#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 3.54 -3.97 -1.43 3.41 -1.26 -4.84 113.62 109.07 2g2k n SER 2 Ca 0.00 -2.40 -0.21 0.00 -0.26 0.00 0.00 58.87 56.01 2g2k n SER 2 Cb 0.00 -0.52 -0.16 0.00 -0.26 0.00 0.00 64.21 63.27 2g2k n SER 2 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2g2k s VAL 3 N -1.87 0.75 0.65 -3.33 1.01 -1.26 -5.14 120.40 111.21 2g2k s VAL 3 Ca 0.34 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2g2k s VAL 3 Cb 0.23 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 2g2k s VAL 3 CO 0.14 0.25 1.07 0.21 0.00 0.00 0.00 175.10 176.77 2g2k s ASN 4 N 0.45 5.42 0.65 3.32 2.47 -1.26 -4.87 114.94 121.13 2g2k s ASN 4 Ca -0.07 1.80 0.27 0.00 0.42 0.00 0.00 52.86 55.28 2g2k s ASN 4 Cb -0.11 -2.52 1.47 0.00 -1.45 0.00 0.00 41.25 38.64 2g2k s ASN 4 CO 0.01 -1.41 1.84 0.58 -3.72 0.00 0.00 177.10 174.40 2g2k h VAL 5 N -0.11 0.07 -2.67 -5.21 2.07 -2.00 -3.44 116.25 104.96 2g2k h VAL 5 Ca -0.46 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 66.75 2g2k h VAL 5 Cb 1.22 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2g2k h VAL 5 CO 0.56 0.00 -0.36 -3.20 0.02 0.00 0.00 177.57 174.59 2g2k n ASN 6 N -3.02 -4.45 0.07 0.57 5.15 -1.26 -4.77 115.26 107.55 2g2k n ASN 6 Ca 0.00 0.22 0.06 0.00 -0.60 0.00 0.00 54.58 54.26 2g2k n ASN 6 Cb 0.49 -3.86 0.30 0.00 -0.53 0.00 0.00 39.78 36.19 2g2k n ASN 6 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2g2k n ARG 7 N -2.56 0.07 -0.04 1.20 0.63 -1.26 -1.24 116.66 113.46 2g2k n ARG 7 Ca -0.17 0.52 0.04 0.00 -0.92 0.00 0.00 57.85 57.32 2g2k n ARG 7 Cb 0.59 -1.71 0.20 0.00 0.45 0.00 0.00 32.46 31.99 2g2k n ARG 7 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2g2k n SER 8 N -1.86 0.54 0.00 6.15 2.88 -1.26 -4.61 113.62 115.47 2g2k n SER 8 Ca 0.00 -1.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2g2k n SER 8 Cb 0.05 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2g2k n SER 8 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2g2k n VAL 9 N -0.28 0.00 -1.33 2.46 0.24 -0.37 -4.91 118.33 114.14 2g2k n VAL 9 Ca 0.07 0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.76 2g2k n VAL 9 Cb 0.11 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.62 2g2k n VAL 9 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2g2k n MET 10 N 0.00 -1.99 -2.91 7.34 1.56 -1.26 -4.76 117.12 115.09 2g2k n MET 10 Ca 0.00 1.31 -0.38 0.00 -0.27 0.00 0.00 57.70 58.37 2g2k n MET 10 Cb 0.00 -2.43 -0.06 0.00 2.15 0.00 0.00 33.22 32.88 2g2k n MET 10 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2g2k s ASP 11 N -5.67 7.31 0.02 6.12 1.11 -1.26 -4.97 116.67 119.32 2g2k s ASP 11 Ca 0.00 1.69 0.03 0.00 0.18 0.00 0.00 52.55 54.45 2g2k s ASP 11 Cb 0.00 -2.52 -0.25 0.00 1.07 0.00 0.00 42.92 41.22 2g2k s ASP 11 CO 0.00 0.05 0.93 -0.61 1.18 0.00 0.00 175.17 176.71 2g2k h GLN 12 N 3.59 0.13 0.00 8.23 4.15 -1.99 -3.48 115.11 125.75 2g2k h GLN 12 Ca -0.47 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 58.73 2g2k h GLN 12 Cb 1.20 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2g2k h GLN 12 CO 0.66 0.96 0.00 0.34 -1.93 0.00 0.00 178.83 178.85 2g2k n PHE 13 N -3.34 -1.43 0.00 3.99 7.35 -1.26 -5.09 117.46 117.68 2g2k n PHE 13 Ca -0.12 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2g2k n PHE 13 Cb 1.02 0.52 0.00 0.00 0.35 0.00 0.00 39.48 41.37 2g2k n PHE 13 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2g2k n TYR 14 N -2.13 0.00 0.20 -5.13 9.36 -1.26 -5.03 117.16 113.17 2g2k n TYR 14 Ca 0.00 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.29 2g2k n TYR 14 Cb 0.00 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.61 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 1.03 -4.21 2.98 0.63 -1.26 -4.99 116.66 110.84 2g2k n ARG 15 Ca 0.00 -0.09 -0.19 0.00 -0.92 0.00 0.00 57.85 56.64 2g2k n ARG 15 Cb 0.00 -1.29 -0.12 0.00 0.45 0.00 0.00 32.46 31.50 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 -2.80 1.37 -0.13 -0.14 1.13 -1.26 -5.14 117.35 110.38 2g2k s TYR 16 Ca -0.02 -0.47 -0.01 0.00 -1.41 0.00 0.00 57.07 55.16 2g2k s TYR 16 Cb 0.10 -0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 40.19 2g2k s TYR 16 CO 0.60 0.11 -0.11 0.21 -2.51 0.00 0.00 175.55 173.85 2g2k s LYS 17 N -1.98 3.40 -0.25 -3.49 2.20 -1.26 -5.08 119.74 113.28 2g2k s LYS 17 Ca 0.02 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 54.95 2g2k s LYS 17 Cb -0.09 -2.69 0.08 0.00 -1.51 0.00 0.00 37.83 33.63 2g2k s LYS 17 CO 0.03 0.25 0.10 1.41 -0.36 0.00 0.00 175.35 176.78 2g2k s MET 18 N 0.27 0.28 0.00 4.03 1.75 -1.26 -5.13 119.30 119.24 2g2k s MET 18 Ca -0.08 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 2g2k s MET 18 Cb -0.15 -1.56 0.00 0.00 2.84 0.00 0.00 34.83 35.95 2g2k s MET 18 CO 0.05 -0.87 0.00 -0.35 -0.65 0.00 0.00 175.02 173.19 2g2k n PRO 19 N 5.18 1.73 -0.53 4.11 -0.04 -1.26 -5.04 135.00 139.15 2g2k n PRO 19 Ca -0.06 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2g2k n PRO 19 Cb 0.45 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2g2k n PRO 19 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2g2k n ARG 