#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 6.36 0.00 1.96 0.01 -1.26 -5.01 113.70 115.76 2g2k s SER 2 Ca 0.00 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2g2k s SER 2 Cb 0.00 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2g2k s SER 2 CO 0.00 -0.02 0.00 0.55 0.41 0.00 0.00 173.24 174.18 2g2k n VAL 3 N -0.74 0.00 -2.38 3.43 3.14 -1.26 -5.00 118.33 115.53 2g2k n VAL 3 Ca -0.06 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 2g2k n VAL 3 Cb 0.54 -0.18 -0.03 0.00 -1.06 0.00 0.00 33.84 33.12 2g2k n VAL 3 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2g2k s ASN 4 N -2.96 6.16 0.63 6.55 0.01 -1.26 -4.84 114.94 119.23 2g2k s ASN 4 Ca 0.00 0.41 0.36 0.00 -0.71 0.00 0.00 52.86 52.92 2g2k s ASN 4 Cb 0.00 -2.54 2.03 0.00 0.41 0.00 0.00 41.25 41.14 2g2k s ASN 4 CO 0.00 -1.66 2.24 -0.37 -1.51 0.00 0.00 177.10 175.80 2g2k h VAL 5 N 6.41 0.24 -2.33 1.60 -1.51 -2.06 -3.34 116.25 115.26 2g2k h VAL 5 Ca -0.27 0.00 -0.68 0.00 -1.23 0.00 0.00 66.70 64.52 2g2k h VAL 5 Cb 1.10 0.93 -0.17 0.00 -2.13 0.00 0.00 31.29 31.02 2g2k h VAL 5 CO 1.16 0.00 0.85 0.20 -1.23 0.00 0.00 177.57 178.55 2g2k s ASN 6 N -5.46 6.57 0.56 4.19 -0.87 -1.26 -4.83 114.94 113.84 2g2k s ASN 6 Ca -0.05 -1.89 0.34 0.00 -1.57 0.00 0.00 52.86 49.70 2g2k s ASN 6 Cb 0.13 -2.41 1.46 0.00 -0.02 0.00 0.00 41.25 40.41 2g2k s ASN 6 CO 0.46 -1.14 2.02 0.03 -2.57 0.00 0.00 177.10 175.90 2g2k h ARG 7 N 8.99 0.00 -0.40 -0.60 3.08 -2.02 -2.13 114.38 121.30 2g2k h ARG 7 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2g2k h ARG 7 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2g2k h ARG 7 CO 1.14 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 178.92 2g2k n SER 8 N -3.12 2.51 -4.50 7.04 3.41 -1.26 -4.96 113.62 112.73 2g2k n SER 8 Ca 0.00 -1.93 -0.52 0.00 -0.26 0.00 0.00 58.87 56.16 2g2k n SER 8 Cb 0.29 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 2g2k n SER 8 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2g2k n VAL 9 N 0.87 0.87 -3.59 -3.33 3.14 -0.80 -4.96 118.33 110.52 2g2k n VAL 9 Ca 0.17 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2g2k n VAL 9 Cb 0.42 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 2g2k n VAL 9 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2g2k n MET 10 N 1.46 1.64 -2.94 1.45 2.81 -1.26 -5.07 117.12 115.21 2g2k n MET 10 Ca 0.18 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 2g2k n MET 10 Cb 0.19 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.65 2g2k n MET 10 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2g2k s ASP 11 N -0.98 6.57 0.54 7.83 -4.77 -1.26 -4.90 116.67 119.70 2g2k s ASP 11 Ca 0.00 0.38 0.33 0.00 -3.30 0.00 0.00 52.55 49.96 2g2k s ASP 11 Cb 0.00 -2.41 1.32 0.00 -1.09 0.00 0.00 42.92 40.75 2g2k s ASP 11 CO 0.00 -0.75 1.97 1.56 0.70 0.00 0.00 175.17 178.65 2g2k h GLN 12 N 8.49 0.00 -6.95 2.11 1.08 -1.99 -3.46 115.11 114.38 2g2k h GLN 12 Ca -0.24 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.37 2g2k h GLN 12 Cb 1.09 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.24 2g2k h GLN 12 CO 0.92 0.01 -0.88 0.34 -0.95 0.00 0.00 178.83 178.28 2g2k n PHE 13 N -3.11 -1.46 -1.02 2.96 7.35 -1.26 -4.72 117.46 116.19 2g2k n PHE 13 Ca 0.01 0.74 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 2g2k n PHE 13 Cb 0.32 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.64 2g2k n PHE 13 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 2g2k n TYR 14 N -4.26 0.00 0.00 -5.13 4.11 -1.26 -4.93 117.16 105.69 2g2k n TYR 14 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 2g2k n TYR 14 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 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 0.00 0.00 -3.87 -3.48 0.63 -1.26 -5.07 116.66 103.61 2g2k n ARG 15 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 2g2k n ARG 15 Cb 0.39 -0.17 -0.06 0.00 0.45 0.00 0.00 32.46 33.06 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 -1.99 3.58 0.21 -0.14 1.13 -1.26 -5.10 117.35 113.78 2g2k s TYR 16 Ca 0.00 0.51 0.08 0.00 -1.41 0.00 0.00 57.07 56.26 2g2k s TYR 16 Cb 0.00 -1.96 -0.05 0.00 -1.10 0.00 0.00 41.96 38.86 2g2k s TYR 16 CO 0.00 0.70 -0.16 0.15 -2.51 0.00 0.00 175.55 173.74 2g2k s LYS 17 N -0.92 1.37 -0.32 -3.49 1.02 -1.26 -4.81 119.74 111.32 2g2k s LYS 17 Ca 0.14 -1.58 -0.11 0.00 0.02 0.00 0.00 55.97 54.44 2g2k s LYS 17 Cb -0.12 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.93 2g2k s LYS 17 CO 0.04 0.22 0.18 0.00 -0.92 0.00 0.00 175.35 174.87 2g2k s MET 18 N -3.48 3.38 0.00 1.68 0.23 -1.26 -5.08 119.30 114.78 2g2k s MET 18 Ca 0.22 -0.70 0.00 0.00 -1.03 0.00 0.00 55.69 54.18 2g2k s MET 18 Cb -0.02 -3.65 0.00 0.00 -1.53 0.00 0.00 34.83 29.62 2g2k s MET 18 CO 0.08 -0.43 0.00 -0.35 -2.03 0.00 0.00 175.02 172.29 2g2k n PRO 19 N 5.03 1.71 -0.32 3.16 -0.04 -1.26 -5.08 135.00 138.19 2g2k n PRO 19 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2g2k n PRO 19 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2g2k n PRO 19 