#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 -4.67 1.96 3.41 -1.26 -4.83 113.62 108.23 2g2k n SER 2 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2g2k n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2g2k n SER 2 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2g2k s VAL 3 N 0.00 3.31 0.78 -3.33 1.01 -1.26 -4.99 120.40 115.92 2g2k s VAL 3 Ca 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2g2k s VAL 3 Cb 0.00 -3.38 0.13 0.00 0.00 0.00 0.00 36.38 33.13 2g2k s VAL 3 CO 0.00 -0.03 1.09 0.21 0.00 0.00 0.00 175.10 176.37 2g2k s ASN 4 N 2.91 4.13 0.26 3.32 2.47 -1.26 -4.98 114.94 121.79 2g2k s ASN 4 Ca 0.74 0.02 0.03 0.00 0.42 0.00 0.00 52.86 54.07 2g2k s ASN 4 Cb -0.37 -0.38 0.35 0.00 -1.45 0.00 0.00 41.25 39.41 2g2k s ASN 4 CO 0.31 -2.03 1.65 0.58 -3.72 0.00 0.00 177.10 173.90 2g2k h VAL 5 N -0.85 1.31 -4.33 -5.21 2.07 -2.03 -3.49 116.25 103.72 2g2k h VAL 5 Ca -0.41 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2g2k h VAL 5 Cb 1.27 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2g2k h VAL 5 CO 0.44 0.47 -0.92 0.59 0.02 0.00 0.00 177.57 178.18 2g2k n ASN 6 N -4.03 -8.68 -0.14 0.57 4.13 -1.26 -4.27 115.26 101.58 2g2k n ASN 6 Ca -0.01 1.40 -0.06 0.00 1.68 0.00 0.00 54.58 57.58 2g2k n ASN 6 Cb 0.49 -4.98 0.11 0.00 -1.54 0.00 0.00 39.78 33.87 2g2k n ASN 6 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2g2k h ARG 7 N 4.03 0.88 0.00 3.52 1.12 -1.99 -2.49 114.38 119.46 2g2k h ARG 7 Ca 0.00 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 2g2k h ARG 7 Cb 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 2g2k h ARG 7 CO 0.00 0.89 -0.26 0.45 -3.11 0.00 0.00 179.97 177.94 2g2k n SER 8 N -4.19 0.59 -1.22 -3.80 2.88 -1.26 -5.04 113.62 101.58 2g2k n SER 8 Ca 0.03 0.31 0.14 0.00 -1.33 0.00 0.00 58.87 58.02 2g2k n SER 8 Cb 0.33 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.42 2g2k n SER 8 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2g2k n VAL 9 N -1.98 -0.30 -0.78 2.46 0.31 -0.94 -4.79 118.33 112.31 2g2k n VAL 9 Ca 0.05 0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 2g2k n VAL 9 Cb 0.41 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2g2k n VAL 9 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2g2k n MET 10 N -3.86 0.00 -1.69 5.55 0.00 -1.26 -4.30 117.12 111.57 2g2k n MET 10 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.21 2g2k n MET 10 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.77 2g2k n MET 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2g2k n ASP 11 N -3.84 3.60 0.09 6.12 8.00 -1.26 -4.89 116.55 124.37 2g2k n ASP 11 Ca 0.00 1.05 -0.22 0.00 0.71 0.00 0.00 54.79 56.33 2g2k n ASP 11 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 39.47 2g2k n ASP 11 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2g2k h GLN 12 N 6.93 0.56 -4.03 -1.24 7.50 -1.90 -3.48 115.11 119.45 2g2k h GLN 12 Ca -0.45 -0.79 0.01 0.00 0.50 0.00 0.00 58.65 57.91 2g2k h GLN 12 Cb 1.23 0.27 -0.07 0.00 0.05 0.00 0.00 27.48 28.96 2g2k h GLN 12 CO 0.93 1.36 -0.84 0.34 -1.50 0.00 0.00 178.83 179.12 2g2k n PHE 13 N -3.85 -2.34 0.00 2.96 -0.00 -1.26 -5.01 117.46 107.96 2g2k n PHE 13 Ca -0.14 1.36 0.00 0.00 -0.00 0.00 0.00 57.45 58.67 2g2k n PHE 13 Cb 0.97 -2.77 0.00 0.00 -0.00 0.00 0.00 39.48 37.68 2g2k n PHE 13 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 2g2k n TYR 14 N 0.88 0.00 0.00 -5.13 0.18 -1.26 -5.09 117.16 106.74 2g2k n TYR 14 Ca -0.22 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.56 2g2k n TYR 14 Cb 0.34 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2g2k n ARG 15 N 0.00 0.00 -3.82 -3.48 3.00 -1.26 -5.08 116.66 106.02 2g2k n ARG 15 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 2g2k n ARG 15 Cb 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 32.46 31.98 2g2k n ARG 15 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 2g2k s TYR 16 N -1.00 3.37 0.27 -0.14 1.13 -1.26 -5.09 117.35 114.63 2g2k s TYR 16 Ca 0.00 0.26 0.09 0.00 -1.41 0.00 0.00 57.07 56.01 2g2k s TYR 16 Cb 0.00 -2.12 -0.05 0.00 -1.10 0.00 0.00 41.96 38.68 2g2k s TYR 16 CO 0.00 0.27 -0.13 0.21 -2.51 0.00 0.00 175.55 173.40 2g2k s LYS 17 N 0.28 1.58 -0.69 -3.49 2.20 -1.26 -5.04 119.74 113.32 2g2k s LYS 17 Ca 0.07 -1.76 -0.08 0.00 -0.36 0.00 0.00 55.97 53.83 2g2k s LYS 17 Cb -0.11 -1.42 0.18 0.00 -1.51 0.00 0.00 37.83 34.97 2g2k s LYS 17 CO -0.01 0.17 0.57 -1.64 -0.36 0.00 0.00 175.35 174.09 2g2k s MET 18 N -3.62 3.01 -0.06 4.03 -1.94 -1.26 -4.90 119.30 114.55 2g2k s MET 18 Ca 0.28 -2.41 -0.24 0.00 -1.71 0.00 0.00 55.69 51.61 2g2k s MET 18 Cb -0.00 -4.06 -0.19 0.00 2.01 0.00 0.00 34.83 32.59 2g2k s MET 18 CO 0.12 -1.23 0.98 -1.00 -0.01 0.00 0.00 175.02 173.89 2g2k h PRO 19 N 7.52 -0.10 0.00 2.03 0.13 -2.03 -3.48 132.00 136.07 2g2k h PRO 19 Ca 0.01 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2g2k h PRO 19 Cb 1.