119.30 127.79 3g65 s MET 110 Ca -0.01 0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.45 3g65 s MET 110 Cb -0.18 -3.31 0.03 0.00 2.84 0.00 0.00 34.83 34.22 3g65 s MET 110 CO -0.09 0.51 0.08 0.00 -0.65 0.00 0.00 175.02 174.86 3g65 s TYR 112 N 1.00 -0.01 -1.11 0.00 5.04 -0.97 0.02 117.35 121.32 3g65 s TYR 112 Ca -0.08 0.26 -0.07 0.00 -2.44 0.00 0.00 57.07 54.74 3g65 s TYR 112 Cb -0.11 -0.28 0.29 0.00 0.35 0.00 0.00 41.96 42.21 3g65 s TYR 112 CO -0.04 -0.14 1.35 1.04 -1.34 0.00 0.00 175.55 176.42 3g65 n GLN 113 N 4.56 4.04 0.00 4.97 6.02 -1.24 -2.89 117.38 132.84 3g65 n GLN 113 Ca -0.20 -4.46 0.00 0.00 -0.01 0.00 0.00 57.00 52.34 3g65 n GLN 113 Cb 0.50 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 29.20 3g65 n GLN 113 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g65 n GLY 114 N 2.00 0.65 3.43 1.08 0.00 -1.26 -4.31 105.19 106.78 3g65 n GLY 114 Ca 0.26 0.68 -0.15 0.00 0.00 0.00 0.00 46.02 46.81 3g65 n GLY 114 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g65 s TYR 115 N 0.00 -0.53 0.00 1.61 6.14 -1.26 -4.84 117.35 118.48 3g65 s TYR 115 Ca 0.00 1.10 0.00 0.00 0.64 0.00 0.00 57.07 58.81 3g65 s TYR 115 Cb 0.00 0.25 0.00 0.00 0.42 0.00 0.00 41.96 42.63 3g65 s TYR 115 CO 0.00 -0.41 0.00 0.41 0.64 0.00 0.00 175.55 176.19 3g65 n GLY 116 N 1.85 2.38 3.79 8.97 0.00 -1.26 -5.00 105.19 115.92 3g65 n GLY 116 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3g65 n GLY 116 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g65 s TYR 117 N -3.04 3.29 0.55 1.61 2.02 -1.26 -5.01 117.35 115.50 3g65 s TYR 117 Ca 0.00 0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 3g65 s TYR 117 Cb 0.00 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.77 3g65 s TYR 117 CO 0.00 0.55 1.03 -2.14 -1.57 0.00 0.00 175.55 173.42 3g65 s PRO 118 N -1.86 3.62 -0.02 -1.71 0.02 -1.26 -4.32 135.00 129.47 3g65 s PRO 118 Ca 0.24 1.15 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 3g65 s PRO 118 Cb -0.12 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 3g65 s PRO 118 CO 0.16 -0.55 1.22 -1.17 -0.33 0.00 0.00 177.00 176.32 3g65 s LEU 119 N -4.16 4.31 -0.16 -5.54 2.96 0.13 -4.59 118.68 111.62 3g65 s LEU 119 Ca 0.63 1.90 -0.08 0.00 -0.22 0.00 0.00 54.13 56.35 3g65 s LEU 119 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3g65 s LEU 119 CO 0.32 -0.57 0.12 -0.04 -1.32 0.00 0.00 176.35 174.85 3g65 s MET 120 N 1.96 3.78 -0.05 1.98 -1.94 0.10 -1.86 119.30 123.28 3g65 s MET 120 Ca 0.57 -0.21 0.04 0.00 -1.71 0.00 0.00 55.69 54.39 3g65 s MET 120 Cb -0.27 -3.27 -0.00 0.00 2.01 0.00 0.00 34.83 33.31 3g65 s MET 120 CO 0.24 0.52 -0.18 -0.51 -0.01 0.00 0.00 175.02 175.08 3g65 s LEU 121 N -0.29 1.93 -0.24 -0.03 1.43 -0.98 -1.32 118.68 119.17 3g65 s LEU 121 Ca 0.11 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3g65 s LEU 121 Cb -0.12 -1.04 0.07 0.00 0.03 0.00 0.00 46.19 45.14 3g65 s LEU 121 CO 0.01 0.16 0.01 -0.36 0.23 0.00 0.00 176.35 176.40 3g65 s PHE 122 N 0.07 1.94 0.16 0.29 0.08 -0.62 -1.52 117.98 118.38 3g65 s PHE 122 Ca -0.05 -1.56 0.10 0.00 0.12 0.00 0.00 56.93 55.54 3g65 s PHE 122 Cb -0.12 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3g65 s PHE 122 CO 0.03 -0.76 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.68 3g65 s LEU 123 N 1.54 2.60 -0.18 -0.37 1.43 -0.70 -0.76 118.68 122.25 3g65 s LEU 123 Ca -0.00 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 3g65 s LEU 123 Cb -0.18 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.70 3g65 s LEU 123 CO -0.10 0.14 0.49 -0.70 0.23 0.00 0.00 176.35 176.41 3g65 s GLU 124 N -2.44 0.57 -0.14 1.70 -6.30 -0.98 -0.52 118.70 110.59 3g65 s GLU 124 Ca 0.20 0.68 -0.06 0.00 -2.50 0.00 0.00 54.97 53.28 3g65 s GLU 124 Cb -0.09 0.27 0.06 0.00 0.00 0.00 0.00 34.13 34.38 3g65 s GLU 124 CO 0.10 -0.07 0.31 -2.00 0.02 0.00 0.00 175.26 173.62 3g65 s GLU 125 N 0.27 0.23 -1.84 4.30 2.12 -0.03 -1.64 118.70 122.11 3g65 s GLU 125 Ca -0.00 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3g65 s GLU 125 Cb -0.03 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.37 3g65 s GLU 125 CO 0.01 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 3g65 n GLY 126 N 4.91 0.37 0.07 -1.50 0.00 -1.26 -1.22 105.19 106.56 3g65 n GLY 126 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3g65 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g65 n GLY 127 N -0.76 3.41 3.65 -0.02 0.00 -1.26 -5.03 105.19 105.17 3g65 n GLY 127 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3g65 n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g65 s VAL 128 N -2.96 4.24 -0.07 1.61 1.01 -0.36 -5.01 120.40 118.86 3g65 s VAL 128 Ca 0.00 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.44 3g65 s VAL 128 Cb 0.00 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3g65 s VAL 128 CO 0.00 -0.30 -0.08 -0.69 0.00 0.00 0.00 175.10 174.03 3g65 s VAL 129 N 3.90 3.63 0.01 2.92 1.01 -1.26 -0.85 120.40 129.76 3g65 s VAL 129 Ca 0.55 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3g65 s VAL 129 Cb -0.19 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3g65 s VAL 129 CO 0.18 0.59 -0.16 0.28 0.00 0.00 0.00 175.10 175.99 3g65 s THR 130 N -0.70 1.29 -0.14 3.92 -1.32 0.32 -4.99 115.64 114.02 3g65 s THR 130 Ca 0.11 -0.85 0.01 0.00 -1.21 0.00 0.00 61.69 59.75 3g65 s THR 130 Cb -0.11 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.79 3g65 s THR 130 CO 0.02 0.24 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.80 3g65 s VAL 131 N -0.57 1.76 0.08 5.08 1.01 -1.26 -1.71 120.40 124.79 3g65 s VAL 131 Ca 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3g65 