#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8c s ASN 2 N 0.00 6.11 0.45 6.12 0.01 -1.26 -5.05 114.94 121.33 3m8c s ASN 2 Ca 0.00 2.39 -0.16 0.00 -0.71 0.00 0.00 52.86 54.38 3m8c s ASN 2 Cb 0.00 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.97 3m8c s ASN 2 CO 0.00 -0.96 0.91 0.42 -1.51 0.00 0.00 177.10 175.96 3m8c s THR 3 N -1.48 4.57 0.51 1.60 -4.23 -1.26 -4.64 115.64 110.71 3m8c s THR 3 Ca 0.63 1.14 0.16 0.00 -1.18 0.00 0.00 61.69 62.43 3m8c s THR 3 Cb -0.31 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.11 3m8c s THR 3 CO 0.38 -0.51 2.14 1.55 -0.54 0.00 0.00 174.62 177.63 3m8c h PRO 4 N 1.37 0.01 -0.47 3.99 0.13 -1.97 -2.54 132.00 132.52 3m8c h PRO 4 Ca -0.47 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3m8c h PRO 4 Cb 1.18 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3m8c h PRO 4 CO 0.62 0.02 0.10 0.93 -0.23 0.00 0.00 178.00 179.45 3m8c h GLU 5 N 0.01 0.77 -0.46 0.86 3.07 -1.96 -0.25 114.58 116.62 3m8c h GLU 5 Ca 0.00 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 3m8c h GLU 5 Cb 0.02 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3m8c h GLU 5 CO 0.00 0.76 0.13 1.25 -1.40 0.00 0.00 179.01 179.76 3m8c h HIS 6 N 0.65 0.74 -0.76 4.33 -0.00 -1.88 -0.73 115.15 117.50 3m8c h HIS 6 Ca 0.15 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 3m8c h HIS 6 Cb 0.35 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3m8c h HIS 6 CO 0.02 0.67 0.34 0.52 -0.00 0.00 0.00 177.93 179.48 3m8c h MET 7 N 0.60 1.12 -0.47 5.26 2.86 -1.34 -1.10 114.93 121.86 3m8c h MET 7 Ca 0.15 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3m8c h MET 7 Cb 0.28 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3m8c h MET 7 CO -0.00 0.89 0.20 1.15 1.06 0.00 0.00 176.91 180.21 3m8c h THR 8 N 1.09 1.20 -0.80 2.22 2.02 -0.87 -1.57 112.91 116.20 3m8c h THR 8 Ca 0.26 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3m8c h THR 8 Cb 0.17 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3m8c h THR 8 CO -0.03 0.23 0.41 0.00 0.37 0.00 0.00 175.52 176.51 3m8c h ALA 9 N 1.04 1.21 -0.40 6.16 0.00 -0.78 -1.56 119.26 124.93 3m8c h ALA 9 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3m8c h ALA 9 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m8c h ALA 9 CO -0.01 0.62 0.16 0.28 0.00 0.00 0.00 179.25 180.29 3m8c h VAL 10 N 1.13 1.20 -0.48 0.00 2.07 -0.85 0.30 116.25 119.62 3m8c h VAL 10 Ca 0.28 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3m8c h VAL 10 Cb 0.07 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3m8c h VAL 10 CO -0.04 0.22 0.17 0.58 0.02 0.00 0.00 177.57 178.52 3m8c h VAL 11 N 0.50 0.83 -0.90 2.57 2.07 -0.93 0.33 116.25 120.73 3m8c h VAL 11 Ca 0.13 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3m8c h VAL 11 Cb 0.19 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3m8c h VAL 11 CO -0.01 0.06 0.59 1.56 0.02 0.00 0.00 177.57 179.79 3m8c h GLN 12 N 0.34 1.16 -0.53 1.57 4.20 -0.96 -0.76 115.11 120.13 3m8c h GLN 12 Ca 0.23 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 3m8c h GLN 12 Cb 0.25 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3m8c h GLN 12 CO -0.24 0.77 -0.07 0.00 -0.67 0.00 0.00 178.83 178.61 3m8c h ARG 13 N 1.20 0.95 0.35 1.46 3.08 -0.34 -1.24 114.38 119.84 3m8c h ARG 13 Ca 0.33 