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2g2k h PRO 19 CO 0.75 0.44 0.00 0.54 -0.23 0.00 0.00 178.00 179.50 2g2k n ARG 20 N -4.85 0.00 -3.43 0.86 5.12 -1.26 -5.09 116.66 108.01 2g2k n ARG 20 Ca -0.08 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.45 2g2k n ARG 20 Cb 0.29 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.51 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2g2k s LEU 21 N -3.92 4.09 -0.03 0.55 0.20 -1.26 -4.80 118.68 113.50 2g2k s LEU 21 Ca 0.00 0.34 0.04 0.00 0.69 0.00 0.00 54.13 55.20 2g2k s LEU 21 Cb 0.00 -2.41 -0.00 0.00 -0.43 0.00 0.00 46.19 43.35 2g2k s LEU 21 CO 0.00 -0.11 -0.14 -0.51 -0.29 0.00 0.00 176.35 175.30 2g2k s ILE 22 N 1.64 1.17 -0.04 6.68 2.07 -1.26 -4.72 121.20 126.74 2g2k s ILE 22 Ca 0.15 -0.58 0.04 0.00 -1.41 0.00 0.00 60.65 58.85 2g2k s ILE 22 Cb -0.15 -1.01 -0.00 0.00 0.13 0.00 0.00 42.46 41.42 2g2k s ILE 22 CO 0.08 0.34 -0.17 0.00 -1.91 0.00 0.00 174.94 173.28 2g2k s ALA 23 N 0.04 1.55 -0.06 1.50 0.00 -1.26 -3.40 121.76 120.12 2g2k s ALA 23 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2g2k s ALA 23 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2g2k s ALA 23 CO 0.01 0.28 -0.18 0.21 0.00 0.00 0.00 175.76 176.09 2g2k s LYS 24 N 0.02 2.59 -0.16 0.00 2.47 -0.44 -4.69 119.74 119.53 2g2k s LYS 24 Ca -0.03 -0.77 -0.08 0.00 -1.56 0.00 0.00 55.97 53.52 2g2k s LYS 24 Cb -0.11 -2.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.89 2g2k s LYS 24 CO 0.02 0.50 0.13 0.14 0.16 0.00 0.00 175.35 176.30 2g2k s VAL 25 N -0.43 5.42 0.33 4.02 -7.23 -1.26 -0.50 120.40 120.75 2g2k s VAL 25 Ca 0.05 0.18 0.09 0.00 -1.81 0.00 0.00 61.98 60.49 2g2k s VAL 25 Cb -0.12 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 2g2k s VAL 25 CO 0.02 0.53 0.10 -0.70 -0.31 0.00 0.00 175.10 174.74 2g2k s GLU 26 N -0.36 2.31 -1.01 4.82 2.12 -0.91 -4.92 118.70 120.75 2g2k s GLU 26 Ca 0.11 -1.57 -0.01 0.00 0.36 0.00 0.00 54.97 53.86 2g2k s GLU 26 Cb -0.12 -2.13 0.32 0.00 0.26 0.00 0.00 34.13 32.47 2g2k s GLU 26 CO 0.01 0.14 1.70 0.41 -0.54 0.00 0.00 175.26 176.99 2g2k n GLY 27 N -1.08 5.93 3.31 -1.50 0.00 -1.26 -3.28 105.19 107.29 2g2k n GLY 27 Ca -0.04 -2.61 -0.10 0.00 0.00 0.00 0.00 46.02 43.27 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 -3.99 1.05 4.56 1.61 2.20 -1.26 -4.95 119.74 118.96 2g2k s LYS 28 Ca 0.38 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2g2k s LYS 28 Cb 0.17 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.94 2g2k s LYS 28 CO -0.08 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2g2k n GLY 29 N -0.20 1.64 0.15 5.54 0.00 -1.26 -3.66 105.19 107.39 2g2k n GLY 29 Ca -0.15 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.28 2g2k n GLY 29 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2g2k h ASN 30 N 0.00 0.00 0.00 1.61 -1.24 -1.97 -3.47 115.58 110.51 2g2k h ASN 30 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2g2k h ASN 30 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2g2k h ASN 30 CO 0.00 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 2g2k n GLY 31 N 1.19 0.89 3.11 1.57 0.00 -1.24 -5.06 105.19 105.64 2g2k n GLY 31 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2g2k n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2g2k s ILE 32 N 0.00 -0.61 -0.05 -0.61 -4.36 -1.25 -4.45 121.20 109.86 2g2k s ILE 32 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.32 2g2k s ILE 32 Cb 0.00 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 2g2k s ILE 32 CO 0.00 0.00 0.22 -0.54 0.24 0.00 0.00 174.94 174.86 2g2k s LYS 33 N 2.62 3.55 -0.33 0.37 1.02 -1.21 -1.38 119.74 124.38 2g2k s LYS 33 Ca 0.18 -0.06 -0.15 0.00 0.02 0.00 0.00 55.97 55.96 2g2k s LYS 33 Cb -0.04 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2g2k s LYS 33 CO -0.21 0.72 0.36 0.99 -0.92 0.00 0.00 175.35 176.29 2g2k s THR 34 N -1.15 5.17 -0.28 2.17 2.01 0.16 -2.13 115.64 121.58 2g2k s THR 34 Ca 0.21 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 2g2k s THR 34 Cb -0.13 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2g2k s THR 34 CO 0.11 -0.06 0.11 0.54 -0.69 0.00 0.00 174.62 174.63 2g2k s VAL 35 N 2.03 4.47 -0.38 3.82 0.11 0.35 0.15 120.40 130.95 2g2k s VAL 35 Ca 0.12 -0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 58.71 2g2k s VAL 35 Cb -0.16 -3.19 0.01 0.00 -1.53 0.00 0.00 36.38 31.50 2g2k s VAL 35 CO 0.12 0.20 0.45 -0.63 -3.33 0.00 0.00 175.10 171.91 2g2k s ILE 36 N 1.62 5.07 -1.60 7.04 1.01 -1.20 -1.33 121.20 131.80 2g2k s ILE 36 Ca 0.05 -0.02 0.29 0.00 0.00 0.00 0.00 60.65 60.98 2g2k s ILE 36 Cb -0.16 -3.97 0.48 0.00 0.01 0.00 0.00 42.46 38.82 2g2k s ILE 36 CO 0.05 -0.29 1.91 1.33 0.00 0.00 0.00 174.94 177.94 2g2k n VAL 37 N 5.41 0.00 1.14 2.92 0.24 -1.22 -3.27 118.33 123.56 2g2k n VAL 37 Ca -0.07 -0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.31 2g2k n VAL 37 Cb 0.48 -0.19 0.22 0.00 -1.47 0.00 0.00 33.84 32.88 2g2k n VAL 37 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2g2k n ASN 38 N -1.03 2.51 -0.30 -1.34 4.05 -1.26 -4.36 115.26 113.53 2g2k n ASN 38 Ca 0.15 -1.82 0.06 0.00 0.45 0.00 0.00 54.58 53.41 2g2k n ASN 38 Cb 0.27 0.02 0.21 0.00 1.23 0.00 0.00 39.78 41.50 2g2k n ASN 38 