#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2k s SER 2 N 0.00 5.85 -0.48 -1.43 1.04 -1.26 -5.06 113.70 112.36 2g2k s SER 2 Ca 0.00 0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.71 2g2k s SER 2 Cb 0.00 -1.49 0.27 0.00 0.10 0.00 0.00 66.02 64.90 2g2k s SER 2 CO 0.00 -0.67 0.96 0.55 0.98 0.00 0.00 173.24 175.06 2g2k n VAL 3 N -2.02 -0.02 -2.78 5.02 3.14 -1.26 -5.12 118.33 115.30 2g2k n VAL 3 Ca 0.01 -1.58 -0.42 0.00 -2.96 0.00 0.00 64.34 59.39 2g2k n VAL 3 Cb 0.58 1.41 -0.03 0.00 -1.06 0.00 0.00 33.84 34.74 2g2k n VAL 3 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2g2k s ASN 4 N -1.55 7.24 0.50 6.55 4.22 -1.26 -4.92 114.94 125.73 2g2k s ASN 4 Ca 0.29 1.51 0.31 0.00 -2.14 0.00 0.00 52.86 52.83 2g2k s ASN 4 Cb 0.25 -2.53 1.21 0.00 1.28 0.00 0.00 41.25 41.46 2g2k s ASN 4 CO -0.18 -0.29 1.91 0.58 -2.04 0.00 0.00 177.10 177.09 2g2k h VAL 5 N 4.90 0.00 -2.47 3.54 2.07 -2.00 -3.45 116.25 118.84 2g2k h VAL 5 Ca -0.38 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 2g2k h VAL 5 Cb 1.19 1.50 -0.16 0.00 -1.52 0.00 0.00 31.29 32.30 2g2k h VAL 5 CO 0.78 0.00 0.17 0.21 0.02 0.00 0.00 177.57 178.75 2g2k s ASN 6 N -5.57 -0.59 0.25 0.57 3.04 -1.26 -5.03 114.94 106.35 2g2k s ASN 6 Ca 0.02 0.38 -0.01 0.00 0.04 0.00 0.00 52.86 53.30 2g2k s ASN 6 Cb 0.09 0.55 0.29 0.00 -1.54 0.00 0.00 41.25 40.64 2g2k s ASN 6 CO 0.54 -0.75 1.67 -0.09 -3.04 0.00 0.00 177.10 175.43 2g2k h ARG 7 N 2.62 0.60 0.00 0.43 9.65 -1.95 -2.34 114.38 123.39 2g2k h ARG 7 Ca -0.30 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 2g2k h ARG 7 Cb 1.21 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2g2k h ARG 7 CO 0.39 0.81 0.00 0.45 2.80 0.00 0.00 179.97 184.42 2g2k n SER 8 N -4.10 0.53 0.00 -3.80 2.88 -1.26 -4.87 113.62 102.99 2g2k n SER 8 Ca -0.00 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2g2k n SER 8 Cb 0.43 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -2.05 0.00 0.00 2.46 0.31 -0.88 -3.93 118.33 114.24 2g2k n VAL 9 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2g2k n VAL 9 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 0.00 0.00 -3.90 5.55 0.00 -1.26 -4.64 117.12 112.87 2g2k n MET 10 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.70 57.38 2g2k n MET 10 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 33.22 32.71 2g2k n MET 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2g2k s ASP 11 N -2.83 6.37 0.32 6.12 -1.08 -1.25 -4.99 116.67 119.33 2g2k s ASP 11 Ca 0.00 0.33 0.12 0.00 -0.52 0.00 0.00 52.55 52.48 2g2k s ASP 11 Cb 0.00 -1.99 0.54 0.00 -1.46 0.00 0.00 42.92 40.01 2g2k s ASP 11 CO 0.00 0.22 1.71 1.56 0.52 0.00 0.00 175.17 179.19 2g2k h GLN 12 N 3.52 0.00 -5.37 4.34 7.50 -1.89 -3.41 115.11 119.79 2g2k h GLN 12 Ca -0.47 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.65 2g2k h GLN 12 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.71 2g2k h GLN 12 CO 0.72 0.49 -0.75 1.19 -1.50 0.00 0.00 178.83 178.98 2g2k n PHE 13 N -3.89 -3.47 0.00 2.96 3.01 -1.26 -4.83 117.46 109.98 2g2k n PHE 13 Ca -0.01 1.46 0.00 0.00 1.01 0.00 0.00 57.45 59.90 2g2k n PHE 13 Cb 0.52 -3.77 0.00 0.00 -0.01 0.00 0.00 39.48 36.22 2g2k n PHE 13 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2g2k n TYR 14 N 0.13 0.00 -0.08 1.38 4.11 -1.26 -5.00 117.16 116.44 2g2k n TYR 14 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.79 2g2k n TYR 14 Cb 0.32 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.54 2g2k n TYR 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2g2k h ARG 15 N 0.00 0.00 -5.54 -3.48 9.65 -2.03 -3.45 114.38 109.53 2g2k h ARG 15 Ca 0.00 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 58.23 2g2k h ARG 15 Cb 0.00 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.49 2g2k h ARG 15 CO 0.00 0.96 -0.49 1.52 2.80 0.00 0.00 179.97 184.77 2g2k s TYR 16 N -2.26 3.54 -0.05 2.20 1.13 -1.26 -5.09 117.35 115.55 2g2k s TYR 16 Ca -0.22 0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.91 2g2k s TYR 16 Cb 0.01 -2.00 0.02 0.00 -1.10 0.00 0.00 41.96 38.89 2g2k s TYR 16 CO 0.63 0.61 -0.06 0.21 -2.51 0.00 0.00 175.55 174.42 2g2k s LYS 17 N -0.63 1.05 0.12 -3.49 2.20 -1.26 -4.95 119.74 112.77 2g2k s LYS 17 Ca 0.13 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2g2k s LYS 17 Cb -0.12 -0.98 -0.04 0.00 -1.51 0.00 0.00 37.83 35.18 2g2k s LYS 17 CO 0.02 -0.05 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.15 2g2k s MET 18 N 0.85 1.08 0.02 4.03 -1.94 -1.26 -5.05 119.30 117.03 2g2k s MET 18 Ca -0.12 -1.21 -0.20 0.00 -1.71 0.00 0.00 55.69 52.44 2g2k s MET 18 Cb -0.15 -1.14 -0.19 0.00 2.01 0.00 0.00 34.83 35.37 2g2k s MET 18 CO 0.01 0.24 1.20 -1.00 -0.01 0.00 0.00 175.02 175.47 2g2k h PRO 19 N 3.74 0.38 0.00 2.03 0.13 -2.08 -3.48 132.00 132.71 2g2k h PRO 19 Ca -0.42 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2g2k h PRO 19 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2g2k h PRO 19 CO 0.46 0.93 0.00 -2.13 -0.23 0.00 0.00 178.00 177.03 2g2k n ARG 20 N -4.39 0.00 -2.78 0.86 0.63 -1.26 -4.30 116.66 105.41 2g2k