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2g2k n ARG 20 N 0.00 1.30 -1.99 0.54 5.12 -1.26 -5.01 116.66 115.37 2g2k n ARG 20 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 2g2k n ARG 20 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2g2k s LEU 21 N 0.00 4.38 0.01 0.55 0.20 -1.26 -5.00 118.68 117.56 2g2k s LEU 21 Ca 0.00 2.66 0.04 0.00 0.69 0.00 0.00 54.13 57.52 2g2k s LEU 21 Cb 0.00 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.11 2g2k s LEU 21 CO 0.00 -0.73 -0.10 -0.63 -0.29 0.00 0.00 176.35 174.60 2g2k s ILE 22 N 0.26 3.40 -0.12 6.68 1.01 -1.26 -4.50 121.20 126.67 2g2k s ILE 22 Ca 0.62 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2g2k s ILE 22 Cb -0.42 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2g2k s ILE 22 CO 0.41 0.40 -0.15 0.00 0.00 0.00 0.00 174.94 175.60 2g2k s ALA 23 N -0.95 1.70 -0.04 9.38 0.00 -1.26 -4.29 121.76 126.30 2g2k s ALA 23 Ca 0.16 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.43 2g2k s ALA 23 Cb -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2g2k s ALA 23 CO 0.06 -0.16 -0.24 0.15 0.00 0.00 0.00 175.76 175.57 2g2k s LYS 24 N 1.13 2.33 -0.23 0.00 3.01 -0.77 -4.80 119.74 120.40 2g2k s LYS 24 Ca -0.03 -0.89 -0.17 0.00 -1.01 0.00 0.00 55.97 53.86 2g2k s LYS 24 Cb -0.14 -2.13 -0.03 0.00 -1.01 0.00 0.00 37.83 34.51 2g2k s LYS 24 CO -0.04 0.50 0.47 0.08 0.51 0.00 0.00 175.35 176.87 2g2k s VAL 25 N -0.45 5.12 0.03 3.17 1.01 -1.26 0.13 120.40 128.16 2g2k s VAL 25 Ca 0.05 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 2g2k s VAL 25 Cb -0.11 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2g2k s VAL 25 CO 0.01 0.16 0.01 -0.70 0.00 0.00 0.00 175.10 174.58 2g2k s GLU 26 N 1.87 0.46 0.00 2.72 2.56 -1.05 -4.93 118.70 120.32 2g2k s GLU 26 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.39 2g2k s GLU 26 Cb -0.15 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.15 2g2k s GLU 26 CO 0.09 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 2g2k n GLY 27 N 1.02 1.49 3.31 -1.50 0.00 -1.26 -3.82 105.19 104.44 2g2k n GLY 27 Ca -0.20 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 0.86 0.00 1.61 2.20 -1.26 -5.01 119.74 118.14 2g2k s LYS 28 Ca 0.00 -0.28 0.30 0.00 -0.36 0.00 0.00 55.97 55.63 2g2k s LYS 28 Cb 0.00 0.39 1.51 0.00 -1.51 0.00 0.00 37.83 38.22 2g2k s LYS 28 CO 0.00 -0.28 2.04 0.41 -0.36 0.00 0.00 175.35 177.16 2g2k n GLY 29 N 0.72 -1.26 0.01 5.54 0.00 -1.26 -3.09 105.19 105.84 2g2k n GLY 29 Ca -0.19 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2g2k n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g2k n ASN 30 N -1.28 0.40 0.00 1.61 4.13 -1.26 -4.92 115.26 113.94 2g2k n ASN 30 Ca 0.14 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.01 2g2k n ASN 30 Cb 0.23 1.60 0.00 0.00 -1.54 0.00 0.00 39.78 40.08 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2g2k n GLY 31 N 1.36 0.90 0.00 7.41 0.00 -1.18 -5.15 105.19 108.52 2g2k n GLY 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.27 -0.61 2.08 -1.26 -4.98 119.36 110.32 2g2k n ILE 32 Ca 0.00 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.10 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 -0.75 0.56 0.00 0.00 176.55 176.36 2g2k s LYS 33 N -0.15 1.10 -0.28 0.38 2.47 -1.25 -0.88 119.74 121.13 2g2k s LYS 33 Ca 0.00 -1.22 -0.07 0.00 -1.56 0.00 0.00 55.97 53.12 2g2k s LYS 33 Cb 0.00 -1.18 -0.00 0.00 -1.46 0.00 0.00 37.83 35.19 2g2k s LYS 33 CO 0.00 0.25 0.07 0.99 0.16 0.00 0.00 175.35 176.82 2g2k s THR 34 N -1.67 4.01 -0.29 3.43 2.01 0.76 -2.54 115.64 121.34 2g2k s THR 34 Ca 0.09 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 2g2k s THR 34 Cb -0.07 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2g2k s THR 34 CO 0.04 0.15 0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 2g2k s VAL 35 N 1.52 4.64 -0.45 3.82 1.01 0.35 0.16 120.40 131.46 2g2k s VAL 35 Ca 0.04 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 2g2k s VAL 35 Cb -0.17 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.96 2g2k s VAL 35 CO 0.02 0.17 0.50 -0.63 0.00 0.00 0.00 175.10 175.16 2g2k s ILE 36 N 1.64 5.03 -0.13 2.22 -1.09 -1.09 -1.85 121.20 125.92 2g2k s ILE 36 Ca 0.05 -0.41 0.20 0.00 -2.23 0.00 0.00 60.65 58.26 2g2k s ILE 36 Cb -0.16 -4.13 -0.18 0.00 -1.58 0.00 0.00 42.46 36.41 2g2k s ILE 36 CO 0.06 -0.55 0.66 0.55 -1.23 0.00 0.00 174.94 174.44 2g2k n VAL 37 N 5.49 0.76 0.24 2.92 3.14 -1.26 -4.03 118.33 125.59 2g2k n VAL 37 Ca -0.07 -0.63 0.10 0.00 -2.96 0.00 0.00 64.34 60.78 2g2k n VAL 37 Cb 0.47 -0.40 0.26 0.00 -1.06 0.00 0.00 33.84 33.11 2g2k n VAL 37 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2g2k n ASN 38 N -2.64 3.09 -0.12 6.55 5.15 -1.26 -4.35 115.26 121.68 2g2k n ASN 38 Ca -0.10 -1.98 -0.10 0.00 -0.60 0.00 0.00 54.58 51.81 2g2k n ASN 38 Cb 0.75 -0.35 -0.02 0.00 -0.53 0.00 0.00 39.78 39.63 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 3.51 0.55 -0.51 1.20 4.05 -1.89 0.62 114.93 122.47 2g2k h MET 39 Ca 0.00 -0.12 -0.11 0.00 -0.28 0.00 0.00 59.70 59.19 