s VAL 131 Cb -0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3g65 s VAL 131 CO 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.55 3g65 s LYS 133 N -2.08 1.07 -0.32 0.00 1.02 -1.26 -2.31 119.74 115.86 3g65 s LYS 133 Ca 0.22 -1.87 -0.14 0.00 0.02 0.00 0.00 55.97 54.21 3g65 s LYS 133 Cb -0.11 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3g65 s LYS 133 CO 0.14 -1.20 0.31 0.42 -0.92 0.00 0.00 175.35 174.10 3g65 s ILE 134 N 0.46 5.21 0.26 2.17 1.01 -0.78 -4.92 121.20 124.61 3g65 s ILE 134 Ca 0.20 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3g65 s ILE 134 Cb -0.20 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 3g65 s ILE 134 CO -0.02 0.00 1.34 0.20 0.00 0.00 0.00 174.94 176.46 3g65 s ASN 135 N 1.72 6.80 0.08 3.58 -0.87 -1.26 0.19 114.94 125.18 3g65 s ASN 135 Ca 0.10 2.56 -0.24 0.00 -1.57 0.00 0.00 52.86 53.72 3g65 s ASN 135 Cb -0.17 -2.63 -0.06 0.00 -0.02 0.00 0.00 41.25 38.37 3g65 s ASN 135 CO 0.11 -0.57 0.72 0.42 -2.57 0.00 0.00 177.10 175.21 3g65 s THR 136 N -0.35 4.64 -0.24 1.60 -4.23 -1.26 -4.78 115.64 111.02 3g65 s THR 136 Ca 0.55 1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 62.56 3g65 s THR 136 Cb -0.39 -4.07 0.08 0.00 1.34 0.00 0.00 72.50 69.47 3g65 s THR 136 CO 0.44 0.45 0.09 0.00 -0.54 0.00 0.00 174.62 175.06 3g65 s GLN 137 N -0.57 0.38 -0.73 3.99 -2.07 -0.91 -4.96 119.66 114.80 3g65 s GLN 137 Ca 0.35 -0.51 0.03 0.00 -1.82 0.00 0.00 55.36 53.41 3g65 s GLN 137 Cb -0.21 -1.70 0.18 0.00 -1.09 0.00 0.00 33.01 30.18 3g65 s GLN 137 CO 0.23 -0.84 0.53 -2.00 -1.32 0.00 0.00 175.29 171.88 3g65 s GLU 138 N 1.95 2.59 0.06 9.60 2.12 -1.26 -4.07 118.70 129.70 3g65 s GLU 138 Ca 0.05 -3.27 -0.05 0.00 0.36 0.00 0.00 54.97 52.06 3g65 s GLU 138 Cb -0.17 -3.53 -0.29 0.00 0.26 0.00 0.00 34.13 30.41 3g65 s GLU 138 CO -0.21 -1.27 1.10 -1.35 -0.54 0.00 0.00 175.26 172.99 3g65 h PRO 139 N 5.62 0.29 0.00 4.30 0.11 -1.98 -3.48 132.00 136.86 3g65 h PRO 139 Ca 0.13 -0.50 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3g65 h PRO 139 Cb 0.78 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3g65 h PRO 139 CO 0.74 1.23 0.00 -1.91 -0.21 0.00 0.00 178.00 177.85 3g65 n GLU 140 N -3.54 0.00 -2.77 1.05 2.13 -1.26 -4.96 120.64 111.29 3g65 n GLU 140 Ca -0.10 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.67 3g65 n GLU 140 Cb 1.03 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.75 3g65 n GLU 140 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3g65 n GLU 141 N 10.23 -2.71 -4.50 5.31 2.13 -1.26 -5.03 120.64 124.81 3g65 n GLU 141 Ca 0.00 2.32 -0.33 0.00 0.66 0.00 0.00 57.16 59.81 3g65 n GLU 141 Cb 0.00 -5.47 -0.16 0.00 0.27 0.00 0.00 31.44 26.08 3g65 n GLU 141 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3g65 s THR 142 N -2.22 2.26 0.70 6.31 -1.32 -1.26 -5.12 115.64 114.99 3g65 s THR 142 Ca 0.16 -0.90 -0.15 0.00 -1.21 0.00 0.00 61.69 59.58 3g65 s THR 142 Cb -0.04 -1.93 0.02 0.00 -1.51 0.00 0.00 72.50 69.04 3g65 s THR 142 CO 0.75 0.53 1.17 -0.76 -2.21 0.00 0.00 174.62 174.11 3g65 s LEU 143 N 0.94 3.35 -0.33 9.08 1.02 -1.26 -5.02 118.68 126.46 3g65 s LEU 143 Ca -0.04 2.22 0.00 0.00 0.02 0.00 0.00 54.13 56.33 3g65 s LEU 143 Cb -0.15 -4.57 0.08 0.00 0.02 0.00 0.00 46.19 41.56 3g65 s LEU 143 CO -0.04 -2.02 0.03 -0.62 0.02 0.00 0.00 176.35 173.73 3g65 s ASP 144 N -2.23 4.86 -0.30 2.29 -1.08 -1.26 -5.07 116.67 113.87 3g65 s ASP 144 Ca 0.71 -1.66 -0.29 0.00 -0.52 0.00 0.00 52.55 50.79 3g65 s ASP 144 Cb -0.26 -1.69 -0.01 0.00 -1.46 0.00 0.00 42.92 39.51 3g65 s ASP 144 CO 0.44 -0.34 1.48 -0.36 0.52 0.00 0.00 175.17 176.91 3g65 s PHE 145 N 1.12 2.33 0.00 -5.34 0.40 -1.26 -4.88 117.98 110.35 3g65 s PHE 145 Ca 0.01 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 3g65 s PHE 145 Cb -0.20 -4.05 0.00 0.00 0.51 0.00 0.00 43.02 39.28 3g65 s PHE 145 CO -0.04 -2.32 1.31 -0.25 0.70 0.00 0.00 175.22 174.62 3g65 n ASP 146 N 8.45 3.65 -4.55 1.36 8.00 -1.26 -4.83 116.55 127.37 3g65 n ASP 146 Ca 0.17 -2.00 -0.36 0.00 0.71 0.00 0.00 54.79 53.32 3g65 n ASP 146 Cb 0.46 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 3g65 n ASP 146 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3g65 s PHE 147 N 0.17 1.76 0.18 1.24 2.19 -1.26 -4.96 117.98 117.30 3g65 s PHE 147 Ca 0.00 0.65 0.05 0.00 0.33 0.00 0.00 56.93 57.95 3g65 s PHE 147 Cb 0.00 -4.13 -0.04 0.00 -1.31 0.00 0.00 43.02 37.55 3g65 s PHE 147 CO 0.00 -2.14 0.23 0.00 1.83 0.00 0.00 175.22 175.14 3g65 h SER 149 N 1.99 0.00 0.04 0.00 4.64 -2.00 -3.27 113.55 114.95 3g65 h SER 149 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3g65 h SER 149 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3g65 h SER 149 CO 0.64 0.40 -0.05 0.71 -0.87 0.00 0.00 176.83 177.67 3g65 h THR 150 N 0.00 1.04 -1.44 2.95 1.35 -1.99 -2.83 112.91 111.98 3g65 h THR 150 Ca -0.00 -0.18 -0.63 0.00 -0.55 0.00 0.00 66.41 65.05 3g65 h THR 150 Cb 1.23 1.08 -0.38 0.00 -1.73 0.00 0.00 68.15 68.35 3g65 h THR 150 CO 0.05 0.05 -0.27 -0.46 -0.25 0.00 0.00 175.52 174.64 3g65 n ASN 151 N -4.48 5.53 -4.69 5.36 0.23 -1.23 -5.01 115.26 110.97 3g65 n ASN 151 Ca -0.03 -3.75 -0.35 0.00 -0.53 0.00 0.00 54.58 49.91 3g65 n ASN 151 Cb 0.13 -0.60 -0.09 0.00 -2.08 0.00 0.00 39.78 37.15 3g65 n ASN 151 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3g65 s VAL 152 N -5.23 5.29 -0.11 3.53 1.01 -1.07 -1.29 120.40 122.53 3g65 s VAL 152 Ca 0.51 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 3g65 s VAL 152 Cb 0.42 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3g65 s VAL 152 CO -0.18 0.41 -0.10 0.40 0.00 