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3m8c h ARG 13 Cb -0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3m8c h ARG 13 CO -0.08 0.98 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.66 3m8c h TYR 14 N 0.86 -0.59 -0.63 3.04 3.20 0.23 -0.84 116.97 122.24 3m8c h TYR 14 Ca 0.14 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.08 3m8c h TYR 14 Cb 0.61 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 3m8c h TYR 14 CO 0.04 -0.35 0.31 0.28 -1.64 0.00 0.00 178.16 176.80 3m8c h VAL 15 N -0.56 0.89 -0.39 1.81 2.07 -1.09 -1.40 116.25 117.58 3m8c h VAL 15 Ca -0.04 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3m8c h VAL 15 Cb 0.47 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3m8c h VAL 15 CO 0.03 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.69 3m8c h ALA 16 N 1.37 0.53 -0.84 1.67 0.00 -1.12 -1.81 119.26 119.06 3m8c h ALA 16 Ca 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3m8c h ALA 16 Cb 0.26 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3m8c h ALA 16 CO -0.23 0.34 0.49 0.00 0.00 0.00 0.00 179.25 179.85 3m8c h ALA 17 N 0.87 1.29 -0.32 0.00 0.00 -0.91 -0.53 119.26 119.66 3m8c h ALA 17 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3m8c h ALA 17 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3m8c h ALA 17 CO 0.03 0.60 0.11 -0.07 0.00 0.00 0.00 179.25 179.92 3m8c h LEU 18 N 1.16 0.46 -0.94 0.00 3.38 -1.00 0.23 115.31 118.58 3m8c h LEU 18 Ca 0.30 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3m8c h LEU 18 Cb -0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3m8c h LEU 18 CO -0.05 0.52 0.62 0.78 0.09 0.00 0.00 178.44 180.40 3m8c h ASN 19 N 0.37 1.05 0.62 -0.43 2.35 -1.07 -2.27 115.58 116.19 3m8c h ASN 19 Ca 0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3m8c h ASN 19 Cb 0.22 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3m8c h ASN 19 CO -0.01 0.73 0.00 0.00 -1.65 0.00 0.00 177.43 176.51 3m8c n ALA 20 N -2.36 2.01 -2.14 -0.83 0.00 -0.23 -4.79 120.51 112.17 3m8c n ALA 20 Ca 0.12 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3m8c n ALA 20 Cb 0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 3m8c n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m8c n GLY 21 N 0.63 0.04 3.40 0.00 0.00 -0.74 -4.94 105.19 103.58 3m8c n GLY 21 Ca 0.07 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3m8c n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m8c s ASP 22 N -2.43 6.66 0.04 1.61 2.15 0.73 -4.88 116.67 120.55 3m8c s ASP 22 Ca 0.00 -2.28 -0.24 0.00 0.43 0.00 0.00 52.55 50.46 3m8c s ASP 22 Cb 0.00 -2.32 -0.17 0.00 -0.30 0.00 0.00 42.92 40.13 3m8c s ASP 22 CO 0.00 -0.87 1.54 0.25 -0.17 0.00 0.00 175.17 175.92 3m8c h LEU 23 N 9.32 0.02 -1.25 -1.34 5.85 -1.92 -2.06 115.31 123.91 3m8c h LEU 23 Ca 0.11 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.69 3m8c h LEU 23 Cb 1.03 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 3m8c h LEU 23 CO 0.96 0.22 0.54 0.44 -0.34 0.00 0.00 178.44 180.26 3m8c h ASP 24 N -0.19 0.79 -0.74 1.25 3.45 -1.98 -1.45 116.42 117.55 3m8c h ASP 24 Ca 0.00 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 3m8c h ASP 24 Cb 0.21 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3m8c h ASP 24 CO -0.00 0.51 0.29 1.23 -1.57 0.00 0.00 179.24 179.70 3m8c h GLY 25 N 0.90 1.21 0.62 2.75 0.00 -1.87 -0.20 103.07 106.47 3m8c h GLY 25 Ca 0.35 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3m8c h GLY 25 CO -0.13 0.62 -0.07 -2.22 0.00 0.00 0.00 176.54 174.74 3m8c h ILE 26 N 1.10 0.99 0.00 2.60 2.04 -0.81 -3.24 117.51 120.19 3m8c h ILE 26 Ca 0.25 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3m8c h ILE 26 Cb 0.22 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3m8c h ILE 26 CO -0.02 0.18 -0.29 0.58 0.00 0.00 0.00 178.15 178.60 3m8c h VAL 27 N -0.59 1.03 0.00 1.67 2.07 -1.09 -1.14 116.25 118.19 3m8c h VAL 27 Ca -0.02 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3m8c h VAL 27 Cb 0.45 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3m8c h VAL 27 CO 0.03 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.91 3m8c h ALA 28 N 1.71 1.00 0.00 1.67 0.00 -1.05 -2.61 119.26 119.98 3m8c h ALA 28 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m8c h ALA 28 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3m8c h ALA 28 CO 0.04 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 3m8c h LEU 29 N 0.00 0.00 -9.90 0.00 3.38 -1.28 -3.46 115.31 104.04 3m8c h LEU 29 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3m8c h LEU 29 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3m8c h LEU 29 CO 0.00 0.00 -0.21 -0.36 0.09 0.00 0.00 178.44 177.96 3m8c s PHE 30 N -3.16 3.51 0.77 1.13 0.40 -0.98 -0.56 117.98 119.09 3m8c s PHE 30 Ca 0.09 0.78 -0.11 0.00 -0.60 0.00 0.00 56.93 57.09 3m8c s PHE 30 Cb 0.09 -2.17 0.06 0.00 0.51 0.00 0.00 43.02 41.51 3m8c s PHE 30 CO 0.62 0.41 1.11 0.00 0.70 0.00 0.00 175.22 178.05 3m8c s ALA 31 N -1.61 2.19 0.19 5.36 0.00 0.65 -4.74 121.76 123.81 3m8c s ALA 31 Ca 0.40 0.39 0.30 0.00 0.00 0.00 0.00 51.96 53.05 3m8c s ALA 31 Cb -0.13 -3.31 1.30 0.00 0.00 0.00 0.00 23.12 20.98 3m8c s ALA 31 CO 0.21 -1.81 1.97 -0.44 0.00 0.00 0.00 175.76 175.69 3m8c h ASP 32 N -0.98 0.00 -0.63 0.00 3.32 -1.95 -2.24 116.42 113.94 3m8c h ASP 32 Ca -0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 3m8c h ASP 32 Cb 1.24 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 3m8c h ASP 32 CO 0.50 0.09 0.14 -0.90 -1.72 0.00 0.00 179.24 177.36 3m8c n ASP 33 N -3.27 5.02 -4.76 6.45 5.75 -1.26 -2.70 116.55 121.78 3m8c n ASP 33 Ca -0.00 -3.01 -0.31 0.00 -0.01 0.00 0.00 54.79 51.45 3m8c n ASP 33 Cb 0.32 -0.71 0.09 0.00 -1.03 0.00 0.00 41.12 39.80 3m8c n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m8c s ALA 34 N -2.74 2.22 0.06 2.12 0.00 -0.84 -4.59 121.76 117.99 3m8c s ALA 34 Ca 0.51 0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.85 3m8c s ALA 34 Cb 0.40 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 3m8c s ALA 34 CO 0.14 -1.81 -0.22 0.95 0.00 0.00 0.00 175.76 174.81 3m8c s THR 35 N -2.88 1.83 -0.09 0.00 -4.23 -0.71 -0.98 115.64 108.58 3m8c s THR 35 Ca 0.62 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.81 3m8c s THR 35 Cb -0.18 -1.60 -0.00 0.00 1.34 0.00 0.00 72.50 72.06 3m8c s THR 35 CO 0.56 0.17 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.88 3m8c s VAL 36 N -0.90 2.14 -0.25 2.29 1.01 0.24 -1.32 120.40 123.61 3m8c s VAL 36 Ca 0.09 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3m8c s VAL 36 Cb -0.09 -1.81 0.07 0.00 0.00 0.00 0.00 36.38 34.55 3m8c s VAL 36 CO 0.03 0.56 -0.03 -0.70 0.00 0.00 0.00 175.10 174.96 3m8c s GLU 37 