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 2g2k h MET 39 N 3.90 0.67 -0.70 1.20 2.86 -1.91 -0.23 114.93 120.72 2g2k h MET 39 Ca 0.00 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2g2k h MET 39 Cb 0.84 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2g2k h MET 39 CO 0.00 0.45 0.18 0.28 1.06 0.00 0.00 176.91 178.88 2g2k h VAL 40 N 0.69 1.26 -0.15 -2.22 2.07 -1.86 -0.67 116.25 115.38 2g2k h VAL 40 Ca 0.44 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2g2k h VAL 40 Cb 0.55 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2g2k h VAL 40 CO -0.32 0.36 0.02 0.44 0.02 0.00 0.00 177.57 178.10 2g2k h ASP 41 N 1.05 0.24 -0.44 0.57 5.19 -1.41 -2.41 116.42 119.21 2g2k h ASP 41 Ca 0.22 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 2g2k h ASP 41 Cb 0.35 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 2g2k h ASP 41 CO -0.00 0.44 0.20 0.58 -3.12 0.00 0.00 179.24 177.34 2g2k h VAL 42 N 0.03 1.19 -0.69 -1.35 2.07 -0.99 -2.39 116.25 114.12 2g2k h VAL 42 Ca 0.04 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.09 2g2k h VAL 42 Cb 0.30 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2g2k h VAL 42 CO 0.00 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.26 2g2k h ALA 43 N 1.04 1.89 -0.55 1.67 0.00 -1.05 -0.28 119.26 121.97 2g2k h ALA 43 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2g2k h ALA 43 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2g2k h ALA 43 CO -0.02 -0.03 0.22 -0.22 0.00 0.00 0.00 179.25 179.20 2g2k h LYS 44 N 0.57 0.80 -0.27 0.00 1.63 -0.90 2.01 116.57 120.41 2g2k h LYS 44 Ca 0.32 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 2g2k h LYS 44 Cb 0.48 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2g2k h LYS 44 CO -0.10 0.66 -0.29 0.00 -3.45 0.00 0.00 179.45 176.27 2g2k h ALA 45 N 1.45 1.01 -0.07 5.00 0.00 -0.95 -3.01 119.26 122.68 2g2k h ALA 45 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2g2k h ALA 45 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2g2k h ALA 45 CO -0.02 0.59 0.00 1.47 0.00 0.00 0.00 179.25 181.30 2g2k n LEU 46 N -4.09 2.64 0.00 0.00 -0.00 -0.88 -4.97 117.00 109.69 2g2k n LEU 46 Ca -0.01 -1.09 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 2g2k n LEU 46 Cb 0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 2g2k n LEU 46 CO 0.43 0.48 0.00 -3.20 -0.00 0.00 0.00 177.39 175.10 2g2k n ASN 47 N 1.06 0.00 -4.80 1.45 4.05 0.68 -4.89 115.26 112.81 2g2k n ASN 47 Ca 0.12 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.80 2g2k n ASN 47 Cb 0.47 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.43 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2g2k s ARG 48 N 0.00 4.14 0.44 1.20 3.52 -1.24 -4.69 118.95 122.32 2g2k s ARG 48 Ca 0.00 1.35 -0.23 0.00 -0.13 0.00 0.00 55.73 56.73 2g2k s ARG 48 Cb 0.00 -2.37 -0.08 0.00 -1.56 0.00 0.00 34.95 30.94 2g2k s ARG 48 CO 0.00 -0.14 1.07 -1.25 -0.81 0.00 0.00 175.30 174.17 2g2k s PRO 49 N -2.80 3.97 0.00 5.12 0.04 -1.26 -4.52 135.00 135.55 2g2k s PRO 49 Ca 0.60 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.22 2g2k s PRO 49 Cb -0.17 -2.38 0.36 0.00 0.04 0.00 0.00 34.50 32.36 2g2k s PRO 49 CO 0.21 -0.31 1.03 -0.35 0.04 0.00 0.00 177.00 177.63 2g2k n PRO 50 N -0.43 0.77 -0.19 0.56 -0.04 -1.26 -3.71 135.00 130.70 2g2k n PRO 50 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2g2k n PRO 50 Cb 0.50 -1.12 0.16 0.00 -0.04 0.00 0.00 33.50 33.00 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 1.23 0.12 0.52 1.35 -1.98 0.38 112.91 114.53 2g2k h THR 51 Ca 0.00 -0.75 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 2g2k h THR 51 Cb 0.00 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 2g2k h THR 51 CO 0.00 0.30 -0.06 0.22 -0.25 0.00 0.00 175.52 175.73 2g2k h TYR 52 N 0.95 -0.15 0.00 4.73 5.03 -1.99 -3.09 116.97 122.45 2g2k h TYR 52 Ca 0.22 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.53 2g2k h TYR 52 Cb 0.21 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2g2k h TYR 52 CO 0.02 0.29 0.00 -1.00 -1.32 0.00 0.00 178.16 176.14 2g2k h PRO 53 N -0.65 0.00 0.00 1.82 0.13 -1.79 -2.66 132.00 128.85 2g2k h PRO 53 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2g2k h PRO 53 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2g2k h PRO 53 CO 0.03 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 178.95 2g2k h THR 54 N 0.00 0.00 -0.09 1.56 2.02 -0.16 -3.04 112.91 113.20 2g2k h THR 54 Ca 0.00 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 2g2k h THR 54 Cb 0.42 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2g2k h THR 54 CO 0.00 0.00 -0.37 0.50 0.37 0.00 0.00 175.52 176.02 2g2k h LYS 55 N 0.00 0.41 -0.29 6.66 3.64 -1.52 -2.74 116.57 122.74 2g2k h LYS 55 Ca 0.00 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2g2k h LYS 55 Cb 0.56 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2g2k h LYS 55 CO 0.00 0.95 -0.03 1.88 -2.27 0.00 0.00 179.45 179.98 2g2k h TYR 56 N -0.03 0.59 -0.66 1.91 -1.99 -1.71 -2.73 116.97 112.35 2g2k h TYR 56 Ca -0.02 -0.11 0.05 