0.00 0.00 175.10 175.62 3g65 h ILE 153 N 4.84 0.00 -3.49 2.22 2.04 -1.51 -3.48 117.51 118.13 3g65 h ILE 153 Ca -0.39 -0.88 -0.67 0.00 1.00 0.00 0.00 64.86 63.92 3g65 h ILE 153 Cb 1.16 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 37.05 3g65 h ILE 153 CO 0.71 0.00 -0.81 0.20 0.00 0.00 0.00 178.15 178.25 3g65 s ASN 154 N -5.38 3.66 -0.15 1.72 0.01 -1.18 -3.91 114.94 109.71 3g65 s ASN 154 Ca -0.08 -0.71 -0.08 0.00 -0.71 0.00 0.00 52.86 51.28 3g65 s ASN 154 Cb 0.01 -0.40 0.05 0.00 0.41 0.00 0.00 41.25 41.33 3g65 s ASN 154 CO 0.12 0.15 0.35 -0.75 -1.51 0.00 0.00 177.10 175.46 3g65 s LYS 155 N -2.40 0.32 -0.00 -0.60 2.20 -0.80 -2.35 119.74 116.11 3g65 s LYS 155 Ca 0.19 0.69 0.02 0.00 -0.36 0.00 0.00 55.97 56.50 3g65 s LYS 155 Cb -0.09 -0.06 -0.00 0.00 -1.51 0.00 0.00 37.83 36.17 3g65 s LYS 155 CO 0.10 -0.16 -0.05 0.42 -0.36 0.00 0.00 175.35 175.30 3g65 s ILE 156 N 1.33 0.39 -0.36 5.43 1.01 -0.27 -0.77 121.20 127.96 3g65 s ILE 156 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3g65 s ILE 156 Cb -0.09 -0.33 0.11 0.00 0.01 0.00 0.00 42.46 42.16 3g65 s ILE 156 CO -0.11 0.11 0.13 -0.63 0.00 0.00 0.00 174.94 174.44 3g65 s ILE 157 N -0.08 1.47 0.42 2.92 1.01 -0.91 -0.72 121.20 125.30 3g65 s ILE 157 Ca 0.02 -2.05 0.07 0.00 0.00 0.00 0.00 60.65 58.69 3g65 s ILE 157 Cb -0.02 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3g65 s ILE 157 CO -0.00 -0.72 0.23 -1.48 0.00 0.00 0.00 174.94 172.96 3g65 s LEU 158 N 1.00 3.17 0.65 2.97 0.05 -1.18 -1.22 118.68 124.11 3g65 s LEU 158 Ca 0.13 -1.01 -0.14 0.00 0.05 0.00 0.00 54.13 53.16 3g65 s LEU 158 Cb -0.20 -1.57 -0.01 0.00 -2.05 0.00 0.00 46.19 42.36 3g65 s LEU 158 CO -0.13 -0.58 1.06 -1.10 -0.55 0.00 0.00 176.35 175.06 3g65 s GLN 159 N -3.96 3.08 0.20 1.48 -0.21 -0.85 -2.77 119.66 116.63 3g65 s GLN 159 Ca 0.43 1.12 0.13 0.00 0.02 0.00 0.00 55.36 57.05 3g65 s GLN 159 Cb 0.02 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 3g65 s GLN 159 CO 0.24 -1.00 1.31 0.77 -2.12 0.00 0.00 175.29 174.49 3g65 h SER 160 N -0.11 0.00 -0.67 5.90 0.02 -1.79 -3.32 113.55 113.58 3g65 h SER 160 Ca -0.45 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 3g65 h SER 160 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3g65 h SER 160 CO 0.57 0.67 0.26 -0.33 -1.14 0.00 0.00 176.83 176.86 3g65 h GLU 161 N 0.00 1.00 -0.13 3.45 5.08 -1.89 -2.80 114.58 119.29 3g65 h GLU 161 Ca -0.03 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3g65 h GLU 161 Cb 1.54 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3g65 h GLU 161 CO 0.08 0.84 -0.13 0.78 -1.00 0.00 0.00 179.01 179.58 3g65 h GLY 162 N 0.94 0.21 1.55 -3.84 0.00 -1.97 -2.28 103.07 97.69 3g65 h GLY 162 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3g65 h GLY 162 CO -0.02 0.12 -0.17 1.04 0.00 0.00 0.00 176.54 177.51 3g65 n LEU 163 N -4.29 0.21 0.32 3.11 4.77 -1.08 -4.09 117.00 115.95 3g65 n LEU 163 Ca -0.01 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 56.09 3g65 n LEU 163 Cb 0.26 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 3g65 n LEU 163 CO 0.38 0.05 0.53 0.03 -1.33 0.00 0.00 177.39 177.04 3g65 h ARG 164 N 0.06 -0.91 0.00 3.23 3.08 -1.17 -1.84 114.38 116.83 3g65 h ARG 164 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3g65 h ARG 164 Cb 0.48 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3g65 h ARG 164 CO 0.00 -0.61 0.00 0.93 -1.07 0.00 0.00 179.97 179.22 3g65 h GLU 165 N -0.95 0.00 0.00 0.04 5.08 -1.74 -2.36 114.58 114.66 3g65 h GLU 165 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3g65 h GLU 165 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3g65 h GLU 165 CO 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 3g65 n ALA 166 N -1.95 -0.16 -0.37 3.43 0.00 -0.76 -3.11 120.51 117.59 3g65 n ALA 166 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3g65 n ALA 166 Cb 0.15 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.74 3g65 n ALA 166 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3g65 h PHE 167 N 0.00 1.24 0.09 0.00 0.04 -1.41 -2.12 116.94 114.78 3g65 h PHE 167 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3g65 h PHE 167 Cb 0.00 -0.42 -0.01 0.00 2.20 0.00 0.00 35.95 37.72 3g65 h PHE 167 CO 0.08 0.74 -0.16 0.77 -0.60 0.00 0.00 178.31 179.14 3g65 h SER 168 N 1.30 -0.46 -0.05 2.17 0.02 -1.57 -2.09 113.55 112.86 3g65 h SER 168 Ca 0.39 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3g65 h SER 168 Cb -0.06 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3g65 h SER 168 CO -0.11 -0.19 0.00 -0.62 -1.14 0.00 0.00 176.83 174.78 3g65 n GLU 169 N -3.31 1.27 0.03 3.45 -0.58 -1.18 -3.85 120.64 116.48 3g65 n GLU 169 Ca -0.03 -0.26 -0.20 0.00 -0.42 0.00 0.00 57.16 56.25 3g65 n GLU 169 Cb 0.13 -1.39 -0.14 0.00 -0.57 0.00 0.00 31.44 29.47 3g65 n GLU 169 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3g65 h LEU 170 N 0.35 0.42 -9.07 -4.62 5.85 -0.66 -3.46 115.31 104.12 3g65 h LEU 170 Ca 0.00 -0.93 -0.81 0.00 0.84 0.00 0.00 57.88 56.98 3g65 h LEU 170 Cb 0.44 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 41.36 3g65 h LEU 170 CO 0.03 1.41 0.63 -0.67 -0.34 0.00 0.00 178.44 179.50 3g65 n ASP 171 N -4.12 1.39 -2.05 1.25 2.03 -1.24 -4.94 116.55 108.87 3g65 n ASP 171 Ca -0.16 1.15 -0.09 0.00 0.52 0.00 0.00 54.79 56.20 3g65 n ASP 171 Cb 0.81 -0.99 -0.04 0.00 -0.72 0.00 0.00 41.12 40.19 3g65 n ASP 171 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3g65 n MET 172 N 3.85 0.19 0.00 -0.67 2.81 -1.26 -4.99 117.12 117.05 3g65 n MET 172 Ca 0.27 -1.56 0.08 0.00 -1.81 0.00 0.00 57.70 54.67 3g65 n MET 172 Cb 0.04 1.29 