n ARG 20 Ca -0.08 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.43 2g2k n ARG 20 Cb 0.51 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.39 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2g2k s LEU 21 N 0.00 4.22 -0.22 6.15 1.98 -1.26 -5.02 118.68 124.52 2g2k s LEU 21 Ca 0.00 1.37 -0.13 0.00 -2.89 0.00 0.00 54.13 52.48 2g2k s LEU 21 Cb 0.00 -3.41 -0.04 0.00 0.66 0.00 0.00 46.19 43.40 2g2k s LEU 21 CO 0.00 -0.41 0.27 -0.51 -1.89 0.00 0.00 176.35 173.81 2g2k s ILE 22 N 2.01 5.28 -0.08 6.68 1.10 -1.26 -4.58 121.20 130.35 2g2k s ILE 22 Ca 0.44 0.43 0.00 0.00 -0.51 0.00 0.00 60.65 61.01 2g2k s ILE 22 Cb -0.18 -3.61 -0.03 0.00 0.15 0.00 0.00 42.46 38.80 2g2k s ILE 22 CO 0.16 0.30 -0.07 0.00 -2.11 0.00 0.00 174.94 173.21 2g2k s ALA 23 N 1.18 2.94 -0.05 1.50 0.00 -1.26 -4.64 121.76 121.43 2g2k s ALA 23 Ca 0.13 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2g2k s ALA 23 Cb -0.14 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2g2k s ALA 23 CO 0.06 0.51 -0.19 0.21 0.00 0.00 0.00 175.76 176.35 2g2k s LYS 24 N -0.58 2.52 -0.22 0.00 2.20 -1.11 -4.68 119.74 117.87 2g2k s LYS 24 Ca 0.09 -0.79 -0.14 0.00 -0.36 0.00 0.00 55.97 54.77 2g2k s LYS 24 Cb -0.12 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 2g2k s LYS 24 CO 0.02 0.52 0.32 0.54 -0.36 0.00 0.00 175.35 176.38 2g2k s VAL 25 N -0.47 5.25 0.08 4.02 0.11 -1.26 0.44 120.40 128.57 2g2k s VAL 25 Ca 0.06 0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 59.61 2g2k s VAL 25 Cb -0.12 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2g2k s VAL 25 CO 0.01 0.28 0.02 -0.70 -3.33 0.00 0.00 175.10 171.39 2g2k s GLU 26 N 1.24 0.72 0.00 1.54 2.12 0.85 -4.81 118.70 120.36 2g2k s GLU 26 Ca 0.15 -1.24 0.00 0.00 0.36 0.00 0.00 54.97 54.24 2g2k s GLU 26 Cb -0.14 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2g2k s GLU 26 CO 0.07 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2g2k n GLY 27 N 0.04 -1.35 3.33 -1.50 0.00 -1.26 -0.82 105.19 103.62 2g2k n GLY 27 Ca -0.12 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.50 0.25 1.61 2.20 -1.26 -4.78 119.74 118.26 2g2k s LYS 28 Ca 0.00 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2g2k s LYS 28 Cb 0.00 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 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 2.99 0.29 0.01 5.54 0.00 -1.26 -0.74 105.19 112.02 2g2k n GLY 29 Ca -0.14 0.77 0.11 0.00 0.00 0.00 0.00 46.02 46.75 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 1.22 0.15 -2.26 1.61 5.15 -1.26 -5.06 115.26 114.80 2g2k n ASN 30 Ca 0.00 -0.13 -0.03 0.00 -0.60 0.00 0.00 54.58 53.81 2g2k n ASN 30 Cb 0.00 1.84 -0.03 0.00 -0.53 0.00 0.00 39.78 41.06 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 -4.47 0.95 8.20 0.00 0.08 -4.76 105.19 106.47 2g2k n GLY 31 Ca -0.03 1.01 0.08 0.00 0.00 0.00 0.00 46.02 47.09 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 1.07 0.97 -3.77 -0.61 2.08 -1.23 -4.00 119.36 113.88 2g2k n ILE 32 Ca -0.25 -0.99 -0.28 0.00 0.56 0.00 0.00 62.75 61.79 2g2k n ILE 32 Cb 0.39 0.52 -0.04 0.00 -0.75 0.00 0.00 39.64 39.77 2g2k n ILE 32 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2g2k s LYS 33 N -1.01 3.51 -0.30 0.38 2.20 -0.00 -0.47 119.74 124.05 2g2k s LYS 33 Ca 0.34 -0.35 -0.13 0.00 -0.36 0.00 0.00 55.97 55.47 2g2k s LYS 33 Cb 0.18 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2g2k s LYS 33 CO 0.24 0.47 0.27 0.99 -0.36 0.00 0.00 175.35 176.95 2g2k s THR 34 N -1.75 5.25 -0.27 3.43 2.01 0.27 -0.11 115.64 124.47 2g2k s THR 34 Ca 0.38 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 2g2k s THR 34 Cb -0.12 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2g2k s THR 34 CO 0.28 0.13 0.07 0.54 -0.69 0.00 0.00 174.62 174.94 2g2k s VAL 35 N 1.86 4.05 -0.27 3.82 0.11 0.17 0.20 120.40 130.35 2g2k s VAL 35 Ca 0.09 -0.46 -0.15 0.00 -2.93 0.00 0.00 61.98 58.53 2g2k s VAL 35 Cb -0.16 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 2g2k s VAL 35 CO 0.11 0.22 0.36 -0.51 -3.33 0.00 0.00 175.10 171.94 2g2k s ILE 36 N 1.55 5.18 -0.11 7.04 1.10 -1.03 -2.76 121.20 132.18 2g2k s ILE 36 Ca 0.04 0.53 0.19 0.00 -0.51 0.00 0.00 60.65 60.91 2g2k s ILE 36 Cb -0.16 -3.69 -0.28 0.00 0.15 0.00 0.00 42.46 38.48 2g2k s ILE 36 CO 0.02 0.16 0.27 0.52 -2.11 0.00 0.00 174.94 173.80 2g2k n VAL 37 N 5.12 0.65 1.18 4.00 0.31 -1.26 -4.27 118.33 124.06 2g2k n VAL 37 Ca -0.09 -0.65 0.12 0.00 -0.01 0.00 0.00 64.34 63.71 2g2k n VAL 37 Cb 0.51 -0.22 0.38 0.00 -0.91 0.00 0.00 33.84 33.59 2g2k n VAL 37 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2g2k n ASN 38 N -2.47 1.96 -0.13 4.52 5.03 -1.26 -4.22 115.26 118.69 2g2k n ASN 38 Ca -0.17 -1.70 -0.10 0.00 0.87 0.00 0.00 54.58 53.48 2g2k n ASN 38 Cb 0.83 -0.08 -0.01 0.00 -1.02 0.00 0.00 39.78 39.50 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 2g2k h MET 39 N 2.77 0.59 -0.73 3.52 4.05 -1.95 -1.99 114.93 121.20 2g2k h MET 39 Ca 0.00 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2g2k h MET 39 Cb 0.60 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 