20 N 0.00 0.00 -3.11 0.54 0.00 -1.26 -5.08 116.66 107.75 2g2k n ARG 20 Ca 0.00 -0.59 -0.40 0.00 -0.00 0.00 0.00 57.85 56.86 2g2k n ARG 20 Cb 0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 32.46 32.15 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 0.00 4.12 -0.15 2.89 1.98 -1.26 -4.90 118.68 121.37 2g2k s LEU 21 Ca 0.01 0.80 -0.08 0.00 -2.89 0.00 0.00 54.13 51.98 2g2k s LEU 21 Cb 0.01 -2.89 -0.04 0.00 0.66 0.00 0.00 46.19 43.93 2g2k s LEU 21 CO -0.00 -0.30 0.12 -0.63 -1.89 0.00 0.00 176.35 173.64 2g2k s ILE 22 N 2.09 5.35 -0.00 6.68 -1.09 -1.26 -4.61 121.20 128.35 2g2k s ILE 22 Ca 0.28 0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.92 2g2k s ILE 22 Cb -0.16 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2g2k s ILE 22 CO 0.10 0.55 -0.20 0.00 -1.23 0.00 0.00 174.94 174.16 2g2k s ALA 23 N -0.50 1.69 -0.03 9.38 0.00 -1.26 -4.26 121.76 126.78 2g2k s ALA 23 Ca 0.12 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2g2k s ALA 23 Cb -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2g2k s ALA 23 CO 0.02 0.40 -0.20 0.21 0.00 0.00 0.00 175.76 176.19 2g2k s LYS 24 N -0.64 1.81 -0.07 0.00 2.20 -0.92 -4.67 119.74 117.44 2g2k s LYS 24 Ca 0.08 -0.72 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 2g2k s LYS 24 Cb -0.08 -1.66 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 2g2k s LYS 24 CO -0.00 0.38 0.41 0.54 -0.36 0.00 0.00 175.35 176.32 2g2k s VAL 25 N -0.29 5.13 0.26 4.02 0.11 -1.26 0.28 120.40 128.65 2g2k s VAL 25 Ca 0.03 0.83 0.10 0.00 -2.93 0.00 0.00 61.98 60.01 2g2k s VAL 25 Cb -0.10 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2g2k s VAL 25 CO 0.01 0.46 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.51 2g2k s GLU 26 N -0.24 2.21 -0.59 1.54 2.12 0.26 -4.92 118.70 119.08 2g2k s GLU 26 Ca 0.23 -1.44 0.06 0.00 0.36 0.00 0.00 54.97 54.18 2g2k s GLU 26 Cb -0.16 -2.12 0.26 0.00 0.26 0.00 0.00 34.13 32.38 2g2k s GLU 26 CO 0.11 0.37 0.74 0.41 -0.54 0.00 0.00 175.26 176.34 2g2k n GLY 27 N -0.79 4.58 3.16 -1.50 0.00 -1.26 -2.16 105.19 107.22 2g2k n GLY 27 Ca -0.07 -2.56 -0.10 0.00 0.00 0.00 0.00 46.02 43.29 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 -2.39 0.69 0.37 1.61 2.20 -1.26 -4.67 119.74 116.28 2g2k s LYS 28 Ca 0.40 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 2g2k s LYS 28 Cb 0.17 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 2g2k s LYS 28 CO -0.04 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 2g2k n GLY 29 N 0.58 0.58 0.06 5.54 0.00 -1.26 -1.84 105.19 108.86 2g2k n GLY 29 Ca -0.18 0.68 0.12 0.00 0.00 0.00 0.00 46.02 46.64 2g2k n GLY 29 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2g2k h ASN 30 N 0.00 0.00 0.00 1.61 -1.24 -1.96 -3.47 115.58 110.52 2g2k h ASN 30 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2g2k h ASN 30 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2g2k h ASN 30 CO 0.00 0.11 0.00 0.61 -1.29 0.00 0.00 177.43 176.86 2g2k n GLY 31 N 1.33 1.69 2.91 1.57 0.00 -0.76 -4.92 105.19 107.01 2g2k n GLY 31 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2g2k n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g2k s ILE 32 N -3.08 -0.63 0.10 -0.61 -1.09 -1.23 -4.44 121.20 110.22 2g2k s ILE 32 Ca 0.00 -0.72 0.06 0.00 -2.23 0.00 0.00 60.65 57.76 2g2k s ILE 32 Cb 0.00 -0.36 -0.03 0.00 -1.58 0.00 0.00 42.46 40.49 2g2k s ILE 32 CO 0.00 -0.33 -0.15 -0.75 -1.23 0.00 0.00 174.94 172.49 2g2k s LYS 33 N 1.42 0.95 -0.28 2.79 2.20 -0.92 -1.29 119.74 124.61 2g2k s LYS 33 Ca 0.19 -1.12 -0.06 0.00 -0.36 0.00 0.00 55.97 54.62 2g2k s LYS 33 Cb -0.08 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 2g2k s LYS 33 CO -0.05 0.19 0.06 0.99 -0.36 0.00 0.00 175.35 176.17 2g2k s THR 34 N -1.73 3.86 -0.29 3.43 2.01 0.34 0.91 115.64 124.16 2g2k s THR 34 Ca 0.05 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 2g2k s THR 34 Cb -0.07 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2g2k s THR 34 CO 0.03 0.15 0.16 0.54 -0.69 0.00 0.00 174.62 174.81 2g2k s VAL 35 N 1.50 4.84 -0.39 3.82 0.11 0.14 0.15 120.40 130.57 2g2k s VAL 35 Ca 0.03 -0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 58.74 2g2k s VAL 35 Cb -0.17 -3.38 0.01 0.00 -1.53 0.00 0.00 36.38 31.31 2g2k s VAL 35 CO 0.01 0.16 0.46 -0.63 -3.33 0.00 0.00 175.10 171.78 2g2k s ILE 36 N 1.67 5.06 -0.21 7.04 1.01 -0.95 -2.18 121.20 132.65 2g2k s ILE 36 Ca 0.06 -0.04 0.21 0.00 0.00 0.00 0.00 60.65 60.88 2g2k s ILE 36 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2g2k s ILE 36 CO 0.08 -0.31 1.01 -0.37 0.00 0.00 0.00 174.94 175.34 2g2k h VAL 37 N 5.67 0.17 -0.43 2.92 -1.51 -1.83 -3.31 116.25 117.93 2g2k h VAL 37 Ca -0.27 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 2g2k h VAL 37 Cb 1.12 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2g2k h VAL 37 CO 0.78 0.10 0.00 0.59 -1.23 0.00 0.00 177.57 177.80 2g2k n ASN 38 N -2.77 2.57 -0.16 4.19 4.13 -1.26 -4.29 115.26 117.67 2g2k n ASN 38 Ca -0.03 -2.08 -0.07 0.00 1.68 0.00 0.00 54.58 54.08 2g2k n ASN 38 Cb 0.64 -0.34 0.02 0.00 -1.54 0.00 0.00 39.78 38.56 