#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 0.04 1.45 2.88 -1.26 -5.06 113.62 111.67 2g2k n SER 2 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2g2k n SER 2 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2g2k n SER 2 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2g2k h VAL 3 N 0.00 1.18 -3.33 2.46 2.07 -2.10 -3.45 116.25 113.09 2g2k h VAL 3 Ca 0.00 -2.48 -0.57 0.00 0.82 0.00 0.00 66.70 64.47 2g2k h VAL 3 Cb 0.00 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 2g2k h VAL 3 CO 0.00 0.74 0.00 0.54 0.02 0.00 0.00 177.57 178.87 2g2k s ASN 4 N -7.11 6.96 0.36 0.57 2.20 -1.26 -4.95 114.94 111.71 2g2k s ASN 4 Ca -0.16 1.15 0.17 0.00 -0.94 0.00 0.00 52.86 53.07 2g2k s ASN 4 Cb 0.03 -2.37 0.64 0.00 -2.00 0.00 0.00 41.25 37.56 2g2k s ASN 4 CO 0.81 0.04 1.73 0.58 -2.94 0.00 0.00 177.10 177.32 2g2k h VAL 5 N 4.31 1.01 -4.39 3.54 2.07 -2.03 -3.44 116.25 117.31 2g2k h VAL 5 Ca -0.44 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2g2k h VAL 5 Cb 1.20 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2g2k h VAL 5 CO 0.71 0.41 -0.98 0.59 0.02 0.00 0.00 177.57 178.32 2g2k n ASN 6 N -3.62 -9.23 0.09 0.57 3.02 -1.26 -4.42 115.26 100.39 2g2k n ASN 6 Ca -0.01 1.41 -0.03 0.00 -0.03 0.00 0.00 54.58 55.92 2g2k n ASN 6 Cb 0.51 -5.18 0.19 0.00 -0.61 0.00 0.00 39.78 34.69 2g2k n ASN 6 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2g2k h ARG 7 N 4.21 0.25 0.00 3.52 0.11 -2.01 -3.00 114.38 117.47 2g2k h ARG 7 Ca 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2g2k h ARG 7 Cb 0.00 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2g2k h ARG 7 CO 0.00 0.68 -0.97 0.43 0.10 0.00 0.00 179.97 180.20 2g2k n SER 8 N -3.98 0.63 0.00 0.08 7.64 -1.26 -4.92 113.62 111.81 2g2k n SER 8 Ca -0.02 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2g2k n SER 8 Cb 0.52 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 2g2k n SER 8 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2g2k n VAL 9 N -1.88 0.00 -1.58 0.44 0.31 -1.13 -4.43 118.33 110.05 2g2k n VAL 9 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.97 2g2k n VAL 9 Cb 0.42 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.39 2g2k n VAL 9 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2g2k n MET 10 N 0.00 0.93 -4.19 5.55 0.00 -1.26 -4.99 117.12 113.17 2g2k n MET 10 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 57.70 57.78 2g2k n MET 10 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 33.22 31.12 2g2k n MET 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2g2k s ASP 11 N -1.08 4.86 0.14 3.17 1.47 -1.26 -5.01 116.67 118.95 2g2k s ASP 11 Ca 0.71 -0.35 0.26 0.00 1.18 0.00 0.00 52.55 54.35 2g2k s ASP 11 Cb -0.46 -1.07 0.77 0.00 -0.34 0.00 0.00 42.92 41.82 2g2k s ASP 11 CO 0.51 0.10 1.68 0.00 0.68 0.00 0.00 175.17 178.14 2g2k n GLN 12 N -0.08 0.20 0.31 2.11 10.64 -1.26 -3.54 117.38 125.77 2g2k n GLN 12 Ca -0.10 0.13 0.18 0.00 -1.83 0.00 0.00 57.00 55.39 2g2k n GLN 12 Cb 0.55 -1.70 1.01 0.00 -0.86 0.00 0.00 30.24 29.24 2g2k n GLN 12 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 2g2k h PHE 13 N 0.00 0.00 0.00 2.61 3.04 -2.01 -3.42 116.94 117.15 2g2k h PHE 13 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2g2k h PHE 13 Cb 0.68 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2g2k h PHE 13 CO 0.00 0.02 0.00 0.98 -2.02 0.00 0.00 178.31 177.29 2g2k n TYR 14 N -3.47 0.00 0.00 0.41 9.36 -1.23 -4.98 117.16 117.24 2g2k n TYR 14 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 2g2k n TYR 14 Cb 0.11 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2g2k n ARG 15 N 0.00 0.00 -4.04 2.98 0.63 -1.24 -4.73 116.66 110.26 2g2k n ARG 15 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 2g2k n ARG 15 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2g2k n ARG 15 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 2g2k s TYR 16 N 0.00 3.22 0.16 -0.14 1.13 -1.26 -5.12 117.35 115.34 2g2k s TYR 16 Ca 0.00 0.06 0.03 0.00 -1.41 0.00 0.00 57.07 55.76 2g2k s TYR 16 Cb 0.00 -1.60 -0.05 0.00 -1.10 0.00 0.00 41.96 39.21 2g2k s TYR 16 CO 0.00 0.53 -0.05 0.21 -2.51 0.00 0.00 175.55 173.72 2g2k s LYS 17 N -2.66 1.09 0.01 -3.49 2.20 -1.26 -5.15 119.74 110.48 2g2k s LYS 17 Ca 0.31 -1.50 -0.07 0.00 -0.36 0.00 0.00 55.97 54.35 2g2k s LYS 17 Cb -0.12 -0.49 -0.00 0.00 -1.51 0.00 0.00 37.83 35.72 2g2k s LYS 17 CO 0.23 -0.02 0.13 -1.64 -0.36 0.00 0.00 175.35 173.69 2g2k s MET 18 N -3.82 0.49 0.26 4.03 -1.94 -1.26 -5.04 119.30 112.03 2g2k s MET 18 Ca 0.20 -0.45 0.10 0.00 -1.71 0.00 0.00 55.69 53.84 2g2k s MET 18 Cb 0.04 0.20 0.32 0.00 2.01 0.00 0.00 34.83 37.40 2g2k s MET 18 CO 0.02 -0.12 1.59 -1.00 -0.01 0.00 0.00 175.02 175.50 2g2k h PRO 19 N 4.21 0.00 -2.47 2.03 0.13 -2.01 -3.49 132.00 130.40 2g2k h PRO 19 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2g2k h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2g2k h PRO 19 CO 0.42 0.64 -0.64 -2.13 -0.23 0.00 0.00 178.00 176.06 2g2k n ARG 20 N -3.76 -2.76 -3.64 0.86 3.00 -1.26 -4.90 