2g2k h MET 39 CO 0.00 0.61 0.48 -0.24 0.23 0.00 0.00 176.91 177.99 2g2k h VAL 40 N 0.47 1.16 -0.05 -5.77 3.04 -1.87 0.25 116.25 113.49 2g2k h VAL 40 Ca 0.12 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2g2k h VAL 40 Cb 0.27 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.66 2g2k h VAL 40 CO -0.00 0.17 0.02 -0.78 -1.01 0.00 0.00 177.57 175.97 2g2k h ASP 41 N 0.96 0.07 -0.44 3.17 3.58 -1.77 -1.48 116.42 120.50 2g2k h ASP 41 Ca 0.28 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 2g2k h ASP 41 Cb -0.07 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2g2k h ASP 41 CO -0.08 0.23 0.10 0.58 -2.88 0.00 0.00 179.24 177.19 2g2k h VAL 42 N -0.10 1.24 -0.59 2.25 2.07 -1.10 -2.71 116.25 117.31 2g2k h VAL 42 Ca 0.02 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2g2k h VAL 42 Cb 0.18 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2g2k h VAL 42 CO -0.00 0.29 0.39 0.00 0.02 0.00 0.00 177.57 178.27 2g2k h ALA 43 N 0.96 1.65 -0.10 1.67 0.00 -0.41 -0.47 119.26 122.56 2g2k h ALA 43 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2g2k h ALA 43 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2g2k h ALA 43 CO 0.00 0.30 -0.03 -0.22 0.00 0.00 0.00 179.25 179.30 2g2k h LYS 44 N 0.73 -0.01 0.00 0.00 3.64 -0.94 -1.17 116.57 118.82 2g2k h LYS 44 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2g2k h LYS 44 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2g2k h LYS 44 CO -0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.11 2g2k h ALA 45 N 1.08 1.00 -0.02 5.00 0.00 -1.38 -2.77 119.26 122.17 2g2k h ALA 45 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2g2k h ALA 45 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g2k h ALA 45 CO -0.11 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.03 2g2k n LEU 46 N -2.64 0.52 0.00 0.00 0.00 -0.23 -4.92 117.00 109.73 2g2k n LEU 46 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 56.01 55.85 2g2k n LEU 46 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.77 2g2k n LEU 46 CO 0.27 0.09 0.00 0.59 0.00 0.00 0.00 177.39 178.34 2g2k n ASN 47 N -0.55 0.00 -4.82 1.96 5.03 -0.94 -4.87 115.26 111.06 2g2k n ASN 47 Ca 0.20 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.33 2g2k n ASN 47 Cb 0.18 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.94 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2g2k s ARG 48 N 0.00 3.59 0.67 3.52 1.81 -1.26 -4.89 118.95 122.39 2g2k s ARG 48 Ca 0.00 1.06 -0.13 0.00 -1.72 0.00 0.00 55.73 54.94 2g2k s ARG 48 Cb 0.00 -2.08 0.00 0.00 -0.45 0.00 0.00 34.95 32.42 2g2k s ARG 48 CO 0.00 -0.58 1.07 -1.25 -0.68 0.00 0.00 175.30 173.87 2g2k s PRO 49 N -4.19 2.92 0.28 3.54 0.04 -1.26 -4.60 135.00 131.73 2g2k s PRO 49 Ca 0.61 1.14 0.14 0.00 0.04 0.00 0.00 61.00 62.93 2g2k s PRO 49 Cb -0.13 -1.98 0.25 0.00 0.04 0.00 0.00 34.50 32.68 2g2k s PRO 49 CO 0.36 -1.13 1.53 -1.00 0.04 0.00 0.00 177.00 176.80 2g2k h PRO 50 N -0.30 0.00 0.00 0.56 0.13 -1.88 -3.15 132.00 127.36 2g2k h PRO 50 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2g2k h PRO 50 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2g2k h PRO 50 CO 0.56 0.57 -0.01 1.79 -0.23 0.00 0.00 178.00 180.68 2g2k h THR 51 N 0.00 0.19 0.00 1.56 1.35 -1.98 -0.27 112.91 113.76 2g2k h THR 51 Ca -0.01 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2g2k h THR 51 Cb 1.27 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2g2k h THR 51 CO 0.07 0.01 -0.02 1.88 -0.25 0.00 0.00 175.52 177.21 2g2k h TYR 52 N 0.00 0.00 0.00 4.73 0.05 -1.94 -3.32 116.97 116.49 2g2k h TYR 52 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2g2k h TYR 52 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2g2k h TYR 52 CO 0.00 0.17 0.00 -0.35 -1.05 0.00 0.00 178.16 176.93 2g2k n PRO 53 N -4.75 0.63 0.17 4.88 -0.04 -1.15 -3.02 135.00 131.73 2g2k n PRO 53 Ca -0.02 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2g2k n PRO 53 Cb 0.09 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.28 2g2k n PRO 53 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 54 N 0.00 0.89 -0.09 0.52 1.35 -1.14 -2.69 112.91 111.76 2g2k h THR 54 Ca 0.00 -1.79 -0.09 0.00 -0.55 0.00 0.00 66.41 63.98 2g2k h THR 54 Cb 0.01 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2g2k h THR 54 CO 0.00 0.42 -0.30 0.50 -0.25 0.00 0.00 175.52 175.89 2g2k h LYS 55 N 0.00 0.36 -0.06 4.72 1.63 -1.73 -2.27 116.57 119.22 2g2k h LYS 55 Ca -0.00 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 2g2k h LYS 55 Cb 1.07 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2g2k h LYS 55 CO 0.06 0.90 -0.02 1.88 -3.45 0.00 0.00 179.45 178.81 2g2k h TYR 56 N -0.11 0.13 -0.89 1.91 0.05 -1.76 -2.91 116.97 113.40 2g2k h TYR 56 Ca -0.01 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.79 2g2k h TYR 56 Cb 0.93 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.58 2g2k h TYR 56 CO 0.12 0.47 0.56 0.74 -1.05 0.00 0.00 178.16 179.00 2g2k h PHE 57 N -0.24 1.04 -0.60 4.88 0.04 -1.57 -1.02 116.94 119.47 2g2k h PHE 57 Ca 0.01 