#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 4.84 -0.58 1.96 2.88 -1.26 -5.03 113.62 116.42 2g2k n SER 2 Ca 0.00 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 2g2k n SER 2 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2g2k n SER 2 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2g2k n VAL 3 N -0.70 0.00 -1.76 2.46 0.24 -1.26 -5.15 118.33 112.16 2g2k n VAL 3 Ca 0.43 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.43 2g2k n VAL 3 Cb 0.96 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.39 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 0.20 5.23 0.17 -1.34 -0.87 -1.26 -4.97 114.94 112.11 2g2k s ASN 4 Ca 0.00 1.24 -0.09 0.00 -1.57 0.00 0.00 52.86 52.44 2g2k s ASN 4 Cb 0.00 -2.05 0.05 0.00 -0.02 0.00 0.00 41.25 39.23 2g2k s ASN 4 CO 0.00 -1.49 1.60 0.58 -2.57 0.00 0.00 177.10 175.22 2g2k h VAL 5 N -0.76 1.27 -3.37 1.60 2.07 -2.01 -3.46 116.25 111.59 2g2k h VAL 5 Ca -0.45 -1.27 -0.30 0.00 0.82 0.00 0.00 66.70 65.50 2g2k h VAL 5 Cb 1.25 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2g2k h VAL 5 CO 0.62 0.45 -0.37 0.59 0.02 0.00 0.00 177.57 178.88 2g2k n ASN 6 N -4.14 -4.42 0.16 0.57 4.13 -1.26 -4.82 115.26 105.48 2g2k n ASN 6 Ca 0.02 0.16 0.01 0.00 1.68 0.00 0.00 54.58 56.44 2g2k n ASN 6 Cb 0.40 -3.76 0.26 0.00 -1.54 0.00 0.00 39.78 35.15 2g2k n ASN 6 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2g2k h ARG 7 N 0.00 0.00 -0.02 3.52 3.08 -2.04 -2.83 114.38 116.09 2g2k h ARG 7 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2g2k h ARG 7 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2g2k h ARG 7 CO 0.42 0.50 -0.08 -1.13 -1.07 0.00 0.00 179.97 178.60 2g2k n SER 8 N -3.90 2.53 -3.60 7.04 3.41 -1.26 -4.94 113.62 112.90 2g2k n SER 8 Ca -0.01 -1.80 -0.16 0.00 -0.26 0.00 0.00 58.87 56.63 2g2k n SER 8 Cb 0.52 0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2g2k n SER 8 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2g2k s VAL 9 N -2.09 0.02 0.00 -3.33 -7.23 -1.07 -5.03 120.40 101.68 2g2k s VAL 9 Ca 0.28 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2g2k s VAL 9 Cb 0.20 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 36.26 2g2k s VAL 9 CO 0.36 -0.10 0.00 1.15 -0.31 0.00 0.00 175.10 176.20 2g2k n MET 10 N 0.94 0.00 -1.82 4.82 3.85 -1.26 -4.52 117.12 119.13 2g2k n MET 10 Ca -0.20 0.00 -0.34 0.00 -1.00 0.00 0.00 57.70 56.16 2g2k n MET 10 Cb 0.57 0.00 0.05 0.00 -1.05 0.00 0.00 33.22 32.79 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 0.00 5.07 0.53 3.17 2.15 -1.26 -4.90 116.67 121.43 2g2k s ASP 11 Ca 0.00 2.14 0.32 0.00 0.43 0.00 0.00 52.55 55.44 2g2k s ASP 11 Cb 0.00 -2.57 1.35 0.00 -0.30 0.00 0.00 42.92 41.40 2g2k s ASP 11 CO 0.00 -1.66 1.98 -0.61 -0.17 0.00 0.00 175.17 174.71 2g2k h GLN 12 N 0.29 0.00 -5.43 4.34 4.15 -2.01 -3.48 115.11 112.97 2g2k h GLN 12 Ca -0.48 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.90 2g2k h GLN 12 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2g2k h GLN 12 CO 0.54 0.05 -0.53 1.19 -1.93 0.00 0.00 178.83 178.15 2g2k n PHE 13 N -3.19 -3.36 0.00 3.99 3.72 -1.26 -4.98 117.46 112.38 2g2k n PHE 13 Ca 0.00 1.35 0.00 0.00 -0.05 0.00 0.00 57.45 58.75 2g2k n PHE 13 Cb 0.31 -3.85 0.00 0.00 -0.94 0.00 0.00 39.48 35.00 2g2k n PHE 13 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2g2k n TYR 14 N -0.45 0.00 0.00 1.38 4.11 -1.26 -5.01 117.16 115.93 2g2k n TYR 14 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2g2k n TYR 14 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2g2k n ARG 15 N -1.08 0.00 -3.79 -3.48 3.00 -1.26 -5.12 116.66 104.93 2g2k n ARG 15 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 2g2k n ARG 15 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.57 2g2k n ARG 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2g2k s TYR 16 N -0.19 3.47 0.14 -0.14 6.14 -1.26 -5.09 117.35 120.43 2g2k s TYR 16 Ca 0.00 0.39 0.06 0.00 0.64 0.00 0.00 57.07 58.16 2g2k s TYR 16 Cb 0.00 -2.08 -0.04 0.00 0.42 0.00 0.00 41.96 40.26 2g2k s TYR 16 CO 0.00 0.44 -0.13 0.15 0.64 0.00 0.00 175.55 176.65 2g2k s LYS 17 N -0.13 1.09 -0.37 4.97 1.02 -1.26 -4.74 119.74 120.32 2g2k s LYS 17 Ca 0.10 -1.36 0.01 0.00 0.02 0.00 0.00 55.97 54.74 2g2k s LYS 17 Cb -0.11 -0.87 0.12 0.00 -0.52 0.00 0.00 37.83 36.45 2g2k s LYS 17 CO 0.00 0.15 0.17 1.41 -0.92 0.00 0.00 175.35 176.16 2g2k s MET 18 N -3.13 0.97 -1.13 1.68 1.75 -1.26 -5.05 119.30 113.13 2g2k s MET 18 Ca 0.13 -1.53 -0.22 0.00 -1.25 0.00 0.00 55.69 52.82 2g2k s MET 18 Cb -0.02 -2.10 -0.04 0.00 2.84 0.00 0.00 34.83 35.51 2g2k s MET 18 CO 0.03 -1.09 1.86 -1.25 -0.65 0.00 0.00 175.02 173.92 2g2k s PRO 19 N 0.99 2.88 0.59 4.11 0.04 -1.26 -4.96 135.00 137.39 2g2k s PRO 19 Ca 0.14 -1.13 -0.14 0.00 0.04 0.00 0.00 61.00 59.91 2g2k s PRO 19 Cb -0.21 -5.27 -0.05 0.00 0.04 0.00 0.00 34.50 29.01 2g2k s PRO 19 CO -0.11 -3.38 1.02 -0.98 0.04 0.00 0.00 177.00 173.59 2g2k s ARG 20 N 6.03 3.58 -0.15 4.56 1.04 -1.26 -4.94 118.95 127.82 2g2k s ARG 20 