N 0.17 1.54 -0.30 2.72 2.12 0.62 0.24 118.70 125.80 3m8c s GLU 37 Ca -0.13 -1.10 -0.02 0.00 0.36 0.00 0.00 54.97 54.08 3m8c s GLU 37 Cb -0.16 -2.61 0.19 0.00 0.26 0.00 0.00 34.13 31.81 3m8c s GLU 37 CO 0.07 -0.67 0.62 0.34 -0.54 0.00 0.00 175.26 175.08 3m8c s ASP 38 N 1.36 -1.34 0.65 -1.70 -1.08 -1.26 -1.37 116.67 111.92 3m8c s ASP 38 Ca -0.03 0.84 -0.15 0.00 -0.52 0.00 0.00 52.55 52.70 3m8c s ASP 38 Cb -0.19 2.13 -0.01 0.00 -1.46 0.00 0.00 42.92 43.40 3m8c s ASP 38 CO -0.08 -0.25 1.10 -2.16 0.52 0.00 0.00 175.17 174.30 3m8c s PRO 39 N 2.86 2.88 0.16 4.34 0.04 -1.26 -4.94 135.00 139.09 3m8c s PRO 39 Ca 0.20 1.34 -0.33 0.00 0.04 0.00 0.00 61.00 62.25 3m8c s PRO 39 Cb -0.15 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.27 3m8c s PRO 39 CO -0.21 -1.18 1.16 0.28 0.04 0.00 0.00 177.00 177.10 3m8c n VAL 40 N -2.39 0.84 0.00 -0.36 0.31 -0.94 -1.11 118.33 114.68 3m8c n VAL 40 Ca 0.10 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3m8c n VAL 40 Cb 0.52 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3m8c n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3m8c n GLY 41 N 2.03 3.04 2.60 2.92 0.00 -1.26 -5.02 105.19 109.50 3m8c n GLY 41 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3m8c n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m8c n SER 42 N 0.09 -1.76 -4.67 1.61 3.41 -0.26 -5.01 113.62 107.04 3m8c n SER 42 Ca 0.00 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 3m8c n SER 42 Cb 0.00 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.17 3m8c n SER 42 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3m8c s GLU 43 N -4.85 4.29 0.22 4.33 8.01 -1.26 -4.86 118.70 124.57 3m8c s GLU 43 Ca 0.53 1.14 -0.31 0.00 0.01 0.00 0.00 54.97 56.34 3m8c s GLU 43 Cb -0.05 -3.59 -0.10 0.00 -4.31 0.00 0.00 34.13 26.08 3m8c s GLU 43 CO 0.40 -0.42 1.49 -2.14 0.01 0.00 0.00 175.26 174.60 3m8c s PRO 44 N 2.46 4.24 -0.21 0.39 0.02 -1.26 -4.71 135.00 135.94 3m8c s PRO 44 Ca 0.40 2.33 -0.15 0.00 0.02 0.00 0.00 61.00 63.61 3m8c s PRO 44 Cb -0.16 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3m8c s PRO 44 CO 0.11 -0.50 0.34 1.03 -0.33 0.00 0.00 177.00 177.65 3m8c s ARG 45 N 0.22 4.16 -0.11 5.54 0.52 0.14 -4.88 118.95 124.54 3m8c s ARG 45 Ca 0.64 0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.98 3m8c s ARG 45 Cb -0.43 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.52 3m8c s ARG 45 CO 0.39 0.00 -0.23 0.45 0.02 0.00 0.00 175.30 175.93 3m8c s SER 46 N 1.00 3.18 0.00 0.23 0.15 -1.26 -0.59 113.70 116.41 3m8c s SER 46 Ca 0.17 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.27 3m8c s SER 46 Cb -0.14 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 3m8c s SER 46 CO 0.07 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.26 3m8c n GLY 47 N 3.64 0.92 0.27 9.45 0.00 -0.15 -4.37 105.19 114.95 3m8c n GLY 47 Ca -0.19 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.11 3m8c n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m8c h THR 48 N 0.00 0.77 -0.33 2.61 2.02 -1.80 -0.91 112.91 115.26 3m8c h THR 48 Ca 0.00 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3m8c h THR 48 Cb 0.