0.45 0.00 -0.71 0.00 0.00 33.22 34.28 3g65 n MET 172 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3g65 n THR 173 N -0.30 0.00 -2.49 2.03 -2.24 -1.26 -4.76 114.28 105.27 3g65 n THR 173 Ca 0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3g65 n THR 173 Cb 0.28 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 3g65 n THR 173 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g65 s SER 174 N -1.66 7.08 -0.06 3.42 0.15 -1.26 -4.61 113.70 116.76 3g65 s SER 174 Ca 0.23 1.79 0.02 0.00 0.70 0.00 0.00 55.95 58.69 3g65 s SER 174 Cb 0.10 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 3g65 s SER 174 CO 0.17 -0.56 0.92 -0.62 1.20 0.00 0.00 173.24 174.35 3g65 n GLU 175 N 5.11 1.61 -3.54 5.44 1.02 -1.26 -4.73 120.64 124.28 3g65 n GLU 175 Ca 0.11 -0.64 -0.07 0.00 -0.02 0.00 0.00 57.16 56.53 3g65 n GLU 175 Cb 0.47 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 3g65 n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g65 s VAL 176 N -1.11 0.00 -0.21 2.62 0.11 -1.26 -4.08 120.40 116.47 3g65 s VAL 176 Ca 0.11 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3g65 s VAL 176 Cb 0.09 -1.11 0.06 0.00 -1.53 0.00 0.00 36.38 33.90 3g65 s VAL 176 CO 0.03 0.00 0.00 -0.22 -3.33 0.00 0.00 175.10 171.58 3g65 s LEU 177 N -2.50 1.75 -0.27 2.54 2.96 0.59 -4.49 118.68 119.26 3g65 s LEU 177 Ca 0.06 -0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 52.71 3g65 s LEU 177 Cb -0.01 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.86 3g65 s LEU 177 CO -0.08 -0.28 0.97 -1.58 -1.32 0.00 0.00 176.35 174.06 3g65 s GLN 178 N 1.67 4.15 -0.23 1.98 0.74 0.22 -2.54 119.66 125.65 3g65 s GLN 178 Ca -0.02 1.08 -0.06 0.00 0.05 0.00 0.00 55.36 56.41 3g65 s GLN 178 Cb -0.18 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 3g65 s GLN 178 CO -0.08 -0.69 0.03 0.42 -0.55 0.00 0.00 175.29 174.42 3g65 s ILE 179 N 3.21 4.01 -0.14 -2.34 1.01 0.55 -0.70 121.20 126.80 3g65 s ILE 179 Ca 0.41 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3g65 s ILE 179 Cb -0.14 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.50 3g65 s ILE 179 CO 0.10 0.38 -0.14 0.28 0.00 0.00 0.00 174.94 175.55 3g65 s THR 180 N 1.48 1.52 -0.11 2.92 -1.32 -0.62 -1.68 115.64 117.83 3g65 s THR 180 Ca 0.05 -0.61 0.02 0.00 -1.21 0.00 0.00 61.69 59.94 3g65 s THR 180 Cb -0.15 -1.42 -0.01 0.00 -1.51 0.00 0.00 72.50 69.41 3g65 s THR 180 CO 0.01 0.45 -0.17 -0.04 -2.21 0.00 0.00 174.62 172.66 3g65 s MET 181 N 1.38 3.17 -0.06 7.08 -1.94 -0.91 -1.29 119.30 126.74 3g65 s MET 181 Ca 0.02 -0.75 -0.23 0.00 -1.71 0.00 0.00 55.69 53.02 3g65 s MET 181 Cb -0.13 -2.49 0.05 0.00 2.01 0.00 0.00 34.83 34.27 3g65 s MET 181 CO -0.08 0.25 0.52 0.45 -0.01 0.00 0.00 175.02 176.15 3g65 s SER 182 N 0.22 -0.47 0.00 3.03 0.15 -0.97 -1.00 113.70 114.66 3g65 s SER 182 Ca -0.11 0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.33 3g65 s SER 182 Cb -0.16 0.54 1.23 0.00 -1.71 0.00 0.00 66.02 65.92 3g65 s SER 182 CO 0.06 -0.49 1.85 -2.65 1.20 0.00 0.00 173.24 173.21 3g65 n PRO 183 N 1.31 0.25 -4.11 5.44 -0.02 -1.26 -3.91 135.00 132.71 3g65 n PRO 183 Ca -0.19 0.05 -0.22 0.00 -2.02 0.00 0.00 63.50 61.12 3g65 n PRO 183 Cb 0.56 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.50 3g65 n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g65 s ASP 184 N -2.70 5.35 0.00 2.55 1.01 -1.26 -4.95 116.67 116.67 3g65 s ASP 184 Ca 0.21 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.13 3g65 s ASP 184 Cb 0.17 -1.27 0.00 0.00 1.01 0.00 0.00 42.92 42.83 3g65 s ASP 184 CO 0.41 -0.07 0.00 0.29 0.21 0.00 0.00 175.17 176.01 3g65 n LYS 185 N -1.16 0.00 -2.23 8.23 5.02 -1.26 -3.17 118.16 123.59 3g65 n LYS 185 Ca -0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 3g65 n LYS 185 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.56 3g65 n LYS 185 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3g65 s PRO 186 N 0.00 2.87 0.20 1.97 0.02 -1.26 -4.80 135.00 134.00 3g65 s PRO 186 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 61.00 60.98 3g65 s PRO 186 Cb 0.00 -4.59 0.15 0.00 0.02 0.00 0.00 34.50 30.08 3g65 s PRO 186 CO 0.00 -2.66 1.57 1.88 -0.33 0.00 0.00 177.00 177.47 3g65 h TYR 187 N 12.35 0.81 -0.97 6.54 0.05 -1.66 -3.26 116.97 130.83 3g65 h TYR 187 Ca -0.14 -0.23 0.05 0.00 0.05 0.00 0.00 58.73 58.47 3g65 h TYR 187 Cb 1.08 -0.18 -0.21 0.00 1.01 0.00 0.00 36.73 38.44 3g65 h TYR 187 CO 1.13 0.95 -0.34 0.12 -1.05 0.00 0.00 178.16 178.98 3g65 s PHE 188 N -4.34 -1.75 -0.10 4.88 5.36 -1.24 -2.29 117.98 118.50 3g65 s PHE 188 Ca -0.09 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.12 3g65 s PHE 188 Cb 0.12 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.17 3g65 s PHE 188 CO 0.84 -1.00 -0.21 0.50 -1.46 0.00 0.00 175.22 173.88 3g65 s ARG 189 N 2.84 2.78 -0.18 10.12 3.52 -0.41 -0.47 118.95 137.15 3g65 s ARG 189 Ca 0.13 -0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 54.87 3g65 s ARG 189 Cb -0.11 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 3g65 s ARG 189 CO -0.25 0.11 0.08 -0.51 -0.81 0.00 0.00 175.30 173.92 3g65 s LEU 190 N 0.51 3.91 0.06 -0.88 1.43 0.44 -1.59 118.68 122.56 3g65 s LEU 190 Ca -0.16 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3g65 s LEU 190 Cb -0.17 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3g65 s LEU 190 CO 0.06 0.18 -0.11 -0.44 0.23 0.00 0.00 176.35 176.27 3g65 s SER 191 N 0.31 1.28 0.08 2.29 0.01 0.12 0.27 113.70 118.06 3g65 s SER 191 Ca 0.04 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.75 3g65 s SER 191 Cb -0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 