2g2k h MET 39 Cb 0.80 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 2g2k h MET 39 CO 0.00 0.58 -0.10 0.28 0.23 0.00 0.00 176.91 177.89 2g2k h VAL 40 N 0.42 1.27 -0.20 -5.77 2.07 -1.86 -0.25 116.25 111.93 2g2k h VAL 40 Ca 0.11 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2g2k h VAL 40 Cb 0.26 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2g2k h VAL 40 CO -0.00 0.44 -0.15 0.44 0.02 0.00 0.00 177.57 178.31 2g2k h ASP 41 N 0.84 0.48 -0.06 0.57 5.19 -1.78 0.10 116.42 121.76 2g2k h ASP 41 Ca 0.13 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 56.08 2g2k h ASP 41 Cb 0.66 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 2g2k h ASP 41 CO 0.05 0.83 -0.03 0.58 -3.12 0.00 0.00 179.24 177.55 2g2k h VAL 42 N 0.14 1.32 -0.32 -1.35 2.07 -0.86 -1.88 116.25 115.38 2g2k h VAL 42 Ca 0.04 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 2g2k h VAL 42 Cb 0.68 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2g2k h VAL 42 CO 0.04 0.28 -0.08 0.00 0.02 0.00 0.00 177.57 177.83 2g2k h ALA 43 N 0.62 0.45 -0.67 1.67 0.00 -1.10 -2.87 119.26 117.35 2g2k h ALA 43 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2g2k h ALA 43 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2g2k h ALA 43 CO 0.01 0.29 0.44 -0.22 0.00 0.00 0.00 179.25 179.77 2g2k h LYS 44 N 0.41 0.84 0.00 0.00 3.64 -0.82 1.79 116.57 122.43 2g2k h LYS 44 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2g2k h LYS 44 Cb 0.58 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2g2k h LYS 44 CO 0.03 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.77 2g2k h ALA 45 N 1.59 1.00 0.00 5.00 0.00 -1.15 -3.10 119.26 122.61 2g2k h ALA 45 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2g2k h ALA 45 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g2k h ALA 45 CO -0.06 0.00 -0.25 -0.11 0.00 0.00 0.00 179.25 178.83 2g2k n LEU 46 N -2.53 0.12 0.00 0.00 -0.00 -0.07 -5.07 117.00 109.44 2g2k n LEU 46 Ca 0.02 -0.44 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 2g2k n LEU 46 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2g2k n LEU 46 CO 0.23 0.03 0.00 -3.20 -0.00 0.00 0.00 177.39 174.45 2g2k n ASN 47 N -1.13 0.00 -4.09 1.96 2.85 0.59 -5.07 115.26 110.37 2g2k n ASN 47 Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 2g2k n ASN 47 Cb 0.05 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.97 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 0.00 1.40 0.28 1.20 0.52 -0.93 -4.27 118.95 117.16 2g2k s ARG 48 Ca 0.00 -1.77 -0.29 0.00 -0.52 0.00 0.00 55.73 53.15 2g2k s ARG 48 Cb 0.00 0.06 -0.10 0.00 0.52 0.00 0.00 34.95 35.44 2g2k s ARG 48 CO 0.00 -0.41 1.15 -1.25 0.02 0.00 0.00 175.30 174.81 2g2k s PRO 49 N -3.97 4.57 -1.04 3.54 0.04 -1.26 -4.07 135.00 132.81 2g2k s PRO 49 Ca 0.38 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 2g2k s PRO 49 Cb 0.06 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 2g2k s PRO 49 CO 0.15 0.11 2.25 -0.35 0.04 0.00 0.00 177.00 179.20 2g2k n PRO 50 N 1.24 2.35 0.01 0.56 -0.04 -1.26 -4.60 135.00 133.26 2g2k n PRO 50 Ca -0.00 -1.60 -0.13 0.00 -0.04 0.00 0.00 63.50 61.73 2g2k n PRO 50 Cb 0.44 -2.53 -0.09 0.00 -0.04 0.00 0.00 33.50 31.28 2g2k n PRO 50 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2g2k h THR 51 N 3.40 1.28 0.00 0.52 2.02 -1.99 -3.19 112.91 114.94 2g2k h THR 51 Ca 0.56 -0.99 -0.24 0.00 0.77 0.00 0.00 66.41 66.50 2g2k h THR 51 Cb 0.20 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 2g2k h THR 51 CO 1.52 0.25 -1.43 0.10 0.37 0.00 0.00 175.52 176.33 2g2k h TYR 52 N -0.48 0.00 0.00 3.16 -0.00 -2.02 -3.31 116.97 114.32 2g2k h TYR 52 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2g2k h TYR 52 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.17 2g2k h TYR 52 CO 0.07 0.90 0.00 -0.35 -0.00 0.00 0.00 178.16 178.78 2g2k n PRO 53 N -3.10 0.44 0.02 0.10 -0.04 -1.25 -2.65 135.00 128.53 2g2k n PRO 53 Ca -0.11 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 2g2k n PRO 53 Cb 0.97 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 33.43 2g2k n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2g2k n THR 54 N -1.11 0.42 -0.03 0.52 -2.24 -1.20 -3.48 114.28 107.15 2g2k n THR 54 Ca 0.11 0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2g2k n THR 54 Cb 0.09 -0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 67.53 2g2k n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2g2k h LYS 55 N 0.00 0.38 -0.16 -0.78 1.57 -1.78 -2.61 116.57 113.19 2g2k h LYS 55 Ca 0.00 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2g2k h LYS 55 Cb 0.45 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2g2k h LYS 55 CO 0.00 0.92 0.04 1.88 -0.57 0.00 0.00 179.45 181.72 2g2k h TYR 56 N -0.08 0.27 -0.76 -1.35 -1.99 -1.81 -2.51 116.97 108.73 2g2k h TYR 56 Ca -0.02 -0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.73 2g2k h TYR 56 Cb 0.97 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.57 2g2k h TYR 56 CO 0.12 0.39 0.46 0.74 -0.00 0.00 0.00 178.16 179.88 