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 2g2k h MET 39 N 2.55 0.64 -0.41 3.52 4.05 -1.88 0.20 114.93 123.59 2g2k h MET 39 Ca 0.00 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.29 2g2k h MET 39 Cb 0.71 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2g2k h MET 39 CO 0.04 0.42 -0.10 -0.39 0.23 0.00 0.00 176.91 177.11 2g2k h VAL 40 N 0.66 1.27 0.01 -5.77 -1.51 -1.87 0.14 116.25 109.18 2g2k h VAL 40 Ca 0.18 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 2g2k h VAL 40 Cb -0.08 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2g2k h VAL 40 CO -0.04 0.40 -0.00 0.44 -1.23 0.00 0.00 177.57 177.14 2g2k h ASP 41 N 0.62 -0.01 -0.41 4.19 5.19 -1.75 -0.76 116.42 123.49 2g2k h ASP 41 Ca 0.10 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 56.21 2g2k h ASP 41 Cb 0.63 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2g2k h ASP 41 CO 0.04 0.24 0.03 0.58 -3.12 0.00 0.00 179.24 177.01 2g2k h VAL 42 N -0.26 1.25 -0.47 -1.35 2.07 -0.62 -2.74 116.25 114.14 2g2k h VAL 42 Ca -0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2g2k h VAL 42 Cb 0.25 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2g2k h VAL 42 CO 0.00 0.32 0.25 0.00 0.02 0.00 0.00 177.57 178.16 2g2k h ALA 43 N 0.91 1.56 -0.64 1.67 0.00 -0.67 -1.99 119.26 120.09 2g2k h ALA 43 Ca 0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2g2k h ALA 43 Cb 0.43 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2g2k h ALA 43 CO 0.01 0.37 0.11 -0.22 0.00 0.00 0.00 179.25 179.52 2g2k h LYS 44 N 0.65 1.05 0.00 0.00 3.11 -0.85 0.16 116.57 120.69 2g2k h LYS 44 Ca 0.17 -0.27 -0.04 0.00 -2.81 0.00 0.00 60.65 57.70 2g2k h LYS 44 Cb 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 2g2k h LYS 44 CO -0.03 0.96 -0.18 0.00 -2.81 0.00 0.00 179.45 177.40 2g2k h ALA 45 N 1.12 0.97 -0.21 5.00 0.00 -1.13 -2.93 119.26 122.08 2g2k h ALA 45 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2g2k h ALA 45 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2g2k h ALA 45 CO 0.01 0.22 0.00 -0.11 0.00 0.00 0.00 179.25 179.37 2g2k n LEU 46 N -3.26 3.05 0.00 0.00 7.94 -0.81 -4.97 117.00 118.95 2g2k n LEU 46 Ca 0.01 -1.29 0.00 0.00 -1.11 0.00 0.00 56.01 53.62 2g2k n LEU 46 Cb 0.45 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.28 2g2k n LEU 46 CO 0.33 0.61 0.00 0.59 -1.11 0.00 0.00 177.39 177.81 2g2k n ASN 47 N 1.26 0.00 -4.67 1.96 4.13 0.52 -4.77 115.26 113.69 2g2k n ASN 47 Ca 0.15 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.98 2g2k n ASN 47 Cb 0.54 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.76 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2g2k s ARG 48 N 0.00 4.31 0.39 3.52 0.52 -1.26 -4.76 118.95 121.68 2g2k s ARG 48 Ca 0.00 1.55 -0.25 0.00 -0.52 0.00 0.00 55.73 56.51 2g2k s ARG 48 Cb 0.00 -3.63 -0.09 0.00 0.52 0.00 0.00 34.95 31.75 2g2k s ARG 48 CO 0.00 -0.54 1.10 -1.25 0.02 0.00 0.00 175.30 174.64 2g2k s PRO 49 N 2.75 4.13 0.00 3.54 0.04 -1.26 -4.82 135.00 139.38 2g2k s PRO 49 Ca 0.52 1.67 0.21 0.00 0.04 0.00 0.00 61.00 63.43 2g2k s PRO 49 Cb -0.21 -2.63 1.23 0.00 0.04 0.00 0.00 34.50 32.94 2g2k s PRO 49 CO 0.16 -0.21 1.62 -0.35 0.04 0.00 0.00 177.00 178.26 2g2k n PRO 50 N 0.06 0.64 0.31 0.56 -0.04 -1.26 -3.47 135.00 131.79 2g2k n PRO 50 Ca 0.04 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.70 2g2k n PRO 50 Cb 0.48 -1.50 1.00 0.00 -0.04 0.00 0.00 33.50 33.44 2g2k n PRO 50 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 51 N 0.00 0.13 0.00 0.52 1.35 -1.98 0.21 112.91 113.14 2g2k h THR 51 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2g2k h THR 51 Cb 0.00 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2g2k h THR 51 CO 0.00 0.00 -0.12 1.88 -0.25 0.00 0.00 175.52 177.03 2g2k h TYR 52 N 0.00 0.00 0.00 4.73 -1.99 -1.97 -3.34 116.97 114.40 2g2k h TYR 52 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2g2k h TYR 52 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 2g2k h TYR 52 CO 0.00 0.12 0.00 -0.35 -0.00 0.00 0.00 178.16 177.93 2g2k n PRO 53 N -4.73 0.72 0.30 4.88 -0.04 -1.09 -3.49 135.00 131.56 2g2k n PRO 53 Ca -0.03 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.60 2g2k n PRO 53 Cb 0.11 -1.50 0.96 0.00 -0.04 0.00 0.00 33.50 33.03 2g2k n PRO 53 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 54 N 0.00 0.37 -0.16 0.52 1.35 -0.70 -2.39 112.91 111.90 2g2k h THR 54 Ca 0.00 -0.12 -0.17 0.00 -0.55 0.00 0.00 66.41 65.57 2g2k h THR 54 Cb 0.01 1.08 0.01 0.00 -1.73 0.00 0.00 68.15 67.52 2g2k h THR 54 CO 0.00 0.02 -0.56 0.50 -0.25 0.00 0.00 175.52 175.23 2g2k h LYS 55 N 0.00 0.66 0.06 4.72 3.64 -1.81 -2.74 116.57 121.10 2g2k h LYS 55 Ca -0.00 -0.50 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2g2k h LYS 55 Cb 0.08 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2g2k h LYS 55 CO 0.00 1.12 -0.08 -0.92 -2.27 0.00 0.00 179.45 177.30 2g2k h TYR 56 N 0.33 -0.20 -0.72 1.91 3.20 -1.70 -0.75 116.97 119.05 2g2k h TYR 56 Ca -0.03 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2g2k h TYR 56 Cb 1.19 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 2g2k h TYR 56 CO 0.10 -0.12 