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2g2k h PHE 57 Cb 0.43 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2g2k h PHE 57 CO 0.06 0.55 0.39 0.78 -0.60 0.00 0.00 178.31 179.49 2g2k h GLY 58 N 1.04 0.79 1.24 -1.45 0.00 -1.34 -1.08 103.07 102.27 2g2k h GLY 58 Ca 0.38 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2g2k h GLY 58 CO -0.16 0.24 0.49 0.00 0.00 0.00 0.00 176.54 177.11 2g2k h GLU 60 N 0.98 0.18 -0.13 0.00 4.57 -1.12 -2.64 114.58 116.42 2g2k h GLU 60 Ca 0.28 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2g2k h GLU 60 Cb -0.07 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2g2k h GLU 60 CO -0.07 0.42 0.00 1.47 -1.18 0.00 0.00 179.01 179.65 2g2k n LEU 61 N -4.83 0.13 -0.17 1.64 -0.00 -1.03 -4.80 117.00 107.94 2g2k n LEU 61 Ca -0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 56.01 55.86 2g2k n LEU 61 Cb 0.19 -0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 43.54 2g2k n LEU 61 CO 0.35 0.03 -0.02 0.61 -0.00 0.00 0.00 177.39 178.36 2g2k n GLY 62 N 0.34 0.29 3.58 1.47 0.00 -0.90 -4.94 105.19 105.03 2g2k n GLY 62 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.34 3.05 0.00 4.61 0.00 -0.22 -4.98 121.76 122.88 2g2k s ALA 63 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.96 2g2k s ALA 63 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 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 -0.85 0.00 -4.03 0.00 3.00 -1.16 -3.28 117.38 111.05 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 2g2k n GLN 64 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.81 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 3.14 0.00 -0.22 5.09 -4.23 -1.26 -4.00 115.64 114.16 2g2k s THR 65 Ca 0.00 -1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 58.81 2g2k s THR 65 Cb 0.00 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.64 2g2k s THR 65 CO 0.00 0.00 0.57 -1.58 -0.54 0.00 0.00 174.62 173.07 2g2k s GLN 66 N -4.03 0.66 0.05 3.99 -0.44 0.70 -4.12 119.66 116.47 2g2k s GLN 66 Ca 0.25 0.82 0.06 0.00 -2.50 0.00 0.00 55.36 53.99 2g2k s GLN 66 Cb 0.01 0.30 -0.02 0.00 -1.64 0.00 0.00 33.01 31.65 2g2k s GLN 66 CO 0.10 -0.09 -0.18 -0.06 0.50 0.00 0.00 175.29 175.56 2g2k s PHE 67 N 0.42 1.53 -0.21 1.67 0.08 -1.26 -0.56 117.98 119.64 2g2k s PHE 67 Ca -0.01 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2g2k s PHE 67 Cb -0.04 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2g2k s PHE 67 CO -0.01 0.08 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.55 2g2k s ASP 68 N -1.27 3.77 -0.18 1.36 1.11 -0.03 -4.94 116.67 116.49 2g2k s ASP 68 Ca 0.04 -0.80 -0.16 0.00 0.18 0.00 0.00 52.55 51.81 2g2k s ASP 68 Cb -0.09 -1.57 -0.22 0.00 1.07 0.00 0.00 42.92 42.12 2g2k s ASP 68 CO 0.02 -0.07 0.26 1.33 1.18 0.00 0.00 175.17 177.89 2g2k n VAL 69 N 4.62 1.63 1.08 -1.27 0.24 -1.26 0.32 118.33 123.68 2g2k n VAL 69 Ca -0.18 -0.26 0.10 0.00 -2.04 0.00 0.00 64.34 61.95 2g2k n VAL 69 Cb 0.48 -1.93 0.55 0.00 -1.47 0.00 0.00 33.84 31.47 2g2k n VAL 69 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2g2k n LYS 70 N -4.08 0.42 -0.00 7.34 3.00 -1.26 -3.00 118.16 120.58 2g2k n LYS 70 Ca -0.33 0.06 -0.00 0.00 -0.00 0.00 0.00 58.31 58.04 2g2k n LYS 70 Cb 0.82 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.34 2g2k n LYS 70 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2g2k n ASN 71 N -1.18 4.73 -0.50 3.14 4.05 -1.25 -5.00 115.26 119.25 2g2k n ASN 71 Ca 0.12 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.08 2g2k n ASN 71 Cb 0.13 0.69 -0.03 0.00 1.23 0.00 0.00 39.78 41.80 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2g2k n ASP 72 N -1.89 -4.33 -4.37 1.20 8.00 0.15 -4.98 116.55 110.32 2g2k n ASP 72 Ca -0.01 0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.32 2g2k n ASP 72 Cb 0.38 -2.41 -0.14 0.00 -0.02 0.00 0.00 41.12 38.93 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 -2.18 3.40 -0.16 -1.24 1.81 -1.13 -4.93 118.95 114.51 2g2k s ARG 73 Ca 0.00 -0.68 -0.04 0.00 -1.72 0.00 0.00 55.73 53.29 2g2k s ARG 73 Cb 0.00 -2.65 -0.03 0.00 -0.45 0.00 0.00 34.95 31.82 2g2k s ARG 73 CO 0.00 0.21 -0.03 0.71 -0.68 0.00 0.00 175.30 175.50 2g2k s TYR 74 N 0.38 3.02 0.09 -0.53 2.02 -1.26 -0.85 117.35 120.22 2g2k s TYR 74 Ca -0.10 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2g2k s TYR 74 Cb -0.16 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2g2k s TYR 74 CO 0.05 -0.08 -0.16 0.42 -1.57 0.00 0.00 175.55 174.22 2g2k s ILE 75 N 0.47 1.30 -0.07 2.71 1.01 0.27 -2.46 121.20 124.44 2g2k s ILE 75 Ca -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 60.65 59.19 2g2k s ILE 75 Cb -0.14 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 2g2k s ILE 75 CO 0.03 -0.22 -0.09 0.68 0.00 0.00 0.00 174.94 175.33 2g2k s VAL 76 N -1.40 3.47 0.37 2.92 -7.23 0.55 0.25 120.40 119.33 2g2k s VAL 76 Ca 0.02 -0.56 -0.28 0.00 -1.81 0.00 0.00 61.98 59.35 2g2k s VAL 76 Cb -0.09 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 2g2k s VAL 76 CO 0.03 0.59 1.42 0.21 -0.31 0.00 0.00 175.10 177.03 2g2k s ASN 77 N -0.66 6.44 0.00 4.85 2.47 -1.26 -0.57 114.94 126.21 2g2k s ASN 77 Ca 0.10 2.91 0.00 0.00 0.42 0.00 0.00 52.86 56.29 2g2k s ASN 77 Cb -0.11 -2.