116.66 104.21 2g2k n ARG 20 Ca -0.01 2.13 -0.37 0.00 -0.00 0.00 0.00 57.85 59.60 2g2k n ARG 20 Cb 0.64 -2.63 -0.06 0.00 0.00 0.00 0.00 32.46 30.40 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2g2k s LEU 21 N -4.40 4.44 0.03 6.15 2.96 -1.26 -4.88 118.68 121.73 2g2k s LEU 21 Ca 0.00 0.79 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 2g2k s LEU 21 Cb 0.00 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 2g2k s LEU 21 CO 0.00 0.35 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.51 2g2k s ILE 22 N -1.08 1.92 -0.06 6.68 -1.09 -1.26 -4.70 121.20 121.61 2g2k s ILE 22 Ca 0.21 -1.26 0.04 0.00 -2.23 0.00 0.00 60.65 57.42 2g2k s ILE 22 Cb -0.15 -1.65 -0.00 0.00 -1.58 0.00 0.00 42.46 39.08 2g2k s ILE 22 CO 0.11 0.34 -0.20 0.00 -1.23 0.00 0.00 174.94 173.95 2g2k s ALA 23 N -0.76 1.80 -0.00 9.38 0.00 -1.26 -4.35 121.76 126.56 2g2k s ALA 23 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2g2k s ALA 23 Cb -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2g2k s ALA 23 CO 0.01 0.30 -0.00 0.15 0.00 0.00 0.00 175.76 176.22 2g2k s LYS 24 N 0.12 0.06 -0.23 0.00 1.02 -1.03 -4.89 119.74 114.79 2g2k s LYS 24 Ca -0.08 0.01 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 2g2k s LYS 24 Cb -0.14 -0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 2g2k s LYS 24 CO 0.04 -0.02 0.45 0.08 -0.92 0.00 0.00 175.35 174.99 2g2k s VAL 25 N 0.19 5.14 -0.03 3.17 1.01 -1.26 0.14 120.40 128.75 2g2k s VAL 25 Ca -0.02 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 2g2k s VAL 25 Cb -0.03 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2g2k s VAL 25 CO -0.01 0.17 0.07 -0.70 0.00 0.00 0.00 175.10 174.63 2g2k s GLU 26 N 1.84 0.02 0.00 2.72 -6.30 -0.39 -4.93 118.70 111.67 2g2k s GLU 26 Ca 0.20 0.20 0.00 0.00 -2.50 0.00 0.00 54.97 52.86 2g2k s GLU 26 Cb -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 34.13 33.83 2g2k s GLU 26 CO 0.09 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2g2k n GLY 27 N 3.83 0.10 3.61 -1.50 0.00 -1.26 -3.95 105.19 106.02 2g2k n GLY 27 Ca -0.22 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 1.84 0.22 1.61 1.02 -1.26 -4.97 119.74 118.20 2g2k s LYS 28 Ca 0.00 -1.46 -0.00 0.00 0.02 0.00 0.00 55.97 54.53 2g2k s LYS 28 Cb 0.00 0.50 0.21 0.00 -0.52 0.00 0.00 37.83 38.02 2g2k s LYS 28 CO 0.00 -0.79 1.57 0.78 -0.92 0.00 0.00 175.35 175.99 2g2k h GLY 29 N 2.13 0.51 0.01 -3.33 0.00 -2.01 -3.03 103.07 97.36 2g2k h GLY 29 Ca -0.28 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2g2k h GLY 29 CO 0.37 0.50 -1.86 -2.01 0.00 0.00 0.00 176.54 173.55 2g2k n ASN 30 N -3.98 0.14 0.02 0.19 2.85 -1.26 -4.43 115.26 108.79 2g2k n ASN 30 Ca -0.02 -0.13 -0.13 0.00 -0.11 0.00 0.00 54.58 54.19 2g2k n ASN 30 Cb 0.56 1.85 -0.09 0.00 1.24 0.00 0.00 39.78 43.34 2g2k n ASN 30 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2g2k h GLY 31 N 4.14 -0.05 -5.24 8.20 0.00 -1.93 -3.49 103.07 104.70 2g2k h GLY 31 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2g2k h GLY 31 CO 0.00 -0.02 -1.13 1.39 0.00 0.00 0.00 176.54 176.78 2g2k n ILE 32 N -4.93-11.17 -4.54 2.60 2.08 -1.15 -4.59 119.36 97.66 2g2k n ILE 32 Ca -0.08 1.95 -0.21 0.00 0.56 0.00 0.00 62.75 64.96 2g2k n ILE 32 Cb 0.21 -6.39 -0.14 0.00 -0.75 0.00 0.00 39.64 32.57 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 -1.28 1.06 -0.19 0.38 2.20 -1.25 -0.75 119.74 119.91 2g2k s LYS 33 Ca -0.08 -0.59 -0.13 0.00 -0.36 0.00 0.00 55.97 54.81 2g2k s LYS 33 Cb 0.01 -1.04 -0.05 0.00 -1.51 0.00 0.00 37.83 35.24 2g2k s LYS 33 CO 0.70 0.28 0.28 0.99 -0.36 0.00 0.00 175.35 177.24 2g2k s THR 34 N -0.50 5.30 -0.21 3.43 2.01 0.20 -1.27 115.64 124.60 2g2k s THR 34 Ca 0.04 0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 2g2k s THR 34 Cb -0.06 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2g2k s THR 34 CO 0.00 0.35 -0.12 0.54 -0.69 0.00 0.00 174.62 174.70 2g2k s VAL 35 N 0.79 2.56 -0.06 3.82 0.11 0.36 0.18 120.40 128.16 2g2k s VAL 35 Ca 0.14 -0.92 -0.13 0.00 -2.93 0.00 0.00 61.98 58.15 2g2k s VAL 35 Cb -0.13 -2.19 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 2g2k s VAL 35 CO 0.04 0.38 0.32 -0.63 -3.33 0.00 0.00 175.10 171.89 2g2k s ILE 36 N 1.33 5.20 -0.07 7.04 1.01 -1.23 -2.45 121.20 132.02 2g2k s ILE 36 Ca 0.03 0.64 0.21 0.00 0.00 0.00 0.00 60.65 61.52 2g2k s ILE 36 Cb -0.15 -3.62 -0.31 0.00 0.01 0.00 0.00 42.46 38.39 2g2k s ILE 36 CO -0.08 0.55 0.37 0.52 0.00 0.00 0.00 174.94 176.30 2g2k n VAL 37 N 2.22 0.34 -0.49 2.92 0.31 -1.26 -4.24 118.33 118.12 2g2k n VAL 37 Ca -0.15 -0.58 0.11 0.00 -0.01 0.00 0.00 64.34 63.71 2g2k n VAL 37 Cb 0.53 -0.11 0.34 0.00 -0.91 0.00 0.00 33.84 33.69 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 -2.37 4.35 -0.17 4.52 4.13 -1.26 -4.46 115.26 120.00 2g2k n ASN 38 Ca -0.11 -2.21 0.19 0.00 1.68 0.00 0.00 54.58 54.12 2g2k n ASN 38 Cb 0.71 -0.53 0.55 0.00 -1.54 0.00 0.00 39.78 38.97 2g2k n ASN 38 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 2g2k h MET 39 N 4.19 0.30 -0.38 3.52 2.86 -1.95 0.25 114.93 123.72 