0.43 0.74 -1.64 0.00 0.00 178.16 177.67 2g2k h PHE 57 N -0.17 0.80 -0.47 -3.82 0.04 -1.61 -1.17 116.94 110.53 2g2k h PHE 57 Ca 0.01 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2g2k h PHE 57 Cb 0.17 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2g2k h PHE 57 CO -0.12 0.42 0.24 0.78 -0.60 0.00 0.00 178.31 179.04 2g2k h GLY 58 N 0.82 0.70 0.86 -1.45 0.00 -1.13 -1.94 103.07 100.92 2g2k h GLY 58 Ca 0.30 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2g2k h GLY 58 CO -0.15 0.29 0.54 0.00 0.00 0.00 0.00 176.54 177.22 2g2k h GLU 60 N 0.83 0.27 -0.35 0.00 4.39 -1.27 -2.61 114.58 115.83 2g2k h GLU 60 Ca 0.37 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2g2k h GLU 60 Cb 0.35 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2g2k h GLU 60 CO -0.14 0.44 0.00 1.47 -1.16 0.00 0.00 179.01 179.62 2g2k n LEU 61 N -4.79 0.94 0.00 1.33 -0.00 -0.86 -4.83 117.00 108.80 2g2k n LEU 61 Ca -0.05 -0.47 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 2g2k n LEU 61 Cb 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2g2k n LEU 61 CO 0.36 0.20 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 2g2k n GLY 62 N 0.51 0.25 3.65 1.47 0.00 -0.55 -4.88 105.19 105.64 2g2k n GLY 62 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.66 3.25 0.00 4.61 0.00 0.08 -4.94 121.76 123.10 2g2k s ALA 63 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.10 2g2k s ALA 63 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2g2k s ALA 63 CO 0.00 0.11 0.00 0.94 0.00 0.00 0.00 175.76 176.81 2g2k n GLN 64 N -0.98 0.00 -4.04 0.00 7.27 -1.26 -2.88 117.38 115.49 2g2k n GLN 64 Ca -0.04 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.93 2g2k n GLN 64 Cb 0.61 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.20 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2g2k s THR 65 N 2.91 0.00 -0.06 1.69 -4.23 -1.26 -3.27 115.64 111.41 2g2k s THR 65 Ca 0.00 -1.54 -0.05 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 71.58 2g2k s THR 65 CO 0.00 0.00 0.16 -1.10 -0.54 0.00 0.00 174.62 173.14 2g2k s GLN 66 N -4.02 0.18 0.03 3.99 1.11 0.50 -4.76 119.66 116.69 2g2k s GLN 66 Ca 0.26 0.24 0.06 0.00 0.01 0.00 0.00 55.36 55.93 2g2k s GLN 66 Cb 0.01 0.08 -0.02 0.00 -1.01 0.00 0.00 33.01 32.06 2g2k s GLN 66 CO 0.10 -0.03 -0.18 -0.06 0.01 0.00 0.00 175.29 175.13 2g2k s PHE 67 N 0.16 1.56 -0.18 0.91 0.08 -1.26 -0.87 117.98 118.38 2g2k s PHE 67 Ca -0.01 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.71 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 0.04 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.51 2g2k s ASP 68 N -0.95 3.16 -0.07 1.36 1.11 -0.29 -4.97 116.67 116.02 2g2k s ASP 68 Ca 0.06 -0.73 -0.03 0.00 0.18 0.00 0.00 52.55 52.02 2g2k s ASP 68 Cb -0.08 -1.30 -0.01 0.00 1.07 0.00 0.00 42.92 42.60 2g2k s ASP 68 CO 0.01 -0.08 -0.06 0.58 1.18 0.00 0.00 175.17 176.79 2g2k h VAL 69 N 6.19 0.00 0.00 -1.27 2.07 -1.94 1.10 116.25 122.40 2g2k h VAL 69 Ca -0.35 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2g2k h VAL 69 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2g2k h VAL 69 CO 0.53 0.00 0.19 0.50 0.02 0.00 0.00 177.57 178.81 2g2k h LYS 70 N -0.57 0.00 0.00 1.57 3.11 -1.99 -0.45 116.57 118.24 2g2k h LYS 70 Ca 0.00 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.54 2g2k h LYS 70 Cb 0.18 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.36 2g2k h LYS 70 CO 0.00 0.00 -2.13 0.09 -2.81 0.00 0.00 179.45 174.60 2g2k n ASN 71 N -2.57 1.18 -0.43 4.20 3.02 -1.25 -4.99 115.26 114.42 2g2k n ASN 71 Ca -0.02 -0.02 -0.06 0.00 -0.03 0.00 0.00 54.58 54.46 2g2k n ASN 71 Cb 0.23 0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 40.11 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2g2k n ASP 72 N -2.67 -4.12 -4.38 6.41 8.00 0.38 -4.99 116.55 115.17 2g2k n ASP 72 Ca -0.28 0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.03 2g2k n ASP 72 Cb 1.01 -2.11 -0.14 0.00 -0.02 0.00 0.00 41.12 39.86 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2g2k s ARG 73 N -2.06 3.42 -0.07 -1.24 6.06 -1.03 -4.90 118.95 119.12 2g2k s ARG 73 Ca 0.00 -0.66 0.02 0.00 -2.50 0.00 0.00 55.73 52.59 2g2k s ARG 73 Cb 0.00 -2.68 -0.02 0.00 0.06 0.00 0.00 34.95 32.31 2g2k s ARG 73 CO 0.00 0.20 -0.13 0.71 -2.50 0.00 0.00 175.30 173.58 2g2k s TYR 74 N 0.40 2.77 0.06 5.12 2.02 -1.26 -1.14 117.35 125.32 2g2k s TYR 74 Ca -0.09 -0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2g2k s TYR 74 Cb -0.16 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2g2k s TYR 74 CO 0.05 0.12 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.53 2g2k s ILE 75 N -0.50 0.98 -0.07 2.71 2.07 -0.05 -2.25 121.20 124.11 2g2k s ILE 75 Ca 0.07 -1.15 0.03 0.00 -1.41 0.00 0.00 60.65 58.19 2g2k s ILE 75 Cb -0.12 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 2g2k s ILE 75 CO 0.02 -0.18 -0.14 0.68 -1.91 0.00 0.00 174.94 173.40 2g2k s VAL 76 N -1.14 3.05 0.45 4.00 -7.23 0.39 0.19 120.40 120.11 2g2k s VAL 76 Ca -0.02 -0.72 -0.25 0.00 -1.81 0.00 0.00 61.98 59.18 2g2k s VAL 76 Cb -0.09 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 