#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2k n SER 2 N 0.00 0.00 -4.05 1.96 7.64 -1.26 -4.54 113.62 113.38 2g2k n SER 2 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2g2k n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2g2k n SER 2 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2g2k n VAL 3 N 0.00 -0.68 -1.89 0.44 0.24 -1.26 -4.85 118.33 110.32 2g2k n VAL 3 Ca 0.00 -0.34 -0.32 0.00 -2.04 0.00 0.00 64.34 61.64 2g2k n VAL 3 Cb 0.00 -0.76 0.03 0.00 -1.47 0.00 0.00 33.84 31.63 2g2k n VAL 3 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2g2k s ASN 4 N -3.93 5.57 0.59 -1.34 -0.87 -1.26 -4.91 114.94 108.78 2g2k s ASN 4 Ca 0.14 1.80 0.37 0.00 -1.57 0.00 0.00 52.86 53.60 2g2k s ASN 4 Cb -0.08 -2.53 1.71 0.00 -0.02 0.00 0.00 41.25 40.33 2g2k s ASN 4 CO 0.85 -1.31 2.11 -0.37 -2.57 0.00 0.00 177.10 175.81 2g2k h VAL 5 N 0.11 0.05 -0.31 1.60 -1.51 -1.98 -2.25 116.25 111.97 2g2k h VAL 5 Ca -0.46 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2g2k h VAL 5 Cb 1.22 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 2g2k h VAL 5 CO 0.57 0.01 0.00 -0.46 -1.23 0.00 0.00 177.57 176.46 2g2k n ASN 6 N -3.13 3.21 0.22 4.19 6.94 -1.26 -4.54 115.26 120.88 2g2k n ASN 6 Ca -0.01 -2.33 0.08 0.00 -0.02 0.00 0.00 54.58 52.30 2g2k n ASN 6 Cb 0.23 -0.33 0.49 0.00 -2.36 0.00 0.00 39.78 37.81 2g2k n ASN 6 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2g2k h ARG 7 N 1.90 0.00 -0.00 -3.83 2.43 -1.76 -2.26 114.38 110.85 2g2k h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2g2k h ARG 7 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2g2k h ARG 7 CO 0.07 0.27 -0.26 0.45 -1.51 0.00 0.00 179.97 178.99 2g2k n SER 8 N -3.70 0.57 -3.64 -3.80 2.88 -1.26 -4.87 113.62 99.79 2g2k n SER 8 Ca -0.01 -0.43 -0.05 0.00 -1.33 0.00 0.00 58.87 57.05 2g2k n SER 8 Cb 0.38 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 2g2k n SER 8 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2g2k s VAL 9 N -2.71 0.00 -1.28 2.46 0.11 -0.85 -5.02 120.40 113.11 2g2k s VAL 9 Ca 0.20 0.00 0.24 0.00 -2.93 0.00 0.00 61.98 59.49 2g2k s VAL 9 Cb 0.19 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2g2k s VAL 9 CO 0.56 0.00 1.23 0.23 -3.33 0.00 0.00 175.10 173.79 2g2k n MET 10 N 2.71 0.31 -3.06 1.54 2.81 -1.25 -4.58 117.12 115.60 2g2k n MET 10 Ca -0.15 -0.23 -0.33 0.00 -1.81 0.00 0.00 57.70 55.18 2g2k n MET 10 Cb 0.57 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.52 2g2k n MET 10 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2g2k s ASP 11 N -2.84 6.88 0.52 7.83 1.01 -1.26 -4.94 116.67 123.88 2g2k s ASP 11 Ca 0.13 1.40 0.35 0.00 0.71 0.00 0.00 52.55 55.15 2g2k s ASP 11 Cb 0.17 -2.42 1.74 0.00 1.01 0.00 0.00 42.92 43.42 2g2k s ASP 11 CO 0.71 -0.18 2.06 1.56 0.21 0.00 0.00 175.17 179.52 2g2k h GLN 12 N 2.46 0.00 0.00 8.23 4.20 -2.03 -3.45 115.11 124.52 2g2k h GLN 12 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2g2k h GLN 12 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2g2k h GLN 12 CO 0.65 0.00 0.00 0.34 -0.67 0.00 0.00 178.83 179.15 2g2k n PHE 13 N -2.82 0.00 -0.66 2.96 7.35 -1.26 -4.50 117.46 118.53 2g2k n PHE 13 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2g2k n PHE 13 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 2g2k n PHE 13 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2g2k n TYR 14 N 0.00 0.00 -0.92 -5.13 4.19 -1.26 -4.82 117.16 109.21 2g2k n TYR 14 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 2g2k n TYR 14 Cb 0.00 -1.10 -0.14 0.00 0.49 0.00 0.00 39.34 38.59 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2g2k n ARG 15 N -1.91 1.92 -4.03 2.98 0.63 -1.26 -4.79 116.66 110.20 2g2k n ARG 15 Ca 0.00 -0.99 -0.16 0.00 -0.92 0.00 0.00 57.85 55.78 2g2k n ARG 15 Cb 0.02 -2.01 -0.15 0.00 0.45 0.00 0.00 32.46 30.76 2g2k n ARG 15 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2g2k s TYR 16 N 1.30 0.37 -0.03 -0.14 1.51 -1.26 -5.14 117.35 113.96 2g2k s TYR 16 Ca 0.60 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.64 2g2k s TYR 16 Cb 0.28 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.79 2g2k s TYR 16 CO -0.00 -0.07 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.66 2g2k s LYS 17 N 0.45 1.12 -0.06 -0.62 -2.85 -1.26 -5.13 119.74 111.40 2g2k s LYS 17 Ca -0.05 -0.37 -0.02 0.00 -1.00 0.00 0.00 55.97 54.53 2g2k s LYS 17 Cb -0.08 -1.03 0.03 0.00 -2.06 0.00 0.00 37.83 34.70 2g2k s LYS 17 CO -0.01 0.14 0.06 -1.64 0.10 0.00 0.00 175.35 174.01 2g2k s MET 18 N 0.14 -0.00 0.00 1.78 -1.94 -1.26 -4.99 119.30 113.03 2g2k s MET 18 Ca -0.03 0.31 0.20 0.00 -1.71 0.00 0.00 55.69 54.47 2g2k s MET 18 Cb -0.09 -0.68 1.06 0.00 2.01 0.00 0.00 34.83 37.13 2g2k s MET 18 CO 0.01 -0.36 1.64 -0.35 -0.01 0.00 0.00 175.02 175.95 2g2k n PRO 19 N 5.28 0.34 -3.94 2.03 -0.04 -1.26 -4.77 135.00 132.64 2g2k n PRO 19 Ca -0.04 0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 2g2k n PRO 19 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 2g2k n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2g2k s ARG 20 N -2.49 2.31 -0.22 0.54 0.52 -1.26 -5.09 118.95 113.26 2g2k s ARG 20 Ca 0.21 -1.85 -0.20 0.00 -0.52 