2g2k h PHE 57 N 0.07 0.86 -0.57 4.88 -1.00 -1.65 -0.83 116.94 118.70 2g2k h PHE 57 Ca 0.05 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.87 2g2k h PHE 57 Cb 0.26 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 2g2k h PHE 57 CO 0.01 0.44 0.38 0.78 -1.61 0.00 0.00 178.31 178.31 2g2k h GLY 58 N 0.86 0.78 0.89 -1.45 0.00 -1.28 -1.38 103.07 101.50 2g2k h GLY 58 Ca 0.33 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.45 2g2k h GLY 58 CO -0.16 0.27 0.53 0.00 0.00 0.00 0.00 176.54 177.18 2g2k h GLU 60 N 0.84 0.13 -0.30 0.00 4.81 -1.18 -2.79 114.58 116.09 2g2k h GLU 60 Ca 0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2g2k h GLU 60 Cb 0.32 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2g2k h GLU 60 CO -0.13 0.42 0.00 1.47 -0.73 0.00 0.00 179.01 180.03 2g2k n LEU 61 N -4.84 0.43 0.00 1.64 -0.00 -0.93 -4.81 117.00 108.49 2g2k n LEU 61 Ca -0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 2g2k n LEU 61 Cb 0.20 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2g2k n LEU 61 CO 0.35 0.10 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2g2k n GLY 62 N 0.40 0.20 3.61 1.47 0.00 -0.62 -4.85 105.19 105.39 2g2k n GLY 62 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2g2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g2k s ALA 63 N -1.52 3.14 0.00 4.61 0.00 -0.08 -4.95 121.76 122.95 2g2k s ALA 63 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2g2k s ALA 63 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.75 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 -0.90 0.00 -4.04 0.00 6.02 -1.26 -3.04 117.38 114.15 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 0.62 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 2.96 0.00 -0.08 5.09 -4.23 -1.26 -3.43 115.64 114.69 2g2k s THR 65 Ca 0.00 -1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 2g2k s THR 65 Cb 0.00 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2g2k s THR 65 CO 0.00 0.00 0.22 -1.10 -0.54 0.00 0.00 174.62 173.20 2g2k s GLN 66 N -3.99 0.25 0.03 3.99 -0.21 0.47 -4.74 119.66 115.46 2g2k s GLN 66 Ca 0.26 0.31 0.06 0.00 0.02 0.00 0.00 55.36 56.01 2g2k s GLN 66 Cb 0.01 0.11 -0.02 0.00 1.00 0.00 0.00 33.01 34.10 2g2k s GLN 66 CO 0.10 -0.04 -0.18 -0.06 -2.12 0.00 0.00 175.29 172.99 2g2k s PHE 67 N 0.17 1.58 -0.18 0.91 0.08 -1.26 -1.03 117.98 118.26 2g2k s PHE 67 Ca -0.00 -0.36 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 41.51 2g2k s PHE 67 CO -0.00 0.06 -0.13 0.34 -0.10 0.00 0.00 175.22 175.39 2g2k s ASP 68 N -1.06 3.07 -0.16 1.36 -1.08 -0.52 -4.98 116.67 113.29 2g2k s ASP 68 Ca 0.05 -0.69 -0.17 0.00 -0.52 0.00 0.00 52.55 51.22 2g2k s ASP 68 Cb -0.08 -1.23 -0.23 0.00 -1.46 0.00 0.00 42.92 39.92 2g2k s ASP 68 CO 0.01 -0.09 0.34 -0.37 0.52 0.00 0.00 175.17 175.57 2g2k h VAL 69 N 6.21 0.89 0.00 1.11 -1.51 -1.95 0.93 116.25 121.93 2g2k h VAL 69 Ca -0.34 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.86 2g2k h VAL 69 Cb 1.12 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2g2k h VAL 69 CO 0.51 0.55 0.00 1.17 -1.23 0.00 0.00 177.57 178.57 2g2k n LYS 70 N -4.10 0.06 -0.01 5.19 3.00 -1.26 -2.79 118.16 118.25 2g2k n LYS 70 Ca -0.30 0.22 -0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2g2k n LYS 70 Cb 0.81 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.32 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 -1.44 4.29 -0.54 3.14 4.05 -1.24 -5.00 115.26 118.53 2g2k n ASN 71 Ca 0.04 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.00 2g2k n ASN 71 Cb 0.15 0.76 -0.03 0.00 1.23 0.00 0.00 39.78 41.89 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 -1.94 -4.37 -4.37 1.20 8.00 0.32 -4.98 116.55 110.40 2g2k n ASP 72 Ca -0.03 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 2g2k n ASP 72 Cb 0.43 -2.49 -0.14 0.00 -0.02 0.00 0.00 41.12 38.89 2g2k n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g2k s ARG 73 N -2.25 3.40 -0.14 -1.24 1.04 -1.10 -4.91 118.95 113.74 2g2k s ARG 73 Ca 0.00 -0.68 -0.01 0.00 -1.04 0.00 0.00 55.73 54.00 2g2k s ARG 73 Cb 0.00 -2.65 -0.02 0.00 -2.04 0.00 0.00 34.95 30.24 2g2k s ARG 73 CO 0.00 0.20 -0.11 0.71 -0.04 0.00 0.00 175.30 176.06 2g2k s TYR 74 N 0.38 2.86 0.09 5.89 2.02 -1.26 -1.44 117.35 125.89 2g2k s TYR 74 Ca -0.10 -0.62 0.08 0.00 -0.37 0.00 0.00 57.07 56.06 2g2k s TYR 74 Cb -0.16 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2g2k s TYR 74 CO 0.05 -0.21 -0.22 -1.50 -1.57 0.00 0.00 175.55 172.10 2g2k s ILE 75 N 0.44 1.79 -0.05 2.71 2.07 -0.20 -2.69 121.20 125.27 2g2k s ILE 75 Ca -0.09 -1.47 0.04 0.00 -1.41 0.00 0.00 60.65 57.72 2g2k s ILE 75 Cb -0.15 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.82 2g2k s ILE 75 CO 0.04 0.05 -0.15 0.68 -1.91 0.00 0.00 174.94 173.66 2g2k s VAL 76 N -1.03 3.03 0.52 4.00 -7.23 0.42 0.18 120.40 120.28 2g2k s VAL 76 Ca 0.08 -0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 59.30 2g2k s VAL 76 Cb -0.10 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.59 2g2k s VAL 76 CO 0.04 0.59 