2g2k h MET 39 Ca 0.00 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 2g2k h MET 39 Cb 1.21 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2g2k h MET 39 CO 0.11 0.20 -0.31 0.28 1.06 0.00 0.00 176.91 178.25 2g2k h VAL 40 N 0.31 1.28 0.02 -2.22 2.07 -1.91 -1.06 116.25 114.73 2g2k h VAL 40 Ca 0.39 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2g2k h VAL 40 Cb 1.06 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2g2k h VAL 40 CO -0.11 0.49 -0.01 0.44 0.02 0.00 0.00 177.57 178.40 2g2k h ASP 41 N 0.70 -0.02 -0.59 0.57 3.32 -1.28 0.10 116.42 119.23 2g2k h ASP 41 Ca 0.08 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 2g2k h ASP 41 Cb 0.86 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2g2k h ASP 41 CO 0.08 0.09 0.04 1.62 -1.72 0.00 0.00 179.24 179.34 2g2k h VAL 42 N -0.13 1.26 -0.34 -1.35 3.04 -1.46 -2.78 116.25 114.49 2g2k h VAL 42 Ca -0.00 -1.09 -0.06 0.00 -1.01 0.00 0.00 66.70 64.54 2g2k h VAL 42 Cb 0.13 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 2g2k h VAL 42 CO 0.00 0.39 -0.06 0.00 -1.01 0.00 0.00 177.57 176.90 2g2k h ALA 43 N 0.99 1.26 -0.70 3.17 0.00 -1.02 -2.78 119.26 120.17 2g2k h ALA 43 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2g2k h ALA 43 Cb 0.50 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2g2k h ALA 43 CO 0.02 0.49 0.42 -0.22 0.00 0.00 0.00 179.25 179.96 2g2k h LYS 44 N 0.53 0.77 0.00 0.00 3.11 -0.51 0.71 116.57 121.18 2g2k h LYS 44 Ca 0.10 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2g2k h LYS 44 Cb 0.43 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2g2k h LYS 44 CO 0.02 0.51 0.00 0.00 -2.81 0.00 0.00 179.45 177.17 2g2k h ALA 45 N 1.33 1.00 -0.01 5.00 0.00 -1.43 -1.87 119.26 123.27 2g2k h ALA 45 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2g2k h ALA 45 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2g2k h ALA 45 CO -0.14 0.00 -0.21 -0.11 0.00 0.00 0.00 179.25 178.79 2g2k n LEU 46 N -2.45 1.47 0.00 0.00 0.00 0.20 -4.95 117.00 111.27 2g2k n LEU 46 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 56.01 55.56 2g2k n LEU 46 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.58 2g2k n LEU 46 CO 0.20 0.26 0.00 0.59 0.00 0.00 0.00 177.39 178.44 2g2k n ASN 47 N -0.18 0.00 -4.84 1.96 3.02 -0.70 -4.86 115.26 109.67 2g2k n ASN 47 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 2g2k n ASN 47 Cb 0.39 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.67 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2g2k s ARG 48 N 0.00 1.52 0.45 3.52 0.52 -1.26 -4.89 118.95 118.81 2g2k s ARG 48 Ca 0.00 0.22 -0.23 0.00 -0.52 0.00 0.00 55.73 55.21 2g2k s ARG 48 Cb 0.00 -1.89 -0.08 0.00 0.52 0.00 0.00 34.95 33.50 2g2k s ARG 48 CO 0.00 -1.92 1.10 -1.25 0.02 0.00 0.00 175.30 173.25 2g2k s PRO 49 N -5.41 3.87 0.42 3.54 0.04 -1.26 -4.69 135.00 131.51 2g2k s PRO 49 Ca 0.63 1.60 0.23 0.00 0.04 0.00 0.00 61.00 63.50 2g2k s PRO 49 Cb -0.13 -2.37 0.73 0.00 0.04 0.00 0.00 34.50 32.77 2g2k s PRO 49 CO 0.51 -0.42 1.74 -1.00 0.04 0.00 0.00 177.00 177.88 2g2k h PRO 50 N 2.05 0.00 -0.04 0.56 0.13 -1.90 -3.09 132.00 129.72 2g2k h PRO 50 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2g2k h PRO 50 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2g2k h PRO 50 CO 0.60 0.24 0.12 1.79 -0.23 0.00 0.00 178.00 180.52 2g2k h THR 51 N 0.00 0.16 0.00 1.56 1.35 -1.97 0.45 112.91 114.46 2g2k h THR 51 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2g2k h THR 51 Cb 0.88 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2g2k h THR 51 CO 0.03 0.00 -0.01 1.88 -0.25 0.00 0.00 175.52 177.17 2g2k h TYR 52 N 0.00 0.00 -0.03 4.73 -1.99 -1.94 -3.36 116.97 114.38 2g2k h TYR 52 Ca 0.02 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.62 2g2k h TYR 52 Cb 0.25 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2g2k h TYR 52 CO 0.00 0.16 -0.56 -1.00 -0.00 0.00 0.00 178.16 176.76 2g2k h PRO 53 N -1.00 0.08 0.00 4.88 0.13 -1.67 -2.93 132.00 131.50 2g2k h PRO 53 Ca -0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2g2k h PRO 53 Cb 0.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2g2k h PRO 53 CO -0.00 0.62 0.07 -2.37 -0.23 0.00 0.00 178.00 176.09 2g2k n THR 54 N -3.88 1.08 -0.11 1.56 5.66 0.16 -1.91 114.28 116.82 2g2k n THR 54 Ca -0.02 0.70 -0.10 0.00 -3.05 0.00 0.00 64.05 61.59 2g2k n THR 54 Cb 0.57 -1.70 -0.02 0.00 -1.55 0.00 0.00 70.33 67.63 2g2k n THR 54 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2g2k h LYS 55 N 0.00 0.54 -0.62 1.09 1.63 -1.66 -2.73 116.57 114.82 2g2k h LYS 55 Ca 0.00 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.61 2g2k h LYS 55 Cb 0.14 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2g2k h LYS 55 CO 0.00 0.58 0.10 -0.92 -3.45 0.00 0.00 179.45 175.76 2g2k h TYR 56 N 0.40 1.06 -0.67 1.91 3.20 -1.61 -2.83 116.97 118.43 2g2k h TYR 56 Ca 0.11 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2g2k h TYR 56 Cb 0.27 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2g2k h TYR 56 CO 0.01 0.89 0.39 0.74 -1.64 0.00 