3g65 s SER 191 CO -0.00 -0.13 -0.07 0.42 0.41 0.00 0.00 173.24 173.86 3g65 s THR 192 N -1.30 0.68 -0.36 1.44 -4.23 -0.66 -0.61 115.64 110.60 3g65 s THR 192 Ca -0.06 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3g65 s THR 192 Cb -0.10 -1.36 0.15 0.00 1.34 0.00 0.00 72.50 72.53 3g65 s THR 192 CO 0.01 -0.71 0.27 -0.36 -0.54 0.00 0.00 174.62 173.30 3g65 s PHE 193 N -2.89 0.37 0.00 3.99 0.08 -1.26 -2.14 117.98 116.14 3g65 s PHE 193 Ca 0.05 -1.37 0.00 0.00 0.12 0.00 0.00 56.93 55.73 3g65 s PHE 193 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 3g65 s PHE 193 CO -0.03 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.62 3g65 n GLY 194 N 4.07 5.66 0.20 4.36 0.00 0.18 -4.33 105.19 115.33 3g65 n GLY 194 Ca 0.12 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 3g65 n GLY 194 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g65 h ASN 195 N 0.00 -0.49 -0.96 1.61 2.35 -1.98 -1.59 115.58 114.53 3g65 h ASN 195 Ca 0.00 0.12 0.15 0.00 -0.55 0.00 0.00 56.30 56.02 3g65 h ASN 195 Cb 0.00 0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 3g65 h ASN 195 CO 0.00 -0.18 0.61 0.00 -1.65 0.00 0.00 177.43 176.21 3g65 h ALA 196 N 1.20 1.71 0.00 -0.83 0.00 -1.98 -3.48 119.26 115.88 3g65 h ALA 196 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3g65 h ALA 196 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g65 h ALA 196 CO -0.39 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.28 3g65 n GLY 197 N -1.39 0.19 2.92 0.00 0.00 -0.60 -5.09 105.19 101.23 3g65 n GLY 197 Ca 0.19 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 3g65 n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g65 s SER 198 N -4.00 1.79 -0.12 1.61 1.04 -1.26 -0.65 113.70 112.11 3g65 s SER 198 Ca 0.00 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3g65 s SER 198 Cb 0.00 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 3g65 s SER 198 CO 0.00 -0.08 -0.17 -0.44 0.98 0.00 0.00 173.24 173.53 3g65 s SER 199 N 1.32 3.64 0.01 7.02 0.01 -0.91 -4.97 113.70 119.82 3g65 s SER 199 Ca -0.03 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.87 3g65 s SER 199 Cb -0.14 -1.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 3g65 s SER 199 CO -0.03 0.16 -0.19 -1.00 0.41 0.00 0.00 173.24 172.58 3g65 s HIS 200 N 0.39 2.54 -0.22 2.43 3.76 -1.26 -1.66 115.29 121.27 3g65 s HIS 200 Ca -0.13 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3g65 s HIS 200 Cb -0.17 -1.50 0.06 0.00 1.11 0.00 0.00 32.58 32.08 3g65 s HIS 200 CO 0.06 0.19 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.93 3g65 s LEU 201 N -1.15 2.25 0.13 0.89 2.96 0.14 -4.96 118.68 118.95 3g65 s LEU 201 Ca 0.13 -1.06 0.01 0.00 -0.22 0.00 0.00 54.13 52.99 3g65 s LEU 201 Cb -0.10 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 3g65 s LEU 201 CO 0.03 -0.24 0.28 -1.81 -1.32 0.00 0.00 176.35 173.29 3g65 s ASP 202 N 1.49 6.35 -0.38 3.68 1.01 -1.26 -0.42 116.67 127.14 3g65 s ASP 202 Ca -0.04 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.45 3g65 s ASP 202 Cb -0.18 -1.94 0.13 0.00 1.01 0.00 0.00 42.92 41.94 3g65 s ASP 202 CO -0.07 0.07 0.20 -0.31 0.21 0.00 0.00 175.17 175.27 3g65 s TYR 203 N -1.69 1.45 0.41 4.23 2.02 0.38 -4.97 117.35 119.17 3g65 s TYR 203 Ca 0.35 -1.96 -0.27 0.00 -0.37 0.00 0.00 57.07 54.82 3g65 s TYR 203 Cb -0.12 -1.50 -0.10 0.00 -0.40 0.00 0.00 41.96 39.84 3g65 s TYR 203 CO 0.28 -0.82 1.46 -2.30 -1.57 0.00 0.00 175.55 172.61 3g65 n PRO 204 N 4.05 2.49 -0.99 -1.71 -0.02 -1.26 -3.59 135.00 133.97 3g65 n PRO 204 Ca 0.07 0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 62.12 3g65 n PRO 204 Cb 0.37 -2.65 0.14 0.00 -0.02 0.00 0.00 33.50 31.34 3g65 n PRO 204 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3g65 s LYS 205 N -2.24 1.36 -1.25 -0.52 2.20 -1.26 -3.28 119.74 114.75 3g65 s LYS 205 Ca 0.56 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 3g65 s LYS 205 Cb -0.47 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 3g65 s LYS 205 CO 0.61 -2.28 0.00 -0.25 -0.36 0.00 0.00 175.35 173.07 3g65 n ASP 206 N -3.96 -4.39 -4.82 1.43 8.00 -1.26 -5.00 116.55 106.55 3g65 n ASP 206 Ca 0.09 0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 3g65 n ASP 206 Cb 0.53 -2.99 -0.06 0.00 -0.02 0.00 0.00 41.12 38.58 3g65 n ASP 206 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3g65 s SER 207 N -2.84 6.99 0.59 -2.24 0.15 -1.21 -4.95 113.70 110.19 3g65 s SER 207 Ca 0.00 1.25 0.35 0.00 0.70 0.00 0.00 55.95 58.25 3g65 s SER 207 Cb 0.00 -2.35 1.88 0.00 -1.71 0.00 0.00 66.02 63.84 3g65 s SER 207 CO 0.00 0.16 2.21 0.44 1.20 0.00 0.00 173.24 177.25 3g65 h ASP 208 N 3.94 0.00 1.34 5.45 5.19 -1.94 0.14 116.42 130.53 3g65 h ASP 208 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3g65 h ASP 208 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3g65 h ASP 208 CO 0.65 0.04 0.00 -0.11 -3.12 0.00 0.00 179.24 176.69 3g65 n LEU 209 N -3.41 0.80 -4.51 1.55 7.94 -1.26 -4.66 117.00 113.45 3g65 n LEU 209 Ca -0.02 0.60 -0.41 0.00 -1.11 0.00 0.00 56.01 55.07 3g65 n LEU 209 Cb 0.15 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.63 3g65 n LEU 209 CO 0.25 -0.26 -0.11 -0.32 -1.11 0.00 0.00 177.39 175.84 3g65 s MET 210 N -3.15 3.38 -0.12 1.96 1.75 0.49 -2.01 119.30 121.61 3g65 s MET 210 Ca 0.09 -0.72 -0.06 0.00 -1.25 0.00 0.00 55.69 53.75 3g65 s MET 210 Cb 0.12 -3.84 -0.02 0.00 2.84 0.00 0.00 34.83 33.93 3g65 s MET 210 CO 0.56 -0.51 -0.12 1.49 -0.65 0.00 0.00 175.02 175.79 3g65 h GLU 211 N 8.52 0.00 -6.69 4.11 4.81 -1.41 -3.43 114.58 120.48 3g65 h GLU 211 Ca -0.30 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.25 