0.00 2.00 0.00 0.00 58.73 60.64 2g2k h TYR 56 Cb 1.01 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 39.54 2g2k h TYR 56 CO 0.12 0.70 0.38 0.74 -0.00 0.00 0.00 178.16 180.10 2g2k h PHE 57 N 0.30 0.70 -0.55 4.88 0.04 -1.61 -0.91 116.94 119.80 2g2k h PHE 57 Ca 0.08 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.89 2g2k h PHE 57 Cb 0.49 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 2g2k h PHE 57 CO 0.04 0.36 0.37 0.78 -0.60 0.00 0.00 178.31 179.26 2g2k h GLY 58 N 0.72 0.75 0.87 -1.45 0.00 -1.37 -1.53 103.07 101.06 2g2k h GLY 58 Ca 0.29 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.43 2g2k h GLY 58 CO -0.16 0.25 0.54 0.00 0.00 0.00 0.00 176.54 177.17 2g2k h GLU 60 N 0.85 0.18 -0.07 0.00 4.81 -1.20 -2.81 114.58 116.33 2g2k h GLU 60 Ca 0.37 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2g2k h GLU 60 Cb 0.32 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2g2k h GLU 60 CO -0.14 0.53 0.00 1.47 -0.73 0.00 0.00 179.01 180.14 2g2k n LEU 61 N -4.76 0.07 0.00 1.64 -0.00 -0.94 -4.80 117.00 108.21 2g2k n LEU 61 Ca -0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2g2k n LEU 61 Cb 0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2g2k n LEU 61 CO 0.36 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.38 2g2k n GLY 62 N 0.36 0.32 3.66 1.47 0.00 -0.69 -4.95 105.19 105.37 2g2k n GLY 62 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.86 3.26 0.00 4.61 0.00 -0.03 -4.96 121.76 122.80 2g2k s ALA 63 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2g2k s ALA 63 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2g2k s ALA 63 CO 0.00 0.11 0.00 0.94 0.00 0.00 0.00 175.76 176.81 2g2k n GLN 64 N -0.99 0.00 -4.04 0.00 7.27 -1.26 -2.89 117.38 115.47 2g2k n GLN 64 Ca -0.04 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.93 2g2k n GLN 64 Cb 0.61 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.20 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2g2k s THR 65 N 2.85 0.00 -0.06 1.69 -4.23 -1.26 -3.47 115.64 111.15 2g2k s THR 65 Ca 0.00 -1.53 -0.05 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 0.16 -1.58 -0.54 0.00 0.00 174.62 172.66 2g2k s GLN 66 N -4.03 0.18 0.01 3.99 0.74 0.57 -4.70 119.66 116.43 2g2k s GLN 66 Ca 0.26 0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.96 2g2k s GLN 66 Cb 0.01 0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.17 2g2k s GLN 66 CO 0.10 -0.03 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.57 2g2k s PHE 67 N 0.18 1.51 -0.17 1.67 0.08 -1.26 -0.91 117.98 119.08 2g2k s PHE 67 Ca -0.01 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2g2k s PHE 67 Cb -0.02 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2g2k s PHE 67 CO -0.00 0.02 -0.11 0.34 -0.10 0.00 0.00 175.22 175.36 2g2k s ASP 68 N -0.75 2.95 -0.07 1.36 -1.08 -0.48 -4.98 116.67 113.62 2g2k s ASP 68 Ca 0.06 -0.65 -0.02 0.00 -0.52 0.00 0.00 52.55 51.41 2g2k s ASP 68 Cb -0.07 -1.15 -0.01 0.00 -1.46 0.00 0.00 42.92 40.23 2g2k s ASP 68 CO 0.00 -0.11 -0.05 0.58 0.52 0.00 0.00 175.17 176.12 2g2k h VAL 69 N 6.23 0.00 0.00 1.11 2.07 -1.94 1.30 116.25 125.02 2g2k h VAL 69 Ca -0.32 -0.58 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 0.49 0.00 0.20 0.11 0.02 0.00 0.00 177.57 178.38 2g2k h LYS 70 N -0.58 0.00 0.00 1.57 6.56 -1.99 0.21 116.57 122.34 2g2k h LYS 70 Ca 0.00 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 2g2k h LYS 70 Cb 0.14 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.74 2g2k h LYS 70 CO 0.00 0.00 -2.25 0.09 -2.06 0.00 0.00 179.45 175.23 2g2k n ASN 71 N -2.50 0.78 -0.44 0.86 3.02 -1.24 -4.98 115.26 110.75 2g2k n ASN 71 Ca -0.02 -0.02 -0.06 0.00 -0.03 0.00 0.00 54.58 54.46 2g2k n ASN 71 Cb 0.23 0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 40.13 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 -2.75 -4.33 -4.38 6.41 8.00 0.44 -4.98 116.55 114.96 2g2k n ASP 72 Ca -0.31 0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 2g2k n ASP 72 Cb 1.07 -2.33 -0.14 0.00 -0.02 0.00 0.00 41.12 39.69 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2g2k s ARG 73 N -2.03 3.41 -0.14 -1.24 3.00 -1.04 -4.92 118.95 115.99 2g2k s ARG 73 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 55.73 55.05 2g2k s ARG 73 Cb 0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 34.95 32.28 2g2k s ARG 73 CO 0.00 0.21 -0.10 0.71 0.00 0.00 0.00 175.30 176.11 2g2k s TYR 74 N 0.37 2.87 0.12 -0.53 2.02 -1.26 -1.38 117.35 119.56 2g2k s TYR 74 Ca -0.10 -0.59 0.10 0.00 -0.37 0.00 0.00 57.07 56.11 2g2k s TYR 74 Cb -0.16 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2g2k s TYR 74 CO 0.05 -0.20 -0.26 0.42 -1.57 0.00 0.00 175.55 174.00 2g2k s ILE 75 N 0.43 2.17 -0.14 2.71 1.01 -0.09 -3.26 121.20 124.02 2g2k s ILE 75 Ca -0.08 -1.71 -0.01 0.00 0.00 0.00 0.00 60.65 58.84 2g2k s ILE 75 Cb -0.15 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2g2k s ILE 75 CO 0.04 0.08 -0.11 0.68 0.00 0.00 0.00 174.94 175.63 2g2k s VAL 76 N -1.07 3.24 0.40 2.92 -7.23 0.41 0.21 120.40 119.28 