Ca 0.64 0.94 -0.28 0.00 -1.04 0.00 0.00 55.73 55.99 2g2k s ARG 20 Cb -0.01 -2.08 -0.01 0.00 -2.04 0.00 0.00 34.95 30.81 2g2k s ARG 20 CO 0.07 -0.58 0.93 -1.17 -0.04 0.00 0.00 175.30 174.52 2g2k s LEU 21 N -4.70 4.20 -0.16 -1.89 2.96 -1.26 -4.96 118.68 112.86 2g2k s LEU 21 Ca 0.58 1.36 -0.03 0.00 -0.22 0.00 0.00 54.13 55.82 2g2k s LEU 21 Cb -0.12 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2g2k s LEU 21 CO 0.43 -0.45 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.34 2g2k s ILE 22 N 2.19 3.77 -0.05 6.68 1.01 -1.26 -4.74 121.20 128.80 2g2k s ILE 22 Ca 0.43 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.74 2g2k s ILE 22 Cb -0.17 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 2g2k s ILE 22 CO 0.14 0.48 -0.19 0.00 0.00 0.00 0.00 174.94 175.37 2g2k s ALA 23 N 0.54 2.45 -0.03 9.38 0.00 -1.26 -3.94 121.76 128.90 2g2k s ALA 23 Ca -0.03 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.95 2g2k s ALA 23 Cb -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2g2k s ALA 23 CO 0.03 0.52 -0.19 0.15 0.00 0.00 0.00 175.76 176.26 2g2k s LYS 24 N -0.57 1.81 -0.12 0.00 1.02 -0.50 -4.54 119.74 116.83 2g2k s LYS 24 Ca 0.08 -0.68 -0.13 0.00 0.02 0.00 0.00 55.97 55.27 2g2k s LYS 24 Cb -0.11 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 2g2k s LYS 24 CO 0.01 0.33 0.28 0.08 -0.92 0.00 0.00 175.35 175.13 2g2k s VAL 25 N -0.17 5.29 0.35 3.17 1.01 -1.26 0.20 120.40 128.98 2g2k s VAL 25 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.58 2g2k s VAL 25 Cb -0.10 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 2g2k s VAL 25 CO 0.01 0.47 -0.01 -1.61 0.00 0.00 0.00 175.10 173.96 2g2k s GLU 26 N -0.10 1.76 -0.93 2.72 2.02 -0.57 -4.95 118.70 118.66 2g2k s GLU 26 Ca 0.17 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.21 2g2k s GLU 26 Cb -0.13 -1.34 0.33 0.00 0.10 0.00 0.00 34.13 33.08 2g2k s GLU 26 CO 0.06 -0.03 1.67 0.41 0.02 0.00 0.00 175.26 177.38 2g2k n GLY 27 N -0.78 6.01 3.35 -1.39 0.00 -1.26 -2.63 105.19 108.49 2g2k n GLY 27 Ca -0.04 -2.62 -0.19 0.00 0.00 0.00 0.00 46.02 43.17 2g2k n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g2k s LYS 28 N -4.15 1.59 6.66 1.61 3.01 -1.26 -4.78 119.74 122.42 2g2k s LYS 28 Ca 0.42 -1.91 0.00 0.00 -1.01 0.00 0.00 55.97 53.47 2g2k s LYS 28 Cb 0.23 -0.21 0.00 0.00 -1.01 0.00 0.00 37.83 36.83 2g2k s LYS 28 CO -0.15 -0.41 0.00 0.41 0.51 0.00 0.00 175.35 175.71 2g2k n GLY 29 N -0.59 1.29 0.28 -3.33 0.00 -1.26 -2.32 105.19 99.25 2g2k n GLY 29 Ca 0.00 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 7.61 0.84 0.00 1.61 2.85 -1.26 -4.78 115.26 122.13 2g2k n ASN 30 Ca 0.00 -1.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.03 2g2k n ASN 30 Cb 0.00 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 40.99 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2g2k n GLY 31 N 1.02 1.54 0.00 8.20 0.00 -1.18 -5.07 105.19 109.70 2g2k n GLY 31 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 -4.24 -0.61 2.08 -0.98 -4.72 119.36 110.89 2g2k n ILE 32 Ca 0.00 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.11 2g2k n ILE 32 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 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 0.00 1.02 -0.19 0.38 -2.85 -1.08 -2.47 119.74 114.55 2g2k s LYS 33 Ca 0.00 -1.17 -0.13 0.00 -1.00 0.00 0.00 55.97 53.67 2g2k s LYS 33 Cb 0.00 -1.02 -0.05 0.00 -2.06 0.00 0.00 37.83 34.71 2g2k s LYS 33 CO 0.00 0.21 0.26 0.99 0.10 0.00 0.00 175.35 176.91 2g2k s THR 34 N -1.73 5.32 -0.22 3.79 2.01 0.33 -1.51 115.64 123.63 2g2k s THR 34 Ca 0.06 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 2g2k s THR 34 Cb -0.07 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.86 2g2k s THR 34 CO 0.03 0.37 -0.11 0.54 -0.69 0.00 0.00 174.62 174.76 2g2k s VAL 35 N 0.67 2.62 -0.42 3.82 0.11 0.13 0.17 120.40 127.51 2g2k s VAL 35 Ca 0.14 -0.91 -0.18 0.00 -2.93 0.00 0.00 61.98 58.10 2g2k s VAL 35 Cb -0.13 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.51 2g2k s VAL 35 CO 0.03 0.37 0.49 -0.63 -3.33 0.00 0.00 175.10 172.03 2g2k s ILE 36 N 1.33 5.03 -2.38 7.04 1.01 -1.22 -1.40 121.20 130.61 2g2k s ILE 36 Ca 0.03 -0.21 0.27 0.00 0.00 0.00 0.00 60.65 60.74 2g2k s ILE 36 Cb -0.15 -4.07 0.41 0.00 0.01 0.00 0.00 42.46 38.66 2g2k s ILE 36 CO -0.08 -0.45 1.61 1.33 0.00 0.00 0.00 174.94 177.35 2g2k n VAL 37 N 5.53 0.00 0.16 2.92 0.24 -1.25 -3.89 118.33 122.03 2g2k n VAL 37 Ca -0.06 -0.26 0.02 0.00 -2.04 0.00 0.00 64.34 62.00 2g2k n VAL 37 Cb 0.48 0.65 0.01 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.14 1.18 -0.11 -1.34 5.15 -1.26 -4.61 115.26 114.41 2g2k n ASN 38 Ca 0.16 -1.09 -0.10 0.00 -0.60 0.00 0.00 54.58 52.95 2g2k n ASN 38 Cb 0.39 0.12 -0.02 0.00 -0.53 0.00 0.00 39.78 39.74 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2g2k h MET 39 N 0.67 0.52 -0.30 1.20 1.85 -1.84 -0.48 114.93 116.55 2g2k h MET 39 Ca 0.00 -0.12 -0.15 0.00 -0.61 0.00 0.00 59.70 58.82 2g2k h MET 39 Cb 0.15 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.11 