0.00 178.16 178.55 2g2k h PHE 57 N 0.94 0.72 -0.56 -3.82 0.04 -1.59 -1.15 116.94 111.52 2g2k h PHE 57 Ca 0.19 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.00 2g2k h PHE 57 Cb 0.41 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 2g2k h PHE 57 CO 0.03 0.37 0.37 0.78 -0.60 0.00 0.00 178.31 179.26 2g2k h GLY 58 N 0.74 0.76 0.90 -1.45 0.00 -1.24 -1.48 103.07 101.30 2g2k h GLY 58 Ca 0.29 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.41 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 0.85 0.05 -0.29 0.00 4.39 -1.19 -2.77 114.58 115.62 2g2k h GLU 60 Ca 0.36 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2g2k h GLU 60 Cb 0.30 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2g2k h GLU 60 CO -0.13 0.37 0.00 1.47 -1.16 0.00 0.00 179.01 179.55 2g2k n LEU 61 N -4.89 0.29 0.00 1.33 -0.00 -0.95 -4.81 117.00 107.96 2g2k n LEU 61 Ca -0.08 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 2g2k n LEU 61 Cb 0.19 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2g2k n LEU 61 CO 0.34 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.41 2g2k n GLY 62 N 0.35 0.09 3.56 1.47 0.00 -0.59 -4.87 105.19 105.20 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 -1.18 2.99 0.00 4.61 0.00 0.07 -4.96 121.76 123.29 2g2k s ALA 63 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2g2k s ALA 63 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2g2k s ALA 63 CO 0.00 0.12 0.00 1.04 0.00 0.00 0.00 175.76 176.92 2g2k n GLN 64 N -0.81 0.00 -4.05 0.00 6.02 -1.26 -3.14 117.38 114.14 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 2.73 0.00 -0.07 5.09 -4.23 -1.26 -3.40 115.64 114.50 2g2k s THR 65 Ca 0.00 -1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 2g2k s THR 65 Cb 0.00 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.57 2g2k s THR 65 CO 0.00 0.00 0.18 -1.10 -0.54 0.00 0.00 174.62 173.16 2g2k s GLN 66 N -4.01 0.20 0.02 3.99 -1.52 0.57 -4.70 119.66 114.22 2g2k s GLN 66 Ca 0.27 0.25 0.06 0.00 -1.95 0.00 0.00 55.36 53.99 2g2k s GLN 66 Cb 0.01 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.87 2g2k s GLN 66 CO 0.10 -0.03 -0.18 -0.06 -0.25 0.00 0.00 175.29 174.87 2g2k s PHE 67 N 0.13 1.58 -0.18 0.91 0.08 -1.26 -0.91 117.98 118.33 2g2k s PHE 67 Ca -0.00 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2g2k s PHE 67 Cb -0.02 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2g2k s PHE 67 CO -0.00 0.04 -0.13 0.34 -0.10 0.00 0.00 175.22 175.37 2g2k s ASP 68 N -0.91 3.10 -0.15 1.36 -1.08 -0.55 -4.98 116.67 113.46 2g2k s ASP 68 Ca 0.06 -0.71 -0.17 0.00 -0.52 0.00 0.00 52.55 51.21 2g2k s ASP 68 Cb -0.08 -1.25 -0.24 0.00 -1.46 0.00 0.00 42.92 39.89 2g2k s ASP 68 CO 0.01 -0.09 0.39 -0.37 0.52 0.00 0.00 175.17 175.63 2g2k h VAL 69 N 6.21 0.94 0.00 1.11 -1.51 -1.95 0.98 116.25 122.03 2g2k h VAL 69 Ca -0.34 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 62.83 2g2k h VAL 69 Cb 1.12 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.79 2g2k h VAL 69 CO 0.52 0.58 0.00 0.29 -1.23 0.00 0.00 177.57 177.73 2g2k n LYS 70 N -4.07 0.12 -0.01 5.19 4.76 -1.26 -2.79 118.16 120.10 2g2k n LYS 70 Ca -0.28 0.19 -0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2g2k n LYS 70 Cb 0.82 -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 0.09 -1.37 0.00 0.00 177.40 176.12 2g2k n ASN 71 N -1.38 4.58 -0.56 4.39 3.02 -1.24 -5.00 115.26 119.07 2g2k n ASN 71 Ca 0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.53 2g2k n ASN 71 Cb 0.14 0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 40.04 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 -1.86 -4.53 -4.37 6.41 8.00 0.34 -4.98 116.55 115.56 2g2k n ASP 72 Ca -0.02 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 2g2k n ASP 72 Cb 0.35 -2.67 -0.14 0.00 -0.02 0.00 0.00 41.12 38.64 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 -2.28 3.40 -0.14 -1.24 1.81 -1.10 -4.92 118.95 114.47 2g2k s ARG 73 Ca 0.00 -0.68 -0.01 0.00 -1.72 0.00 0.00 55.73 53.32 2g2k s ARG 73 Cb 0.00 -2.65 -0.02 0.00 -0.45 0.00 0.00 34.95 31.83 2g2k s ARG 73 CO 0.00 0.21 -0.10 0.71 -0.68 0.00 0.00 175.30 175.43 2g2k s TYR 74 N 0.37 2.87 0.11 -0.53 2.02 -1.26 -1.48 117.35 119.45 2g2k s TYR 74 Ca -0.10 -0.60 0.10 0.00 -0.37 0.00 0.00 57.07 56.10 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 -0.24 0.42 -1.57 0.00 0.00 175.55 174.02 2g2k s ILE 75 N 0.44 2.47 -0.10 2.71 1.01 -0.09 -3.56 121.20 124.07 2g2k s ILE 75 Ca -0.08 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 58.97 2g2k s ILE 75 Cb -0.15 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 2g2k s ILE 75 CO 0.04 0.13 -0.12 0.54 0.00 0.00 0.00 174.94 175.54 2g2k s VAL 76 N -1.05 3.22 0.39 2.92 0.11 0.48 0.21 120.40 126.68 2g2k s VAL 76 Ca 0.15 -0.63 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 2g2k s VAL 76 Cb -0.10 -2.33 -0.12 0.00 -1.53 0.00 0.00 36.38 32.30 2g2k s VAL 76 CO 0.07 0.55 0.90 0.59 -3.33 0.00 0.00 175.10 173.88 2g2k n ASN 77 N 3.01 0.77 0.00 3.54 3.02 -1.22 0.60 115.26 124.97 2g2k n ASN 