2g2k s VAL 76 Ca 0.13 -0.59 -0.23 0.00 -1.81 0.00 0.00 61.98 59.47 2g2k s VAL 76 Cb -0.10 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 2g2k s VAL 76 CO 0.06 0.51 0.72 0.59 -0.31 0.00 0.00 175.10 176.66 2g2k n ASN 77 N 3.62 -0.10 0.00 4.85 3.02 -1.23 -0.15 115.26 125.27 2g2k n ASN 77 Ca -0.18 0.97 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 2g2k n ASN 77 Cb 0.52 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 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 1.58 1.59 3.62 7.41 0.00 -0.72 -4.50 105.19 114.16 2g2k n GLY 78 Ca 0.11 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.30 5.83 0.04 1.61 1.04 -0.48 0.36 113.70 121.80 2g2k s SER 79 Ca 0.00 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 2g2k s SER 79 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 2g2k s SER 79 CO 0.00 0.09 0.03 -1.00 0.98 0.00 0.00 173.24 173.34 2g2k s HIS 80 N 0.89 0.34 0.05 5.02 3.76 -1.26 -4.99 115.29 119.10 2g2k s HIS 80 Ca 0.06 -0.75 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 2g2k s HIS 80 Cb -0.13 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 2g2k s HIS 80 CO 0.03 -0.36 0.11 -2.00 -0.85 0.00 0.00 174.74 171.66 2g2k s GLU 81 N -3.08 3.05 0.30 1.40 2.12 -1.26 -4.73 118.70 116.50 2g2k s GLU 81 Ca -0.01 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.80 2g2k s GLU 81 Cb 0.02 -2.83 0.70 0.00 0.26 0.00 0.00 34.13 32.28 2g2k s GLU 81 CO -0.07 0.60 1.80 0.00 -0.54 0.00 0.00 175.26 177.05 2g2k h ALA 82 N 3.49 1.65 -0.25 6.30 0.00 -1.84 0.21 119.26 128.82 2g2k h ALA 82 Ca -0.47 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2g2k h ALA 82 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2g2k h ALA 82 CO 0.67 0.02 -0.07 -0.97 0.00 0.00 0.00 179.25 178.89 2g2k h ASN 83 N 0.82 0.37 -0.06 0.00 -1.24 -1.94 -2.57 115.58 110.96 2g2k h ASN 83 Ca 0.55 -0.07 -0.17 0.00 0.71 0.00 0.00 56.30 57.31 2g2k h ASN 83 Cb 0.79 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 2g2k h ASN 83 CO -0.34 0.49 -0.57 0.11 -1.29 0.00 0.00 177.43 175.83 2g2k h LYS 84 N 0.37 0.66 -0.42 6.67 1.79 -1.00 -1.92 116.57 122.72 2g2k h LYS 84 Ca 0.08 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 2g2k h LYS 84 Cb 0.37 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2g2k h LYS 84 CO 0.02 1.05 0.16 -0.07 -1.08 0.00 0.00 179.45 179.53 2g2k h LEU 85 N 0.50 0.59 -0.75 2.94 3.38 -0.95 0.99 115.31 122.01 2g2k h LEU 85 Ca 0.00 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 2g2k h LEU 85 Cb 1.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2g2k h LEU 85 CO 0.11 0.61 -0.29 0.06 0.09 0.00 0.00 178.44 179.02 2g2k h GLN 86 N 0.54 0.62 -0.38 1.13 3.07 -1.47 -0.49 115.11 118.14 2g2k h GLN 86 Ca 0.14 -0.27 -0.12 0.00 0.09 0.00 0.00 58.65 58.49 2g2k h GLN 86 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2g2k h GLN 86 CO -0.01 0.84 -0.24 -0.44 0.09 0.00 0.00 178.83 179.08 2g2k h ASP 87 N 0.53 0.86 0.00 0.06 3.32 -1.01 -1.05 116.42 119.14 2g2k h ASP 87 Ca 0.07 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 2g2k h ASP 87 Cb 0.78 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2g2k h ASP 87 CO 0.06 1.10 -0.00 -0.03 -1.72 0.00 0.00 179.24 178.65 2g2k h MET 88 N 0.63 -0.00 -0.55 3.56 4.05 -0.69 -2.56 114.93 119.37 2g2k h MET 88 Ca 0.08 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.65 2g2k h MET 88 Cb 0.80 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.58 2g2k h MET 88 CO 0.07 0.56 0.39 -0.07 0.23 0.00 0.00 176.91 178.09 2g2k h LEU 89 N -0.56 0.04 -1.23 3.39 -0.00 -1.13 0.26 115.31 116.07 2g2k h LEU 89 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2g2k h LEU 89 Cb 0.56 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2g2k h LEU 89 CO 0.00 0.02 0.19 0.44 -0.00 0.00 0.00 178.44 179.09 2g2k h ASP 90 N 0.04 0.66 -0.58 -0.43 3.32 -0.78 -2.14 116.42 116.51 2g2k h ASP 90 Ca 0.26 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2g2k h ASP 90 Cb 0.99 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 2g2k h ASP 90 CO -0.01 0.60 0.31 1.23 -1.72 0.00 0.00 179.24 179.64 2g2k h GLY 91 N 0.86 0.88 0.57 2.75 0.00 -0.26 0.34 103.07 108.22 2g2k h GLY 91 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2g2k h GLY 91 CO -0.02 0.39 -0.03 -2.75 0.00 0.00 0.00 176.54 174.14 2g2k h PHE 92 N 0.79 -0.08 -0.48 5.60 3.04 -1.48 -3.18 116.94 121.15 2g2k h PHE 92 Ca 0.20 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 2g2k h PHE 92 Cb 0.07 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 2g2k h PHE 92 CO -0.01 0.34 0.05 -0.84 -2.02 0.00 0.00 178.31 175.83 2g2k h ILE 93 N -0.51 1.23 -0.40 1.41 -0.00 -1.33 -2.33 117.51 115.59 2g2k h ILE 93 Ca -0.01 -0.89 0.12 0.00 -0.00 0.00 0.00 64.86 64.07 2g2k h ILE 93 Cb 0.45 0.80 -0.02 0.00 -0.00 0.00 0.00 36.82 38.05 2g2k h ILE 93 CO 0.01 0.32 0.34 0.11 -0.00 0.00 0.00 178.15 178.93 2g2k h LYS 94 N 0.73 0.00 -0.72 0.16 1.57 -0.30 0.42 116.57 118.43 2g2k h LYS 94 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2g2k h LYS 94 