2g2k h MET 39 CO 0.00 0.57 -0.39 0.28 -0.40 0.00 0.00 176.91 176.97 2g2k h VAL 40 N 0.38 1.29 -0.02 -5.77 2.07 -1.83 0.11 116.25 112.49 2g2k h VAL 40 Ca 0.11 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 2g2k h VAL 40 Cb 0.27 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2g2k h VAL 40 CO -0.00 0.51 0.01 0.44 0.02 0.00 0.00 177.57 178.55 2g2k h ASP 41 N 0.56 0.02 -0.31 0.57 3.32 -1.79 0.83 116.42 119.62 2g2k h ASP 41 Ca 0.04 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 2g2k h ASP 41 Cb 0.98 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2g2k h ASP 41 CO 0.09 0.12 -0.15 -0.37 -1.72 0.00 0.00 179.24 177.21 2g2k h VAL 42 N -0.08 1.29 -0.29 -1.35 -1.51 -1.11 0.47 116.25 113.67 2g2k h VAL 42 Ca 0.01 -1.25 -0.07 0.00 -1.23 0.00 0.00 66.70 64.15 2g2k h VAL 42 Cb 0.11 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 2g2k h VAL 42 CO -0.00 0.40 -0.09 0.00 -1.23 0.00 0.00 177.57 176.65 2g2k h ALA 43 N 0.76 0.40 -0.33 5.19 0.00 -0.87 -2.35 119.26 122.06 2g2k h ALA 43 Ca 0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2g2k h ALA 43 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2g2k h ALA 43 CO 0.05 0.24 -0.24 -0.22 0.00 0.00 0.00 179.25 179.07 2g2k h LYS 44 N 0.33 0.65 0.00 0.00 3.11 0.80 2.48 116.57 123.94 2g2k h LYS 44 Ca 0.07 -0.26 -0.06 0.00 -2.81 0.00 0.00 60.65 57.60 2g2k h LYS 44 Cb 0.58 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 2g2k h LYS 44 CO 0.03 0.83 -0.27 0.00 -2.81 0.00 0.00 179.45 177.23 2g2k h ALA 45 N 1.17 1.13 -0.00 5.00 0.00 -0.80 -3.22 119.26 122.53 2g2k h ALA 45 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2g2k h ALA 45 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2g2k h ALA 45 CO 0.06 0.34 -0.12 1.47 0.00 0.00 0.00 179.25 181.00 2g2k n LEU 46 N -3.61 0.22 0.00 0.00 -0.00 -0.90 -5.08 117.00 107.64 2g2k n LEU 46 Ca -0.01 -0.54 0.00 0.00 -0.00 0.00 0.00 56.01 55.46 2g2k n LEU 46 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 2g2k n LEU 46 CO 0.34 0.05 0.00 -3.20 -0.00 0.00 0.00 177.39 174.59 2g2k n ASN 47 N -0.96 0.00 -4.98 1.45 2.85 0.83 -5.05 115.26 109.39 2g2k n ASN 47 Ca 0.01 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 2g2k n ASN 47 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2g2k s ARG 48 N -0.46 2.72 0.05 1.20 0.52 -1.12 -2.94 118.95 118.93 2g2k s ARG 48 Ca 0.00 -1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 53.56 2g2k s ARG 48 Cb 0.00 -2.66 -0.06 0.00 0.52 0.00 0.00 34.95 32.75 2g2k s ARG 48 CO 0.00 -0.30 1.27 -1.25 0.02 0.00 0.00 175.30 175.05 2g2k s PRO 49 N -4.32 4.38 0.00 3.54 0.04 -1.26 -4.40 135.00 132.97 2g2k s PRO 49 Ca 0.54 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 2g2k s PRO 49 Cb -0.08 -3.37 -0.17 0.00 0.04 0.00 0.00 34.50 30.91 2g2k s PRO 49 CO 0.32 -0.36 2.63 -0.35 0.04 0.00 0.00 177.00 179.28 2g2k n PRO 50 N 4.25 1.37 0.25 0.56 -0.04 -1.26 -4.42 135.00 135.71 2g2k n PRO 50 Ca 0.10 -0.64 0.12 0.00 -0.04 0.00 0.00 63.50 63.04 2g2k n PRO 50 Cb 0.45 -1.78 0.62 0.00 -0.04 0.00 0.00 33.50 32.75 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 2.15 0.51 0.10 0.52 1.35 -2.00 -2.46 112.91 113.08 2g2k h THR 51 Ca 0.12 -0.79 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2g2k h THR 51 Cb 1.06 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2g2k h THR 51 CO 0.27 0.16 -0.05 0.22 -0.25 0.00 0.00 175.52 175.87 2g2k h TYR 52 N 0.00 -0.12 0.00 4.73 5.03 -2.01 -3.22 116.97 121.37 2g2k h TYR 52 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2g2k h TYR 52 Cb 0.53 0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.85 2g2k h TYR 52 CO 0.00 0.37 0.00 -0.35 -1.32 0.00 0.00 178.16 176.86 2g2k n PRO 53 N -4.83 0.47 0.28 1.82 -0.04 -1.21 -3.03 135.00 128.47 2g2k n PRO 53 Ca -0.07 0.03 0.17 0.00 -0.04 0.00 0.00 63.50 63.59 2g2k n PRO 53 Cb 0.27 -1.50 0.81 0.00 -0.04 0.00 0.00 33.50 33.04 2g2k n PRO 53 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2g2k h THR 54 N 0.00 0.19 -0.15 0.52 2.02 -1.45 -2.84 112.91 111.20 2g2k h THR 54 Ca 0.00 -0.45 -0.16 0.00 0.77 0.00 0.00 66.41 66.58 2g2k h THR 54 Cb 0.04 1.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2g2k h THR 54 CO 0.00 0.05 -0.53 0.50 0.37 0.00 0.00 175.52 175.91 2g2k h LYS 55 N 0.00 0.62 -0.11 6.66 3.11 -1.75 -2.88 116.57 122.22 2g2k h LYS 55 Ca -0.00 -0.47 0.01 0.00 -2.81 0.00 0.00 60.65 57.38 2g2k h LYS 55 Cb 0.36 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 2g2k h LYS 55 CO 0.01 1.09 0.02 1.88 -2.81 0.00 0.00 179.45 179.63 2g2k h TYR 56 N 0.28 0.03 -0.67 1.91 -1.99 -1.75 -1.63 116.97 113.16 2g2k h TYR 56 Ca -0.02 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.76 2g2k h TYR 56 Cb 1.15 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.84 2g2k h TYR 56 CO 0.10 0.01 0.39 0.74 -0.00 0.00 0.00 178.16 179.40 2g2k h PHE 57 N 0.06 0.72 -0.54 4.88 0.04 -1.61 -1.03 116.94 119.45 2g2k h PHE 57 Ca 0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2g2k