0.00 0.00 55.73 53.37 2g2k s ARG 20 Cb 0.14 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 2g2k s ARG 20 CO 0.30 -0.31 0.58 -1.17 0.02 0.00 0.00 175.30 174.72 2g2k s LEU 21 N -4.08 4.11 -0.27 2.53 1.98 -1.26 -5.04 118.68 116.64 2g2k s LEU 21 Ca 0.39 0.71 -0.11 0.00 -2.89 0.00 0.00 54.13 52.24 2g2k s LEU 21 Cb 0.00 -2.79 -0.05 0.00 0.66 0.00 0.00 46.19 44.01 2g2k s LEU 21 CO 0.22 -0.27 0.18 -0.63 -1.89 0.00 0.00 176.35 173.97 2g2k s ILE 22 N 2.00 5.21 -0.06 6.68 1.01 -1.26 -4.70 121.20 130.08 2g2k s ILE 22 Ca 0.26 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.06 2g2k s ILE 22 Cb -0.16 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2g2k s ILE 22 CO 0.10 0.27 -0.11 0.00 0.00 0.00 0.00 174.94 175.20 2g2k s ALA 23 N 1.70 2.82 -0.15 9.38 0.00 -1.26 -4.48 121.76 129.77 2g2k s ALA 23 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2g2k s ALA 23 Cb -0.16 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 2g2k s ALA 23 CO 0.10 0.54 -0.15 0.15 0.00 0.00 0.00 175.76 176.40 2g2k s LYS 24 N -0.69 3.24 -0.24 0.00 -0.14 -1.11 -4.75 119.74 116.05 2g2k s LYS 24 Ca 0.10 -0.74 -0.17 0.00 -1.36 0.00 0.00 55.97 53.80 2g2k s LYS 24 Cb -0.11 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.40 2g2k s LYS 24 CO 0.01 0.07 0.45 0.08 -0.76 0.00 0.00 175.35 175.20 2g2k s VAL 25 N 0.68 5.13 0.20 3.17 1.01 -1.26 -0.44 120.40 128.89 2g2k s VAL 25 Ca -0.07 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 2g2k s VAL 25 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2g2k s VAL 25 CO 0.02 0.16 0.17 -0.70 0.00 0.00 0.00 175.10 174.75 2g2k s GLU 26 N 1.87 1.21 0.00 2.72 2.12 0.22 -4.81 118.70 122.04 2g2k s GLU 26 Ca 0.20 -1.56 0.00 0.00 0.36 0.00 0.00 54.97 53.97 2g2k s GLU 26 Cb -0.15 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2g2k s GLU 26 CO 0.09 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 2g2k n GLY 27 N -0.26 -1.34 3.35 -1.50 0.00 -1.26 0.30 105.19 104.47 2g2k n GLY 27 Ca 0.01 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2g2k n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2g2k s LYS 28 N 0.00 0.52 0.00 1.61 2.20 -1.26 -4.75 119.74 118.06 2g2k s LYS 28 Ca 0.00 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 2g2k s LYS 28 Cb 0.00 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2g2k s LYS 28 CO 0.00 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 2g2k n GLY 29 N 2.98 0.17 0.01 5.54 0.00 -1.26 -0.95 105.19 111.68 2g2k n GLY 29 Ca -0.14 0.65 0.11 0.00 0.00 0.00 0.00 46.02 46.64 2g2k n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g2k n ASN 30 N 0.81 0.16 -2.12 1.61 5.15 -1.26 -5.06 115.26 114.54 2g2k n ASN 30 Ca 0.00 -0.11 -0.03 0.00 -0.60 0.00 0.00 54.58 53.84 2g2k n ASN 30 Cb 0.00 1.81 -0.03 0.00 -0.53 0.00 0.00 39.78 41.04 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g2k n GLY 31 N 1.29 -4.39 0.64 8.20 0.00 -0.13 -4.78 105.19 106.02 2g2k n GLY 31 Ca -0.03 0.86 0.06 0.00 0.00 0.00 0.00 46.02 46.91 2g2k n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2g2k n ILE 32 N 1.03 1.53 -3.78 -0.61 2.08 -0.98 -3.97 119.36 114.66 2g2k n ILE 32 Ca -0.24 -1.41 -0.28 0.00 0.56 0.00 0.00 62.75 61.38 2g2k n ILE 32 Cb 0.37 0.17 -0.04 0.00 -0.75 0.00 0.00 39.64 39.40 2g2k n ILE 32 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2g2k s LYS 33 N -1.79 3.51 -0.27 0.38 -2.85 0.87 0.11 119.74 119.69 2g2k s LYS 33 Ca 0.29 -0.36 -0.05 0.00 -1.00 0.00 0.00 55.97 54.84 2g2k s LYS 33 Cb 0.20 -2.90 0.01 0.00 -2.06 0.00 0.00 37.83 33.08 2g2k s LYS 33 CO 0.11 0.47 0.03 0.99 0.10 0.00 0.00 175.35 177.05 2g2k s THR 34 N -1.75 3.61 -0.26 3.79 2.01 0.14 0.73 115.64 123.92 2g2k s THR 34 Ca 0.38 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 2g2k s THR 34 Cb -0.12 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2g2k s THR 34 CO 0.28 0.16 0.02 0.54 -0.69 0.00 0.00 174.62 174.93 2g2k s VAL 35 N 1.45 3.65 -0.25 3.82 0.11 0.41 0.16 120.40 129.76 2g2k s VAL 35 Ca 0.02 -0.61 -0.14 0.00 -2.93 0.00 0.00 61.98 58.33 2g2k s VAL 35 Cb -0.17 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2g2k s VAL 35 CO -0.00 0.24 0.31 -0.63 -3.33 0.00 0.00 175.10 171.69 2g2k s ILE 36 N 1.48 5.24 -1.28 7.04 1.01 -1.13 -2.74 121.20 130.82 2g2k s ILE 36 Ca 0.04 0.47 0.21 0.00 0.00 0.00 0.00 60.65 61.36 2g2k s ILE 36 Cb -0.16 -3.64 -0.16 0.00 0.01 0.00 0.00 42.46 38.51 2g2k s ILE 36 CO -0.00 0.23 0.93 1.33 0.00 0.00 0.00 174.94 177.43 2g2k n VAL 37 N 4.77 0.00 0.01 2.92 0.24 -1.26 -4.28 118.33 120.72 2g2k n VAL 37 Ca -0.10 -0.09 0.02 0.00 -2.04 0.00 0.00 64.34 62.12 2g2k n VAL 37 Cb 0.51 1.08 0.04 0.00 -1.47 0.00 0.00 33.84 34.00 2g2k n VAL 37 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2g2k n ASN 38 N -1.04 2.03 -0.12 -1.34 6.94 -1.26 -4.68 115.26 115.79 2g2k n ASN 38 Ca 0.05 -1.75 -0.10 0.00 -0.02 0.00 0.00 54.58 52.77 2g2k n ASN 38 Cb 0.36 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 2g2k n ASN 38 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 2g2k h MET 39 N 0.74 0.54 -0.27 -3.83 2.86 -1.93 -0.83 114.93 112.21 2g2k h MET 39 Ca 0.00 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 2g2k h MET 