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3m8c h THR 48 CO 0.00 0.10 0.11 0.00 0.37 0.00 0.00 175.52 176.09 3m8c h ALA 49 N 1.48 0.43 -0.19 6.16 0.00 -1.91 -0.26 119.26 124.96 3m8c h ALA 49 Ca 0.38 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3m8c h ALA 49 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3m8c h ALA 49 CO -0.32 0.07 -0.43 0.00 0.00 0.00 0.00 179.25 178.57 3m8c h ALA 50 N 0.94 0.90 0.00 0.00 0.00 -1.65 -1.88 119.26 117.58 3m8c h ALA 50 Ca 0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3m8c h ALA 50 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3m8c h ALA 50 CO -0.00 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.71 3m8c h ILE 51 N 0.38 1.20 -0.72 0.00 2.04 -1.08 -1.68 117.51 117.65 3m8c h ILE 51 Ca 0.03 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3m8c h ILE 51 Cb 0.91 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3m8c h ILE 51 CO 0.08 0.15 0.48 -0.09 0.00 0.00 0.00 178.15 178.77 3m8c h ARG 52 N -0.26 0.91 0.00 2.37 2.43 -0.93 -2.03 114.38 116.88 3m8c h ARG 52 Ca -0.00 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 3m8c h ARG 52 Cb 0.25 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3m8c h ARG 52 CO 0.00 0.60 -0.91 1.49 -1.51 0.00 0.00 179.97 179.65 3m8c h GLU 53 N 0.94 0.00 -0.43 0.20 4.57 -1.30 -0.11 114.58 118.46 3m8c h GLU 53 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 3m8c h GLU 53 Cb -0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3m8c h GLU 53 CO -0.07 0.91 0.28 0.35 -1.18 0.00 0.00 179.01 179.29 3m8c h PHE 54 N 0.00 0.54 -0.31 0.92 3.57 -0.90 0.18 116.94 120.95 3m8c h PHE 54 Ca -0.01 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3m8c h PHE 54 Cb 1.61 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 3m8c h PHE 54 CO 0.00 0.35 -0.23 1.88 -2.23 0.00 0.00 178.31 178.08 3m8c h TYR 55 N 0.57 0.82 -0.78 0.41 0.05 -1.35 -1.50 116.97 115.19 3m8c h TYR 55 Ca 0.16 -0.23 0.01 0.00 0.05 0.00 0.00 58.73 58.71 3m8c h TYR 55 Cb -0.05 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 3m8c h TYR 55 CO -0.04 0.96 0.51 0.00 -1.05 0.00 0.00 178.16 178.54 3m8c h ALA 56 N 0.73 1.43 -0.44 3.88 0.00 -0.82 0.12 119.26 124.16 3m8c h ALA 56 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3m8c h ALA 56 Cb 0.79 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3m8c h ALA 56 CO 0.06 0.53 0.20 -0.91 0.00 0.00 0.00 179.25 179.13 3m8c h ASN 57 N 1.06 0.58 -0.99 0.00 2.35 -0.76 -2.57 115.58 115.26 3m8c h ASN 57 Ca 0.29 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3m8c h ASN 57 Cb -0.11 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.06 3m8c h ASN 57 CO -0.06 0.56 0.64 0.28 -1.65 0.00 0.00 177.43 177.20 3m8c h SER 58 N 0.57 1.15 -0.02 5.81 0.02 -0.41 -2.47 113.55 118.18 3m8c h SER 58 Ca 0.15 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3m8c h SER 58 Cb 0.14 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3m8c h SER 58 CO -0.02 0.84 0.00 0.18 -1.14 0.00 0.00 176.83 176.69 3m8c n LEU 59 N -4.38 0.24 0.29 5.07 4.77 -0.05 -3.67 117.00 119.27 3m8c n LEU 59 Ca 0.12 -0.10 0.18 0.00 -0.03 0.00 0.00 56.01 56.17 3m8c n LEU 59 Cb 0.02 -0.02 0.97 0.00 -2.33 0.00 0.00 43.42 42.07 3m8c n LEU 59 CO 0.37 0.05 1.15 0.11 -1.33 0.00 0.00 177.39 177.74 3m8c h LYS 60 N 0.33 0.00 -6.71 3.23 1.57 -1.21 -3.41 116.57 110.37 3m8c h LYS 60 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3m8c h LYS 60 Cb 0.07 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.15 