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 2g2k s ASN 77 CO 0.01 -0.79 0.00 0.61 -3.72 0.00 0.00 177.10 173.22 2g2k n GLY 78 N 0.58 2.48 3.66 1.21 0.00 -1.24 -3.01 105.19 108.87 2g2k n GLY 78 Ca 0.01 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 5.95 0.04 1.61 1.04 0.38 -0.64 113.70 122.09 2g2k s SER 79 Ca 0.00 0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2g2k s SER 79 Cb 0.00 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.05 2g2k s SER 79 CO 0.00 0.12 0.03 -1.00 0.98 0.00 0.00 173.24 173.38 2g2k s HIS 80 N 0.69 0.34 -0.04 5.02 3.76 -1.26 -4.99 115.29 118.80 2g2k s HIS 80 Ca 0.06 -0.75 -0.02 0.00 -0.15 0.00 0.00 55.06 54.21 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 0.01 -0.36 0.08 -1.83 -0.85 0.00 0.00 174.74 171.79 2g2k s GLU 81 N -3.09 3.13 0.30 1.40 -1.05 -1.26 -4.82 118.70 113.31 2g2k s GLU 81 Ca -0.01 -0.40 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 2g2k s GLU 81 Cb 0.02 -2.91 0.65 0.00 -0.44 0.00 0.00 34.13 31.45 2g2k s GLU 81 CO -0.07 0.68 1.82 0.00 0.95 0.00 0.00 175.26 178.65 2g2k h ALA 82 N 4.46 1.62 -0.67 -0.84 0.00 -1.83 0.77 119.26 122.77 2g2k h ALA 82 Ca -0.50 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.54 2g2k h ALA 82 Cb 1.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2g2k h ALA 82 CO 0.60 0.09 0.44 -0.97 0.00 0.00 0.00 179.25 179.42 2g2k h ASN 83 N 0.88 0.47 -0.08 0.00 -0.00 -1.94 -0.99 115.58 113.92 2g2k h ASN 83 Ca 0.52 0.01 -0.10 0.00 -0.00 0.00 0.00 56.30 56.73 2g2k h ASN 83 Cb 0.66 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.89 2g2k h ASN 83 CO -0.29 0.29 -0.33 0.50 -0.00 0.00 0.00 177.43 177.60 2g2k h LYS 84 N 0.53 0.36 -0.57 6.67 1.63 -1.26 -1.98 116.57 121.96 2g2k h LYS 84 Ca 0.31 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2g2k h LYS 84 Cb 0.50 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 2g2k h LYS 84 CO -0.10 0.92 0.36 -0.07 -3.45 0.00 0.00 179.45 177.11 2g2k h LEU 85 N -0.11 0.67 -0.74 5.20 4.07 -1.00 -2.58 115.31 120.82 2g2k h LEU 85 Ca -0.02 -0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 2g2k h LEU 85 Cb 0.97 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 2g2k h LEU 85 CO 0.07 0.51 -0.34 1.56 -1.08 0.00 0.00 178.44 179.16 2g2k h GLN 86 N 0.77 0.58 -0.41 1.13 1.08 -1.26 -2.84 115.11 114.16 2g2k h GLN 86 Ca 0.21 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2g2k h GLN 86 Cb -0.05 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 2g2k h GLN 86 CO -0.04 0.84 0.24 0.22 -0.95 0.00 0.00 178.83 179.13 2g2k h ASP 87 N 0.49 0.38 -0.05 1.46 3.58 -0.96 0.96 116.42 122.29 2g2k h ASP 87 Ca 0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2g2k h ASP 87 Cb 0.82 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2g2k h ASP 87 CO 0.07 0.28 -0.06 0.00 -2.88 0.00 0.00 179.24 176.64 2g2k h MET 88 N 0.48 0.12 -0.16 0.28 -0.00 -1.50 -2.39 114.93 111.77 2g2k h MET 88 Ca 0.16 -0.07 -0.07 0.00 -0.00 0.00 0.00 59.70 59.72 2g2k h MET 88 Cb 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2g2k h MET 88 CO -0.08 0.62 -0.22 -0.07 -0.00 0.00 0.00 176.91 177.16 2g2k h LEU 89 N -0.36 0.28 -0.50 -0.10 3.38 -1.43 -2.82 115.31 113.76 2g2k h LEU 89 Ca 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2g2k h LEU 89 Cb 0.60 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2g2k h LEU 89 CO 0.01 0.51 0.18 -0.78 0.09 0.00 0.00 178.44 178.45 2g2k h ASP 90 N 0.26 0.71 -0.15 -0.43 3.58 0.10 0.23 116.42 120.73 2g2k h ASP 90 Ca 0.04 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 2g2k h ASP 90 Cb 0.54 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2g2k h ASP 90 CO 0.04 0.71 0.08 1.23 -2.88 0.00 0.00 179.24 178.41 2g2k h GLY 91 N 0.67 0.22 0.57 -0.78 0.00 -1.18 0.52 103.07 103.09 2g2k h GLY 91 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2g2k h GLY 91 CO -0.01 0.10 -0.05 0.74 0.00 0.00 0.00 176.54 177.32 2g2k h PHE 92 N 0.12 -0.13 -0.30 5.60 -1.00 -1.42 -3.14 116.94 116.68 2g2k h PHE 92 Ca 0.05 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 2g2k h PHE 92 Cb 0.10 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 2g2k h PHE 92 CO -0.03 0.27 0.08 0.82 -1.61 0.00 0.00 178.31 177.84 2g2k h ILE 93 N -0.57 1.14 -0.15 -0.55 2.04 -0.52 -2.42 117.51 116.48 2g2k h ILE 93 Ca -0.01 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.41 2g2k h ILE 93 Cb 0.46 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2g2k h ILE 93 CO 0.02 0.17 0.13 0.11 0.00 0.00 0.00 178.15 178.59 2g2k h LYS 94 N 0.42 0.00 0.05 2.37 1.79 0.11 0.72 116.57 122.02 2g2k h LYS 94 Ca 0.10 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.21 2g2k h LYS 94 Cb 0.15 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 2g2k h LYS 94 CO -0.01 0.00 -2.06 1.17 -1.08 0.00 0.00 179.45 177.48 2g2k n LYS 95 N -4.10 0.66 -0.02 3.15 3.00 -0.92 -4.62 118.16 115.31 2g2k n LYS 95 Ca 0.01 0.30 -0.02 0.00 -0.00 0.00 0.00 58.31 58.60 2g2k n LYS 