39 Cb 0.46 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2g2k h MET 39 CO 0.00 0.57 -0.34 0.28 1.06 0.00 0.00 176.91 178.47 2g2k h VAL 40 N 0.41 1.30 -0.05 -2.22 2.07 -1.88 -0.32 116.25 115.57 2g2k h VAL 40 Ca 0.11 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 2g2k h VAL 40 Cb 0.25 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2g2k h VAL 40 CO -0.00 0.49 0.02 -0.78 0.02 0.00 0.00 177.57 177.32 2g2k h ASP 41 N 0.45 0.07 -0.24 0.57 1.82 -1.82 0.57 116.42 117.83 2g2k h ASP 41 Ca 0.03 -0.11 -0.07 0.00 -0.39 0.00 0.00 57.03 56.49 2g2k h ASP 41 Cb 0.93 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.91 2g2k h ASP 41 CO 0.08 0.16 -0.12 0.58 -1.61 0.00 0.00 179.24 178.33 2g2k h VAL 42 N -0.03 1.30 -0.23 2.25 2.07 -1.19 -0.75 116.25 119.68 2g2k h VAL 42 Ca 0.02 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 2g2k h VAL 42 Cb 0.11 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2g2k h VAL 42 CO -0.00 0.37 -0.07 0.00 0.02 0.00 0.00 177.57 177.89 2g2k h ALA 43 N 0.72 0.32 -0.39 1.67 0.00 -0.99 -2.92 119.26 117.67 2g2k h ALA 43 Ca 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2g2k h ALA 43 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2g2k h ALA 43 CO 0.04 0.12 -0.09 1.57 0.00 0.00 0.00 179.25 180.89 2g2k h LYS 44 N 0.18 0.68 -0.38 0.00 2.10 0.17 2.75 116.57 122.08 2g2k h LYS 44 Ca 0.06 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.47 2g2k h LYS 44 Cb 0.54 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 2g2k h LYS 44 CO 0.03 0.76 0.11 0.00 -2.00 0.00 0.00 179.45 178.34 2g2k h ALA 45 N 1.28 1.48 -0.00 0.07 0.00 -1.05 -3.22 119.26 117.82 2g2k h ALA 45 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2g2k h ALA 45 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2g2k h ALA 45 CO 0.03 0.39 -0.12 1.28 0.00 0.00 0.00 179.25 180.83 2g2k n LEU 46 N -4.35 0.22 0.00 0.00 4.32 -1.07 -5.09 117.00 111.04 2g2k n LEU 46 Ca 0.02 -0.54 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 2g2k n LEU 46 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2g2k n LEU 46 CO 0.38 0.05 0.00 -0.46 -1.22 0.00 0.00 177.39 176.14 2g2k n ASN 47 N -0.96 0.00 -4.65 -1.43 6.94 0.92 -5.07 115.26 111.00 2g2k n ASN 47 Ca 0.01 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.32 2g2k n ASN 47 Cb 0.05 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 37.57 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2g2k s ARG 48 N 1.62 1.67 0.25 -3.83 0.52 -1.20 -3.27 118.95 114.72 2g2k s ARG 48 Ca 0.00 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 2g2k s ARG 48 Cb 0.00 -2.21 -0.09 0.00 0.52 0.00 0.00 34.95 33.17 2g2k s ARG 48 CO 0.00 -1.52 1.17 -1.25 0.02 0.00 0.00 175.30 173.72 2g2k s PRO 49 N -5.28 4.54 0.00 3.54 0.04 -1.26 -3.66 135.00 132.91 2g2k s PRO 49 Ca 0.65 1.90 0.25 0.00 0.04 0.00 0.00 61.00 63.84 2g2k s PRO 49 Cb -0.07 -3.19 1.18 0.00 0.04 0.00 0.00 34.50 32.46 2g2k s PRO 49 CO 0.46 0.04 1.81 -0.35 0.04 0.00 0.00 177.00 179.00 2g2k n PRO 50 N 1.60 0.23 0.29 0.56 -0.04 -1.26 -3.50 135.00 132.88 2g2k n PRO 50 Ca 0.01 0.06 0.18 0.00 -0.04 0.00 0.00 63.50 63.72 2g2k n PRO 50 Cb 0.44 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.34 2g2k n PRO 50 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 51 N 0.00 0.15 0.00 0.52 1.35 -1.95 0.59 112.91 113.57 2g2k h THR 51 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 2g2k h THR 51 Cb 0.30 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 2g2k h THR 51 CO 0.00 0.00 -0.62 1.88 -0.25 0.00 0.00 175.52 176.53 2g2k h TYR 52 N 0.00 0.00 0.00 4.73 -1.99 -1.98 -3.39 116.97 114.34 2g2k h TYR 52 Ca 0.03 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2g2k h TYR 52 Cb 0.44 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.17 2g2k h TYR 52 CO 0.00 0.38 -0.15 -1.00 -0.00 0.00 0.00 178.16 177.39 2g2k h PRO 53 N -1.00 0.00 0.00 4.88 0.13 -1.73 -3.02 132.00 131.26 2g2k h PRO 53 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2g2k h PRO 53 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2g2k h PRO 53 CO -0.05 0.15 0.13 -2.37 -0.23 0.00 0.00 178.00 175.63 2g2k n THR 54 N -3.30 0.91 -0.06 1.56 5.66 0.20 -1.58 114.28 117.68 2g2k n THR 54 Ca 0.00 0.72 -0.13 0.00 -3.05 0.00 0.00 64.05 61.59 2g2k n THR 54 Cb 0.39 -1.72 -0.07 0.00 -1.55 0.00 0.00 70.33 67.39 2g2k n THR 54 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2g2k h LYS 55 N 0.00 0.42 -0.07 1.09 1.63 -1.77 -2.45 116.57 115.42 2g2k h LYS 55 Ca 0.00 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2g2k h LYS 55 Cb 0.27 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2g2k h LYS 55 CO 0.00 0.82 0.02 1.88 -3.45 0.00 0.00 179.45 178.72 2g2k h TYR 56 N 0.06 0.11 -0.57 1.91 0.05 -1.54 -2.56 116.97 114.42 2g2k h TYR 56 Ca 0.02 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.86 2g2k h TYR 56 Cb 0.76 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.43 2g2k h TYR 56 CO 0.09 0.25 0.38 0.74 -1.05 0.00 0.00 178.16 178.57 2g2k h PHE 57 N -0.06 0.50 -0.83 4.88 0.04 -1.61 -0.93 116.94 118.93 2g2k h PHE 57 Ca 0.02 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.82 2g2k h PHE 57 Cb 0.19 