1.10 0.59 -0.31 0.00 0.00 175.10 177.11 2g2k n ASN 77 N 2.39 1.56 0.00 4.85 3.02 -1.22 0.65 115.26 126.51 2g2k n ASN 77 Ca -0.17 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 2g2k n ASN 77 Cb 0.52 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 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 1.08 -0.66 3.55 7.41 0.00 -0.06 -4.44 105.19 112.06 2g2k n GLY 78 Ca 0.11 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.77 5.51 -0.13 1.61 1.04 -1.23 0.27 113.70 119.00 2g2k s SER 79 Ca 0.00 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2g2k s SER 79 Cb 0.00 -1.98 0.06 0.00 0.10 0.00 0.00 66.02 64.20 2g2k s SER 79 CO 0.00 0.04 0.14 -1.00 0.98 0.00 0.00 173.24 173.40 2g2k s HIS 80 N 1.15 -0.05 0.63 5.02 3.76 -1.26 -4.94 115.29 119.60 2g2k s HIS 80 Ca 0.05 0.19 -0.14 0.00 -0.15 0.00 0.00 55.06 55.01 2g2k s HIS 80 Cb -0.14 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 2g2k s HIS 80 CO 0.04 -0.40 1.05 -2.00 -0.85 0.00 0.00 174.74 172.58 2g2k s GLU 81 N 2.23 3.21 0.24 1.40 2.12 -1.26 -4.69 118.70 121.96 2g2k s GLU 81 Ca 0.04 1.11 -0.04 0.00 0.36 0.00 0.00 54.97 56.44 2g2k s GLU 81 Cb -0.14 -2.02 0.46 0.00 0.26 0.00 0.00 34.13 32.69 2g2k s GLU 81 CO -0.08 -0.89 1.73 0.00 -0.54 0.00 0.00 175.26 175.49 2g2k h ALA 82 N 0.05 1.07 -0.22 6.30 0.00 -1.87 0.50 119.26 125.09 2g2k h ALA 82 Ca -0.46 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2g2k h ALA 82 Cb 1.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2g2k h ALA 82 CO 0.57 -0.19 -0.14 -0.97 0.00 0.00 0.00 179.25 178.52 2g2k h ASN 83 N 0.47 0.34 0.01 0.00 -0.00 -1.91 -2.60 115.58 111.89 2g2k h ASN 83 Ca 0.41 -0.08 -0.16 0.00 -0.00 0.00 0.00 56.30 56.47 2g2k h ASN 83 Cb 0.62 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.84 2g2k h ASN 83 CO -0.39 0.51 -0.56 0.11 -0.00 0.00 0.00 177.43 177.10 2g2k h LYS 84 N 0.33 0.57 -0.60 6.67 1.57 -0.53 -2.74 116.57 121.85 2g2k h LYS 84 Ca 0.06 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2g2k h LYS 84 Cb 0.45 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2g2k h LYS 84 CO 0.03 0.98 0.38 -0.07 -0.57 0.00 0.00 179.45 180.20 2g2k h LEU 85 N 0.44 0.64 -0.72 2.94 -0.00 -0.19 -1.12 115.31 117.30 2g2k h LEU 85 Ca 0.01 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2g2k h LEU 85 Cb 1.11 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 2g2k h LEU 85 CO 0.11 0.46 -0.33 1.56 -0.00 0.00 0.00 178.44 180.24 2g2k h GLN 86 N 0.77 0.61 -0.27 1.13 1.08 -1.53 -3.13 115.11 113.77 2g2k h GLN 86 Ca 0.23 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2g2k h GLN 86 Cb -0.04 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2g2k h GLN 86 CO -0.07 0.86 0.06 0.22 -0.95 0.00 0.00 178.83 178.94 2g2k h ASP 87 N 0.52 0.42 -0.23 1.46 1.82 -1.08 -2.52 116.42 116.80 2g2k h ASP 87 Ca 0.06 -0.24 0.02 0.00 -0.39 0.00 0.00 57.03 56.48 2g2k h ASP 87 Cb 0.82 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 2g2k h ASP 87 CO 0.07 0.56 0.07 0.00 -1.61 0.00 0.00 179.24 178.32 2g2k h MET 88 N 0.27 0.16 -0.48 0.28 -0.00 -1.21 -0.34 114.93 113.62 2g2k h MET 88 Ca 0.08 -0.01 0.07 0.00 -0.00 0.00 0.00 59.70 59.84 2g2k h MET 88 Cb 0.31 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 31.84 2g2k h MET 88 CO 0.00 0.11 0.32 1.25 -0.00 0.00 0.00 176.91 178.59 2g2k h LEU 89 N 0.17 0.32 -0.36 -0.10 5.85 -1.51 -1.25 115.31 118.42 2g2k h LEU 89 Ca 0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2g2k h LEU 89 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2g2k h LEU 89 CO -0.11 0.21 0.10 0.44 -0.34 0.00 0.00 178.44 178.74 2g2k h ASP 90 N 0.37 0.54 -0.48 1.25 5.19 -0.64 -2.56 116.42 120.09 2g2k h ASP 90 Ca 0.21 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2g2k h ASP 90 Cb 0.36 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2g2k h ASP 90 CO -0.05 0.62 0.25 1.23 -3.12 0.00 0.00 179.24 178.17 2g2k h GLY 91 N 0.43 0.73 0.58 2.75 0.00 -0.28 0.17 103.07 107.45 2g2k h GLY 91 Ca 0.12 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.13 2g2k h GLY 91 CO -0.00 0.33 -0.14 -2.75 0.00 0.00 0.00 176.54 173.98 2g2k h PHE 92 N 0.64 -0.35 0.04 5.60 3.57 -1.30 0.80 116.94 125.95 2g2k h PHE 92 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2g2k h PHE 92 Cb 0.08 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2g2k h PHE 92 CO -0.01 -0.20 -0.02 0.82 -2.23 0.00 0.00 178.31 176.66 2g2k h ILE 93 N -0.20 1.14 0.00 1.41 2.04 -1.26 -2.82 117.51 117.83 2g2k h ILE 93 Ca 0.07 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2g2k h ILE 93 Cb 0.29 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2g2k h ILE 93 CO -0.18 0.16 -0.05 0.50 0.00 0.00 0.00 178.15 178.57 2g2k h LYS 94 N -0.33 0.00 -0.70 2.37 3.64 -0.45 0.28 116.57 121.39 2g2k h LYS 94 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2g2k h LYS 94 Cb 0.30 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2g2k h LYS 94 CO 0.01 0.05 0.42 0.87 -2.27 0.00 0.00 179.45 178.53 2g2k h LYS 95 N 0.00 0.94 0.00 1.90 1.79 0.90 -2.70 116.57 119.41 