3m8c h LYS 60 CO 0.00 0.00 -0.85 -0.51 -0.57 0.00 0.00 179.45 177.52 3m8c s LEU 61 N -7.14 2.40 0.25 2.94 1.43 -1.24 -5.11 118.68 112.20 3m8c s LEU 61 Ca -0.05 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 3m8c s LEU 61 Cb 0.14 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.88 3m8c s LEU 61 CO 0.49 0.24 1.44 -2.84 0.23 0.00 0.00 176.35 175.91 3m8c s PRO 62 N -1.53 4.27 0.07 1.29 0.02 -1.26 -5.02 135.00 132.84 3m8c s PRO 62 Ca 0.14 2.29 0.07 0.00 0.02 0.00 0.00 61.00 63.52 3m8c s PRO 62 Cb -0.10 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3m8c s PRO 62 CO 0.05 -0.42 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.66 3m8c s LEU 63 N -0.35 2.88 -0.24 -5.54 1.43 -1.26 -4.51 118.68 111.09 3m8c s LEU 63 Ca 0.59 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3m8c s LEU 63 Cb -0.42 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.17 3m8c s LEU 63 CO 0.43 0.22 -0.10 0.00 0.23 0.00 0.00 176.35 177.13 3m8c s ALA 64 N -1.07 2.31 -0.08 4.21 0.00 -0.33 -4.48 121.76 122.31 3m8c s ALA 64 Ca 0.18 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.64 3m8c s ALA 64 Cb -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3m8c s ALA 64 CO 0.09 -1.08 -0.21 0.08 0.00 0.00 0.00 175.76 174.64 3m8c s VAL 65 N 1.24 1.82 -0.07 0.00 1.01 -1.26 -1.01 120.40 122.13 3m8c s VAL 65 Ca -0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3m8c s VAL 65 Cb -0.19 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3m8c s VAL 65 CO -0.06 0.51 0.18 -1.83 0.00 0.00 0.00 175.10 173.89 3m8c s GLU 66 N 0.29 0.18 0.37 2.72 -1.05 -0.37 -4.89 118.70 115.95 3m8c s GLU 66 Ca -0.14 0.30 -0.28 0.00 -0.15 0.00 0.00 54.97 54.71 3m8c s GLU 66 Cb -0.16 0.02 -0.10 0.00 -0.44 0.00 0.00 34.13 33.45 3m8c s GLU 66 CO 0.06 -0.07 1.35 -0.51 0.95 0.00 0.00 175.26 177.04 3m8c s LEU 67 N 0.45 4.32 0.00 1.83 1.43 -1.26 -1.68 118.68 123.77 3m8c s LEU 67 Ca -0.03 2.76 0.06 0.00 -1.03 0.00 0.00 54.13 55.89 3m8c s LEU 67 Cb -0.04 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.45 3m8c s LEU 67 CO -0.02 -0.73 0.57 0.35 0.23 0.00 0.00 176.35 176.74 3m8c n THR 68 N 0.47 0.00 -3.89 5.49 -2.24 -0.60 -4.92 114.28 108.59 3m8c n THR 68 Ca 0.02 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 3m8c n THR 68 Cb 0.42 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3m8c n THR 68 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3m8c s GLN 69 N -0.86 1.83 0.71 -0.78 -0.21 -1.25 -5.01 119.66 114.10 3m8c s GLN 69 Ca 0.06 -1.17 -0.16 0.00 0.02 0.00 0.00 55.36 54.11 3m8c s GLN 69 Cb 0.05 0.58 0.03 0.00 1.00 0.00 0.00 33.01 34.67 3m8c s GLN 69 CO 0.13 -0.83 1.23 -1.83 -2.12 0.00 0.00 175.29 171.87 3m8c s GLU 70 N -3.58 2.21 0.31 2.91 -1.05 -1.26 -4.71 118.70 113.53 3m8c s GLU 70 Ca 0.15 1.84 -0.28 0.00 -0.15 0.00 0.00 54.97 56.53 3m8c s GLU 70 Cb -0.04 -1.83 -0.09 0.00 -0.44 0.00 0.00 34.13 31.72 3m8c s GLU 70 CO 0.09 -1.80 1.01 0.08 0.95 0.00 0.00 175.26 175.59 3m8c s VAL 71 N -1.84 3.85 -0.12 1.83 1.01 -1.26 -4.72 120.40 119.15 3m8c s VAL 71 Ca 0.76 1.68 -0.05 0.00 0.00 0.00 0.00 61.98 64.37 3m8c s VAL 71 Cb -0.31 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3m8c s VAL 71 CO 0.44 0.26 0.08 -0.13 0.00 0.00 0.00 175.10 175.76 3m8c s ARG 72 N -1.76 3.36 -0.23 2.72 3.00 -0.30 -4.98 118.95 120.75 3m8c s ARG 