2g2k s VAL 76 CO 0.02 0.58 1.38 0.59 -0.31 0.00 0.00 175.10 177.36 2g2k n ASN 77 N 2.57 3.05 0.00 4.85 3.02 -1.20 0.19 115.26 127.74 2g2k n ASN 77 Ca -0.17 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 2g2k n ASN 77 Cb 0.52 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 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 0.66 0.46 3.43 7.41 0.00 -0.41 -4.51 105.19 112.22 2g2k n GLY 78 Ca 0.06 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.95 4.97 0.17 1.61 1.04 -1.18 0.13 113.70 119.48 2g2k s SER 79 Ca 0.00 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 2g2k s SER 79 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 2g2k s SER 79 CO 0.00 -0.01 0.15 -1.38 0.98 0.00 0.00 173.24 172.98 2g2k s HIS 80 N 1.45 0.84 0.21 5.02 -3.43 -1.26 -4.96 115.29 113.16 2g2k s HIS 80 Ca 0.05 -1.16 0.05 0.00 -0.80 0.00 0.00 55.06 53.20 2g2k s HIS 80 Cb -0.15 -0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 30.59 2g2k s HIS 80 CO 0.02 -0.63 0.30 -1.21 -2.00 0.00 0.00 174.74 171.22 2g2k s GLU 81 N -4.07 3.33 0.23 -0.38 2.02 -1.26 -4.62 118.70 113.94 2g2k s GLU 81 Ca 0.28 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.44 2g2k s GLU 81 Cb 0.06 -2.85 0.39 0.00 0.10 0.00 0.00 34.13 31.83 2g2k s GLU 81 CO 0.05 0.46 1.75 0.00 0.02 0.00 0.00 175.26 177.54 2g2k h ALA 82 N 1.59 0.98 -0.33 5.21 0.00 -1.83 0.13 119.26 125.01 2g2k h ALA 82 Ca -0.50 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2g2k h ALA 82 Cb 1.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2g2k h ALA 82 CO 0.63 -0.16 -0.11 -0.91 0.00 0.00 0.00 179.25 178.71 2g2k h ASN 83 N 0.48 0.54 -0.76 0.00 2.35 -1.94 -2.69 115.58 113.56 2g2k h ASN 83 Ca 0.37 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 2g2k h ASN 83 Cb 0.50 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 2g2k h ASN 83 CO -0.35 0.68 0.50 0.50 -1.65 0.00 0.00 177.43 177.12 2g2k h LYS 84 N 0.51 0.95 -0.45 0.81 1.63 -1.14 -0.80 116.57 118.08 2g2k h LYS 84 Ca 0.09 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2g2k h LYS 84 Cb 0.50 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2g2k h LYS 84 CO 0.03 0.63 0.24 -0.07 -3.45 0.00 0.00 179.45 176.83 2g2k h LEU 85 N 0.98 0.57 -0.19 5.20 4.07 -1.06 0.22 115.31 125.10 2g2k h LEU 85 Ca 0.29 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 2g2k h LEU 85 Cb -0.04 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 2g2k h LEU 85 CO -0.07 0.51 -0.14 -0.61 -1.08 0.00 0.00 178.44 177.04 2g2k h GLN 86 N 0.59 0.44 -0.43 1.13 5.75 -1.45 -3.08 115.11 118.06 2g2k h GLN 86 Ca 0.16 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 2g2k h GLN 86 Cb 0.07 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2g2k h GLN 86 CO -0.02 0.76 0.01 -0.44 -2.65 0.00 0.00 178.83 176.49 2g2k h ASP 87 N 0.12 0.66 -0.14 -0.69 5.19 -1.02 -2.99 116.42 117.54 2g2k h ASP 87 Ca 0.04 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2g2k h ASP 87 Cb 0.66 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 2g2k h ASP 87 CO 0.04 0.72 0.00 -0.03 -3.12 0.00 0.00 179.24 176.85 2g2k h MET 88 N 0.66 0.05 -0.63 3.56 4.05 -0.52 0.31 114.93 122.40 2g2k h MET 88 Ca 0.13 -0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.73 2g2k h MET 88 Cb 0.40 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 2g2k h MET 88 CO 0.01 0.03 0.45 1.25 0.23 0.00 0.00 176.91 178.89 2g2k h LEU 89 N 0.05 0.01 -1.09 3.39 6.46 -1.44 0.49 115.31 123.18 2g2k h LEU 89 Ca 0.06 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 2g2k h LEU 89 Cb 0.08 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2g2k h LEU 89 CO -0.11 0.00 0.06 -0.78 -0.62 0.00 0.00 178.44 176.99 2g2k h ASP 90 N 0.01 0.66 -0.17 1.25 3.58 -0.27 -2.69 116.42 118.79 2g2k h ASP 90 Ca 0.30 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2g2k h ASP 90 Cb 1.19 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2g2k h ASP 90 CO -0.01 0.69 0.09 1.23 -2.88 0.00 0.00 179.24 178.36 2g2k h GLY 91 N 0.92 0.25 0.61 -0.78 0.00 0.56 0.44 103.07 105.07 2g2k h GLY 91 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.39 2g2k h GLY 91 CO 0.01 0.11 -0.06 -2.75 0.00 0.00 0.00 176.54 173.84 2g2k h PHE 92 N 0.16 -0.15 0.01 5.60 3.57 -1.42 0.32 116.94 125.03 2g2k h PHE 92 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2g2k h PHE 92 Cb 0.08 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2g2k h PHE 92 CO -0.04 -0.10 -0.00 0.82 -2.23 0.00 0.00 178.31 176.75 2g2k h ILE 93 N -0.04 1.20 -0.02 1.41 1.08 -1.27 -2.80 117.51 117.06 2g2k h ILE 93 Ca 0.09 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2g2k h ILE 93 Cb 0.17 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2g2k h ILE 93 CO -0.19 0.16 0.02 0.11 -0.69 0.00 0.00 178.15 177.55 2g2k h LYS 94 N -0.28 0.00 -0.72 2.37 6.56 0.13 0.20 116.57 124.83 2g2k h LYS 94 Ca -0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2g2k h LYS 94 Cb 0.27 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.89 2g2k h LYS 94 CO 0.00 0.00 0.44 0.87 -2.06 0.00 0.00 179.45 178.70 2g2k h LYS 95 N 0.00 0.97 0.00 3.15 