95 Cb 0.26 -1.63 -0.02 0.00 0.00 0.00 0.00 35.03 33.63 2g2k n LYS 95 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 2g2k n PHE 96 N -3.76 0.00 -0.00 5.64 -1.74 -1.19 -4.78 117.46 111.64 2g2k n PHE 96 Ca -0.39 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.37 2g2k n PHE 96 Cb 0.93 -0.14 -0.09 0.00 1.52 0.00 0.00 39.48 41.70 2g2k n PHE 96 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2g2k h VAL 97 N 0.00 1.27 0.00 1.97 2.07 -1.49 -3.33 116.25 116.74 2g2k h VAL 97 Ca -0.08 -0.81 -0.44 0.00 0.82 0.00 0.00 66.70 66.20 2g2k h VAL 97 Cb 1.14 1.79 0.10 0.00 -1.52 0.00 0.00 31.29 32.80 2g2k h VAL 97 CO -0.01 0.21 1.40 0.00 0.02 0.00 0.00 177.57 179.20 2g2k n LEU 98 N -4.91 1.17 -4.77 2.57 -0.00 0.24 -4.56 117.00 106.74 2g2k n LEU 98 Ca -0.08 -1.55 -0.41 0.00 -0.00 0.00 0.00 56.01 53.98 2g2k n LEU 98 Cb 0.19 -0.58 -0.01 0.00 -0.00 0.00 0.00 43.42 43.02 2g2k n LEU 98 CO 0.34 -1.56 1.04 0.00 -0.00 0.00 0.00 177.39 177.20 2g2k n PRO 100 N 0.56 0.11 0.09 0.00 -0.04 -1.26 -0.35 135.00 134.11 2g2k n PRO 100 Ca 0.01 0.43 -0.05 0.00 -0.04 0.00 0.00 63.50 63.85 2g2k n PRO 100 Cb 0.41 -1.75 0.13 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.22 0.00 0.54 4.39 -1.97 -3.44 114.58 114.31 2g2k h GLU 101 Ca 0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2g2k h GLU 101 Cb 0.22 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2g2k h GLU 101 CO 0.00 0.75 0.00 0.00 -1.16 0.00 0.00 179.01 178.60 2g2k n GLU 103 N 0.00 -2.52 -0.12 0.00 0.00 0.52 -4.68 120.64 113.84 2g2k n GLU 103 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 2g2k n GLU 103 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 31.44 27.36 2g2k n GLU 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2g2k n ASN 104 N -1.02 1.90 -4.74 4.31 2.85 -1.26 -4.81 115.26 112.48 2g2k n ASN 104 Ca 0.00 0.38 -0.41 0.00 -0.11 0.00 0.00 54.58 54.44 2g2k n ASN 104 Cb 0.38 -0.90 -0.04 0.00 1.24 0.00 0.00 39.78 40.46 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2g2k s PRO 105 N -2.43 4.64 0.68 1.20 0.04 -1.26 -5.02 135.00 132.85 2g2k s PRO 105 Ca -0.33 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2g2k s PRO 105 Cb 0.09 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.38 2g2k s PRO 105 CO 0.56 0.16 1.10 -1.83 0.04 0.00 0.00 177.00 177.03 2g2k s GLU 106 N -0.68 2.69 0.28 4.56 -1.05 -1.26 -4.79 118.70 118.45 2g2k s GLU 106 Ca 0.47 1.34 0.11 0.00 -0.15 0.00 0.00 54.97 56.74 2g2k s GLU 106 Cb -0.29 -1.94 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 2g2k s GLU 106 CO 0.36 -1.33 -0.14 0.95 0.95 0.00 0.00 175.26 176.05 2g2k s THR 107 N -2.47 2.68 0.27 1.83 -4.23 -1.26 -3.25 115.64 109.21 2g2k s THR 107 Ca 0.66 -2.27 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 2g2k s THR 107 Cb -0.20 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2g2k s THR 107 CO 0.45 -0.38 -0.03 -1.81 -0.54 0.00 0.00 174.62 172.31 2g2k s ASP 108 N -3.56 4.40 -0.43 3.99 1.01 -1.15 -4.94 116.67 115.98 2g2k s ASP 108 Ca 0.31 -0.72 -0.10 0.00 0.71 0.00 0.00 52.55 52.75 2g2k s ASP 108 Cb -0.05 -0.75 0.08 0.00 1.01 0.00 0.00 42.92 43.21 2g2k s ASP 108 CO 0.16 -0.01 0.29 -0.22 0.21 0.00 0.00 175.17 175.60 2g2k s LEU 109 N -3.66 5.27 -0.29 1.23 2.96 -1.26 -3.48 118.68 119.45 2g2k s LEU 109 Ca 0.31 -1.53 -0.07 0.00 -0.22 0.00 0.00 54.13 52.62 2g2k s LEU 109 Cb -0.06 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2g2k s LEU 109 CO 0.19 -0.57 0.09 -1.00 -1.32 0.00 0.00 176.35 173.74 2g2k s HIS 110 N 1.44 3.15 -0.17 5.38 3.76 0.35 -4.93 115.29 124.27 2g2k s HIS 110 Ca 0.03 -0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 54.03 2g2k s HIS 110 Cb -0.24 -2.27 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 2g2k s HIS 110 CO 0.02 -0.54 -0.04 0.14 -0.85 0.00 0.00 174.74 173.47 2g2k s VAL 111 N 1.52 3.80 -0.22 -0.90 -7.23 -1.26 -0.25 120.40 115.87 2g2k s VAL 111 Ca 0.03 -0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.66 2g2k s VAL 111 Cb -0.17 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2g2k s VAL 111 CO 0.03 0.48 0.42 0.20 -0.31 0.00 0.00 175.10 175.92 2g2k s ASN 112 N 0.55 6.41 0.23 4.85 0.01 0.16 -4.93 114.94 122.23 2g2k s ASN 112 Ca -0.03 0.49 0.07 0.00 -0.71 0.00 0.00 52.86 52.68 2g2k s ASN 112 Cb -0.14 -2.24 0.22 0.00 0.41 0.00 0.00 41.25 39.50 2g2k s ASN 112 CO 0.03 -0.14 1.53 1.55 -1.51 0.00 0.00 177.10 178.56 2g2k h PRO 113 N 7.64 0.12 -0.51 -0.60 0.13 -1.96 0.43 132.00 137.24 2g2k h PRO 113 Ca -0.34 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 2g2k h PRO 113 Cb 1.16 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2g2k h PRO 113 CO 0.70 0.75 -0.15 -0.22 -0.23 0.00 0.00 178.00 178.86 2g2k h LYS 114 N 0.08 0.99 -0.02 0.86 1.63 -1.97 -3.07 116.57 115.07 2g2k h LYS 114 Ca -0.01 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2g2k h LYS 114 Cb 1.21 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2g2k h LYS 114 CO 0.10 1.06 -0.36 1.17 -3.45 0.00 0.00 179.45 177.97 2g2k n LYS 115 N -4.13 1.48 -3.73 1.90 4.81 -1.20 -4.98 118.16 112.31 2g2k n LYS 115 