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2g2k h LYS 94 CO 0.01 0.00 0.31 0.87 -0.57 0.00 0.00 179.45 180.06 2g2k h LYS 95 N 0.00 1.05 0.00 3.15 1.57 -1.40 -3.28 116.57 117.66 2g2k h LYS 95 Ca 0.19 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2g2k h LYS 95 Cb 0.87 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2g2k h LYS 95 CO -0.00 0.84 -0.97 1.97 -0.57 0.00 0.00 179.45 180.72 2g2k n PHE 96 N -4.30 0.00 -0.00 -1.35 1.16 -0.57 -4.72 117.46 107.67 2g2k n PHE 96 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.52 2g2k n PHE 96 Cb 0.17 -0.08 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 2g2k n PHE 96 CO 0.00 0.00 0.00 -0.39 -1.87 0.00 0.00 176.76 174.50 2g2k h VAL 97 N 0.00 1.33 -4.14 1.97 -1.51 -0.32 -3.49 116.25 110.09 2g2k h VAL 97 Ca 0.00 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 2g2k h VAL 97 Cb 0.19 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2g2k h VAL 97 CO 0.00 0.26 0.00 0.18 -1.23 0.00 0.00 177.57 176.78 2g2k n LEU 98 N -4.89 -3.14 -4.74 4.19 7.99 -1.24 -4.79 117.00 110.39 2g2k n LEU 98 Ca -0.08 0.64 -0.35 0.00 -0.01 0.00 0.00 56.01 56.21 2g2k n LEU 98 Cb 0.23 -1.03 0.06 0.00 -0.11 0.00 0.00 43.42 42.56 2g2k n LEU 98 CO 0.33 -1.89 0.81 0.00 -1.51 0.00 0.00 177.39 175.13 2g2k n PRO 100 N -2.12 0.52 -0.07 0.00 -0.04 -1.26 -3.16 135.00 128.87 2g2k n PRO 100 Ca 0.13 0.03 -0.05 0.00 -0.04 0.00 0.00 63.50 63.57 2g2k n PRO 100 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.00 0.00 0.54 4.39 -2.00 -3.47 114.58 114.04 2g2k h GLU 101 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2g2k h GLU 101 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2g2k h GLU 101 CO 0.00 0.18 -0.02 0.00 -1.16 0.00 0.00 179.01 178.01 2g2k n GLU 103 N 0.00 -1.71 -0.04 0.00 4.07 -1.19 -4.76 120.64 117.00 2g2k n GLU 103 Ca -0.02 0.07 -0.03 0.00 -0.06 0.00 0.00 57.16 57.11 2g2k n GLU 103 Cb 0.19 -4.25 -0.01 0.00 -0.06 0.00 0.00 31.44 27.31 2g2k n GLU 103 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2g2k n ASN 104 N -1.82 1.03 -4.79 4.31 3.02 -1.26 -4.92 115.26 110.83 2g2k n ASN 104 Ca 0.06 0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.62 2g2k n ASN 104 Cb 0.44 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.83 3.66 -0.23 3.52 0.04 -1.26 -4.95 135.00 133.95 2g2k s PRO 105 Ca -0.11 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 2g2k s PRO 105 Cb 0.02 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2g2k s PRO 105 CO 0.17 -0.57 1.61 -1.21 0.04 0.00 0.00 177.00 177.03 2g2k s GLU 106 N -3.18 3.79 0.25 4.56 2.02 -1.26 -4.89 118.70 119.98 2g2k s GLU 106 Ca 0.69 1.64 0.08 0.00 0.02 0.00 0.00 54.97 57.40 2g2k s GLU 106 Cb -0.20 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 2g2k s GLU 106 CO 0.24 -1.30 0.07 0.95 0.02 0.00 0.00 175.26 175.24 2g2k s THR 107 N 5.20 3.85 0.08 3.63 -4.23 -1.26 -4.49 115.64 118.42 2g2k s THR 107 Ca 0.71 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.63 2g2k s THR 107 Cb -0.25 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 2g2k s THR 107 CO 0.29 -0.34 -0.22 1.51 -0.54 0.00 0.00 174.62 175.32 2g2k s ASP 108 N -3.66 2.72 -0.18 3.99 -4.77 -1.24 -4.74 116.67 108.78 2g2k s ASP 108 Ca 0.32 -0.63 -0.06 0.00 -3.30 0.00 0.00 52.55 48.88 2g2k s ASP 108 Cb -0.07 -0.19 -0.03 0.00 -1.09 0.00 0.00 42.92 41.53 2g2k s ASP 108 CO 0.22 0.14 0.03 -0.22 0.70 0.00 0.00 175.17 176.03 2g2k s LEU 109 N -1.61 3.56 -0.19 2.11 0.20 -1.26 -3.68 118.68 117.82 2g2k s LEU 109 Ca 0.09 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.89 2g2k s LEU 109 Cb -0.10 -1.89 0.04 0.00 -0.43 0.00 0.00 46.19 43.81 2g2k s LEU 109 CO 0.03 0.15 -0.11 -1.38 -0.29 0.00 0.00 176.35 174.75 2g2k s HIS 110 N 0.50 2.38 -0.24 5.38 -3.43 -1.05 -5.01 115.29 113.82 2g2k s HIS 110 Ca 0.01 -1.53 -0.14 0.00 -0.80 0.00 0.00 55.06 52.60 2g2k s HIS 110 Cb -0.13 -1.64 -0.04 0.00 -1.43 0.00 0.00 32.58 29.34 2g2k s HIS 110 CO 0.02 -0.73 0.30 0.54 -2.00 0.00 0.00 174.74 172.87 2g2k s VAL 111 N 1.41 5.25 -0.22 -5.38 0.11 -1.26 -1.15 120.40 119.15 2g2k s VAL 111 Ca -0.00 0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 59.32 2g2k s VAL 111 Cb -0.16 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 2g2k s VAL 111 CO -0.09 0.25 0.57 0.20 -3.33 0.00 0.00 175.10 172.70 2g2k s ASN 112 N 1.32 6.58 0.11 3.54 0.01 -0.13 -4.95 114.94 121.42 2g2k s ASN 112 Ca 0.13 0.70 -0.12 0.00 -0.71 0.00 0.00 52.86 52.87 2g2k s ASN 112 Cb -0.15 -2.31 -0.13 0.00 0.41 0.00 0.00 41.25 39.06 2g2k s ASN 112 CO 0.08 -0.26 1.32 1.55 -1.51 0.00 0.00 177.10 178.28 2g2k h PRO 113 N 7.63 0.76 -0.79 -0.60 0.13 -1.96 0.26 132.00 137.44 2g2k h PRO 113 Ca -0.31 -0.62 0.02 0.00 -0.87 0.00 0.00 66.00 64.21 2g2k h PRO 113 Cb 1.14 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2g2k h PRO 113 CO 0.75 1.23 0.51 0.87 -0.23 0.00 0.00 178.00 181.14 2g2k h LYS 114 N 0.52 1.00 -0.01 0.86 1.57 -1.96 -1.81 116.57 116.74 2g2k h LYS 114 Ca -0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2g2k h LYS 114 Cb 1.40 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2g2k