1.79 -0.08 -2.87 116.57 119.53 2g2k h LYS 95 Ca 0.01 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2g2k h LYS 95 Cb 0.05 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 2g2k h LYS 95 CO -0.00 0.68 -1.09 1.97 -1.08 0.00 0.00 179.45 179.93 2g2k n PHE 96 N -4.40 0.00 1.64 -1.35 1.16 -0.95 -4.53 117.46 109.03 2g2k n PHE 96 Ca 0.08 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.80 2g2k n PHE 96 Cb 0.06 -0.10 0.69 0.00 -1.61 0.00 0.00 39.48 38.52 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 -1.60 0.00 -1.50 1.97 0.24 0.66 -4.64 118.33 113.46 2g2k n VAL 97 Ca -0.01 -0.11 -0.39 0.00 -2.04 0.00 0.00 64.34 61.79 2g2k n VAL 97 Cb 0.12 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.34 2g2k n VAL 97 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2g2k n LEU 98 N -0.54 0.13 -4.78 1.34 7.94 -1.08 -4.79 117.00 115.22 2g2k n LEU 98 Ca 0.19 0.09 -0.39 0.00 -1.11 0.00 0.00 56.01 54.79 2g2k n LEU 98 Cb 0.25 -0.89 -0.06 0.00 0.53 0.00 0.00 43.42 43.25 2g2k n LEU 98 CO 0.19 -0.82 0.46 0.00 -1.11 0.00 0.00 177.39 176.11 2g2k n PRO 100 N 1.63 1.45 0.00 0.00 -0.04 -1.26 -2.36 135.00 134.41 2g2k n PRO 100 Ca -0.06 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2g2k n PRO 100 Cb 0.49 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.74 0.00 -2.70 0.54 2.13 -1.26 -5.00 120.64 117.08 2g2k n GLU 101 Ca 0.31 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.08 2g2k n GLU 101 Cb 0.60 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.40 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2g2k h GLU 103 N 2.22 0.09 0.02 0.00 4.22 -1.77 -3.17 114.58 116.19 2g2k h GLU 103 Ca -0.23 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.19 2g2k h GLU 103 Cb 1.26 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2g2k h GLU 103 CO 0.12 0.43 -0.50 -0.91 -2.18 0.00 0.00 179.01 175.97 2g2k h ASN 104 N 0.08 -1.54 -4.09 1.04 2.35 -1.91 -3.41 115.58 108.10 2g2k h ASN 104 Ca 0.01 0.17 -0.50 0.00 -0.55 0.00 0.00 56.30 55.44 2g2k h ASN 104 Cb 0.65 0.58 0.06 0.00 0.05 0.00 0.00 38.32 39.67 2g2k h ASN 104 CO 0.05 -0.51 0.42 -2.16 -1.65 0.00 0.00 177.43 173.58 2g2k s PRO 105 N -5.80 3.43 0.06 0.81 0.04 -1.20 -4.96 135.00 127.39 2g2k s PRO 105 Ca -0.16 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 2g2k s PRO 105 Cb 0.07 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2g2k s PRO 105 CO 0.62 -0.77 1.44 -2.00 0.04 0.00 0.00 177.00 176.32 2g2k s GLU 106 N -3.30 4.29 0.35 4.56 2.12 -1.26 -4.96 118.70 120.50 2g2k s GLU 106 Ca 0.71 2.07 0.08 0.00 0.36 0.00 0.00 54.97 58.20 2g2k s GLU 106 Cb -0.22 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2g2k s GLU 106 CO 0.26 -0.54 0.20 0.95 -0.54 0.00 0.00 175.26 175.59 2g2k s THR 107 N 1.82 3.04 0.05 -1.70 -4.23 -1.26 -4.59 115.64 108.77 2g2k s THR 107 Ca 0.66 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 2g2k s THR 107 Cb -0.35 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2g2k s THR 107 CO 0.29 -0.15 -0.13 1.51 -0.54 0.00 0.00 174.62 175.60 2g2k s ASP 108 N -3.91 4.16 -0.22 3.99 1.47 -0.71 -4.96 116.67 116.49 2g2k s ASP 108 Ca 0.40 -0.36 -0.06 0.00 1.18 0.00 0.00 52.55 53.71 2g2k s ASP 108 Cb -0.03 -0.78 -0.02 0.00 -0.34 0.00 0.00 42.92 41.75 2g2k s ASP 108 CO 0.24 0.24 0.03 -1.48 0.68 0.00 0.00 175.17 174.87 2g2k s LEU 109 N -1.69 3.31 -0.24 2.11 0.05 -1.26 -1.15 118.68 119.81 2g2k s LEU 109 Ca 0.17 -0.21 -0.06 0.00 0.05 0.00 0.00 54.13 54.08 2g2k s LEU 109 Cb -0.11 -1.86 -0.02 0.00 -2.05 0.00 0.00 46.19 42.16 2g2k s LEU 109 CO 0.08 0.02 0.01 -1.00 -0.55 0.00 0.00 176.35 174.92 2g2k s HIS 110 N 1.27 3.03 -0.22 3.48 3.76 -0.15 -4.88 115.29 121.57 2g2k s HIS 110 Ca 0.04 -0.73 -0.14 0.00 -0.15 0.00 0.00 55.06 54.09 2g2k s HIS 110 Cb -0.15 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2g2k s HIS 110 CO 0.02 -0.47 0.30 0.14 -0.85 0.00 0.00 174.74 173.87 2g2k s VAL 111 N 1.54 5.27 -0.23 -0.90 -7.23 -1.26 0.70 120.40 118.28 2g2k s VAL 111 Ca 0.06 0.48 -0.14 0.00 -1.81 0.00 0.00 61.98 60.57 2g2k s VAL 111 Cb -0.15 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 2g2k s VAL 111 CO 0.00 0.29 0.32 0.20 -0.31 0.00 0.00 175.10 175.60 2g2k s ASN 112 N 1.06 6.29 0.16 4.85 0.02 -0.44 -4.96 114.94 121.93 2g2k s ASN 112 Ca 0.14 0.34 -0.04 0.00 -1.02 0.00 0.00 52.86 52.28 2g2k s ASN 112 Cb -0.14 -2.19 0.02 0.00 0.02 0.00 0.00 41.25 38.96 2g2k s ASN 112 CO 0.06 -0.07 1.42 1.55 0.02 0.00 0.00 177.10 180.08 2g2k h PRO 113 N 7.65 0.51 -0.49 -0.60 0.13 -1.95 0.81 132.00 138.06 2g2k h PRO 113 Ca -0.35 -0.41 0.01 0.00 -0.87 0.00 0.00 66.00 64.39 2g2k h PRO 113 Cb 1.16 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2g2k h PRO 113 CO 0.68 1.03 0.33 1.57 -0.23 0.00 0.00 178.00 181.38 2g2k h LYS 114 N 0.36 0.61 -0.01 0.86 5.09 -1.98 -2.67 116.57 118.84 2g2k h LYS 114 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.67 2g2k h LYS 114 Cb 1.30 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.49 2g2k h LYS 114 CO 0.13 0.41 -0.18 0.36 -2.09 0.00 0.00 179.45 178.08 2g2k n LYS 115 N -4.47 1.81 -3.66 0.07 2.85 -1.19 -4.99 118.16 