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 2g2k h PHE 57 CO -0.01 0.26 0.54 0.78 -0.60 0.00 0.00 178.31 179.28 2g2k h GLY 58 N 0.49 1.18 0.89 -1.45 0.00 -1.02 -1.37 103.07 101.78 2g2k h GLY 58 Ca 0.25 -0.42 0.08 0.00 0.00 0.00 0.00 47.33 47.24 2g2k h GLY 58 CO -0.07 0.39 0.53 0.00 0.00 0.00 0.00 176.54 177.39 2g2k h GLU 60 N 0.82 0.08 -0.33 0.00 4.39 -1.20 -2.42 114.58 115.92 2g2k h GLU 60 Ca 0.36 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2g2k h GLU 60 Cb 0.33 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2g2k h GLU 60 CO -0.13 0.21 0.00 1.47 -1.16 0.00 0.00 179.01 179.40 2g2k n LEU 61 N -4.97 0.64 0.00 1.33 -0.00 -0.89 -4.82 117.00 108.29 2g2k n LEU 61 Ca -0.07 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.62 2g2k n LEU 61 Cb 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2g2k n LEU 61 CO 0.34 0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.48 2g2k n GLY 62 N 0.44 0.25 3.50 1.47 0.00 -0.71 -4.93 105.19 105.21 2g2k n GLY 62 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2g2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g2k s ALA 63 N -1.68 2.75 0.00 4.61 0.00 -0.23 -4.95 121.76 122.26 2g2k s ALA 63 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2g2k s ALA 63 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2g2k s ALA 63 CO 0.00 0.10 0.00 1.04 0.00 0.00 0.00 175.76 176.90 2g2k n GLN 64 N -0.69 0.00 -4.04 0.00 3.00 -1.26 -3.11 117.38 111.27 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 2g2k n GLN 64 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.80 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2g2k s THR 65 N 3.09 0.00 -0.06 5.09 -4.23 -1.26 -3.25 115.64 115.02 2g2k s THR 65 Ca 0.00 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 2g2k s THR 65 Cb 0.00 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2g2k s THR 65 CO 0.00 0.00 0.17 -1.58 -0.54 0.00 0.00 174.62 172.67 2g2k s GLN 66 N -4.01 0.20 0.03 3.99 0.74 0.49 -4.79 119.66 116.31 2g2k s GLN 66 Ca 0.26 0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.97 2g2k s GLN 66 Cb 0.01 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 2g2k s GLN 66 CO 0.10 -0.02 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.57 2g2k s PHE 67 N 0.10 1.65 -0.16 1.67 0.08 -1.26 -0.76 117.98 119.29 2g2k s PHE 67 Ca -0.00 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2g2k s PHE 67 Cb -0.01 -0.99 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2g2k s PHE 67 CO 0.00 0.06 -0.10 0.34 -0.10 0.00 0.00 175.22 175.42 2g2k s ASP 68 N -1.03 2.86 -0.07 1.36 -1.08 -0.52 -4.98 116.67 113.20 2g2k s ASP 68 Ca 0.06 -0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 51.44 2g2k s ASP 68 Cb -0.08 -1.09 -0.01 0.00 -1.46 0.00 0.00 42.92 40.28 2g2k s ASP 68 CO 0.01 -0.12 -0.05 0.58 0.52 0.00 0.00 175.17 176.11 2g2k h VAL 69 N 6.24 0.00 0.00 1.11 2.07 -1.94 1.33 116.25 125.06 2g2k h VAL 69 Ca -0.31 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2g2k h VAL 69 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2g2k h VAL 69 CO 0.47 0.00 0.20 0.50 0.02 0.00 0.00 177.57 178.76 2g2k h LYS 70 N -0.59 0.00 0.00 1.57 3.64 -1.99 -0.02 116.57 119.17 2g2k h LYS 70 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 2g2k h LYS 70 Cb 0.15 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 2g2k h LYS 70 CO 0.00 0.00 -2.30 0.09 -2.27 0.00 0.00 179.45 174.97 2g2k n ASN 71 N -2.67 0.64 -0.41 4.20 3.02 -1.25 -4.98 115.26 113.81 2g2k n ASN 71 Ca -0.02 -0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.46 2g2k n ASN 71 Cb 0.25 0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 40.15 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2g2k n ASP 72 N -2.78 -4.26 -4.38 6.41 8.00 0.45 -4.99 116.55 115.01 2g2k n ASP 72 Ca -0.32 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 54.98 2g2k n ASP 72 Cb 1.09 -2.23 -0.14 0.00 -0.02 0.00 0.00 41.12 39.81 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2g2k s ARG 73 N -1.97 3.41 -0.08 -1.24 3.52 -1.04 -4.92 118.95 116.63 2g2k s ARG 73 Ca 0.00 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2g2k s ARG 73 Cb 0.00 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 2g2k s ARG 73 CO 0.00 0.20 -0.13 0.71 -0.81 0.00 0.00 175.30 175.27 2g2k s TYR 74 N 0.40 2.77 0.07 5.12 2.02 -1.26 -1.44 117.35 125.02 2g2k s TYR 74 Ca -0.10 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 2g2k s TYR 74 Cb -0.16 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2g2k s TYR 74 CO 0.05 0.04 -0.16 0.96 -1.57 0.00 0.00 175.55 174.87 2g2k s ILE 75 N -0.31 1.27 -0.18 2.71 -5.25 0.06 -2.82 121.20 116.67 2g2k s ILE 75 Ca 0.03 -1.26 -0.02 0.00 -0.99 0.00 0.00 60.65 58.41 2g2k s ILE 75 Cb -0.13 -1.17 -0.00 0.00 2.95 0.00 0.00 42.46 44.11 2g2k s ILE 75 CO 0.03 -0.10 -0.10 -0.69 -1.79 0.00 0.00 174.94 172.28 2g2k s VAL 76 N -1.11 2.98 0.37 8.37 1.01 0.43 0.19 120.40 132.64 2g2k s VAL 76 Ca 0.01 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 2g2k s VAL 76 Cb -0.09 -2.31 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 2g2k s VAL 76 CO 0.02 0.48 0.90 0.59 0.00 0.00 0.00 175.10 177.09 2g2k