2g2k h LYS 95 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2g2k h LYS 95 Cb 0.10 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2g2k h LYS 95 CO 0.01 0.66 -1.14 1.97 -1.08 0.00 0.00 179.45 179.87 2g2k n PHE 96 N -4.39 0.00 1.15 -1.35 1.16 -0.97 -4.54 117.46 108.52 2g2k n PHE 96 Ca 0.07 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.79 2g2k n PHE 96 Cb 0.07 -0.11 0.52 0.00 -1.61 0.00 0.00 39.48 38.36 2g2k n PHE 96 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 2g2k n VAL 97 N -1.63 0.00 -1.47 1.97 0.24 0.96 -4.68 118.33 113.73 2g2k n VAL 97 Ca -0.01 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 2g2k n VAL 97 Cb 0.13 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.23 2g2k n VAL 97 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2g2k n LEU 98 N -1.31 1.07 -4.89 1.34 4.32 -1.02 -4.64 117.00 111.88 2g2k n LEU 98 Ca 0.09 -2.35 -0.30 0.00 -0.02 0.00 0.00 56.01 53.44 2g2k n LEU 98 Cb 0.31 -1.58 -0.03 0.00 -1.62 0.00 0.00 43.42 40.51 2g2k n LEU 98 CO 0.28 -3.45 0.37 0.00 -1.22 0.00 0.00 177.39 173.38 2g2k n PRO 100 N -1.25 0.67 -0.75 0.00 -0.04 -1.26 -2.81 135.00 129.56 2g2k n PRO 100 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2g2k n PRO 100 Cb 0.54 -1.35 0.36 0.00 -0.04 0.00 0.00 33.50 33.01 2g2k n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g2k n GLU 101 N -0.85 4.25 -2.37 0.54 -0.58 -1.26 -4.89 120.64 115.47 2g2k n GLU 101 Ca 0.11 -2.82 -0.01 0.00 -0.42 0.00 0.00 57.16 54.02 2g2k n GLU 101 Cb 0.05 -2.09 0.01 0.00 -0.57 0.00 0.00 31.44 28.84 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2g2k h GLU 103 N -0.15 0.00 0.00 0.00 -0.00 -1.81 -3.38 114.58 109.23 2g2k h GLU 103 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 2g2k h GLU 103 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.77 2g2k h GLU 103 CO 0.03 0.00 0.00 0.09 -0.00 0.00 0.00 179.01 179.13 2g2k n ASN 104 N -3.21 0.00 -4.75 3.06 4.13 -1.26 -4.18 115.26 109.05 2g2k n ASN 104 Ca 0.14 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.05 2g2k n ASN 104 Cb 1.17 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 39.45 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 0.00 2.93 0.11 3.52 0.04 -1.26 -4.93 135.00 135.40 2g2k s PRO 105 Ca 0.00 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.56 2g2k s PRO 105 Cb 0.00 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 2g2k s PRO 105 CO 0.00 -1.24 1.41 -1.83 0.04 0.00 0.00 177.00 175.38 2g2k s GLU 106 N -3.35 4.30 0.36 4.56 -1.05 -1.26 -4.82 118.70 117.43 2g2k s GLU 106 Ca 0.78 2.10 0.08 0.00 -0.15 0.00 0.00 54.97 57.77 2g2k s GLU 106 Cb -0.31 -3.28 -0.04 0.00 -0.44 0.00 0.00 34.13 30.07 2g2k s GLU 106 CO 0.34 -0.47 0.20 0.95 0.95 0.00 0.00 175.26 177.23 2g2k s THR 107 N 1.26 3.01 0.14 1.83 -4.23 -1.26 -4.59 115.64 111.79 2g2k s THR 107 Ca 0.65 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 59.66 2g2k s THR 107 Cb -0.37 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 2g2k s THR 107 CO 0.30 -0.14 -0.11 1.51 -0.54 0.00 0.00 174.62 175.64 2g2k s ASP 108 N -3.92 4.25 0.12 3.99 1.47 -0.88 -4.92 116.67 116.79 2g2k s ASP 108 Ca 0.40 -0.49 0.11 0.00 1.18 0.00 0.00 52.55 53.74 2g2k s ASP 108 Cb -0.03 -0.74 -0.04 0.00 -0.34 0.00 0.00 42.92 41.77 2g2k s ASP 108 CO 0.24 0.15 -0.25 -1.48 0.68 0.00 0.00 175.17 174.50 2g2k s LEU 109 N -2.46 2.37 -0.16 2.11 0.05 -1.26 -0.30 118.68 119.04 2g2k s LEU 109 Ca 0.22 -0.70 0.00 0.00 0.05 0.00 0.00 54.13 53.70 2g2k s LEU 109 Cb -0.10 -1.28 0.02 0.00 -2.05 0.00 0.00 46.19 42.78 2g2k s LEU 109 CO 0.14 0.19 -0.14 -1.00 -0.55 0.00 0.00 176.35 174.98 2g2k s HIS 110 N -1.05 2.24 -0.19 3.48 3.76 0.26 -4.87 115.29 118.91 2g2k s HIS 110 Ca 0.14 -1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 53.67 2g2k s HIS 110 Cb -0.10 -1.63 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 2g2k s HIS 110 CO 0.06 -0.69 0.10 0.54 -0.85 0.00 0.00 174.74 173.90 2g2k s VAL 111 N 1.46 5.11 -0.23 -0.90 0.11 -1.26 0.13 120.40 124.82 2g2k s VAL 111 Ca 0.04 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 2g2k s VAL 111 Cb -0.13 -3.32 -0.05 0.00 -1.53 0.00 0.00 36.38 31.35 2g2k s VAL 111 CO -0.11 0.44 0.14 0.21 -3.33 0.00 0.00 175.10 172.46 2g2k s ASN 112 N 0.41 5.93 0.23 3.54 3.84 0.24 -4.85 114.94 124.28 2g2k s ASN 112 Ca 0.06 0.06 0.06 0.00 0.21 0.00 0.00 52.86 53.26 2g2k s ASN 112 Cb -0.12 -2.07 0.22 0.00 -0.55 0.00 0.00 41.25 38.74 2g2k s ASN 112 CO -0.01 0.06 1.53 1.55 -2.79 0.00 0.00 177.10 177.45 2g2k h PRO 113 N 7.53 0.13 -0.06 0.43 0.13 -1.87 1.34 132.00 139.63 2g2k h PRO 113 Ca -0.38 -0.11 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2g2k h PRO 113 Cb 1.17 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2g2k h PRO 113 CO 0.65 0.76 -0.71 1.57 -0.23 0.00 0.00 178.00 180.03 2g2k h LYS 114 N 0.09 0.30 -0.01 0.86 2.10 -1.93 -3.25 116.57 114.73 2g2k h LYS 114 Ca -0.01 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2g2k h LYS 114 Cb 1.20 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2g2k