3g65 h GLU 211 Cb 1.15 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.35 3g65 h GLU 211 CO 0.65 0.00 -0.79 0.00 -0.73 0.00 0.00 179.01 178.14 3g65 s ALA 212 N -2.69 2.72 -0.23 2.92 0.00 -0.69 -4.98 121.76 118.81 3g65 s ALA 212 Ca -0.10 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 3g65 s ALA 212 Cb 0.01 -0.67 0.12 0.00 0.00 0.00 0.00 23.12 22.58 3g65 s ALA 212 CO 0.15 0.59 0.32 0.12 0.00 0.00 0.00 175.76 176.95 3g65 s PHE 213 N -1.18 -0.64 -0.46 0.00 2.19 -1.26 -2.14 117.98 114.49 3g65 s PHE 213 Ca 0.19 0.61 0.07 0.00 0.33 0.00 0.00 56.93 58.13 3g65 s PHE 213 Cb -0.11 -0.12 0.25 0.00 -1.31 0.00 0.00 43.02 41.74 3g65 s PHE 213 CO 0.11 -0.69 0.57 0.72 1.83 0.00 0.00 175.22 177.76 3g65 n HIS 214 N 5.35 0.67 -3.48 10.12 8.25 0.05 -5.04 115.22 131.14 3g65 n HIS 214 Ca -0.04 -3.71 -0.43 0.00 -0.26 0.00 0.00 57.72 53.28 3g65 n HIS 214 Cb 0.50 -0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 3g65 n HIS 214 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g65 h ASN 216 N 8.60 0.13 -5.03 0.00 4.21 -1.95 -3.39 115.58 118.15 3g65 h ASN 216 Ca -0.27 -0.79 -0.13 0.00 1.21 0.00 0.00 56.30 56.32 3g65 h ASN 216 Cb 1.12 -0.04 -0.19 0.00 -1.12 0.00 0.00 38.32 38.09 3g65 h ASN 216 CO 0.73 0.91 -0.44 0.00 -1.29 0.00 0.00 177.43 177.33 3g65 s GLN 217 N -3.04 0.59 0.14 0.81 -2.07 -1.26 -4.86 119.66 109.97 3g65 s GLN 217 Ca -0.17 -0.51 -0.31 0.00 -1.82 0.00 0.00 55.36 52.55 3g65 s GLN 217 Cb -0.00 0.24 -0.11 0.00 -1.09 0.00 0.00 33.01 32.05 3g65 s GLN 217 CO 0.72 -0.15 1.81 -0.08 -1.32 0.00 0.00 175.29 176.26 3g65 s THR 218 N -1.94 2.40 -0.02 3.63 -1.32 -1.26 -4.68 115.64 112.45 3g65 s THR 218 Ca -0.10 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.45 3g65 s THR 218 Cb -0.04 -3.02 -0.01 0.00 -1.51 0.00 0.00 72.50 67.92 3g65 s THR 218 CO -0.01 0.00 -0.14 -1.10 -2.21 0.00 0.00 174.62 171.16 3g65 s GLN 219 N 2.36 1.27 -0.21 7.08 -1.52 -0.18 -5.00 119.66 123.46 3g65 s GLN 219 Ca 0.79 -0.50 0.01 0.00 -1.95 0.00 0.00 55.36 53.71 3g65 s GLN 219 Cb -0.47 -1.19 0.05 0.00 -0.22 0.00 0.00 33.01 31.19 3g65 s GLN 219 CO 0.35 0.26 -0.07 0.08 -0.25 0.00 0.00 175.29 175.66 3g65 s VAL 220 N -0.15 1.54 0.09 1.09 1.01 -1.26 -2.13 120.40 120.59 3g65 s VAL 220 Ca 0.02 -1.08 0.09 0.00 0.00 0.00 0.00 61.98 61.00 3g65 s VAL 220 Cb -0.07 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3g65 s VAL 220 CO 0.00 0.03 -0.23 0.20 0.00 0.00 0.00 175.10 175.11 3g65 s ASN 221 N 1.41 2.75 -0.18 3.32 0.01 -0.68 -5.00 114.94 116.59 3g65 s ASN 221 Ca -0.03 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 3g65 s ASN 221 Cb -0.17 -0.18 0.04 0.00 0.41 0.00 0.00 41.25 41.34 3g65 s ASN 221 CO -0.07 0.12 -0.09 -0.13 -1.51 0.00 0.00 177.10 175.42 3g65 s ARG 222 N -1.75 1.85 -0.05 -0.60 0.52 -1.26 -0.33 118.95 117.34 3g65 s ARG 222 Ca 0.09 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3g65 s ARG 222 Cb -0.10 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3g65 s ARG 222 CO 0.04 -0.40 -0.13 0.71 0.02 0.00 0.00 175.30 175.54 3g65 s TYR 223 N 1.49 2.74 -0.23 -0.53 2.02 -1.05 0.30 117.35 122.09 3g65 s TYR 223 Ca 0.00 -0.12 -0.32 0.00 -0.37 0.00 0.00 57.07 56.26 3g65 s TYR 223 Cb -0.15 -1.63 -0.09 0.00 -0.40 0.00 0.00 41.96 39.68 3g65 s TYR 223 CO -0.08 0.23 2.13 1.63 -1.57 0.00 0.00 175.55 177.88 3g65 n LYS 224 N 2.21 1.68 0.08 -0.62 5.02 -1.26 -0.30 118.16 124.97 3g65 n LYS 224 Ca -0.17 0.51 0.15 0.00 -2.02 0.00 0.00 58.31 56.77 3g65 n LYS 224 Cb 0.52 -2.79 0.64 0.00 -0.02 0.00 0.00 35.03 33.38 3g65 n LYS 224 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3g65 h ILE 225 N 6.71 0.85 0.00 -0.18 2.10 -1.80 0.13 117.51 125.32 3g65 h ILE 225 Ca -0.38 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3g65 h ILE 225 Cb 1.28 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3g65 h ILE 225 CO 0.98 0.01 0.00 -1.54 -1.08 0.00 0.00 178.15 176.52 3g65 n SER 226 N -4.45 0.00 -0.01 2.19 3.41 -1.26 -1.70 113.62 111.81 3g65 n SER 226 Ca 0.05 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 3g65 n SER 226 Cb 0.39 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 3g65 n SER 226 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g65 n LEU 227 N -1.50 0.40 -0.08 1.04 4.77 0.44 -4.35 117.00 117.72 3g65 n LEU 227 Ca 0.02 -0.22 0.06 0.00 -0.03 0.00 0.00 56.01 55.84 3g65 n LEU 227 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3g65 n LEU 227 CO 0.07 0.10 0.04 0.18 -1.33 0.00 0.00 177.39 176.44 3g65 n LEU 228 N -1.88 0.80 -0.02 2.23 4.77 -0.69 -4.57 117.00 117.64 3g65 n LEU 228 Ca -0.00 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.31 3g65 n LEU 228 Cb 0.43 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3g65 n LEU 228 CO 0.41 0.18 0.91 0.11 -1.33 0.00 0.00 177.39 177.68 3g65 h LYS 229 N 0.37 0.16 0.00 3.23 1.57 -1.54 -2.34 116.57 118.02 3g65 h LYS 229 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3g65 h LYS 229 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3g65 h LYS 229 CO 0.00 0.10 0.02 -2.30 -0.57 0.00 0.00 179.45 176.70 3g65 n PRO 230 N -5.03 0.08 0.27 3.15 -0.02 -1.26 -1.84 135.00 130.35 3g65 n PRO 230 Ca -0.04 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3g65 n PRO 230 Cb 0.05 -1.78 0.83 0.00 -0.02 0.00 0.00 33.50 32.58 3g65 n PRO 230 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3g65 h SER 231 N 0.00 0.00 -0.68 2.55 0.02 -1.71 -1.99 113.55 111.74 3g65 h SER 231 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3g65 h SER 231 Cb 0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3g65 h SER 231 CO 0.00 0.00 