108.59 2g2k n LYS 115 Ca 0.05 -0.70 -0.28 0.00 -1.05 0.00 0.00 58.31 56.33 2g2k n LYS 115 Cb 0.08 -1.11 0.01 0.00 -0.65 0.00 0.00 35.03 33.36 2g2k n LYS 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2g2k n GLN 116 N -0.11 -4.50 -4.47 -1.58 -0.00 0.28 -4.96 117.38 102.05 2g2k n GLN 116 Ca 0.05 0.57 -0.23 0.00 -0.00 0.00 0.00 57.00 57.38 2g2k n GLN 116 Cb 0.23 -5.38 -0.10 0.00 -0.00 0.00 0.00 30.24 24.98 2g2k n GLN 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2g2k s THR 117 N -3.16 2.19 -0.15 -0.39 2.01 -0.97 -4.95 115.64 110.23 2g2k s THR 117 Ca 0.55 -2.28 -0.07 0.00 0.31 0.00 0.00 61.69 60.19 2g2k s THR 117 Cb -0.28 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2g2k s THR 117 CO 0.68 -0.36 0.11 -0.63 -0.69 0.00 0.00 174.62 173.73 2g2k s ILE 118 N -2.68 5.26 0.32 1.82 -1.09 -1.26 -1.32 121.20 122.26 2g2k s ILE 118 Ca 0.29 0.13 0.09 0.00 -2.23 0.00 0.00 60.65 58.93 2g2k s ILE 118 Cb -0.01 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 2g2k s ILE 118 CO 0.14 0.55 0.01 -0.83 -1.23 0.00 0.00 174.94 173.58 2g2k s GLY 119 N -0.43 1.97 -0.06 6.18 0.00 0.22 -3.03 107.32 112.17 2g2k s GLY 119 Ca 0.11 -1.89 -0.03 0.00 0.00 0.00 0.00 44.72 42.92 2g2k s GLY 119 CO 0.02 -1.86 0.11 0.21 0.00 0.00 0.00 173.10 171.58 2g2k s ASN 120 N -3.71 0.76 -0.10 1.64 3.84 -0.76 -0.98 114.94 115.62 2g2k s ASN 120 Ca 0.34 0.21 0.02 0.00 0.21 0.00 0.00 52.86 53.65 2g2k s ASN 120 Cb -0.02 0.08 0.01 0.00 -0.55 0.00 0.00 41.25 40.78 2g2k s ASN 120 CO 0.20 -0.23 -0.17 -0.55 -2.79 0.00 0.00 177.10 173.56 2g2k s SER 121 N 2.04 2.49 -0.35 -4.21 0.15 -0.30 0.12 113.70 113.65 2g2k s SER 121 Ca 0.02 -0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 2g2k s SER 121 Cb -0.12 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 2g2k s SER 121 CO -0.05 0.05 0.18 0.00 1.20 0.00 0.00 173.24 174.62 2g2k n LYS 123 N 4.98 0.08 -0.17 0.00 4.81 -1.26 0.44 118.16 127.03 2g2k n LYS 123 Ca -0.13 0.57 -0.08 0.00 -0.87 0.00 0.00 58.31 57.81 2g2k n LYS 123 Cb 0.47 -1.76 0.01 0.00 0.02 0.00 0.00 35.03 33.77 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 2.01 0.65 0.00 3.14 0.00 -1.91 -3.36 119.26 119.78 2g2k h ALA 124 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2g2k h ALA 124 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2g2k h ALA 124 CO 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 2g2k n GLY 126 N 0.70 0.83 0.00 0.00 0.00 0.17 -4.96 105.19 101.93 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 -1.89 0.00 -2.67 1.61 4.19 -1.22 -4.53 117.16 112.63 2g2k n TYR 127 Ca 0.00 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.19 2g2k n TYR 127 Cb 0.00 -0.17 0.00 0.00 0.49 0.00 0.00 39.34 39.67 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 -1.75 -0.27 0.00 2.98 0.63 -1.22 -4.84 116.66 112.19 2g2k n ARG 128 Ca 0.00 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 2g2k n ARG 128 Cb 0.00 -0.82 0.00 0.00 0.45 0.00 0.00 32.46 32.09 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 1.07 1.95 3.39 5.14 0.00 0.33 -4.89 105.19 112.19 2g2k n GLY 129 Ca -0.00 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2g2k n GLY 129 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2g2k s MET 130 N 2.23 1.41 -0.11 1.61 1.75 -1.26 -1.83 119.30 123.11 2g2k s MET 130 Ca 0.00 -1.40 -0.05 0.00 -1.25 0.00 0.00 55.69 52.99 2g2k s MET 130 Cb 0.00 -1.81 -0.04 0.00 2.84 0.00 0.00 34.83 35.82 2g2k s MET 130 CO 0.00 0.41 0.08 -1.17 -0.65 0.00 0.00 175.02 173.69 2g2k s LEU 131 N -2.30 4.02 0.00 4.11 0.20 -1.17 -4.01 118.68 119.54 2g2k s LEU 131 Ca 0.16 0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.29 2g2k s LEU 131 Cb -0.09 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 2g2k s LEU 131 CO 0.07 0.39 0.00 -0.90 -0.29 0.00 0.00 176.35 175.62 2g2k n ASP 132 N 2.12 0.00 0.03 3.68 5.68 -1.26 -4.80 116.55 122.00 2g2k n ASP 132 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 2g2k n ASP 132 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2g2k n THR 133 N 0.00 0.25 -4.56 2.12 -1.04 -1.26 -4.89 114.28 104.90 2g2k n THR 133 Ca 0.00 0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.77 2g2k n THR 133 Cb 0.00 -0.77 -0.11 0.00 -1.82 0.00 0.00 70.33 67.63 2g2k n THR 133 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2g2k s HIS 134 N -1.36 2.83 0.00 -1.42 3.76 -1.26 -5.01 115.29 112.83 2g2k s HIS 134 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2g2k s HIS 134 Cb 0.00 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.08 2g2k s HIS 134 CO 0.00 0.33 0.00 0.72 -0.85 0.00 0.00 174.74 174.94 2g2k n HIS 135 N 1.74 0.00 -3.51 1.40 8.25 -1.26 -3.86 115.22 117.98 2g2k n HIS 135 Ca -0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.02 2g2k n HIS 135 Cb 0.52 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.53 2g2k n HIS 135 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2g2k s LYS 136 N 0.00 1.18 0.25 -0.41 1.02 -1.26 -4.93 119.74 115.59 2g2k s LYS 136 Ca 0.00 -2.25 0.17 0.00 0.02 0.00 0.00 55.97 53.90 2g2k s LYS 136 Cb 0.00 -1.83 0.05 0.00 -0.52 0.00 0.00 37.83 35.53 