Ca 0.01 -1.18 -0.22 0.00 -0.87 0.00 0.00 58.31 56.06 2g2k n LYS 115 Cb 0.42 -1.45 0.03 0.00 0.02 0.00 0.00 35.03 34.05 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 0.26 -4.70 -4.26 1.64 6.02 0.14 -4.98 117.38 111.51 2g2k n GLN 116 Ca 0.10 0.59 -0.14 0.00 -0.01 0.00 0.00 57.00 57.54 2g2k n GLN 116 Cb 0.48 -5.10 -0.10 0.00 1.02 0.00 0.00 30.24 26.54 2g2k n GLN 116 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2g2k s THR 117 N -3.70 0.57 -0.01 5.09 2.01 -0.86 -4.97 115.64 113.77 2g2k s THR 117 Ca 0.00 -1.98 0.04 0.00 0.31 0.00 0.00 61.69 60.06 2g2k s THR 117 Cb -0.00 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 2g2k s THR 117 CO 0.82 -0.28 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.69 2g2k s ILE 118 N -3.74 1.15 0.12 1.82 1.01 -1.26 -0.66 121.20 119.64 2g2k s ILE 118 Ca 0.30 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 2g2k s ILE 118 Cb 0.07 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2g2k s ILE 118 CO 0.08 0.33 0.26 -0.83 0.00 0.00 0.00 174.94 174.77 2g2k s GLY 119 N -0.28 0.14 -0.06 6.18 0.00 0.66 -2.32 107.32 111.64 2g2k s GLY 119 Ca 0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 2g2k s GLY 119 CO -0.00 -0.72 0.15 0.54 0.00 0.00 0.00 173.10 173.06 2g2k s ASN 120 N -2.88 -0.13 0.06 1.64 4.22 -0.05 0.13 114.94 117.92 2g2k s ASN 120 Ca 0.08 0.31 0.08 0.00 -2.14 0.00 0.00 52.86 51.19 2g2k s ASN 120 Cb 0.04 0.23 -0.03 0.00 1.28 0.00 0.00 41.25 42.77 2g2k s ASN 120 CO -0.08 -0.12 -0.20 -0.94 -2.04 0.00 0.00 177.10 173.72 2g2k s SER 121 N 0.85 3.66 -0.02 3.54 1.04 -1.23 0.21 113.70 121.75 2g2k s SER 121 Ca -0.06 -0.49 -0.21 0.00 0.48 0.00 0.00 55.95 55.67 2g2k s SER 121 Cb -0.08 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.47 2g2k s SER 121 CO -0.04 0.24 0.60 0.00 0.98 0.00 0.00 173.24 175.02 2g2k h LYS 123 N 5.90 0.00 -0.97 0.00 1.63 -1.86 -1.51 116.57 119.76 2g2k h LYS 123 Ca -0.44 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.56 2g2k h LYS 123 Cb 1.20 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.64 2g2k h LYS 123 CO 0.71 0.00 -0.20 0.00 -3.45 0.00 0.00 179.45 176.51 2g2k h ALA 124 N 1.05 0.72 0.00 5.00 0.00 -1.91 -3.37 119.26 120.75 2g2k h ALA 124 Ca 0.01 0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2g2k h ALA 124 Cb 0.99 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2g2k h ALA 124 CO -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 2g2k n GLY 126 N 0.00 2.10 5.00 0.00 0.00 -0.61 -4.89 105.19 106.79 2g2k n GLY 126 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 -2.32 1.61 4.19 -1.26 -1.99 117.16 117.38 2g2k n TYR 127 Ca 0.00 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.18 2g2k n TYR 127 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 2g2k n TYR 127 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2g2k n ARG 128 N 0.00 -3.09 -3.17 2.98 5.12 -1.26 -4.93 116.66 112.30 2g2k n ARG 128 Ca 0.00 2.50 -0.34 0.00 -1.93 0.00 0.00 57.85 58.08 2g2k n ARG 128 Cb 0.00 -4.05 -0.04 0.00 -1.16 0.00 0.00 32.46 27.22 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2g2k n GLY 129 N 0.99 5.12 3.66 -0.13 0.00 0.57 -4.91 105.19 110.49 2g2k n GLY 129 Ca -0.21 -2.73 -0.42 0.00 0.00 0.00 0.00 46.02 42.67 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 -2.82 4.28 -0.00 1.61 0.00 -1.26 -0.87 119.30 120.23 2g2k s MET 130 Ca 0.37 1.10 -0.23 0.00 0.00 0.00 0.00 55.69 56.93 2g2k s MET 130 Cb 0.13 -3.60 -0.05 0.00 0.00 0.00 0.00 34.83 31.31 2g2k s MET 130 CO 0.02 -0.42 0.70 -0.51 0.00 0.00 0.00 175.02 174.81 2g2k s LEU 131 N 2.48 4.40 0.00 4.11 1.43 -0.98 -4.92 118.68 125.20 2g2k s LEU 131 Ca 0.39 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2g2k s LEU 131 Cb -0.16 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2g2k s LEU 131 CO 0.11 -0.01 0.24 0.47 0.23 0.00 0.00 176.35 177.39 2g2k n ASP 132 N 3.10 0.41 -3.97 2.29 8.00 -1.26 -4.60 116.55 120.51 2g2k n ASP 132 Ca -0.03 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2g2k n ASP 132 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2g2k n ASP 132 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2g2k n THR 133 N -0.02 0.00 -3.62 -3.53 5.66 -1.26 -5.07 114.28 106.44 2g2k n THR 133 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2g2k n THR 133 Cb 0.19 -0.05 -0.04 0.00 -1.55 0.00 0.00 70.33 68.88 2g2k n THR 133 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2g2k s HIS 134 N 0.00 -0.23 -1.59 1.09 3.76 -1.26 -4.89 115.29 112.17 2g2k s HIS 134 Ca 0.00 -0.08 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 2g2k s HIS 134 Cb 0.00 0.30 0.01 0.00 1.11 0.00 0.00 32.58 33.99 2g2k s HIS 134 CO 0.00 -0.73 0.43 1.58 -0.85 0.00 0.00 174.74 175.17 2g2k n HIS 135 N -0.25 -1.70 -4.22 1.40 -0.00 -1.26 -4.97 115.22 104.22 2g2k n HIS 135 Ca -0.16 0.37 -0.13 0.00 0.46 0.00 0.00 57.72 58.27 2g2k n HIS 135 Cb 0.64 -4.23 -0.10 0.00 -0.12 0.00 0.00 29.99 26.18 2g2k n HIS 135 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2g2k s LYS 136 N -5.54 1.23 0.56 1.57 2.20 -1.26 -4.99 119.74 113.50 