h PHE 57 Cb 0.04 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 2g2k h PHE 57 CO -0.12 0.37 0.36 0.78 -0.60 0.00 0.00 178.31 179.10 2g2k h GLY 58 N 0.73 0.75 0.89 -1.45 0.00 -1.22 -1.50 103.07 101.28 2g2k h GLY 58 Ca 0.29 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2g2k h GLY 58 CO -0.15 0.26 0.53 0.00 0.00 0.00 0.00 176.54 177.18 2g2k h GLU 60 N 0.84 0.22 -0.27 0.00 4.57 -1.19 -2.86 114.58 115.90 2g2k h GLU 60 Ca 0.36 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2g2k h GLU 60 Cb 0.31 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2g2k h GLU 60 CO -0.13 0.56 0.00 1.47 -1.18 0.00 0.00 179.01 179.72 2g2k n LEU 61 N -4.72 0.27 0.00 1.64 -0.00 -0.92 -4.81 117.00 108.45 2g2k n LEU 61 Ca -0.06 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 2g2k n LEU 61 Cb 0.26 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 2g2k n LEU 61 CO 0.36 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2g2k n GLY 62 N 0.35 0.18 3.58 1.47 0.00 -0.67 -4.86 105.19 105.25 2g2k n GLY 62 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.46 3.06 0.00 4.61 0.00 -0.06 -4.96 121.76 122.95 2g2k s ALA 63 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 49.99 2g2k s ALA 63 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2g2k s ALA 63 CO 0.00 0.11 0.00 1.04 0.00 0.00 0.00 175.76 176.91 2g2k n GLN 64 N -0.86 0.00 -4.04 0.00 6.02 -1.26 -2.99 117.38 114.25 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 1.02 0.00 0.00 30.24 31.82 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g2k s THR 65 N 2.92 0.00 -0.06 5.09 -4.23 -1.26 -3.22 115.64 114.87 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 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.57 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 -3.99 0.19 0.03 3.99 2.00 0.59 -4.73 119.66 117.74 2g2k s GLN 66 Ca 0.26 0.25 0.06 0.00 -2.00 0.00 0.00 55.36 53.93 2g2k s GLN 66 Cb 0.01 0.08 -0.02 0.00 0.80 0.00 0.00 33.01 33.88 2g2k s GLN 66 CO 0.10 -0.03 -0.18 -0.06 -0.50 0.00 0.00 175.29 174.62 2g2k s PHE 67 N 0.15 1.57 -0.17 1.67 0.08 -1.26 -0.73 117.98 119.28 2g2k s PHE 67 Ca -0.00 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2g2k s PHE 67 Cb -0.02 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2g2k s PHE 67 CO -0.00 0.05 -0.12 0.34 -0.10 0.00 0.00 175.22 175.39 2g2k s ASP 68 N -0.98 3.02 -0.16 1.36 -1.08 -0.43 -4.98 116.67 113.43 2g2k s ASP 68 Ca 0.05 -0.68 -0.16 0.00 -0.52 0.00 0.00 52.55 51.24 2g2k s ASP 68 Cb -0.08 -1.19 -0.23 0.00 -1.46 0.00 0.00 42.92 39.96 2g2k s ASP 68 CO 0.01 -0.10 0.33 -0.37 0.52 0.00 0.00 175.17 175.56 2g2k h VAL 69 N 6.23 0.86 0.00 1.11 -1.51 -1.95 0.84 116.25 121.84 2g2k h VAL 69 Ca -0.33 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.87 2g2k h VAL 69 Cb 1.12 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.69 2g2k h VAL 69 CO 0.50 0.56 0.00 0.29 -1.23 0.00 0.00 177.57 177.69 2g2k n LYS 70 N -4.06 0.18 -0.01 5.19 4.76 -1.26 -2.89 118.16 120.06 2g2k n LYS 70 Ca -0.30 0.15 -0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2g2k n LYS 70 Cb 0.83 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.50 2g2k n LYS 70 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2g2k n ASN 71 N -1.34 4.55 -0.54 4.39 4.05 -1.24 -5.00 115.26 120.12 2g2k n ASN 71 Ca 0.07 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.03 2g2k n ASN 71 Cb 0.15 0.68 -0.03 0.00 1.23 0.00 0.00 39.78 41.81 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 -1.95 -4.27 -4.38 1.20 8.00 0.29 -4.99 116.55 110.46 2g2k n ASP 72 Ca -0.02 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.32 2g2k n ASP 72 Cb 0.44 -2.40 -0.14 0.00 -0.02 0.00 0.00 41.12 39.00 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 -2.29 3.41 -0.11 -1.24 3.00 -1.11 -4.91 118.95 115.70 2g2k s ARG 73 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 55.73 55.07 2g2k s ARG 73 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 34.95 32.26 2g2k s ARG 73 CO 0.00 0.20 -0.12 0.71 0.00 0.00 0.00 175.30 176.08 2g2k s TYR 74 N 0.41 2.81 0.11 -0.53 2.02 -1.26 -1.31 117.35 119.59 2g2k s TYR 74 Ca -0.09 -0.46 0.10 0.00 -0.37 0.00 0.00 57.07 56.25 2g2k s TYR 74 Cb -0.16 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2g2k s TYR 74 CO 0.05 -0.07 -0.26 0.42 -1.57 0.00 0.00 175.55 174.11 2g2k s ILE 75 N 0.03 2.18 -0.16 2.71 -1.09 0.09 -3.41 121.20 121.55 2g2k s ILE 75 Ca -0.04 -1.65 -0.01 0.00 -2.23 0.00 0.00 60.65 56.72 2g2k s ILE 75 Cb -0.14 -1.92 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 2g2k s ILE 75 CO 0.04 0.14 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.09 2g2k s VAL 76 N -1.01 3.05 0.47 2.92 1.01 0.45 0.22 120.40 127.51 2g2k s VAL 76 Ca 0.13 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2g2k s VAL 76 Cb -0.10 -2.31 -0.11 0.00 0.00 0.00 0.00 36.38 33.85 2g2k s VAL 76 CO 0.05 0.50 0.54 0.59 0.00 0.00 0.00 175.10 176.77 2g2k n ASN 77 N 4.01 -0.93 0.00 3.32 3.02 -1.20 0.26 115.26 123.74 2g2k