77 Ca -0.18 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 2g2k n ASN 77 Cb 0.53 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2g2k n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g2k n GLY 78 N 1.33 0.37 3.60 7.41 0.00 0.07 -4.50 105.19 113.47 2g2k n GLY 78 Ca 0.10 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.31 6.17 0.02 1.61 1.04 -1.24 -0.45 113.70 120.53 2g2k s SER 79 Ca 0.00 0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 2g2k s SER 79 Cb 0.00 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 2g2k s SER 79 CO 0.00 -0.13 0.05 -1.38 0.98 0.00 0.00 173.24 172.77 2g2k s HIS 80 N 1.91 0.19 0.33 5.02 -3.43 -1.26 -4.96 115.29 113.09 2g2k s HIS 80 Ca 0.12 -0.42 -0.02 0.00 -0.80 0.00 0.00 55.06 53.94 2g2k s HIS 80 Cb -0.16 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.81 2g2k s HIS 80 CO 0.10 -0.27 0.57 -2.00 -2.00 0.00 0.00 174.74 171.14 2g2k s GLU 81 N -1.80 3.55 0.25 -0.38 2.12 -1.26 -4.59 118.70 116.58 2g2k s GLU 81 Ca -0.12 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 2g2k s GLU 81 Cb -0.06 -2.64 0.45 0.00 0.26 0.00 0.00 34.13 32.14 2g2k s GLU 81 CO -0.01 0.15 1.75 0.00 -0.54 0.00 0.00 175.26 176.61 2g2k h ALA 82 N 1.12 1.10 -0.25 6.30 0.00 -1.87 0.14 119.26 125.81 2g2k h ALA 82 Ca -0.49 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2g2k h ALA 82 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2g2k h ALA 82 CO 0.64 -0.15 -0.10 -0.97 0.00 0.00 0.00 179.25 178.67 2g2k h ASN 83 N 0.52 0.38 -0.57 0.00 -0.73 -1.93 -2.53 115.58 110.71 2g2k h ASN 83 Ca 0.41 -0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.47 2g2k h ASN 83 Cb 0.58 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 2g2k h ASN 83 CO -0.37 0.52 0.23 0.50 -0.37 0.00 0.00 177.43 177.95 2g2k h LYS 84 N 0.38 0.90 -0.30 6.67 3.11 -1.10 -2.09 116.57 124.13 2g2k h LYS 84 Ca 0.08 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2g2k h LYS 84 Cb 0.41 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 2g2k h LYS 84 CO 0.02 0.74 0.20 -0.07 -2.81 0.00 0.00 179.45 177.53 2g2k h LEU 85 N 0.88 0.35 -0.76 5.20 4.07 -0.97 -1.23 115.31 122.84 2g2k h LEU 85 Ca 0.21 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 58.04 2g2k h LEU 85 Cb 0.19 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2g2k h LEU 85 CO -0.02 0.26 -0.28 -0.61 -1.08 0.00 0.00 178.44 176.71 2g2k h GLN 86 N 0.41 0.63 -0.20 1.13 4.15 -1.40 -0.87 115.11 118.96 2g2k h GLN 86 Ca 0.11 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 2g2k h GLN 86 Cb -0.04 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2g2k h GLN 86 CO -0.02 0.84 -0.04 0.22 -1.93 0.00 0.00 178.83 177.90 2g2k h ASP 87 N 0.55 0.38 -0.07 -0.69 1.82 -1.12 -1.87 116.42 115.41 2g2k h ASP 87 Ca 0.07 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.32 2g2k h ASP 87 Cb 0.76 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 2g2k h ASP 87 CO 0.06 0.65 -0.08 0.00 -1.61 0.00 0.00 179.24 178.26 2g2k h MET 88 N 0.11 0.18 -0.68 0.28 -0.00 -1.38 -2.80 114.93 110.63 2g2k h MET 88 Ca 0.05 -0.10 0.15 0.00 -0.00 0.00 0.00 59.70 59.81 2g2k h MET 88 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.04 2g2k h MET 88 CO 0.02 0.62 0.47 1.25 -0.00 0.00 0.00 176.91 179.27 2g2k h LEU 89 N -0.25 0.24 -1.12 -0.10 6.46 -1.20 0.22 115.31 119.55 2g2k h LEU 89 Ca 0.01 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 2g2k h LEU 89 Cb 0.59 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2g2k h LEU 89 CO 0.02 0.12 0.09 -0.78 -0.62 0.00 0.00 178.44 177.27 2g2k h ASP 90 N 0.25 0.66 -0.64 1.25 1.82 -1.07 -2.33 116.42 116.36 2g2k h ASP 90 Ca 0.33 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 2g2k h ASP 90 Cb 0.94 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.75 2g2k h ASP 90 CO -0.07 0.67 0.33 1.23 -1.61 0.00 0.00 179.24 179.79 2g2k h GLY 91 N 0.91 1.00 1.04 -0.78 0.00 -0.42 -2.22 103.07 102.60 2g2k h GLY 91 Ca 0.15 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2g2k h GLY 91 CO 0.00 0.44 0.23 0.74 0.00 0.00 0.00 176.54 177.96 2g2k h PHE 92 N 0.93 1.13 -0.69 5.60 0.04 -1.33 -2.72 116.94 119.89 2g2k h PHE 92 Ca 0.23 -0.11 0.08 0.00 2.80 0.00 0.00 57.97 60.98 2g2k h PHE 92 Cb 0.08 -0.33 -0.07 0.00 2.20 0.00 0.00 35.95 37.83 2g2k h PHE 92 CO 0.01 0.89 0.35 0.82 -0.60 0.00 0.00 178.31 179.78 2g2k h ILE 93 N 1.03 0.87 -0.18 -0.55 2.04 -1.24 0.36 117.51 119.85 2g2k h ILE 93 Ca 0.23 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2g2k h ILE 93 Cb 0.29 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2g2k h ILE 93 CO -0.01 0.11 0.15 0.11 0.00 0.00 0.00 178.15 178.52 2g2k h LYS 94 N 0.61 0.00 -0.65 2.37 6.56 -1.32 2.16 116.57 126.30 2g2k h LYS 94 Ca 0.33 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.91 2g2k h LYS 94 Cb 0.32 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 2g2k h LYS 94 CO -0.25 0.00 0.35 -0.22 -2.06 0.00 0.00 179.45 177.27 2g2k h LYS 95 N 0.00 0.91 0.00 3.15 3.64 -0.88 -1.97 116.57 121.41 2g2k h LYS 95 Ca 0.09 