0.45 0.71 -1.14 0.00 0.00 176.83 176.85 3g65 h THR 232 N 0.00 0.88 -0.40 -2.27 1.35 -1.56 0.11 112.91 111.02 3g65 h THR 232 Ca 0.01 -0.16 0.12 0.00 -0.55 0.00 0.00 66.41 65.83 3g65 h THR 232 Cb 0.07 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 3g65 h THR 232 CO -0.00 0.09 0.36 0.11 -0.25 0.00 0.00 175.52 175.82 3g65 h LYS 233 N 0.47 0.00 0.00 4.72 1.57 -1.60 -0.50 116.57 121.24 3g65 h LYS 233 Ca 0.32 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.75 3g65 h LYS 233 Cb 0.60 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 3g65 h LYS 233 CO -0.10 0.00 -2.32 0.00 -0.57 0.00 0.00 179.45 176.46 3g65 n ALA 234 N -2.46 1.52 0.09 3.86 0.00 0.16 -4.19 120.51 119.49 3g65 n ALA 234 Ca 0.07 -1.20 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 3g65 n ALA 234 Cb 0.54 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 3g65 n ALA 234 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3g65 h LEU 235 N 0.00 -0.12 0.00 0.00 5.85 0.06 -0.13 115.31 120.97 3g65 h LEU 235 Ca -0.52 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3g65 h LEU 235 Cb 2.08 0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.14 3g65 h LEU 235 CO -0.00 -0.07 0.00 0.52 -0.34 0.00 0.00 178.44 178.55 3g65 n VAL 236 N -5.14 0.29 0.63 1.05 0.31 -0.29 -2.63 118.33 112.54 3g65 n VAL 236 Ca -0.08 0.07 0.07 0.00 -0.01 0.00 0.00 64.34 64.39 3g65 n VAL 236 Cb 0.09 -0.71 -0.05 0.00 -0.91 0.00 0.00 33.84 32.26 3g65 n VAL 236 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3g65 n LEU 237 N -1.26 0.94 -4.83 7.52 0.00 -0.69 -5.01 117.00 113.67 3g65 n LEU 237 Ca 0.11 -0.59 -0.22 0.00 0.00 0.00 0.00 56.01 55.31 3g65 n LEU 237 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.54 3g65 n LEU 237 CO 0.16 0.20 -0.06 -0.94 0.00 0.00 0.00 177.39 176.76 3g65 s SER 238 N -2.08 4.87 -0.23 1.96 1.04 -0.15 -4.70 113.70 114.41 3g65 s SER 238 Ca 0.07 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.63 3g65 s SER 238 Cb 0.11 -0.57 -0.12 0.00 0.10 0.00 0.00 66.02 65.54 3g65 s SER 238 CO 0.48 -0.60 -0.24 0.00 0.98 0.00 0.00 173.24 173.86 3g65 s LYS 240 N -2.43 1.45 -0.05 0.00 1.02 -1.26 -2.59 119.74 115.87 3g65 s LYS 240 Ca -0.31 -1.53 -0.02 0.00 0.02 0.00 0.00 55.97 54.12 3g65 s LYS 240 Cb 0.10 -1.59 0.04 0.00 -0.52 0.00 0.00 37.83 35.86 3g65 s LYS 240 CO 0.46 0.32 0.10 0.54 -0.92 0.00 0.00 175.35 175.85 3g65 s VAL 241 N -2.07 -0.14 -0.81 3.17 0.11 -1.11 -1.88 120.40 117.66 3g65 s VAL 241 Ca 0.21 0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 59.45 3g65 s VAL 241 Cb -0.06 -0.20 0.19 0.00 -1.53 0.00 0.00 36.38 34.79 3g65 s VAL 241 CO 0.09 0.14 0.81 -0.44 -3.33 0.00 0.00 175.10 172.38 3g65 s SER 242 N 1.93 6.67 -0.14 3.54 0.01 0.33 -3.10 113.70 122.94 3g65 s SER 242 Ca 0.01 -2.44 -0.29 0.00 1.31 0.00 0.00 55.95 54.53 3g65 s SER 242 Cb -0.12 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3g65 s SER 242 CO -0.04 -0.71 1.35 -0.63 0.41 0.00 0.00 173.24 173.62 3g65 s ILE 243 N 0.86 4.13 0.06 1.44 1.01 0.10 -2.80 121.20 125.99 3g65 s ILE 243 Ca 0.19 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.24 3g65 s ILE 243 Cb -0.11 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 3g65 s ILE 243 CO -0.07 -0.12 -0.12 -0.60 0.00 0.00 0.00 174.94 174.03 3g65 s ARG 244 N 3.62 0.70 -0.04 2.79 3.52 -0.05 -1.11 118.95 128.38 3g65 s ARG 244 Ca 0.59 -0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 3g65 s ARG 244 Cb -0.24 -0.62 0.02 0.00 -1.56 0.00 0.00 34.95 32.55 3g65 s ARG 244 CO 0.18 0.13 0.10 -0.08 -0.81 0.00 0.00 175.30 174.82 3g65 s THR 245 N -1.30 -0.02 0.00 4.11 -1.32 -0.99 -0.58 115.64 115.53 3g65 s THR 245 Ca -0.05 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3g65 s THR 245 Cb -0.10 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 3g65 s THR 245 CO 0.02 0.04 0.00 -0.90 -2.21 0.00 0.00 174.62 171.56 3g65 n ASP 246 N 3.57 0.26 -0.09 8.08 5.75 -1.13 -1.50 116.55 131.49 3g65 n ASP 246 Ca -0.19 -0.81 -0.11 0.00 -0.01 0.00 0.00 54.79 53.67 3g65 n ASP 246 Cb 0.56 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.67 3g65 n ASP 246 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3g65 h ASN 247 N 0.00 0.87 0.98 -1.12 -1.07 -1.54 -3.07 115.58 110.63 3g65 h ASN 247 Ca 0.00 -0.39 -0.00 0.00 0.07 0.00 0.00 56.30 55.98 3g65 h ASN 247 Cb 0.00 -0.24 -0.00 0.00 -2.07 0.00 0.00 38.32 36.01 3g65 h ASN 247 CO 0.00 1.15 -0.01 0.03 0.07 0.00 0.00 177.43 178.66 3g65 h ARG 248 N 0.68 0.00 0.00 4.14 3.08 -1.96 -3.46 114.38 116.86 3g65 h ARG 248 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3g65 h ARG 248 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3g65 h ARG 248 CO 0.09 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 3g65 n GLY 249 N 0.01 0.52 3.73 0.04 0.00 -1.16 -4.89 105.19 103.43 3g65 n GLY 249 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3g65 n GLY 249 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g65 n PHE 250 N -1.36 2.07 -4.04 1.61 3.01 -1.26 -4.36 117.46 113.13 3g65 n PHE 250 Ca 0.00 0.43 -0.31 0.00 1.01 0.00 0.00 57.45 58.58 3g65 n PHE 250 Cb 0.00 -2.32 -0.06 0.00 -0.01 0.00 0.00 39.48 37.09 3g65 n PHE 250 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3g65 s LEU 251 N -3.58 3.93 -0.19 4.37 2.96 0.17 -2.85 118.68 123.49 3g65 s LEU 251 Ca 0.75 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3g65 s LEU 251 Cb -0.41 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 43.82 3g65 s LEU 251 CO 0.46 0.19 0.05 -0.55 -1.32 0.00 0.00 176.35 175.18 3g65 s SER 252 N -2.26 2.86 -0.38 3.68 0.15 0.25 -2.42 113.70 115.58 3g65 s SER 252 