n ASN 77 N 4.38 0.75 0.00 3.32 3.02 -1.20 -1.27 115.26 124.26 2g2k n ASN 77 Ca -0.19 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 2g2k n ASN 77 Cb 0.51 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2g2k n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g2k n GLY 78 N 1.35 2.61 3.65 7.41 0.00 -1.23 -4.47 105.19 114.51 2g2k n GLY 78 Ca 0.10 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 2g2k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g2k s SER 79 N 0.00 6.15 -0.04 1.61 1.04 0.30 0.28 113.70 123.03 2g2k s SER 79 Ca 0.00 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 2g2k s SER 79 Cb 0.00 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 64.01 2g2k s SER 79 CO 0.00 0.02 0.09 -1.00 0.98 0.00 0.00 173.24 173.32 2g2k s HIS 80 N 1.26 -0.08 0.50 5.02 3.76 -1.26 -4.97 115.29 119.52 2g2k s HIS 80 Ca 0.09 0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 55.20 2g2k s HIS 80 Cb -0.14 -0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 2g2k s HIS 80 CO 0.06 -0.09 0.84 -2.00 -0.85 0.00 0.00 174.74 172.70 2g2k s GLU 81 N 0.61 3.61 0.25 1.40 2.12 -1.26 -4.78 118.70 120.64 2g2k s GLU 81 Ca -0.05 0.39 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 2g2k s GLU 81 Cb -0.07 -2.31 0.49 0.00 0.26 0.00 0.00 34.13 32.51 2g2k s GLU 81 CO -0.02 -0.26 1.73 0.00 -0.54 0.00 0.00 175.26 176.17 2g2k h ALA 82 N 0.30 1.12 -0.22 6.30 0.00 -1.85 0.48 119.26 125.39 2g2k h ALA 82 Ca -0.46 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2g2k h ALA 82 Cb 1.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2g2k h ALA 82 CO 0.62 -0.21 -0.12 -0.97 0.00 0.00 0.00 179.25 178.58 2g2k h ASN 83 N 0.46 0.34 -0.62 0.00 -0.73 -1.92 -2.37 115.58 110.73 2g2k h ASN 83 Ca 0.43 -0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.55 2g2k h ASN 83 Cb 0.66 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 2g2k h ASN 83 CO -0.41 0.49 0.41 0.50 -0.37 0.00 0.00 177.43 178.05 2g2k h LYS 84 N 0.33 0.74 -0.90 6.67 1.63 -0.40 -1.89 116.57 122.74 2g2k h LYS 84 Ca 0.07 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 2g2k h LYS 84 Cb 0.42 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 2g2k h LYS 84 CO 0.02 0.49 0.59 -0.07 -3.45 0.00 0.00 179.45 177.03 2g2k h LEU 85 N 0.76 0.98 -0.11 5.20 -0.00 -0.87 1.35 115.31 122.61 2g2k h LEU 85 Ca 0.24 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 58.08 2g2k h LEU 85 Cb 0.04 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2g2k h LEU 85 CO -0.06 0.67 -0.06 -0.61 -0.00 0.00 0.00 178.44 178.38 2g2k h GLN 86 N 1.13 0.23 -0.31 1.13 4.15 -1.44 -2.16 115.11 117.83 2g2k h GLN 86 Ca 0.36 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.57 2g2k h GLN 86 Cb 0.01 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2g2k h GLN 86 CO -0.11 0.59 -0.25 0.22 -1.93 0.00 0.00 178.83 177.35 2g2k h ASP 87 N -0.13 0.63 -0.27 -0.69 3.58 -1.14 -2.98 116.42 115.42 2g2k h ASP 87 Ca 0.02 -0.22 0.03 0.00 0.42 0.00 0.00 57.03 57.28 2g2k h ASP 87 Cb 0.52 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2g2k h ASP 87 CO 0.02 0.86 0.09 -0.03 -2.88 0.00 0.00 179.24 177.30 2g2k h MET 88 N 0.54 0.20 -0.72 0.28 4.05 0.19 0.39 114.93 119.86 2g2k h MET 88 Ca 0.08 -0.01 0.20 0.00 -0.28 0.00 0.00 59.70 59.68 2g2k h MET 88 Cb 0.72 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 2g2k h MET 88 CO 0.06 0.13 0.51 1.25 0.23 0.00 0.00 176.91 179.09 2g2k h LEU 89 N 0.21 0.06 -0.28 3.39 6.46 -1.24 0.50 115.31 124.41 2g2k h LEU 89 Ca 0.12 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2g2k h LEU 89 Cb 0.09 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2g2k h LEU 89 CO -0.12 0.03 0.08 -0.78 -0.62 0.00 0.00 178.44 177.02 2g2k h ASP 90 N 0.06 0.41 0.15 1.25 3.58 -0.15 -2.32 116.42 119.39 2g2k h ASP 90 Ca 0.34 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 2g2k h ASP 90 Cb 1.28 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2g2k h ASP 90 CO -0.03 0.52 -0.28 1.23 -2.88 0.00 0.00 179.24 177.81 2g2k h GLY 91 N 0.28 0.23 0.56 -0.78 0.00 0.70 -2.55 103.07 101.51 2g2k h GLY 91 Ca 0.09 -0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.35 2g2k h GLY 91 CO -0.00 0.17 0.62 0.74 0.00 0.00 0.00 176.54 178.06 2g2k h PHE 92 N 0.20 1.08 -0.49 5.60 -1.00 -0.21 -1.15 116.94 120.97 2g2k h PHE 92 Ca 0.03 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.93 2g2k h PHE 92 Cb 0.60 -0.35 -0.07 0.00 3.61 0.00 0.00 35.95 39.74 2g2k h PHE 92 CO 0.01 0.46 0.06 0.82 -1.61 0.00 0.00 178.31 178.05 2g2k h ILE 93 N 0.97 0.68 0.00 -0.55 2.04 -1.22 0.54 117.51 119.97 2g2k h ILE 93 Ca 0.47 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 66.21 2g2k h ILE 93 Cb 0.46 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2g2k h ILE 93 CO -0.23 0.03 -0.25 0.11 0.00 0.00 0.00 178.15 177.81 2g2k h LYS 94 N 0.18 0.00 -0.10 2.37 6.56 -1.36 -3.15 116.57 121.07 2g2k h LYS 94 Ca 0.25 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.87 2g2k h LYS 94 Cb 0.35 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2g2k h LYS 94 CO -0.35 0.25 0.08 0.87 -2.06 0.00 0.00 179.45 178.23 2g2k h LYS 95 N 0.00 0.00 0.00 3.15 1.79 0.05 -2.37 