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2g2k h LYS 95 Cb 0.39 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2g2k h LYS 95 CO -0.00 0.69 -1.21 1.97 -2.27 0.00 0.00 179.45 178.63 2g2k n PHE 96 N -4.53 0.00 -0.07 1.91 -1.74 -0.82 -4.42 117.46 107.80 2g2k n PHE 96 Ca 0.05 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.86 2g2k n PHE 96 Cb 0.10 -0.14 -0.06 0.00 1.52 0.00 0.00 39.48 40.90 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 0.68 -2.10 1.97 2.07 0.34 -3.40 116.25 115.82 2g2k h VAL 97 Ca -0.05 -1.57 -0.67 0.00 0.82 0.00 0.00 66.70 65.23 2g2k h VAL 97 Cb 0.74 1.35 -0.36 0.00 -1.52 0.00 0.00 31.29 31.50 2g2k h VAL 97 CO 0.00 0.23 -0.01 0.18 0.02 0.00 0.00 177.57 177.99 2g2k n LEU 98 N -4.66 5.65 -4.82 2.57 7.99 -1.09 -4.66 117.00 117.98 2g2k n LEU 98 Ca -0.08 -5.43 -0.33 0.00 -0.01 0.00 0.00 56.01 50.16 2g2k n LEU 98 Cb 0.27 -0.76 -0.05 0.00 -0.11 0.00 0.00 43.42 42.77 2g2k n LEU 98 CO 0.15 2.19 0.68 0.00 -1.51 0.00 0.00 177.39 178.89 2g2k n PRO 100 N -1.06 0.62 0.05 0.00 -0.04 -1.26 -2.22 135.00 131.08 2g2k n PRO 100 Ca 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 2g2k n PRO 100 Cb 0.54 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2g2k n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2g2k h GLU 101 N 0.00 -0.19 0.00 0.54 4.81 -1.97 -3.45 114.58 114.32 2g2k h GLU 101 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2g2k h GLU 101 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2g2k h GLU 101 CO 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.16 2g2k n GLU 103 N 0.00 0.26 -0.19 0.00 4.71 -0.94 -4.08 120.64 120.40 2g2k n GLU 103 Ca 0.00 0.24 -0.02 0.00 -0.01 0.00 0.00 57.16 57.38 2g2k n GLU 103 Cb 0.37 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 2g2k n GLU 103 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2g2k n ASN 104 N -2.28 -0.35 -4.77 1.62 4.13 -1.20 -4.18 115.26 108.23 2g2k n ASN 104 Ca 0.05 0.83 -0.35 0.00 1.68 0.00 0.00 54.58 56.79 2g2k n ASN 104 Cb 0.41 -0.17 0.01 0.00 -1.54 0.00 0.00 39.78 38.49 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2g2k s PRO 105 N -5.39 3.23 -0.17 3.52 0.04 -1.26 -4.93 135.00 130.04 2g2k s PRO 105 Ca -0.06 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 2g2k s PRO 105 Cb 0.09 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2g2k s PRO 105 CO 0.33 -0.96 1.64 -2.00 0.04 0.00 0.00 177.00 176.05 2g2k s GLU 106 N -3.37 3.90 0.36 4.56 2.56 -1.26 -4.85 118.70 120.60 2g2k s GLU 106 Ca 0.73 1.84 0.08 0.00 0.00 0.00 0.00 54.97 57.62 2g2k s GLU 106 Cb -0.25 -4.03 -0.04 0.00 2.00 0.00 0.00 34.13 31.82 2g2k s GLU 106 CO 0.29 -1.17 0.21 0.95 -0.56 0.00 0.00 175.26 174.98 2g2k s THR 107 N 4.92 2.99 0.18 -1.70 -4.23 -1.26 -4.71 115.64 111.82 2g2k s THR 107 Ca 0.73 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 2g2k s THR 107 Cb -0.28 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 2g2k s THR 107 CO 0.29 -0.13 -0.07 -1.81 -0.54 0.00 0.00 174.62 172.35 2g2k s ASP 108 N -3.92 4.37 -0.10 3.99 1.01 -1.26 -5.04 116.67 115.72 2g2k s ASP 108 Ca 0.40 -0.54 -0.03 0.00 0.71 0.00 0.00 52.55 53.09 2g2k s ASP 108 Cb -0.02 -0.79 -0.03 0.00 1.01 0.00 0.00 42.92 43.09 2g2k s ASP 108 CO 0.24 0.10 0.02 -0.76 0.21 0.00 0.00 175.17 174.98 2g2k s LEU 109 N -2.84 3.67 -0.19 1.23 1.02 -1.26 -4.00 118.68 116.30 2g2k s LEU 109 Ca 0.25 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.57 2g2k s LEU 109 Cb -0.09 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.30 2g2k s LEU 109 CO 0.16 0.34 -0.11 -1.00 0.02 0.00 0.00 176.35 175.76 2g2k s HIS 110 N -0.67 2.42 -0.22 0.29 3.76 -0.38 -4.98 115.29 115.50 2g2k s HIS 110 Ca 0.11 -1.57 -0.13 0.00 -0.15 0.00 0.00 55.06 53.32 2g2k s HIS 110 Cb -0.12 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 2g2k s HIS 110 CO 0.02 -0.74 0.28 0.54 -0.85 0.00 0.00 174.74 173.99 2g2k s VAL 111 N 1.40 5.28 -0.21 -0.90 0.11 -1.26 -2.11 120.40 122.70 2g2k s VAL 111 Ca -0.01 0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 59.29 2g2k s VAL 111 Cb -0.16 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2g2k s VAL 111 CO -0.09 0.29 0.60 0.20 -3.33 0.00 0.00 175.10 172.77 2g2k s ASN 112 N 1.09 6.62 0.25 3.54 0.01 -0.91 -4.93 114.94 120.61 2g2k s ASN 112 Ca 0.13 0.75 0.10 0.00 -0.71 0.00 0.00 52.86 53.13 2g2k s ASN 112 Cb -0.14 -2.33 0.28 0.00 0.41 0.00 0.00 41.25 39.47 2g2k s ASN 112 CO 0.06 -0.27 1.57 1.55 -1.51 0.00 0.00 177.10 178.50 2g2k h PRO 113 N 7.60 0.00 -0.45 -0.60 0.13 -1.96 0.60 132.00 137.32 2g2k h PRO 113 Ca -0.31 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2g2k h PRO 113 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2g2k h PRO 113 CO 0.76 0.67 -0.05 -0.22 -0.23 0.00 0.00 178.00 178.93 2g2k h LYS 114 N 0.00 0.84 -0.02 0.86 3.64 -1.98 -3.15 116.57 116.76 2g2k h LYS 114 Ca -0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2g2k h LYS 114 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2g2k h LYS 114 CO 0.09 0.92 -0.34 1.63 -2.27 0.00 0.00 179.45 179.48 2g2k n LYS 115 N -4.32 1.52 -3.67 1.90 4.76 -1.21 -4.97 118.16 112.17 2g2k n LYS 115 Ca -0.00 -1.05 -0.28 0.00 -2.87 0.00 0.00 58.31 54.11 2g2k n LYS 115 Cb 0.34 -1.38 0.02 0.00 -1.84 0.00 0.00 35.03 32.17 2g2k n LYS 115 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2g2k n GLN 116 N 0.14 -4.69 -4.61 1.97 6.02 0.21 -4.95 117.38 111.46 2g2k n GLN 116 Ca 0.09 0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 57.34 2g2k n GLN 116 Cb 0.42 -5.41 -0.06 0.00 1.02 0.00 0.00 30.24 26.21 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 -3.17 1.14 -0.02 5.09 2.01 -1.06 -4.95 115.64 114.67 2g2k s THR 117 Ca 0.55 -1.90 0.05 0.00 0.31 0.00 0.00 61.69 60.70 2g2k s THR 117 Cb -0.28 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 2g2k s THR 117 CO 0.68 0.00 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.83 2g2k s ILE 118 N -2.88 1.22 -0.13 1.82 -1.09 -1.25 -2.14 121.20 116.74 2g2k s ILE 118 Ca 0.07 -0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 57.79 2g2k s ILE 118 Cb -0.00 -1.03 0.06 0.00 -1.58 0.00 0.00 42.46 39.91 2g2k s ILE 118 CO 0.05 0.35 0.28 -0.83 -1.23 0.00 0.00 174.94 173.56 2g2k s GLY 119 N -0.26 -0.16 -0.10 6.18 0.00 -0.90 0.27 107.32 112.35 2g2k s GLY 119 Ca 0.04 1.06 -0.04 0.00 0.00 0.00 0.00 44.72 45.78 2g2k s GLY 119 CO -0.00 1.77 0.20 0.54 0.00 0.00 0.00 173.10 175.61 2g2k s ASN 120 N 2.00 0.54 0.22 1.64 4.22 0.22 -1.25 114.94 122.53 2g2k s ASN 120 Ca -0.03 0.43 0.10 0.00 -2.14 0.00 0.00 52.86 51.22 2g2k s ASN 120 Cb -0.11 0.42 -0.04 0.00 1.28 0.00 0.00 41.25 42.79 2g2k s ASN 120 CO -0.09 -0.24 -0.14 -0.44 -2.04 0.00 0.00 177.10 174.15 2g2k s SER 121 N 2.24 3.94 0.01 3.54 0.01 -1.26 0.25 113.70 122.43 2g2k s SER 121 Ca 0.01 -0.76 -0.22 0.00 1.31 0.00 0.00 55.95 56.29 2g2k s SER 121 Cb -0.12 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 2g2k s SER 121 CO -0.07 0.08 0.65 0.00 0.41 0.00 0.00 173.24 174.31 2g2k n LYS 123 N 2.79 -0.01 0.18 0.00 4.81 -1.26 0.33 118.16 125.00 2g2k n LYS 123 Ca -0.05 0.44 0.12 0.00 -0.87 0.00 0.00 58.31 57.95 2g2k n LYS 123 Cb 0.51 -0.91 0.63 0.00 0.02 0.00 0.00 35.03 35.28 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2g2k h ALA 124 N 0.50 1.00 0.00 3.14 0.00 -1.90 -3.45 119.26 118.55 2g2k h ALA 124 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2g2k h ALA 124 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2g2k h ALA 124 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2g2k n GLY 126 N 0.00 -0.10 2.70 0.00 0.00 -1.26 -3.19 105.19 103.34 2g2k n GLY 126 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2g2k n GLY 126 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2g2k s TYR 127 N -1.94 -0.25 -0.18 1.61 6.14 -1.26 -5.00 117.35 116.47 2g2k s TYR 127 Ca 0.00 -0.39 -0.23 0.00 0.64 0.00 0.00 57.07 57.08 2g2k s TYR 127 Cb 0.00 -0.57 -0.02 0.00 0.42 0.00 0.00 41.96 41.79 2g2k s TYR 127 CO 0.00 -0.90 0.73 1.03 0.64 0.00 0.00 175.55 177.05 2g2k s ARG 128 N 2.24 4.27 -0.34 4.97 1.81 -1.19 -2.75 118.95 127.95 2g2k s ARG 128 Ca 0.10 0.83 -0.06 0.00 -1.72 0.00 0.00 55.73 54.87 2g2k s ARG 128 Cb -0.15 -3.57 -0.20 0.00 -0.45 0.00 0.00 34.95 30.59 2g2k s ARG 128 CO -0.32 -0.27 3.40 0.41 -0.68 0.00 0.00 175.30 177.84 2g2k n GLY 129 N 3.59 3.40 3.66 -3.53 0.00 0.70 -4.83 105.19 108.19 2g2k n GLY 129 Ca 0.02 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 0.84 4.27 -0.02 1.61 0.00 -1.26 -0.61 119.30 124.13 2g2k s MET 130 Ca 0.66 1.15 0.04 0.00 0.00 0.00 0.00 55.69 57.54 2g2k s MET 130 Cb 0.30 -3.61 -0.03 0.00 0.00 0.00 0.00 34.83 31.49 2g2k s MET 130 CO -0.04 -0.47 -0.13 -0.51 0.00 0.00 0.00 175.02 173.87 2g2k s LEU 131 N 2.64 2.83 0.00 4.11 1.43 0.14 -4.97 118.68 124.87 2g2k s LEU 131 Ca 0.40 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2g2k s LEU 131 Cb -0.16 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2g2k s LEU 131 CO 0.10 0.31 0.00 -0.67 0.23 0.00 0.00 176.35 176.32 2g2k n ASP 132 N 1.95 4.37 -3.27 2.29 2.03 -1.26 -3.91 116.55 118.75 2g2k n ASP 132 Ca -0.17 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.88 2g2k n ASP 132 Cb 0.52 0.68 0.25 0.00 -0.72 0.00 0.00 41.12 41.86 2g2k n ASP 132 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2g2k n THR 133 N -1.53 0.00 -3.05 5.18 -2.24 -1.26 -5.01 114.28 106.38 2g2k n THR 133 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2g2k n THR 133 Cb 0.19 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 2g2k n THR 133 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2g2k n HIS 134 N -5.43 -1.33 0.00 4.78 8.25 -1.26 -4.91 115.22 115.32 2g2k n HIS 134 Ca 0.12 -2.98 0.00 0.00 -0.26 0.00 0.00 57.72 54.60 2g2k n HIS 134 Cb 0.51 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.89 2g2k n HIS 134 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2g2k n HIS 135 N 1.48 0.00 -4.24 4.41 1.44 -1.26 -5.04 115.22 112.01 2g2k n HIS 135 Ca 0.17 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.72 2g2k n HIS 135 Cb 0.56 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 2g2k n HIS 135 