Ca 0.29 -0.81 -0.10 0.00 0.70 0.00 0.00 55.95 56.03 3g65 s SER 252 Cb -0.12 -0.55 0.04 0.00 -1.71 0.00 0.00 66.02 63.68 3g65 s SER 252 CO 0.21 -0.32 0.20 -0.76 1.20 0.00 0.00 173.24 173.77 3g65 s LEU 253 N 1.89 4.72 -0.23 3.45 1.43 0.38 -0.87 118.68 129.46 3g65 s LEU 253 Ca -0.00 -1.11 -0.07 0.00 -1.03 0.00 0.00 54.13 51.92 3g65 s LEU 253 Cb -0.17 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3g65 s LEU 253 CO -0.09 -0.40 0.07 -1.58 0.23 0.00 0.00 176.35 174.58 3g65 s GLN 254 N 1.51 3.75 -0.07 1.70 0.74 -1.12 0.13 119.66 126.29 3g65 s GLN 254 Ca 0.01 -0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.00 3g65 s GLN 254 Cb -0.20 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 3g65 s GLN 254 CO 0.05 -0.05 -0.10 0.71 -0.55 0.00 0.00 175.29 175.35 3g65 s TYR 255 N 1.23 2.83 -0.43 1.67 2.02 0.98 -0.51 117.35 125.15 3g65 s TYR 255 Ca 0.05 -0.09 -0.16 0.00 -0.37 0.00 0.00 57.07 56.49 3g65 s TYR 255 Cb -0.14 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 3g65 s TYR 255 CO 0.03 0.24 0.38 -1.64 -1.57 0.00 0.00 175.55 172.99 3g65 s MET 256 N -0.69 3.02 -0.28 -0.62 -1.94 -0.79 -2.32 119.30 115.68 3g65 s MET 256 Ca 0.10 -0.95 -0.02 0.00 -1.71 0.00 0.00 55.69 53.11 3g65 s MET 256 Cb -0.11 -4.00 0.04 0.00 2.01 0.00 0.00 34.83 32.77 3g65 s MET 256 CO 0.01 -0.84 -0.02 0.42 -0.01 0.00 0.00 175.02 174.58 3g65 s ILE 257 N 1.89 2.95 -0.02 2.53 1.01 -0.56 -1.22 121.20 127.77 3g65 s ILE 257 Ca 0.08 -1.26 -0.24 0.00 0.00 0.00 0.00 60.65 59.23 3g65 s ILE 257 Cb -0.19 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 3g65 s ILE 257 CO 0.11 -0.00 0.71 -0.13 0.00 0.00 0.00 174.94 175.63 3g65 s ARG 258 N 1.28 4.44 1.10 2.79 0.52 -1.26 0.03 118.95 127.85 3g65 s ARG 258 Ca -0.04 0.93 -0.13 0.00 -0.52 0.00 0.00 55.73 55.97 3g65 s ARG 258 Cb -0.19 -3.40 0.25 0.00 0.52 0.00 0.00 34.95 32.13 3g65 s ARG 258 CO -0.02 0.18 1.05 -0.80 0.02 0.00 0.00 175.30 175.74 3g65 s ASN 259 N 0.36 1.61 0.00 0.23 -0.87 0.15 -4.88 114.94 111.55 3g65 s ASN 259 Ca 0.37 1.34 0.09 0.00 -1.57 0.00 0.00 52.86 53.09 3g65 s ASN 259 Cb -0.19 -2.08 0.56 0.00 -0.02 0.00 0.00 41.25 39.52 3g65 s ASN 259 CO 0.20 -3.78 1.29 -0.62 -2.57 0.00 0.00 177.10 171.61 3g65 n GLU 260 N -4.62 0.91 -0.00 -0.60 1.02 -1.26 -2.03 120.64 114.05 3g65 n GLU 260 Ca 0.04 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 3g65 n GLU 260 Cb 0.56 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 3g65 n GLU 260 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3g65 n ASP 261 N -0.66 1.21 0.00 1.62 8.00 -1.26 -5.01 116.55 120.44 3g65 n ASP 261 Ca 0.07 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3g65 n ASP 261 Cb 0.03 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.34 3g65 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g65 n GLY 262 N 1.48 1.95 3.72 0.44 0.00 -0.86 -5.08 105.19 106.84 3g65 n GLY 262 Ca 0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3g65 n GLY 262 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g65 n GLN 263 N 0.00 2.43 -3.14 1.61 6.02 -1.26 -4.44 117.38 118.60 3g65 n GLN 263 Ca 0.00 0.86 -0.31 0.00 -0.01 0.00 0.00 57.00 57.54 3g65 n GLN 263 Cb 0.00 -2.58 -0.05 0.00 1.02 0.00 0.00 30.24 28.63 3g65 n GLN 263 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3g65 s ILE 264 N -0.22 4.82 0.21 5.09 2.07 -1.26 0.34 121.20 132.25 3g65 s ILE 264 Ca 0.64 0.62 0.00 0.00 -1.41 0.00 0.00 60.65 60.49 3g65 s ILE 264 Cb -0.55 -3.67 -0.05 0.00 0.13 0.00 0.00 42.46 38.33 3g65 s ILE 264 CO 0.51 -0.29 0.09 0.00 -1.91 0.00 0.00 174.94 173.35 3g65 s PHE 266 N -3.91 1.71 -0.05 0.00 0.08 -1.25 -1.50 117.98 113.06 3g65 s PHE 266 Ca 0.35 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 3g65 s PHE 266 Cb 0.07 -1.00 0.03 0.00 -0.57 0.00 0.00 43.02 41.56 3g65 s PHE 266 CO 0.10 0.11 0.08 0.08 -0.10 0.00 0.00 175.22 175.49 3g65 s VAL 267 N -0.89 -0.12 -0.09 -0.44 1.01 -0.98 -2.48 120.40 116.41 3g65 s VAL 267 Ca 0.06 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3g65 s VAL 267 Cb -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 3g65 s VAL 267 CO 0.02 0.15 -0.23 -1.61 0.00 0.00 0.00 175.10 173.43 3g65 s GLU 268 N 1.92 2.80 -0.12 2.72 2.02 0.23 -0.01 118.70 128.25 3g65 s GLU 268 Ca 0.01 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 3g65 s GLU 268 Cb -0.12 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 3g65 s GLU 268 CO -0.04 0.22 -0.05 0.71 0.02 0.00 0.00 175.26 176.13 3g65 s TYR 269 N 0.23 3.00 0.09 1.61 1.51 0.12 0.58 117.35 124.48 3g65 s TYR 269 Ca -0.14 -0.15 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3g65 s TYR 269 Cb -0.17 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3g65 s TYR 269 CO 0.07 0.14 -0.23 0.71 -1.11 0.00 0.00 175.55 175.13 3g65 s TYR 270 N -0.18 2.43 -0.19 2.71 2.02 0.64 -0.47 117.35 124.30 3g65 s TYR 270 Ca 0.03 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 3g65 s TYR 270 Cb -0.13 -1.36 0.06 0.00 -0.40 0.00 0.00 41.96 40.14 3g65 s TYR 270 CO 0.03 0.28 0.47 0.00 -1.57 0.00 0.00 175.55 174.76 3g65 s PRO 273 N -1.96 -2.36 -0.24 0.00 0.02 -1.26 -4.69 135.00 124.50 3g65 s PRO 273 Ca 0.45 0.24 0.01 0.00 0.02 0.00 0.00 61.00 61.71 3g65 s PRO 273 Cb -0.17 -1.44 0.04 0.00 0.02 0.00 0.00 34.50 32.95 3g65 s PRO 273 CO 0.22 -4.52 -0.10 0.34 -0.33 0.00 0.00 177.00 172.60 3g65 s ASP 274 N -3.12 4.19 0.00 2.53 2.15 0.15 -4.89 116.67 117.68 3g65 s ASP 274 Ca 0.69 -1.06 0.31 0.00 0.43 0.00 0.00 52.55 52.91 3g65 s ASP 274 Cb -0.15 -1.59 1.67 0.00 -0.30 0.00 0.00 42.92 42.55 3g65 s ASP 274 CO 0.59 -0.14 2.10 -0.62 -0.17 0.00 0.00 175.17 176.93