2g2k s LYS 136 CO 0.00 -1.34 1.32 1.37 -0.92 0.00 0.00 175.35 175.78 2g2k h LEU 137 N 5.80 0.00 -0.81 3.17 8.10 -1.96 -3.31 115.31 126.30 2g2k h LEU 137 Ca 0.21 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.16 2g2k h LEU 137 Cb 0.89 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.07 2g2k h LEU 137 CO 0.43 0.44 0.37 0.00 -4.11 0.00 0.00 178.44 175.57 2g2k h THR 139 N 1.16 1.25 -0.17 0.00 2.02 -1.97 0.43 112.91 115.64 2g2k h THR 139 Ca 0.28 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.57 2g2k h THR 139 Cb 0.15 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2g2k h THR 139 CO -0.03 0.34 0.07 -0.26 0.37 0.00 0.00 175.52 176.01 2g2k h PHE 140 N 0.89 0.14 -0.33 3.16 0.04 -1.60 -1.21 116.94 118.03 2g2k h PHE 140 Ca 0.19 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.85 2g2k h PHE 140 Cb 0.34 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2g2k h PHE 140 CO 0.02 0.08 -0.27 -0.84 -0.60 0.00 0.00 178.31 176.70 2g2k h ILE 141 N 0.17 1.29 -0.71 -0.55 3.07 -1.30 -2.85 117.51 116.63 2g2k h ILE 141 Ca 0.07 -1.42 0.18 0.00 1.55 0.00 0.00 64.86 65.24 2g2k h ILE 141 Cb 0.02 1.47 -0.04 0.00 -0.27 0.00 0.00 36.82 38.01 2g2k h ILE 141 CO -0.06 0.46 0.49 0.25 -1.05 0.00 0.00 178.15 178.25 2g2k h LEU 142 N 0.54 0.15 -0.58 0.16 5.85 0.22 0.40 115.31 122.06 2g2k h LEU 142 Ca 0.06 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2g2k h LEU 142 Cb 0.83 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2g2k h LEU 142 CO 0.07 0.07 -0.47 0.11 -0.34 0.00 0.00 178.44 177.88 2g2k h LYS 143 N 0.16 0.60 -3.84 1.25 1.57 -0.98 -3.50 116.57 111.83 2g2k h LYS 143 Ca 0.34 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2g2k h LYS 143 Cb 1.13 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2g2k h LYS 143 CO -0.05 0.94 -0.95 0.09 -0.57 0.00 0.00 179.45 178.90 2g2k n ASN 144 N -4.00 -8.86 -4.60 0.86 5.03 0.13 -4.68 115.26 99.13 2g2k n ASN 144 Ca -0.02 1.37 -0.43 0.00 0.87 0.00 0.00 54.58 56.36 2g2k n ASN 144 Cb 0.56 -5.05 -0.02 0.00 -1.02 0.00 0.00 39.78 34.25 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 -3.91 3.54 0.06 3.52 0.04 -1.26 -4.88 135.00 132.10 2g2k s PRO 145 Ca 0.00 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 2g2k s PRO 145 Cb 0.00 -4.07 -0.18 0.00 0.04 0.00 0.00 34.50 30.30 2g2k s PRO 145 CO 0.00 -1.61 1.24 -1.00 0.04 0.00 0.00 177.00 175.67 2g2k h PRO 146 N 11.22 0.58 0.00 0.56 0.13 -2.03 -3.46 132.00 139.01 2g2k h PRO 146 Ca -0.29 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2g2k h PRO 146 Cb 1.12 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2g2k h PRO 146 CO 1.06 1.10 0.00 0.39 -0.23 0.00 0.00 178.00 180.32 2g2k n GLU 147 N -4.17 0.00 -3.68 0.86 1.02 -1.26 -4.23 120.64 109.18 2g2k n GLU 147 Ca -0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.91 2g2k n GLU 147 Cb 0.63 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.91 2g2k n GLU 147 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2g2k s ASN 148 N -4.00 0.43 -1.45 1.62 -0.87 -1.26 -5.06 114.94 104.35 2g2k s ASN 148 Ca 0.00 0.43 -0.14 0.00 -1.57 0.00 0.00 52.86 51.59 2g2k s ASN 148 Cb 0.00 0.42 0.05 0.00 -0.02 0.00 0.00 41.25 41.70 2g2k s ASN 148 CO 0.00 -0.22 2.20 -1.20 -2.57 0.00 0.00 177.10 175.31 2g2k n SER 149 N 5.10 3.96 -3.03 -1.22 7.64 -1.26 -4.69 113.62 120.12 2g2k n SER 149 Ca -0.10 -2.86 -0.24 0.00 1.01 0.00 0.00 58.87 56.68 2g2k n SER 149 Cb 0.50 -1.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.01 2g2k n SER 149 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2g2k n ASP 150 N 5.99 3.38 -3.11 6.43 2.03 -1.26 -4.92 116.55 125.09 2g2k n ASP 150 Ca 0.51 -3.47 -0.28 0.00 0.52 0.00 0.00 54.79 52.07 2g2k n ASP 150 Cb 0.39 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 2g2k n ASP 150 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2g2k n SER 151 N -0.04 4.45 -2.58 1.67 7.64 -1.26 -4.96 113.62 118.54 2g2k n SER 151 Ca 0.29 -3.62 -0.03 0.00 1.01 0.00 0.00 58.87 56.52 2g2k n SER 151 Cb 0.47 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2g2k n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g2k n GLY 152 N 0.07 -4.75 0.15 0.23 0.00 -1.26 -4.87 105.19 94.76 2g2k n GLY 152 Ca 0.31 1.11 -0.10 0.00 0.00 0.00 0.00 46.02 47.34 2g2k n GLY 152 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2g2k h THR 153 N 3.39 0.71 0.00 2.61 1.35 -1.93 -3.47 112.91 115.58 2g2k h THR 153 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2g2k h THR 153 Cb 0.65 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2g2k h THR 153 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2g2k n GLY 154 N -1.24 3.14 0.03 5.82 0.00 -1.26 -4.90 105.19 106.77 2g2k n GLY 154 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 2g2k n GLY 154 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2g2k h LYS 155 N 0.00 -0.06 0.00 1.61 1.63 -2.03 -3.57 116.57 114.15 2g2k h LYS 155 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2g2k h LYS 155 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2g2k h LYS 155 CO 0.00 -0.04 0.00 1.63 -3.45 0.00 0.00 179.45 177.59