h LYS 114 CO 0.10 0.89 -0.21 1.17 -2.00 0.00 0.00 179.45 179.40 2g2k n LYS 115 N -3.81 1.68 -3.73 0.07 4.81 -1.20 -4.98 118.16 111.00 2g2k n LYS 115 Ca -0.03 -0.83 -0.28 0.00 -0.87 0.00 0.00 58.31 56.29 2g2k n LYS 115 Cb 0.69 -1.19 0.02 0.00 0.02 0.00 0.00 35.03 34.57 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 0.01 -4.83 -4.45 1.64 6.02 0.46 -4.96 117.38 111.27 2g2k n GLN 116 Ca 0.06 0.58 -0.23 0.00 -0.01 0.00 0.00 57.00 57.40 2g2k n GLN 116 Cb 0.28 -5.42 -0.10 0.00 1.02 0.00 0.00 30.24 26.02 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g2k s THR 117 N -3.20 2.34 -0.10 5.09 -4.23 -1.00 -4.89 115.64 109.66 2g2k s THR 117 Ca 0.58 -2.35 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2g2k s THR 117 Cb -0.29 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.32 2g2k s THR 117 CO 0.72 -0.41 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.61 2g2k s ILE 118 N -2.53 1.36 0.32 2.99 1.01 -1.26 0.81 121.20 123.91 2g2k s ILE 118 Ca 0.28 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.43 2g2k s ILE 118 Cb -0.04 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 2g2k s ILE 118 CO 0.13 0.41 0.34 -0.83 0.00 0.00 0.00 174.94 175.00 2g2k s GLY 119 N 0.95 1.62 -0.07 6.18 0.00 0.34 -2.01 107.32 114.34 2g2k s GLY 119 Ca -0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 2g2k s GLY 119 CO -0.00 -1.47 0.15 0.21 0.00 0.00 0.00 173.10 171.99 2g2k s ASN 120 N -4.03 -0.08 -0.16 1.64 3.84 -0.80 0.91 114.94 116.26 2g2k s ASN 120 Ca 0.40 0.31 0.01 0.00 0.21 0.00 0.00 52.86 53.79 2g2k s ASN 120 Cb -0.08 0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.83 2g2k s ASN 120 CO 0.28 -0.15 -0.16 -0.94 -2.79 0.00 0.00 177.10 173.33 2g2k s SER 121 N 1.23 3.54 -0.13 -4.21 1.04 0.59 0.15 113.70 115.91 2g2k s SER 121 Ca -0.09 -0.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.81 2g2k s SER 121 Cb -0.12 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 2g2k s SER 121 CO -0.06 0.07 -0.01 0.00 0.98 0.00 0.00 173.24 174.22 2g2k n LYS 123 N 2.91 0.01 0.17 0.00 4.81 -1.26 0.33 118.16 125.12 2g2k n LYS 123 Ca -0.18 0.92 0.03 0.00 -0.87 0.00 0.00 58.31 58.21 2g2k n LYS 123 Cb 0.53 -2.19 0.27 0.00 0.02 0.00 0.00 35.03 33.66 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 0.69 1.01 0.00 3.14 0.00 -1.94 -3.46 119.26 118.70 2g2k h ALA 124 Ca 0.66 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2g2k h ALA 124 Cb 3.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.71 2g2k h ALA 124 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2g2k n GLY 126 N 0.00 -0.53 0.06 0.00 0.00 -1.26 -0.15 105.19 103.31 2g2k n GLY 126 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.01 0.00 -0.67 1.61 4.19 -1.26 -5.02 117.16 112.00 2g2k n TYR 127 Ca 0.25 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 61.20 2g2k n TYR 127 Cb 0.98 -0.51 -0.04 0.00 0.49 0.00 0.00 39.34 40.26 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 -2.54 0.00 0.00 2.98 0.00 0.79 -4.33 116.66 113.55 2g2k n ARG 128 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 2g2k n ARG 128 Cb 0.81 -0.62 0.00 0.00 0.00 0.00 0.00 32.46 32.65 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2g2k n GLY 129 N 1.10 -1.29 3.41 5.14 0.00 0.39 -4.90 105.19 109.04 2g2k n GLY 129 Ca 0.10 0.46 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 1.47 0.35 1.61 1.75 -1.26 -1.91 119.30 121.31 2g2k s MET 130 Ca 0.00 -1.40 -0.27 0.00 -1.25 0.00 0.00 55.69 52.77 2g2k s MET 130 Cb 0.00 -1.89 -0.09 0.00 2.84 0.00 0.00 34.83 35.69 2g2k s MET 130 CO 0.00 0.43 1.15 -1.17 -0.65 0.00 0.00 175.02 174.78 2g2k s LEU 131 N -2.29 4.33 0.00 4.11 2.96 -0.85 -4.40 118.68 122.54 2g2k s LEU 131 Ca 0.17 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 2g2k s LEU 131 Cb -0.09 -3.87 0.00 0.00 0.50 0.00 0.00 46.19 42.72 2g2k s LEU 131 CO 0.08 -0.46 0.46 0.47 -1.32 0.00 0.00 176.35 175.58 2g2k n ASP 132 N 0.50 0.00 -1.44 3.68 9.92 -1.26 -4.88 116.55 123.06 2g2k n ASP 132 Ca 0.02 0.46 -0.03 0.00 -0.53 0.00 0.00 54.79 54.72 2g2k n ASP 132 Cb 0.46 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 2g2k n ASP 132 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2g2k n THR 133 N -1.18 0.00 0.00 -3.53 -2.24 -1.26 -5.17 114.28 100.90 2g2k n THR 133 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2g2k n THR 133 Cb 0.00 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.13 0.00 0.00 4.78 8.25 -1.26 -4.62 115.22 122.23 2g2k n HIS 134 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2g2k n HIS 134 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2g2k n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2g2k n HIS 135 N 0.00 0.00 -0.85 4.41 -0.00 -1.26 -4.70 115.22 112.82 2g2k n HIS 135 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 2g2k n HIS 135 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.19 2g2k n HIS 135 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2g2k n LYS 136 N 0.00 -2.83 0.15 1.57 5.02 -1.26 -4.74 118.16 116.07 