h LYS 114 CO 0.16 0.66 -0.24 1.63 -0.57 0.00 0.00 179.45 181.09 2g2k n LYS 115 N -4.56 1.14 -3.92 3.15 4.76 -1.22 -4.94 118.16 112.56 2g2k n LYS 115 Ca 0.08 -0.75 -0.29 0.00 -2.87 0.00 0.00 58.31 54.48 2g2k n LYS 115 Cb 0.05 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.77 2g2k n LYS 115 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2g2k n GLN 116 N -0.27 -5.09 -4.26 1.97 0.00 0.01 -4.95 117.38 104.78 2g2k n GLN 116 Ca 0.13 0.57 -0.17 0.00 -0.00 0.00 0.00 57.00 57.53 2g2k n GLN 116 Cb 0.39 -5.35 -0.09 0.00 0.00 0.00 0.00 30.24 25.18 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2g2k s THR 117 N -3.39 0.01 -0.04 1.69 -4.23 -0.80 -5.01 115.64 103.87 2g2k s THR 117 Ca 0.54 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2g2k s THR 117 Cb -0.27 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2g2k s THR 117 CO 0.84 0.00 -0.21 -0.63 -0.54 0.00 0.00 174.62 174.08 2g2k s ILE 118 N -3.69 1.72 0.28 2.99 1.01 -1.26 -0.96 121.20 121.29 2g2k s ILE 118 Ca 0.40 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2g2k s ILE 118 Cb 0.04 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 2g2k s ILE 118 CO 0.22 0.49 -0.08 -0.83 0.00 0.00 0.00 174.94 174.74 2g2k s GLY 119 N -0.13 1.80 -0.09 6.18 0.00 -0.30 -3.42 107.32 111.36 2g2k s GLY 119 Ca -0.02 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 2g2k s GLY 119 CO 0.02 -1.84 0.17 0.21 0.00 0.00 0.00 173.10 171.66 2g2k s ASN 120 N -3.62 0.57 -0.08 1.64 2.47 -0.69 -2.53 114.94 112.70 2g2k s ASN 120 Ca 0.31 0.35 0.04 0.00 0.42 0.00 0.00 52.86 53.99 2g2k s ASN 120 Cb -0.05 0.30 -0.01 0.00 -1.45 0.00 0.00 41.25 40.04 2g2k s ASN 120 CO 0.18 -0.23 -0.22 -0.94 -3.72 0.00 0.00 177.10 172.17 2g2k s SER 121 N 2.11 3.30 -0.12 -4.21 1.04 -1.24 -0.34 113.70 114.24 2g2k s SER 121 Ca 0.01 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 2g2k s SER 121 Cb -0.12 -1.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.87 2g2k s SER 121 CO -0.06 0.22 -0.06 0.00 0.98 0.00 0.00 173.24 174.32 2g2k n LYS 123 N 3.02 1.47 0.00 0.00 2.85 -1.26 -3.05 118.16 121.18 2g2k n LYS 123 Ca -0.18 -0.74 0.00 0.00 -1.05 0.00 0.00 58.31 56.34 2g2k n LYS 123 Cb 0.53 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2g2k n ALA 124 N 1.29 1.69 -1.52 0.58 0.00 -1.26 -4.87 120.51 116.42 2g2k n ALA 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2g2k n ALA 124 Cb 0.59 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 2.43 0.00 0.00 0.00 -1.17 -4.90 105.19 101.54 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 -0.95 1.61 4.19 -1.25 -4.69 117.16 114.07 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 -0.14 0.00 0.00 0.49 0.00 0.00 39.34 39.69 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 -1.68 -0.10 0.00 2.98 0.63 -1.24 -4.84 116.66 112.40 2g2k n ARG 128 Ca 0.00 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 2g2k n ARG 128 Cb 0.00 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.72 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 0.82 0.59 3.40 5.14 0.00 0.54 -4.90 105.19 110.79 2g2k n GLY 129 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 1.83 1.44 -0.49 1.61 1.75 -1.26 -1.70 119.30 122.49 2g2k s MET 130 Ca 0.00 -1.42 -0.21 0.00 -1.25 0.00 0.00 55.69 52.81 2g2k s MET 130 Cb 0.00 -1.87 0.04 0.00 2.84 0.00 0.00 34.83 35.84 2g2k s MET 130 CO 0.00 0.43 0.71 -1.17 -0.65 0.00 0.00 175.02 174.34 2g2k s LEU 131 N -2.30 4.57 0.00 4.11 2.96 -1.22 -4.11 118.68 122.69 2g2k s LEU 131 Ca 0.17 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2g2k s LEU 131 Cb -0.09 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 43.93 2g2k s LEU 131 CO 0.07 -0.93 0.00 0.47 -1.32 0.00 0.00 176.35 174.65 2g2k n ASP 132 N 6.52 -3.19 0.00 3.68 8.00 -1.26 -4.38 116.55 125.92 2g2k n ASP 132 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2g2k n ASP 132 Cb 0.47 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 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 -2.03 0.00 -2.71 -3.53 -1.04 -1.26 -2.87 114.28 100.83 2g2k n THR 133 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2g2k n THR 133 Cb 0.26 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.00 -2.23 -1.97 -1.42 8.25 -1.26 -4.86 115.22 111.73 2g2k n HIS 134 Ca 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 57.72 55.84 2g2k n HIS 134 Cb 0.00 1.48 0.00 0.00 1.12 0.00 0.00 29.99 32.59 2g2k n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2g2k n HIS 135 N 0.74 0.00 -4.24 4.41 -0.00 -1.14 -4.94 115.22 110.05 2g2k n HIS 135 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.60 2g2k n HIS 135 Cb 0.70 0.19 -0.06 0.00 -0.00 0.00 0.00 29.99 30.82 2g2k n HIS 135 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2g2k n LYS 136 N 0.00 0.35 -0.02 1.57 4.01 -1.26 -4.98 118.16 117.83 2g2k n LYS 136 Ca 0.00 -2.62 0.21 0.00 -0.51 0.00 0.00 58.31 55.39 2g2k n LYS 136 Cb 0.53 2.08 0.47 0.00 -0.51 0.00 0.00 35.03 37.59 2g2k n LYS 136 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2g2k h LEU 137 