116.57 119.19 2g2k h LYS 95 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2g2k h LYS 95 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2g2k h LYS 95 CO 0.03 0.00 -1.87 1.97 -1.08 0.00 0.00 179.45 178.50 2g2k n PHE 96 N -4.42 0.00 0.67 -1.35 1.16 -1.19 -4.10 117.46 108.23 2g2k n PHE 96 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.66 2g2k n PHE 96 Cb 0.19 -0.44 0.39 0.00 -1.61 0.00 0.00 39.48 38.01 2g2k n PHE 96 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2g2k n VAL 97 N -2.16 0.70 -1.20 1.97 0.31 -0.90 -4.61 118.33 112.44 2g2k n VAL 97 Ca -0.03 0.18 -0.47 0.00 -0.01 0.00 0.00 64.34 64.01 2g2k n VAL 97 Cb 0.52 -0.89 -0.12 0.00 -0.91 0.00 0.00 33.84 32.44 2g2k n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2g2k n LEU 98 N -1.40 0.51 -4.73 7.52 7.99 -1.14 -4.81 117.00 120.93 2g2k n LEU 98 Ca 0.06 0.43 -0.34 0.00 -0.01 0.00 0.00 56.01 56.15 2g2k n LEU 98 Cb 0.17 -0.81 0.09 0.00 -0.11 0.00 0.00 43.42 42.76 2g2k n LEU 98 CO 0.14 -0.67 0.77 0.00 -1.51 0.00 0.00 177.39 176.13 2g2k n PRO 100 N -2.83 0.18 0.00 0.00 -0.04 -1.26 -3.07 135.00 127.98 2g2k n PRO 100 Ca 0.12 0.39 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 2g2k n PRO 100 Cb 0.51 -1.83 -0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2g2k n PRO 100 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2g2k h GLU 101 N 0.00 -0.04 0.00 0.54 3.07 -1.99 -3.46 114.58 112.69 2g2k h GLU 101 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2g2k h GLU 101 Cb 0.38 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2g2k h GLU 101 CO 0.00 -0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.58 2g2k n GLU 103 N 0.00 -0.92 -0.04 0.00 -0.00 -1.17 -4.77 120.64 113.74 2g2k n GLU 103 Ca 0.00 -0.40 -0.04 0.00 -0.00 0.00 0.00 57.16 56.72 2g2k n GLU 103 Cb 0.49 0.29 -0.01 0.00 -0.00 0.00 0.00 31.44 32.21 2g2k n GLU 103 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2g2k n ASN 104 N 0.35 0.90 -4.78 -1.84 3.02 -1.26 -4.81 115.26 106.84 2g2k n ASN 104 Ca -0.02 0.15 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 2g2k n ASN 104 Cb 0.10 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2g2k s PRO 105 N -1.89 3.55 -0.13 3.52 0.04 -1.26 -4.95 135.00 133.89 2g2k s PRO 105 Ca -0.13 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 2g2k s PRO 105 Cb 0.02 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2g2k s PRO 105 CO 0.19 -0.66 1.59 -1.21 0.04 0.00 0.00 177.00 176.95 2g2k s GLU 106 N -3.27 4.05 0.35 4.56 0.41 -1.26 -4.66 118.70 118.88 2g2k s GLU 106 Ca 0.70 1.92 0.08 0.00 -0.41 0.00 0.00 54.97 57.26 2g2k s GLU 106 Cb -0.20 -3.97 -0.04 0.00 -1.78 0.00 0.00 34.13 28.14 2g2k s GLU 106 CO 0.24 -0.99 0.20 0.95 -0.49 0.00 0.00 175.26 175.17 2g2k s THR 107 N 4.40 3.03 0.26 3.63 -4.23 -1.26 -4.67 115.64 116.79 2g2k s THR 107 Ca 0.70 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.72 2g2k s THR 107 Cb -0.29 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 2g2k s THR 107 CO 0.27 -0.14 -0.04 1.51 -0.54 0.00 0.00 174.62 175.68 2g2k s ASP 108 N -3.91 4.41 -0.09 3.99 1.47 -1.26 -5.04 116.67 116.22 2g2k s ASP 108 Ca 0.40 -0.68 -0.03 0.00 1.18 0.00 0.00 52.55 53.42 2g2k s ASP 108 Cb -0.03 -0.77 -0.03 0.00 -0.34 0.00 0.00 42.92 41.75 2g2k s ASP 108 CO 0.24 0.02 0.02 -0.76 0.68 0.00 0.00 175.17 175.37 2g2k s LEU 109 N -3.57 3.68 -0.08 2.11 1.43 -1.26 -4.06 118.68 116.93 2g2k s LEU 109 Ca 0.31 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2g2k s LEU 109 Cb -0.06 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2g2k s LEU 109 CO 0.19 0.37 -0.19 -1.38 0.23 0.00 0.00 176.35 175.57 2g2k s HIS 110 N -0.84 2.08 -0.11 0.29 -3.43 -1.09 -5.02 115.29 107.18 2g2k s HIS 110 Ca 0.13 -0.78 0.02 0.00 -0.80 0.00 0.00 55.06 53.64 2g2k s HIS 110 Cb -0.11 -1.42 -0.00 0.00 -1.43 0.00 0.00 32.58 29.61 2g2k s HIS 110 CO 0.02 -0.32 -0.20 0.54 -2.00 0.00 0.00 174.74 172.79 2g2k s VAL 111 N 0.34 2.40 -0.25 -5.38 0.11 -1.26 -0.14 120.40 116.22 2g2k s VAL 111 Ca -0.14 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 57.89 2g2k s VAL 111 Cb -0.16 -1.96 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 2g2k s VAL 111 CO 0.06 0.55 0.25 0.20 -3.33 0.00 0.00 175.10 172.82 2g2k s ASN 112 N 0.37 6.16 0.20 3.54 0.01 -0.03 -4.96 114.94 120.24 2g2k s ASN 112 Ca -0.16 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.19 2g2k s ASN 112 Cb -0.17 -2.15 0.13 0.00 0.41 0.00 0.00 41.25 39.47 2g2k s ASN 112 CO 0.07 -0.04 1.48 1.55 -1.51 0.00 0.00 177.10 178.65 2g2k h PRO 113 N 7.89 0.27 -0.79 -0.60 0.13 -1.96 0.23 132.00 137.18 2g2k h PRO 113 Ca -0.35 -0.22 0.02 0.00 -0.87 0.00 0.00 66.00 64.57 2g2k h PRO 113 Cb 1.17 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2g2k h PRO 113 CO 0.63 0.87 0.52 1.57 -0.23 0.00 0.00 178.00 181.36 2g2k h LYS 114 N 0.18 1.00 -0.07 0.86 2.10 -1.96 -2.39 116.57 116.30 2g2k h LYS 114 Ca -0.02 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2g2k h LYS 114 Cb 1.27 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2g2k h LYS 114 CO 0.11 0.66 0.00 1.17 -2.00 0.00 0.00 179.45 179.39 2g2k n LYS 115 N -4.57 2.28 -3.91 0.07 4.81 -1.21 -4.96 118.16 