2g2k s LYS 136 Ca 0.22 -1.64 0.46 0.00 -0.36 0.00 0.00 55.97 54.65 2g2k s LYS 136 Cb -0.10 0.17 1.68 0.00 -1.51 0.00 0.00 37.83 38.07 2g2k s LYS 136 CO 0.28 -0.36 1.64 1.37 -0.36 0.00 0.00 175.35 177.91 2g2k h LEU 137 N 2.59 0.00 -1.10 5.43 8.10 -1.97 0.83 115.31 129.20 2g2k h LEU 137 Ca -0.36 0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.68 2g2k h LEU 137 Cb 1.25 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.41 2g2k h LEU 137 CO 0.55 0.00 0.61 0.00 -4.11 0.00 0.00 178.44 175.49 2g2k h THR 139 N 1.13 1.27 -0.26 0.00 2.02 0.36 0.97 112.91 118.40 2g2k h THR 139 Ca 0.39 -1.43 0.04 0.00 0.77 0.00 0.00 66.41 66.18 2g2k h THR 139 Cb 0.10 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2g2k h THR 139 CO -0.14 0.48 0.05 0.15 0.37 0.00 0.00 175.52 176.44 2g2k h PHE 140 N 0.78 0.08 -0.34 3.16 3.04 -1.36 1.82 116.94 124.13 2g2k h PHE 140 Ca 0.09 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.94 2g2k h PHE 140 Cb 0.84 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 2g2k h PHE 140 CO 0.06 0.02 -0.26 -0.84 -2.02 0.00 0.00 178.31 175.26 2g2k h ILE 141 N 0.15 1.29 -0.45 1.41 3.07 -1.39 -2.24 117.51 119.35 2g2k h ILE 141 Ca 0.12 -1.42 -0.06 0.00 1.55 0.00 0.00 64.86 65.05 2g2k h ILE 141 Cb 0.13 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 38.12 2g2k h ILE 141 CO -0.16 0.46 0.03 0.25 -1.05 0.00 0.00 178.15 177.68 2g2k h LEU 142 N 0.55 0.74 0.00 0.16 7.12 -0.22 -2.20 115.31 121.46 2g2k h LEU 142 Ca 0.06 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.79 2g2k h LEU 142 Cb 0.83 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2g2k h LEU 142 CO 0.07 0.84 0.00 2.29 -0.13 0.00 0.00 178.44 181.51 2g2k n LYS 143 N -4.43 0.96 -3.26 1.25 -0.00 0.61 -4.17 118.16 109.13 2g2k n LYS 143 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.99 2g2k n LYS 143 Cb 0.27 -1.16 -0.05 0.00 -0.00 0.00 0.00 35.03 34.10 2g2k n LYS 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2g2k n ASN 144 N -0.66 4.74 -4.66 -5.58 5.03 -0.83 -5.01 115.26 108.29 2g2k n ASN 144 Ca 0.07 -3.45 -0.43 0.00 0.87 0.00 0.00 54.58 51.65 2g2k n ASN 144 Cb 0.03 -0.87 -0.02 0.00 -1.02 0.00 0.00 39.78 37.89 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 -2.65 4.23 -0.63 3.52 0.04 -1.26 -4.94 135.00 133.30 2g2k s PRO 145 Ca 0.37 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 2g2k s PRO 145 Cb 0.12 -3.81 -0.00 0.00 0.04 0.00 0.00 34.50 30.85 2g2k s PRO 145 CO 0.03 -0.73 1.66 -1.25 0.04 0.00 0.00 177.00 176.75 2g2k s PRO 146 N 3.53 2.87 -0.93 0.56 0.04 -1.26 -4.87 135.00 134.93 2g2k s PRO 146 Ca 0.61 0.41 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 2g2k s PRO 146 Cb -0.26 -4.30 -0.26 0.00 0.04 0.00 0.00 34.50 29.72 2g2k s PRO 146 CO 0.20 -2.47 2.35 -1.91 0.04 0.00 0.00 177.00 175.22 2g2k n GLU 147 N 9.15 0.16 -3.60 4.56 4.07 -1.26 -4.74 120.64 128.97 2g2k n GLU 147 Ca 0.15 -0.13 -0.04 0.00 -0.06 0.00 0.00 57.16 57.08 2g2k n GLU 147 Cb 0.51 -1.71 -0.02 0.00 -0.06 0.00 0.00 31.44 30.17 2g2k n GLU 147 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2g2k s ASN 148 N 4.86 -0.20 0.09 4.31 0.01 -1.26 -5.04 114.94 117.70 2g2k s ASN 148 Ca 1.25 -0.10 -0.15 0.00 -0.71 0.00 0.00 52.86 53.15 2g2k s ASN 148 Cb -0.80 0.29 -0.11 0.00 0.41 0.00 0.00 41.25 41.04 2g2k s ASN 148 CO 0.45 -0.50 1.37 -1.28 -1.51 0.00 0.00 177.10 175.64 2g2k h SER 149 N 2.00 0.78 -0.08 -1.22 0.87 -2.05 -3.47 113.55 110.38 2g2k h SER 149 Ca -0.20 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 2g2k h SER 149 Cb 1.21 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2g2k h SER 149 CO 0.27 1.15 0.00 -0.90 -0.53 0.00 0.00 176.83 176.82 2g2k n ASP 150 N -4.19 0.15 -0.03 6.23 5.75 -1.26 -5.06 116.55 118.14 2g2k n ASP 150 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.76 2g2k n ASP 150 Cb 0.54 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.00 2.07 0.00 -1.12 7.64 -1.26 -5.04 113.62 115.90 2g2k n SER 151 Ca 0.00 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.53 2g2k n SER 151 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.81 2.97 2.90 0.23 0.00 -1.26 -4.93 105.19 104.30 2g2k n GLY 152 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2g2k n GLY 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g2k n THR 153 N 0.00 -7.83 0.04 2.61 -1.04 -1.26 -4.90 114.28 101.90 2g2k n THR 153 Ca 0.00 1.34 -0.09 0.00 -2.04 0.00 0.00 64.05 63.25 2g2k n THR 153 Cb 0.00 -5.21 -0.13 0.00 -1.82 0.00 0.00 70.33 63.17 2g2k n THR 153 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2g2k h GLY 154 N 3.48 0.06 -6.00 3.41 0.00 -2.08 -3.45 103.07 98.50 2g2k h GLY 154 Ca -0.05 -0.16 0.20 0.00 0.00 0.00 0.00 47.33 47.32 2g2k h GLY 154 CO 0.05 0.14 -0.02 0.54 0.00 0.00 0.00 176.54 177.25 2g2k s LYS 155 N -2.66 0.22 0.00 4.80 1.02 -1.26 -5.30 119.74 116.56 2g2k s LYS 155 Ca -0.02 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.25 2g2k s LYS 155 Cb 0.09 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 2g2k s LYS 155 CO 0.83 -0.35 0.00 1.63 -0.92 0.00 0.00 175.35 176.54