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2g2k n LYS 136 N 0.00 0.36 -0.26 -1.40 0.00 -1.26 -4.98 118.16 110.61 2g2k n LYS 136 Ca 0.00 -2.60 0.32 0.00 0.00 0.00 0.00 58.31 56.03 2g2k n LYS 136 Cb 0.00 2.05 0.55 0.00 0.00 0.00 0.00 35.03 37.63 2g2k n LYS 136 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2g2k h LEU 137 N 0.00 0.00 -1.00 3.14 6.46 -1.98 0.62 115.31 122.54 2g2k h LEU 137 Ca -0.19 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2g2k h LEU 137 Cb 0.93 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.79 2g2k h LEU 137 CO 0.28 0.00 0.64 0.00 -0.62 0.00 0.00 178.44 178.74 2g2k h THR 139 N 1.11 1.28 -0.32 0.00 2.02 -0.13 0.03 112.91 116.91 2g2k h THR 139 Ca 0.46 -1.38 0.04 0.00 0.77 0.00 0.00 66.41 66.30 2g2k h THR 139 Cb 0.28 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 2g2k h THR 139 CO -0.21 0.46 0.10 -0.26 0.37 0.00 0.00 175.52 175.98 2g2k h PHE 140 N 0.65 0.17 -0.37 3.16 0.04 -1.41 -1.68 116.94 117.49 2g2k h PHE 140 Ca 0.08 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 2g2k h PHE 140 Cb 0.80 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 2g2k h PHE 140 CO 0.06 0.06 -0.20 -0.84 -0.60 0.00 0.00 178.31 176.79 2g2k h ILE 141 N 0.23 1.28 -0.66 -0.55 3.07 -1.34 0.11 117.51 119.65 2g2k h ILE 141 Ca 0.15 -1.33 0.19 0.00 1.55 0.00 0.00 64.86 65.41 2g2k h ILE 141 Cb 0.13 1.36 -0.03 0.00 -0.27 0.00 0.00 36.82 38.01 2g2k h ILE 141 CO -0.17 0.44 0.47 0.25 -1.05 0.00 0.00 178.15 178.10 2g2k h LEU 142 N 0.57 0.00 -1.28 0.16 5.85 -0.42 -0.14 115.31 120.04 2g2k h LEU 142 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2g2k h LEU 142 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2g2k h LEU 142 CO 0.06 0.00 -0.08 2.29 -0.34 0.00 0.00 178.44 180.37 2g2k n LYS 143 N -4.33 1.17 -1.59 1.25 -0.00 -0.68 -5.02 118.16 108.96 2g2k n LYS 143 Ca 0.13 -1.09 -0.42 0.00 -0.00 0.00 0.00 58.31 56.93 2g2k n LYS 143 Cb 0.73 -1.22 0.01 0.00 -0.00 0.00 0.00 35.03 34.55 2g2k n LYS 143 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2g2k n ASN 144 N 0.44 0.98 -4.79 -5.58 2.04 0.36 -4.94 115.26 103.77 2g2k n ASN 144 Ca 0.07 1.02 -0.30 0.00 -0.44 0.00 0.00 54.58 54.93 2g2k n ASN 144 Cb 0.31 -1.32 0.09 0.00 -2.53 0.00 0.00 39.78 36.33 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 2g2k s PRO 145 N -1.95 2.14 0.89 -0.53 0.04 -1.26 -5.03 135.00 129.30 2g2k s PRO 145 Ca 0.63 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 2g2k s PRO 145 Cb -0.57 -1.91 0.22 0.00 0.04 0.00 0.00 34.50 32.27 2g2k s PRO 145 CO 0.57 -1.62 0.90 -0.35 0.04 0.00 0.00 177.00 176.54 2g2k n PRO 146 N -3.45 -2.16 -0.91 0.56 -0.04 -1.26 -4.95 135.00 122.79 2g2k n PRO 146 Ca 0.07 -1.43 -0.02 0.00 -0.04 0.00 0.00 63.50 62.08 2g2k n PRO 146 Cb 0.55 -1.20 0.31 0.00 -0.04 0.00 0.00 33.50 33.11 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 -3.81 3.82 -0.27 0.54 2.13 -1.26 -5.05 120.64 116.74 2g2k n GLU 147 Ca 0.12 -2.83 0.04 0.00 0.66 0.00 0.00 57.16 55.15 2g2k n GLU 147 Cb 0.45 -2.16 -0.01 0.00 0.27 0.00 0.00 31.44 29.99 2g2k n GLU 147 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2g2k n ASN 148 N 0.09 -4.97 -1.46 4.31 3.02 -1.26 -4.97 115.26 110.02 2g2k n ASN 148 Ca 0.34 0.29 0.18 0.00 -0.03 0.00 0.00 54.58 55.36 2g2k n ASN 148 Cb 1.26 -0.85 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 2g2k n ASN 148 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2g2k n SER 149 N -3.52 -8.09 -2.51 6.41 2.88 -1.26 -4.96 113.62 102.57 2g2k n SER 149 Ca 0.00 1.36 -0.02 0.00 -1.33 0.00 0.00 58.87 58.88 2g2k n SER 149 Cb 0.12 -4.95 -0.02 0.00 -0.75 0.00 0.00 64.21 58.61 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 -4.37 -4.58 -1.41 -3.46 -0.08 -1.26 -4.83 116.55 96.55 2g2k n ASP 150 Ca -0.08 1.47 0.17 0.00 -1.51 0.00 0.00 54.79 54.84 2g2k n ASP 150 Cb 0.69 -4.43 -0.09 0.00 2.34 0.00 0.00 41.12 39.63 2g2k n ASP 150 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2g2k n SER 151 N 1.91 -7.85 0.00 1.67 7.64 -1.26 -4.95 113.62 110.78 2g2k n SER 151 Ca -0.18 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2g2k n SER 151 Cb 0.27 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 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 -4.29 1.34 3.57 0.23 0.00 -1.26 -5.02 105.19 99.76 2g2k n GLY 152 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 3.86 -0.01 2.61 -4.23 -1.26 -4.86 115.64 109.75 2g2k s THR 153 Ca 0.00 -1.28 -0.28 0.00 -1.18 0.00 0.00 61.69 58.95 2g2k s THR 153 Cb 0.00 -4.88 0.09 0.00 1.34 0.00 0.00 72.50 69.04 2g2k s THR 153 CO 0.00 -1.63 0.76 -0.83 -0.54 0.00 0.00 174.62 172.39 2g2k s GLY 154 N 5.36 -0.51 0.04 3.99 0.00 -1.26 -5.09 107.32 109.86 2g2k s GLY 154 Ca 0.58 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.47 2g2k s GLY 154 CO 0.05 0.63 0.00 0.28 0.00 0.00 0.00 173.10 174.06 2g2k n LYS 155 N 0.30 0.00 0.00 2.90 4.76 -1.26 -5.29 118.16 119.57 2g2k n LYS 155 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2g2k n LYS 155 Cb 0.60 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20