n ASN 77 Ca -0.18 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 2g2k n ASN 77 Cb 0.52 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 1.78 -0.53 3.52 7.41 0.00 -1.03 -4.45 105.19 111.89 2g2k n GLY 78 Ca 0.11 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.29 5.25 0.04 1.61 1.04 -1.25 0.12 113.70 119.22 2g2k s SER 79 Ca 0.00 -0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 2g2k s SER 79 Cb 0.00 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 2g2k s SER 79 CO 0.00 0.07 -0.03 -1.00 0.98 0.00 0.00 173.24 173.26 2g2k s HIS 80 N 0.96 0.45 0.36 5.02 3.76 -1.26 -4.96 115.29 119.61 2g2k s HIS 80 Ca 0.03 -0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 54.09 2g2k s HIS 80 Cb -0.14 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.19 2g2k s HIS 80 CO 0.03 -0.27 0.63 -2.00 -0.85 0.00 0.00 174.74 172.27 2g2k s GLU 81 N -2.79 3.60 0.25 1.40 2.12 -1.26 -4.61 118.70 117.42 2g2k s GLU 81 Ca -0.03 0.04 -0.03 0.00 0.36 0.00 0.00 54.97 55.31 2g2k s GLU 81 Cb -0.00 -2.56 0.49 0.00 0.26 0.00 0.00 34.13 32.31 2g2k s GLU 81 CO -0.05 0.08 1.76 0.00 -0.54 0.00 0.00 175.26 176.50 2g2k h ALA 82 N 1.14 1.18 -0.38 6.30 0.00 -1.85 0.16 119.26 125.82 2g2k h ALA 82 Ca -0.48 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2g2k h ALA 82 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2g2k h ALA 82 CO 0.64 -0.12 0.25 -0.91 0.00 0.00 0.00 179.25 179.11 2g2k h ASN 83 N 0.57 0.40 -0.39 0.00 4.21 -1.93 -1.97 115.58 116.47 2g2k h ASN 83 Ca 0.44 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.79 2g2k h ASN 83 Cb 0.61 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 2g2k h ASN 83 CO -0.36 0.29 -0.34 0.11 -1.29 0.00 0.00 177.43 175.83 2g2k h LYS 84 N 0.47 0.94 -0.61 0.81 1.57 -1.06 -2.89 116.57 115.80 2g2k h LYS 84 Ca 0.14 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2g2k h LYS 84 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2g2k h LYS 84 CO -0.03 1.12 0.38 -0.07 -0.57 0.00 0.00 179.45 180.28 2g2k h LEU 85 N 0.78 0.71 -0.70 2.94 3.38 -0.80 -1.97 115.31 119.64 2g2k h LEU 85 Ca 0.07 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2g2k h LEU 85 Cb 0.93 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2g2k h LEU 85 CO 0.09 0.54 -0.34 1.56 0.09 0.00 0.00 178.44 180.37 2g2k h GLN 86 N 0.83 0.61 -0.29 1.13 4.20 -1.35 -1.92 115.11 118.31 2g2k h GLN 86 Ca 0.22 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2g2k h GLN 86 Cb -0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2g2k h GLN 86 CO -0.04 0.87 0.15 0.22 -0.67 0.00 0.00 178.83 179.36 2g2k h ASP 87 N 0.52 0.38 -0.04 1.46 3.58 -1.16 0.59 116.42 121.74 2g2k h ASP 87 Ca 0.06 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2g2k h ASP 87 Cb 0.84 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2g2k h ASP 87 CO 0.07 0.38 -0.08 0.00 -2.88 0.00 0.00 179.24 176.73 2g2k h MET 88 N 0.35 0.12 -0.26 0.28 -0.00 -1.47 -2.34 114.93 111.61 2g2k h MET 88 Ca 0.10 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.70 2g2k h MET 88 Cb 0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 2g2k h MET 88 CO -0.01 0.66 0.06 1.25 -0.00 0.00 0.00 176.91 178.86 2g2k h LEU 89 N -0.40 0.33 -1.10 -0.10 6.46 -1.33 -1.39 115.31 117.79 2g2k h LEU 89 Ca 0.00 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 2g2k h LEU 89 Cb 0.65 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 2g2k h LEU 89 CO 0.02 0.35 0.08 -0.78 -0.62 0.00 0.00 178.44 177.48 2g2k h ASP 90 N 0.37 0.67 -0.22 1.25 3.58 0.31 -1.89 116.42 120.48 2g2k h ASP 90 Ca 0.09 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2g2k h ASP 90 Cb 0.16 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2g2k h ASP 90 CO -0.00 0.69 0.09 1.23 -2.88 0.00 0.00 179.24 178.37 2g2k h GLY 91 N 0.92 0.42 0.82 -0.78 0.00 -0.69 -0.55 103.07 103.21 2g2k h GLY 91 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2g2k h GLY 91 CO 0.00 0.19 0.02 -2.75 0.00 0.00 0.00 176.54 174.00 2g2k h PHE 92 N 0.39 0.33 -0.27 5.60 3.04 -1.27 -2.79 116.94 121.97 2g2k h PHE 92 Ca 0.10 -0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 2g2k h PHE 92 Cb 0.12 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 2g2k h PHE 92 CO 0.00 0.48 -0.11 0.82 -2.02 0.00 0.00 178.31 177.48 2g2k h ILE 93 N 0.08 1.22 -0.28 1.41 2.04 -1.25 -2.19 117.51 118.54 2g2k h ILE 93 Ca 0.05 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.05 2g2k h ILE 93 Cb 0.33 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2g2k h ILE 93 CO 0.01 0.31 0.29 0.11 0.00 0.00 0.00 178.15 178.86 2g2k h LYS 94 N 0.42 0.00 -0.22 2.37 1.57 -0.84 -1.71 116.57 118.15 2g2k h LYS 94 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2g2k h LYS 94 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2g2k h LYS 94 CO 0.02 0.00 0.14 0.87 -0.57 0.00 0.00 179.45 179.91 2g2k h LYS 95 N 0.00 0.30 0.00 3.15 1.79 -1.32 -3.18 116.57 117.31 2g2k h LYS 95 Ca 0.13 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.49 2g2k h LYS 95 Cb 0.71 