2g2k n LYS 136 Ca 0.00 -1.34 0.06 0.00 -2.02 0.00 0.00 58.31 55.02 2g2k n LYS 136 Cb 0.00 -1.29 0.35 0.00 -0.02 0.00 0.00 35.03 34.07 2g2k n LYS 136 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2g2k n LEU 137 N 0.00 0.33 -0.29 -0.35 -0.00 -1.26 -1.47 117.00 113.96 2g2k n LEU 137 Ca 0.12 0.55 0.02 0.00 -0.00 0.00 0.00 56.01 56.69 2g2k n LEU 137 Cb 0.46 -0.51 0.15 0.00 -0.00 0.00 0.00 43.42 43.51 2g2k n LEU 137 CO 0.31 -0.67 1.15 0.00 -0.00 0.00 0.00 177.39 178.19 2g2k h THR 139 N 0.84 1.27 -0.29 0.00 2.02 -1.53 -1.65 112.91 113.56 2g2k h THR 139 Ca 0.38 -1.49 0.04 0.00 0.77 0.00 0.00 66.41 66.10 2g2k h THR 139 Cb 0.27 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2g2k h THR 139 CO -0.21 0.50 0.07 0.15 0.37 0.00 0.00 175.52 176.40 2g2k h PHE 140 N 0.76 0.12 -0.53 3.16 3.57 -1.43 -1.77 116.94 120.81 2g2k h PHE 140 Ca 0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2g2k h PHE 140 Cb 0.90 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2g2k h PHE 140 CO 0.06 0.04 0.01 -0.84 -2.23 0.00 0.00 178.31 175.34 2g2k h ILE 141 N 0.18 1.26 -0.55 1.41 3.07 -1.32 1.16 117.51 122.73 2g2k h ILE 141 Ca 0.13 -1.09 0.16 0.00 1.55 0.00 0.00 64.86 65.61 2g2k h ILE 141 Cb 0.13 0.92 -0.02 0.00 -0.27 0.00 0.00 36.82 37.57 2g2k h ILE 141 CO -0.16 0.39 0.41 0.25 -1.05 0.00 0.00 178.15 177.98 2g2k h LEU 142 N 0.80 0.00 0.00 0.16 7.12 -0.60 -3.05 115.31 119.75 2g2k h LEU 142 Ca 0.15 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.96 2g2k h LEU 142 Cb 0.52 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.61 2g2k h LEU 142 CO 0.03 0.00 -1.77 1.17 -0.13 0.00 0.00 178.44 177.74 2g2k n LYS 143 N -4.30 0.94 0.00 1.25 4.81 -0.73 -4.81 118.16 115.32 2g2k n LYS 143 Ca 0.10 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2g2k n LYS 143 Cb 0.64 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.41 2g2k n LYS 143 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g2k n ASN 144 N -2.74 0.00 -4.60 3.14 5.03 0.40 -4.42 115.26 112.07 2g2k n ASN 144 Ca -0.22 0.69 -0.43 0.00 0.87 0.00 0.00 54.58 55.49 2g2k n ASN 144 Cb 0.79 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 39.33 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 -1.76 3.30 -1.27 3.52 0.04 -1.16 -4.88 135.00 132.79 2g2k s PRO 145 Ca 0.00 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2g2k s PRO 145 Cb 0.00 -4.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.28 2g2k s PRO 145 CO 0.00 -1.89 2.38 -0.35 0.04 0.00 0.00 177.00 177.17 2g2k n PRO 146 N 8.45 2.70 -1.38 0.56 -0.04 -1.26 -4.79 135.00 139.25 2g2k n PRO 146 Ca 0.22 -2.09 -0.51 0.00 -0.04 0.00 0.00 63.50 61.09 2g2k n PRO 146 Cb 0.47 -2.89 -0.13 0.00 -0.04 0.00 0.00 33.50 30.91 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 5.08 0.04 -3.81 0.54 4.07 -1.26 -4.86 120.64 120.44 2g2k n GLU 147 Ca 0.58 0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 57.58 2g2k n GLU 147 Cb 0.29 -1.55 -0.08 0.00 -0.06 0.00 0.00 31.44 30.04 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 7.51 -0.03 0.17 4.31 0.01 -1.26 -4.13 114.94 121.52 2g2k s ASN 148 Ca 1.27 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 2g2k s ASN 148 Cb -1.36 0.33 0.00 0.00 0.41 0.00 0.00 41.25 40.63 2g2k s ASN 148 CO 0.57 -0.61 0.00 -0.24 -1.51 0.00 0.00 177.10 175.31 2g2k n SER 149 N 0.53 0.00 -2.75 -1.22 2.88 -1.26 -4.52 113.62 107.28 2g2k n SER 149 Ca -0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.27 2g2k n SER 149 Cb 0.60 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.14 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 -3.75 -1.59 0.00 -3.46 -0.08 -1.26 -5.04 116.55 101.37 2g2k n ASP 150 Ca 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 2g2k n ASP 150 Cb 0.00 1.14 0.00 0.00 2.34 0.00 0.00 41.12 44.60 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 -0.09 0.00 0.00 1.67 7.64 -1.26 -5.09 113.62 116.49 2g2k n SER 151 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2g2k n SER 151 Cb 0.77 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 2.47 -1.06 0.00 0.23 0.00 -1.26 -5.06 105.19 100.51 2g2k n GLY 152 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2g2k n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2g2k n THR 153 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -5.13 114.28 108.26 2g2k n THR 153 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2g2k n THR 153 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2g2k n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g2k n GLY 154 N 2.92 2.88 3.33 3.38 0.00 -1.26 -5.12 105.19 111.31 2g2k n GLY 154 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 2g2k n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g2k s LYS 155 N -4.01 1.79 0.00 1.61 0.00 -1.26 -5.25 119.74 112.62 2g2k s LYS 155 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 55.97 53.92 2g2k s LYS 155 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 37.83 37.99 2g2k s LYS 155 CO 0.00 -0.62 0.00 1.63 0.00 0.00 0.00 175.35 176.36