110.67 2g2k n LYS 115 Ca 0.09 -1.94 -0.29 0.00 -0.87 0.00 0.00 58.31 55.30 2g2k n LYS 115 Cb 0.05 -1.46 0.02 0.00 0.02 0.00 0.00 35.03 33.67 2g2k n LYS 115 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2g2k n GLN 116 N 1.34 -5.16 -4.41 1.64 6.02 -0.00 -4.96 117.38 111.85 2g2k n GLN 116 Ca 0.14 0.58 -0.23 0.00 -0.01 0.00 0.00 57.00 57.48 2g2k n GLN 116 Cb 0.59 -5.37 -0.08 0.00 1.02 0.00 0.00 30.24 26.40 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g2k s THR 117 N -3.39 0.26 -0.00 5.09 -4.23 -0.77 -4.99 115.64 107.61 2g2k s THR 117 Ca 0.54 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2g2k s THR 117 Cb -0.27 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.18 2g2k s THR 117 CO 0.84 0.00 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.25 2g2k s ILE 118 N -3.29 0.30 0.33 2.99 1.01 -1.26 -0.85 121.20 120.41 2g2k s ILE 118 Ca 0.31 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.90 2g2k s ILE 118 Cb 0.02 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 2g2k s ILE 118 CO 0.21 0.08 -0.03 -0.83 0.00 0.00 0.00 174.94 174.38 2g2k s GLY 119 N -0.08 2.02 -0.04 6.18 0.00 0.80 -3.54 107.32 112.66 2g2k s GLY 119 Ca 0.01 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.81 2g2k s GLY 119 CO -0.00 -1.91 -0.03 0.21 0.00 0.00 0.00 173.10 171.37 2g2k s ASN 120 N -3.68 0.78 0.16 1.64 2.47 -0.76 -2.65 114.94 112.90 2g2k s ASN 120 Ca 0.34 -0.10 0.10 0.00 0.42 0.00 0.00 52.86 53.62 2g2k s ASN 120 Cb -0.01 -0.38 -0.04 0.00 -1.45 0.00 0.00 41.25 39.37 2g2k s ASN 120 CO 0.19 -0.07 -0.19 -0.94 -3.72 0.00 0.00 177.10 172.37 2g2k s SER 121 N 0.93 3.77 -0.20 -4.21 1.04 -1.26 0.79 113.70 114.57 2g2k s SER 121 Ca -0.11 -0.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.57 2g2k s SER 121 Cb -0.14 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 2g2k s SER 121 CO -0.00 0.14 0.03 0.00 0.98 0.00 0.00 173.24 174.39 2g2k n LYS 123 N 4.04 1.74 0.00 0.00 4.81 -1.26 -2.45 118.16 125.04 2g2k n LYS 123 Ca -0.17 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.34 2g2k n LYS 123 Cb 0.52 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2g2k n ALA 124 N 2.84 1.10 -0.89 3.14 0.00 -1.26 -4.79 120.51 120.64 2g2k n ALA 124 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2g2k n ALA 124 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2g2k n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g2k n GLY 126 N -0.01 2.35 0.00 0.00 0.00 -1.03 -4.90 105.19 101.60 2g2k n GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2g2k n GLY 126 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2g2k n TYR 127 N -2.00 0.00 -2.57 1.61 4.19 -1.26 -4.55 117.16 112.58 2g2k n TYR 127 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2g2k n TYR 127 Cb 0.00 -0.13 0.00 0.00 0.49 0.00 0.00 39.34 39.70 2g2k n TYR 127 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2g2k n ARG 128 N -1.40 -0.48 0.00 2.98 0.63 -1.24 -4.85 116.66 112.30 2g2k n ARG 128 Ca 0.00 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 2g2k n ARG 128 Cb 0.00 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.18 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2g2k n GLY 129 N 1.49 2.99 3.40 5.14 0.00 0.24 -4.87 105.19 113.58 2g2k n GLY 129 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2g2k n GLY 129 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2g2k s MET 130 N 2.32 1.42 -0.20 1.61 1.75 -1.26 -1.83 119.30 123.11 2g2k s MET 130 Ca 0.00 -1.41 -0.28 0.00 -1.25 0.00 0.00 55.69 52.75 2g2k s MET 130 Cb 0.00 -1.83 0.00 0.00 2.84 0.00 0.00 34.83 35.84 2g2k s MET 130 CO 0.00 0.42 0.99 -1.17 -0.65 0.00 0.00 175.02 174.61 2g2k s LEU 131 N -2.30 4.13 0.00 4.11 0.20 -1.23 -4.07 118.68 119.52 2g2k s LEU 131 Ca 0.16 1.35 0.00 0.00 0.69 0.00 0.00 54.13 56.33 2g2k s LEU 131 Cb -0.09 -3.48 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 2g2k s LEU 131 CO 0.07 -0.59 0.00 0.47 -0.29 0.00 0.00 176.35 176.01 2g2k n ASP 132 N 5.97 0.00 -0.86 3.68 8.00 -1.26 -4.98 116.55 127.10 2g2k n ASP 132 Ca 0.10 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.68 2g2k n ASP 132 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2g2k n THR 133 N 0.00 0.00 0.00 -3.53 -1.04 -1.26 -4.83 114.28 103.61 2g2k n THR 133 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2g2k n THR 133 Cb 0.00 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2g2k n THR 133 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2g2k n HIS 134 N -2.44 0.00 -0.60 -1.42 8.25 -1.26 -4.97 115.22 112.77 2g2k n HIS 134 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 2g2k n HIS 134 Cb 0.26 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.54 2g2k n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2g2k n HIS 135 N 0.00 -1.86 -3.41 4.41 8.25 -1.26 -4.88 115.22 116.46 2g2k n HIS 135 Ca 0.00 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 2g2k n HIS 135 Cb 0.00 -1.48 -0.02 0.00 1.12 0.00 0.00 29.99 29.61 2g2k n HIS 135 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2g2k s LYS 136 N -3.50 3.88 0.00 -0.41 -0.14 -1.26 -4.81 119.74 113.49 2g2k s LYS 136 Ca 0.49 -3.11 0.30 0.00 -1.36 0.00 0.00 