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 2g2k h LYS 95 CO -0.00 0.21 -1.34 1.97 -1.08 0.00 0.00 179.45 179.21 2g2k n PHE 96 N -4.49 0.00 -0.07 -1.35 -1.74 -0.72 -4.71 117.46 104.38 2g2k n PHE 96 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.82 2g2k n PHE 96 Cb 0.08 -0.24 -0.01 0.00 1.52 0.00 0.00 39.48 40.84 2g2k n PHE 96 CO 0.00 0.00 0.00 -0.39 -0.56 0.00 0.00 176.76 175.81 2g2k h VAL 97 N 0.00 0.76 0.00 1.97 -1.51 -1.46 -3.05 116.25 112.96 2g2k h VAL 97 Ca -0.13 -0.01 -0.59 0.00 -1.23 0.00 0.00 66.70 64.74 2g2k h VAL 97 Cb 1.24 0.72 0.02 0.00 -2.13 0.00 0.00 31.29 31.15 2g2k h VAL 97 CO -0.01 0.01 2.66 0.18 -1.23 0.00 0.00 177.57 179.17 2g2k n LEU 98 N -5.20 5.18 -4.77 4.19 7.99 -1.20 -4.38 117.00 118.81 2g2k n LEU 98 Ca -0.01 -3.23 -0.33 0.00 -0.01 0.00 0.00 56.01 52.44 2g2k n LEU 98 Cb 0.15 -1.24 0.05 0.00 -0.11 0.00 0.00 43.42 42.27 2g2k n LEU 98 CO 0.22 0.36 0.74 0.00 -1.51 0.00 0.00 177.39 177.20 2g2k n PRO 100 N -2.50 1.45 0.00 0.00 -0.04 -1.26 -2.07 135.00 130.59 2g2k n PRO 100 Ca 0.10 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 2g2k n PRO 100 Cb 0.52 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2g2k n PRO 100 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2g2k n GLU 101 N 3.15 0.00 -1.47 0.54 2.13 -1.26 -4.97 120.64 118.76 2g2k n GLU 101 Ca 0.31 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.14 2g2k n GLU 101 Cb 0.41 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.20 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2g2k n GLU 103 N -0.29 1.97 0.13 0.00 0.00 -0.88 -3.70 120.64 117.88 2g2k n GLU 103 Ca 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 57.16 56.15 2g2k n GLU 103 Cb 0.94 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 30.21 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 3.20 -2.34 -4.78 4.31 5.03 -1.26 -4.91 115.26 114.50 2g2k n ASN 104 Ca 0.42 0.59 -0.35 0.00 0.87 0.00 0.00 54.58 56.11 2g2k n ASN 104 Cb 0.46 2.36 -0.01 0.00 -1.02 0.00 0.00 39.78 41.56 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2g2k s PRO 105 N -1.69 3.55 -0.04 3.52 0.04 -1.24 -4.96 135.00 134.18 2g2k s PRO 105 Ca 0.00 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 2g2k s PRO 105 Cb 0.00 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2g2k s PRO 105 CO 0.00 -0.67 1.51 -2.00 0.04 0.00 0.00 177.00 175.88 2g2k s GLU 106 N -3.25 4.23 0.35 4.56 2.56 -1.26 -4.90 118.70 120.98 2g2k s GLU 106 Ca 0.70 2.05 0.08 0.00 0.00 0.00 0.00 54.97 57.80 2g2k s GLU 106 Cb -0.21 -3.76 -0.04 0.00 2.00 0.00 0.00 34.13 32.13 2g2k s GLU 106 CO 0.24 -0.72 0.19 0.95 -0.56 0.00 0.00 175.26 175.37 2g2k s THR 107 N 3.20 3.09 0.27 -1.70 -4.23 -1.26 -4.03 115.64 110.99 2g2k s THR 107 Ca 0.67 -1.60 0.10 0.00 -1.18 0.00 0.00 61.69 59.68 2g2k s THR 107 Cb -0.32 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 2g2k s THR 107 CO 0.27 -0.16 -0.03 -1.81 -0.54 0.00 0.00 174.62 172.34 2g2k s ASP 108 N -3.90 4.39 -0.09 3.99 1.01 0.18 -4.94 116.67 117.31 2g2k s ASP 108 Ca 0.39 -0.71 0.01 0.00 0.71 0.00 0.00 52.55 52.95 2g2k s ASP 108 Cb -0.03 -0.75 0.02 0.00 1.01 0.00 0.00 42.92 43.17 2g2k s ASP 108 CO 0.24 -0.00 -0.10 -1.48 0.21 0.00 0.00 175.17 174.03 2g2k s LEU 109 N -3.65 1.44 -0.19 1.23 2.34 -1.26 0.02 118.68 118.60 2g2k s LEU 109 Ca 0.31 -0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.20 2g2k s LEU 109 Cb -0.06 -0.85 0.02 0.00 -0.56 0.00 0.00 46.19 44.74 2g2k s LEU 109 CO 0.19 -0.04 -0.16 -1.38 -1.06 0.00 0.00 176.35 173.90 2g2k s HIS 110 N 1.17 2.85 -0.18 3.48 -3.43 0.01 -4.86 115.29 114.33 2g2k s HIS 110 Ca -0.05 -1.56 -0.12 0.00 -0.80 0.00 0.00 55.06 52.52 2g2k s HIS 110 Cb -0.14 -1.96 -0.05 0.00 -1.43 0.00 0.00 32.58 29.00 2g2k s HIS 110 CO -0.02 -0.77 0.24 0.08 -2.00 0.00 0.00 174.74 172.27 2g2k s VAL 111 N 1.31 5.34 -0.19 -5.38 1.01 -1.26 0.17 120.40 121.40 2g2k s VAL 111 Ca 0.04 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 2g2k s VAL 111 Cb -0.14 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2g2k s VAL 111 CO -0.11 0.40 0.27 0.20 0.00 0.00 0.00 175.10 175.86 2g2k s ASN 112 N 0.49 6.34 0.28 3.32 0.01 0.13 -4.57 114.94 120.94 2g2k s ASN 112 Ca 0.13 0.39 0.12 0.00 -0.71 0.00 0.00 52.86 52.79 2g2k s ASN 112 Cb -0.12 -2.17 0.37 0.00 0.41 0.00 0.00 41.25 39.74 2g2k s ASN 112 CO 0.02 0.06 1.61 1.55 -1.51 0.00 0.00 177.10 178.83 2g2k h PRO 113 N 7.03 0.00 -0.49 -0.60 0.13 -1.88 0.12 132.00 136.30 2g2k h PRO 113 Ca -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 2g2k h PRO 113 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2g2k h PRO 113 CO 0.73 0.60 -0.01 0.87 -0.23 0.00 0.00 178.00 179.95 2g2k h LYS 114 N 0.00 0.88 -0.02 0.86 1.79 -1.96 -2.99 116.57 115.13 2g2k h LYS 114 Ca -0.01 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2g2k h LYS 114 Cb 1.11 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2g2k h LYS 114 CO 0.08 0.92 -0.33 1.17 -1.08 0.00 0.00 179.45 180.21 2g2k n LYS 115 N -4.32 1.33 -3.75 