N 0.00 0.00 -0.14 -0.35 5.85 -1.96 0.56 115.31 119.27 2g2k h LEU 137 Ca -0.19 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2g2k h LEU 137 Cb 0.94 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2g2k h LEU 137 CO 0.28 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 178.29 2g2k h THR 139 N -0.09 1.23 -0.14 0.00 2.02 -1.21 0.31 112.91 115.03 2g2k h THR 139 Ca 0.09 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2g2k h THR 139 Cb 0.22 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2g2k h THR 139 CO -0.20 0.31 0.06 0.15 0.37 0.00 0.00 175.52 176.22 2g2k h PHE 140 N 0.72 0.20 -0.41 3.16 3.04 -1.19 -2.20 116.94 120.26 2g2k h PHE 140 Ca 0.15 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.96 2g2k h PHE 140 Cb 0.36 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 2g2k h PHE 140 CO 0.02 0.25 -0.27 -0.84 -2.02 0.00 0.00 178.31 175.45 2g2k h ILE 141 N 0.09 1.28 -0.53 1.41 3.07 -0.05 2.02 117.51 124.80 2g2k h ILE 141 Ca 0.05 -1.43 0.10 0.00 1.55 0.00 0.00 64.86 65.12 2g2k h ILE 141 Cb 0.13 1.29 -0.08 0.00 -0.27 0.00 0.00 36.82 37.89 2g2k h ILE 141 CO -0.01 0.48 0.08 0.25 -1.05 0.00 0.00 178.15 177.91 2g2k h LEU 142 N 0.73 -0.05 0.00 0.16 5.85 -0.16 -3.32 115.31 118.52 2g2k h LEU 142 Ca 0.08 0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.72 2g2k h LEU 142 Cb 0.85 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2g2k h LEU 142 CO 0.07 -0.00 -1.72 1.17 -0.34 0.00 0.00 178.44 177.62 2g2k n LYS 143 N -5.15 0.60 0.00 1.25 4.81 -0.85 -5.05 118.16 113.78 2g2k n LYS 143 Ca 0.07 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2g2k n LYS 143 Cb 0.27 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.07 2g2k n LYS 143 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g2k n ASN 144 N -2.80 0.00 -4.78 3.14 5.03 0.68 -5.08 115.26 111.46 2g2k n ASN 144 Ca -0.22 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 54.94 2g2k n ASN 144 Cb 0.75 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.62 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2g2k s PRO 145 N 0.00 1.69 0.00 3.52 0.04 -1.24 -4.33 135.00 134.68 2g2k s PRO 145 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2g2k s PRO 145 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2g2k s PRO 145 CO 0.00 -1.89 0.00 -0.35 0.04 0.00 0.00 177.00 174.80 2g2k n PRO 146 N -3.61 0.67 -1.26 0.56 -0.04 -1.26 -3.74 135.00 126.31 2g2k n PRO 146 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2g2k n PRO 146 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2g2k n PRO 146 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2g2k n GLU 147 N -0.25 1.41 -1.10 0.54 0.00 -1.26 -4.76 120.64 115.22 2g2k n GLU 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2g2k n GLU 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2g2k n GLU 147 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2g2k n ASN 148 N -1.24 0.00 -4.46 4.31 2.85 -1.26 -5.11 115.26 110.34 2g2k n ASN 148 Ca 0.00 -0.60 -0.43 0.00 -0.11 0.00 0.00 54.58 53.43 2g2k n ASN 148 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 2g2k n ASN 148 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2g2k s SER 149 N -0.13 6.18 0.60 1.20 1.04 -1.26 -5.04 113.70 116.29 2g2k s SER 149 Ca 0.00 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 2g2k s SER 149 Cb 0.00 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 63.94 2g2k s SER 149 CO 0.00 -0.62 0.24 -0.90 0.98 0.00 0.00 173.24 172.94 2g2k n ASP 150 N 5.54 0.23 -2.49 7.02 5.75 -1.26 -4.89 116.55 126.45 2g2k n ASP 150 Ca -0.09 -1.21 -0.03 0.00 -0.01 0.00 0.00 54.79 53.45 2g2k n ASP 150 Cb 0.46 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 2g2k n ASP 150 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2g2k n SER 151 N -3.03 -4.57 -4.51 -1.12 7.64 -1.26 -4.52 113.62 102.24 2g2k n SER 151 Ca 0.04 1.60 -0.39 0.00 1.01 0.00 0.00 58.87 61.13 2g2k n SER 151 Cb 0.13 -5.28 -0.12 0.00 -1.01 0.00 0.00 64.21 57.93 2g2k n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g2k n GLY 152 N 1.79 -0.31 0.21 0.23 0.00 -1.26 -4.69 105.19 101.16 2g2k n GLY 152 Ca -0.24 0.98 0.15 0.00 0.00 0.00 0.00 46.02 46.91 2g2k n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g2k h THR 153 N 7.89 0.00 0.00 2.61 1.03 -1.93 -3.48 112.91 119.04 2g2k h THR 153 Ca -0.10 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 2g2k h THR 153 Cb 1.29 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 2g2k h THR 153 CO 1.33 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 177.45 2g2k n GLY 154 N -0.68 2.25 0.00 2.99 0.00 -1.26 -5.12 105.19 103.36 2g2k n GLY 154 Ca -0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2g2k n GLY 154 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2g2k n LYS 155 N 1.52 0.41 0.00 1.61 2.85 -1.26 -5.27 118.16 118.01 2g2k n LYS 155 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2g2k n LYS 155 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2g2k n LYS 155 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98