55.97 52.30 2g2k s LYS 136 Cb -0.09 -4.39 1.46 0.00 -1.68 0.00 0.00 37.83 33.13 2g2k s LYS 136 CO 0.54 -1.25 2.00 1.47 -0.76 0.00 0.00 175.35 177.35 2g2k n LEU 137 N 2.83 0.24 -0.13 3.17 -0.00 -1.26 -3.83 117.00 118.02 2g2k n LEU 137 Ca 0.21 0.09 -0.09 0.00 -0.00 0.00 0.00 56.01 56.23 2g2k n LEU 137 Cb 0.40 -0.18 -0.01 0.00 -0.00 0.00 0.00 43.42 43.63 2g2k n LEU 137 CO 0.42 0.04 0.94 0.00 -0.00 0.00 0.00 177.39 178.80 2g2k h THR 139 N 0.49 1.26 -0.22 0.00 1.35 -1.98 0.36 112.91 114.17 2g2k h THR 139 Ca 0.13 -0.84 0.02 0.00 -0.55 0.00 0.00 66.41 65.18 2g2k h THR 139 Cb 0.14 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 66.86 2g2k h THR 139 CO -0.01 0.34 0.08 -0.26 -0.25 0.00 0.00 175.52 175.42 2g2k h PHE 140 N 1.15 0.15 -0.38 4.73 -1.00 -1.71 -2.41 116.94 117.48 2g2k h PHE 140 Ca 0.26 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.93 2g2k h PHE 140 Cb 0.23 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2g2k h PHE 140 CO 0.02 0.07 -0.27 -0.84 -1.61 0.00 0.00 178.31 175.69 2g2k h ILE 141 N 0.19 1.28 0.00 -0.55 3.07 -1.19 -2.65 117.51 117.67 2g2k h ILE 141 Ca 0.10 -1.43 0.00 0.00 1.55 0.00 0.00 64.86 65.08 2g2k h ILE 141 Cb 0.06 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 2g2k h ILE 141 CO -0.09 0.47 0.29 -0.07 -1.05 0.00 0.00 178.15 177.70 2g2k h LEU 142 N 0.65 0.00 0.00 0.16 3.38 0.18 0.18 115.31 119.86 2g2k h LEU 142 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2g2k h LEU 142 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2g2k h LEU 142 CO 0.07 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.89 2g2k n LYS 143 N -2.28 0.22 -0.47 1.13 2.85 -0.98 -4.79 118.16 113.85 2g2k n LYS 143 Ca -0.01 0.14 -0.28 0.00 -1.05 0.00 0.00 58.31 57.10 2g2k n LYS 143 Cb 0.31 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.46 2g2k n LYS 143 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2g2k n ASN 144 N -1.27 -2.04 -4.80 -5.58 0.23 0.63 -4.96 115.26 97.47 2g2k n ASN 144 Ca 0.07 -0.23 -0.32 0.00 -0.53 0.00 0.00 54.58 53.57 2g2k n ASN 144 Cb 0.11 -1.21 0.04 0.00 -2.08 0.00 0.00 39.78 36.64 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2g2k s PRO 145 N -4.31 2.97 0.49 -0.53 0.04 -1.26 -5.01 135.00 127.39 2g2k s PRO 145 Ca 0.68 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 2g2k s PRO 145 Cb -0.24 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 2g2k s PRO 145 CO 0.66 -1.09 1.08 -1.25 0.04 0.00 0.00 177.00 176.44 2g2k s PRO 146 N -4.46 3.68 -1.00 0.56 0.04 -1.26 -4.97 135.00 127.59 2g2k s PRO 146 Ca 0.62 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 2g2k s PRO 146 Cb -0.16 -2.14 0.31 0.00 0.04 0.00 0.00 34.50 32.55 2g2k s PRO 146 CO 0.45 -0.55 1.54 0.39 0.04 0.00 0.00 177.00 178.87 2g2k n GLU 147 N -0.94 4.67 -3.69 4.56 1.02 -1.26 -4.95 120.64 120.05 2g2k n GLU 147 Ca 0.09 -4.63 -0.18 0.00 -0.02 0.00 0.00 57.16 52.42 2g2k n GLU 147 Cb 0.51 -2.46 -0.17 0.00 -0.02 0.00 0.00 31.44 29.30 2g2k n GLU 147 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2g2k s ASN 148 N -1.77 0.86 0.00 1.62 2.47 -1.26 -4.98 114.94 111.87 2g2k s ASN 148 Ca 0.36 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.75 2g2k s ASN 148 Cb 0.12 -0.06 0.00 0.00 -1.45 0.00 0.00 41.25 39.87 2g2k s ASN 148 CO -0.01 -0.23 0.00 -0.24 -3.72 0.00 0.00 177.10 172.91 2g2k n SER 149 N 5.08 0.00 -3.67 -4.21 2.88 -1.26 -5.14 113.62 107.30 2g2k n SER 149 Ca -0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 2g2k n SER 149 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 2g2k n SER 149 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2g2k s ASP 150 N 0.00 -0.39 -0.20 -3.46 1.01 -1.26 -5.16 116.67 107.21 2g2k s ASP 150 Ca 0.00 1.01 -0.32 0.00 0.71 0.00 0.00 52.55 53.95 2g2k s ASP 150 Cb 0.00 1.21 0.15 0.00 1.01 0.00 0.00 42.92 45.29 2g2k s ASP 150 CO 0.00 -0.22 1.19 -0.55 0.21 0.00 0.00 175.17 175.80 2g2k s SER 151 N 2.22 -0.17 0.00 0.27 0.15 -1.26 -5.11 113.70 109.81 2g2k s SER 151 Ca -0.05 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2g2k s SER 151 Cb -0.11 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2g2k s SER 151 CO -0.13 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2g2k n GLY 152 N 0.29 -1.03 2.27 9.45 0.00 -1.26 -5.06 105.19 109.84 2g2k n GLY 152 Ca -0.03 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 2g2k n GLY 152 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2g2k n THR 153 N -0.01 0.08 -2.85 2.61 5.66 -1.26 -5.11 114.28 113.41 2g2k n THR 153 Ca 0.00 -4.51 0.06 0.00 -3.05 0.00 0.00 64.05 56.55 2g2k n THR 153 Cb 0.00 -1.05 -0.02 0.00 -1.55 0.00 0.00 70.33 67.71 2g2k n THR 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g2k n GLY 154 N 0.66 -1.68 6.57 1.09 0.00 -1.26 -4.69 105.19 105.86 2g2k n GLY 154 Ca 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2g2k n GLY 154 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2g2k n LYS 155 N -2.15 0.00 0.00 1.61 4.81 -1.26 -5.27 118.16 115.90 2g2k n LYS 155 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 2g2k n LYS 155 Cb 0.21 0.00 0.92 0.00 0.02 0.00 0.00 35.03 36.18 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74