3.15 3.00 -1.20 -4.97 118.16 111.41 2g2k n LYS 115 Ca 0.01 -1.04 -0.22 0.00 -0.00 0.00 0.00 58.31 57.06 2g2k n LYS 115 Cb 0.32 -1.48 0.02 0.00 0.00 0.00 0.00 35.03 33.90 2g2k n LYS 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2g2k n GLN 116 N 0.07 -4.71 -3.96 1.64 7.27 0.37 -4.98 117.38 113.08 2g2k n GLN 116 Ca 0.11 0.59 -0.08 0.00 0.07 0.00 0.00 57.00 57.69 2g2k n GLN 116 Cb 0.46 -5.10 -0.08 0.00 2.41 0.00 0.00 30.24 27.93 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2g2k s THR 117 N -3.70 0.15 -0.14 1.69 -4.23 -0.98 -4.99 115.64 103.44 2g2k s THR 117 Ca 0.03 -1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 2g2k s THR 117 Cb -0.02 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2g2k s THR 117 CO 0.82 -0.68 0.07 -0.63 -0.54 0.00 0.00 174.62 173.66 2g2k s ILE 118 N -3.91 4.89 0.19 2.99 1.01 -1.26 -0.69 121.20 124.42 2g2k s ILE 118 Ca 0.09 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.77 2g2k s ILE 118 Cb 0.06 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2g2k s ILE 118 CO -0.08 0.54 0.25 -0.83 0.00 0.00 0.00 174.94 174.82 2g2k s GLY 119 N -0.33 1.54 -0.06 6.18 0.00 0.46 0.23 107.32 115.34 2g2k s GLY 119 Ca 0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 2g2k s GLY 119 CO 0.02 -1.21 0.01 0.21 0.00 0.00 0.00 173.10 172.13 2g2k s ASN 120 N -3.48 1.35 -0.02 1.64 3.04 -1.08 -0.81 114.94 115.59 2g2k s ASN 120 Ca 0.33 -0.05 0.05 0.00 0.04 0.00 0.00 52.86 53.23 2g2k s ASN 120 Cb -0.10 -0.37 -0.01 0.00 -1.54 0.00 0.00 41.25 39.24 2g2k s ASN 120 CO 0.27 -0.19 -0.17 -0.55 -3.04 0.00 0.00 177.10 173.42 2g2k s SER 121 N 1.85 2.00 -0.11 -4.21 0.15 0.10 0.14 113.70 113.62 2g2k s SER 121 Ca 0.03 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 2g2k s SER 121 Cb -0.12 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2g2k s SER 121 CO -0.04 0.20 -0.09 0.00 1.20 0.00 0.00 173.24 174.50 2g2k n LYS 123 N 3.02 1.64 0.00 0.00 2.85 -1.26 -2.86 118.16 121.55 2g2k n LYS 123 Ca -0.18 -1.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 2g2k n LYS 123 Cb 0.53 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 1.27 1.66 -0.86 0.58 0.00 -1.26 -4.89 120.51 117.01 2g2k n ALA 124 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2g2k n ALA 124 Cb 0.62 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 1.73 0.00 0.00 0.00 -1.14 -4.93 105.19 100.85 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 -0.97 1.61 4.19 -1.26 -4.64 117.16 114.10 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 -0.15 0.00 0.00 0.49 0.00 0.00 39.34 39.68 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 -0.12 0.00 2.98 0.63 -1.22 -4.83 116.66 112.41 2g2k n ARG 128 Ca 0.00 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2g2k n ARG 128 Cb 0.00 -0.20 0.00 0.00 0.45 0.00 0.00 32.46 32.71 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 0.86 2.98 3.37 5.14 0.00 0.36 -4.89 105.19 113.01 2g2k n GLY 129 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2g2k n GLY 129 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2g2k s MET 130 N 2.50 1.35 -0.32 1.61 -1.94 -1.26 -2.62 119.30 118.63 2g2k s MET 130 Ca 0.00 -1.32 -0.02 0.00 -1.71 0.00 0.00 55.69 52.64 2g2k s MET 130 Cb 0.00 -1.81 0.06 0.00 2.01 0.00 0.00 34.83 35.09 2g2k s MET 130 CO 0.00 0.43 0.04 -1.17 -0.01 0.00 0.00 175.02 174.30 2g2k s LEU 131 N -2.04 4.13 0.04 -0.03 0.20 0.64 -3.77 118.68 117.85 2g2k s LEU 131 Ca 0.13 -1.37 0.00 0.00 0.69 0.00 0.00 54.13 53.58 2g2k s LEU 131 Cb -0.10 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 2g2k s LEU 131 CO 0.06 -0.31 0.00 -0.67 -0.29 0.00 0.00 176.35 175.14 2g2k n ASP 132 N 4.63 -0.33 0.00 3.68 2.03 -1.26 -4.19 116.55 121.11 2g2k n ASP 132 Ca -0.11 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2g2k n ASP 132 Cb 0.43 0.54 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2g2k n THR 133 N -2.31 0.00 -4.00 5.18 -1.04 -1.26 -4.66 114.28 106.19 2g2k n THR 133 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2g2k n THR 133 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2g2k n THR 133 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2g2k n HIS 134 N 0.00 -0.22 -1.48 -1.42 -0.00 -1.26 -5.05 115.22 105.79 2g2k n HIS 134 Ca 0.00 -0.52 -0.14 0.00 0.46 0.00 0.00 57.72 57.52 2g2k n HIS 134 Cb 0.00 0.23 -0.11 0.00 -0.12 0.00 0.00 29.99 29.99 2g2k n HIS 134 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2g2k n HIS 135 N -0.77 0.68 -4.22 1.57 -0.00 -1.26 -4.78 115.22 106.44 2g2k n HIS 135 Ca 0.04 -0.04 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2g2k n HIS 135 Cb 0.47 -1.84 -0.06 0.00 -0.00 0.00 0.00 29.99 28.56 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 7.33 0.34 0.30 -0.41 4.76 -1.26 -4.97 118.16 124.25 2g2k n LYS 136 Ca 0.45 -2.46 0.03 0.00 -2.87 0.00 0.00 58.31 53.46 2g2k n LYS 136 Cb 0.38 1.95 0.15 0.00 -1.84 0.00 0.00 35.03 35.67 2g2k n LYS 136 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 2g2k h LEU 137 N 0.00 0.00 -1.12 -0.35 -0.00 -1.86 0.15 115.31 112.13 2g2k h LEU 137 Ca -0.18 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.80 2g2k h LEU 137 Cb 0.88 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.47 2g2k h LEU 137 CO 0.26 0.00 0.61 0.00 -0.00 0.00 0.00 178.44 179.31 2g2k h THR 139 N 0.97 1.29 -0.30 0.00 2.02 -1.01 0.54 112.91 116.40 2g2k h THR 139 Ca 0.44 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 66.32 2g2k h THR 139 Cb 0.39 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2g2k h THR 139 CO -0.20 0.44 0.09 -0.26 0.37 0.00 0.00 175.52 175.97 2g2k h PHE 140 N 0.56 0.17 -0.41 3.16 -1.00 -1.47 -2.31 116.94 115.64 2g2k h PHE 140 Ca 0.08 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.75 2g2k h PHE 140 Cb 0.76 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 2g2k h PHE 140 CO 0.06 0.07 -0.21 -0.84 -1.61 0.00 0.00 178.31 175.78 2g2k h ILE 141 N 0.22 1.28 0.00 -0.55 3.07 -1.34 -2.63 117.51 117.57 2g2k h ILE 141 Ca 0.14 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.19 2g2k h ILE 141 Cb 0.12 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2g2k h ILE 141 CO -0.15 0.46 0.31 0.25 -1.05 0.00 0.00 178.15 177.97 2g2k h LEU 142 N 0.68 0.00 0.00 0.16 5.85 -0.33 0.28 115.31 121.95 2g2k h LEU 142 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2g2k h LEU 142 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2g2k h LEU 142 CO 0.06 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.45 2g2k n LYS 143 N -2.48 0.22 -3.86 1.25 -0.00 -0.99 -4.01 118.16 108.29 2g2k n LYS 143 Ca -0.01 0.14 -0.30 0.00 -0.00 0.00 0.00 58.31 58.13 2g2k n LYS 143 Cb 0.35 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.76 2g2k n LYS 143 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2g2k s ASN 144 N -2.56 4.90 0.14 -5.58 0.01 0.98 -5.07 114.94 107.76 2g2k s ASN 144 Ca 0.15 -3.57 -0.30 0.00 -0.71 0.00 0.00 52.86 48.42 2g2k s ASN 144 Cb 0.10 -1.69 -0.07 0.00 0.41 0.00 0.00 41.25 40.00 2g2k s ASN 144 CO 0.23 -0.15 1.21 -2.16 -1.51 0.00 0.00 177.10 174.72 2g2k s PRO 145 N -1.07 4.46 0.10 -0.60 0.04 -1.26 -5.03 135.00 131.65 2g2k s PRO 145 Ca 0.23 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2g2k s PRO 145 Cb -0.11 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2g2k s PRO 145 CO -0.11 -0.16 0.10 -0.35 0.04 0.00 0.00 177.00 176.52 2g2k n PRO 146 N 3.08 -0.83 -3.81 0.56 -0.04 -1.26 -5.06 135.00 127.64 2g2k n PRO 146 Ca 0.06 -0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 2g2k n PRO 146 Cb 0.45 -0.14 -0.17 0.00 -0.04 0.00 0.00 33.50 33.60 2g2k n PRO 146 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2g2k s GLU 147 N -3.23 0.58 0.33 0.54 -6.30 -1.26 -4.84 118.70 104.52 2g2k s GLU 147 Ca 0.06 0.10 0.02 0.00 -2.50 0.00 0.00 54.97 52.65 2g2k s GLU 147 Cb -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 34.13 33.20 2g2k s GLU 147 CO 0.05 -0.27 0.37 -0.80 0.02 0.00 0.00 175.26 174.62 2g2k s ASN 148 N 1.83 1.24 0.00 -1.70 0.01 -1.26 -5.18 114.94 109.88 2g2k s ASN 148 Ca 0.03 -1.61 0.00 0.00 -0.71 0.00 0.00 52.86 50.57 2g2k s ASN 148 Cb -0.12 0.60 0.00 0.00 0.41 0.00 0.00 41.25 42.13 2g2k s ASN 148 CO -0.04 -1.17 0.00 -0.24 -1.51 0.00 0.00 177.10 174.14 2g2k n SER 149 N -1.42 0.00 -0.96 -1.22 2.88 -1.26 -5.04 113.62 106.61 2g2k n SER 149 Ca 0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.66 2g2k n SER 149 Cb 0.62 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.31 2g2k n SER 149 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2g2k n ASP 150 N 0.00 3.54 -3.62 -3.46 -0.08 -1.26 -5.01 116.55 106.65 2g2k n ASP 150 Ca 0.00 -2.20 0.02 0.00 -1.51 0.00 0.00 54.79 51.10 2g2k n ASP 150 Cb 0.00 -0.38 -0.00 0.00 2.34 0.00 0.00 41.12 43.08 2g2k n ASP 150 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2g2k s SER 151 N -1.11 -0.04 0.00 1.67 0.15 -1.26 -5.03 113.70 108.08 2g2k s SER 151 Ca 0.35 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2g2k s SER 151 Cb 0.21 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2g2k s SER 151 CO 0.20 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2g2k n GLY 152 N -0.53 0.92 3.56 9.45 0.00 -1.26 -4.96 105.19 112.37 2g2k n GLY 152 Ca -0.08 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2g2k n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g2k s THR 153 N -2.43 3.23 0.00 2.61 -4.23 -1.26 -4.65 115.64 108.91 2g2k s THR 153 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2g2k s THR 153 Cb 0.00 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.29 2g2k s THR 153 CO 0.00 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 2g2k n GLY 154 N 6.37 4.11 0.00 3.99 0.00 -1.26 -5.10 105.19 113.30 2g2k n GLY 154 Ca 0.36 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.00 0.00 1.61 2.85 -1.26 -5.24 118.16 116.12 2g2k n LYS 155 Ca 0.00 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.42 2g2k n LYS 155 Cb 0.00 0.00 0.94 0.00 -0.65 0.00 0.00 35.03 35.32 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52