72 Ca 0.48 -0.25 -0.12 0.00 0.00 0.00 0.00 55.73 55.84 3m8c s ARG 72 Cb -0.25 -3.06 0.08 0.00 0.00 0.00 0.00 34.95 31.72 3m8c s ARG 72 CO 0.32 0.69 0.55 0.00 0.00 0.00 0.00 175.30 176.85 3m8c s ALA 73 N -0.79 -1.51 -0.19 2.13 0.00 -1.26 -0.63 121.76 119.51 3m8c s ALA 73 Ca 0.13 1.98 -0.28 0.00 0.00 0.00 0.00 51.96 53.79 3m8c s ALA 73 Cb -0.12 -1.28 0.10 0.00 0.00 0.00 0.00 23.12 21.83 3m8c s ALA 73 CO 0.03 -0.46 0.89 0.54 0.00 0.00 0.00 175.76 176.77 3m8c s VAL 74 N 1.84 0.00 -1.46 0.00 0.11 0.05 -4.79 120.40 116.14 3m8c s VAL 74 Ca -0.08 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 3m8c s VAL 74 Cb -0.08 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 3m8c s VAL 74 CO -0.16 0.00 0.41 0.00 -3.33 0.00 0.00 175.10 172.01 3m8c n ALA 75 N 1.57 -1.92 -0.99 1.54 0.00 -1.26 -1.18 120.51 118.27 3m8c n ALA 75 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3m8c n ALA 75 Cb 0.57 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3m8c n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m8c n ASN 76 N -2.94 -3.15 -4.16 0.00 3.02 -1.26 -5.01 115.26 101.77 3m8c n ASN 76 Ca -0.27 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.09 3m8c n ASN 76 Cb 0.67 -0.96 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 3m8c n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3m8c s GLU 77 N -0.33 0.85 0.07 3.52 2.02 -0.32 -0.55 118.70 123.96 3m8c s GLU 77 Ca 0.00 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.16 3m8c s GLU 77 Cb 0.00 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.35 3m8c s GLU 77 CO 0.00 0.20 -0.10 0.00 0.02 0.00 0.00 175.26 175.38 3m8c s ALA 78 N -1.10 0.94 0.01 5.21 0.00 -0.68 -0.77 121.76 125.37 3m8c s ALA 78 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3m8c s ALA 78 Cb -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3m8c s ALA 78 CO 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 175.76 175.73 3m8c s ALA 79 N -1.96 0.35 -0.01 0.00 0.00 0.20 -0.60 121.76 119.73 3m8c s ALA 79 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 3m8c s ALA 79 Cb -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3m8c s ALA 79 CO 0.00 0.04 0.15 -0.59 0.00 0.00 0.00 175.76 175.36 3m8c s PHE 80 N -0.47 -0.02 -0.03 0.00 -0.71 -0.54 -1.16 117.98 115.05 3m8c s PHE 80 Ca -0.02 0.02 -0.01 0.00 -1.04 0.00 0.00 56.93 55.88 3m8c s PHE 80 Cb -0.04 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 3m8c s PHE 80 CO -0.00 -0.24 0.06 0.00 -1.34 0.00 0.00 175.22 173.70 3m8c s ALA 81 N -1.00 3.49 0.19 1.99 0.00 -1.26 -1.16 121.76 124.01 3m8c s ALA 81 Ca -0.11 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 3m8c s ALA 81 Cb -0.06 -1.55 0.06 0.00 0.00 0.00 0.00 23.12 21.57 3m8c s ALA 81 CO 0.01 0.65 0.94 -0.59 0.00 0.00 0.00 175.76 176.78 3m8c s PHE 82 N -1.09 -0.07 0.04 0.00 -0.71 -1.16 -1.56 117.98 113.43 3m8c s PHE 82 Ca 0.19 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 55.85 3m8c s PHE 82 Cb -0.12 0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 42.35 3m8c s PHE 82 CO 0.10 -0.95 -0.21 0.95 -1.34 0.00 0.00 175.22 173.76 3m8c s THR 83 N -3.00 1.72 -0.06 -4.49 -4.23 -0.68 -3.02 115.64 101.87 3m8c s THR 83 Ca 0.15 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 3m8c s THR 83 Cb -0.02 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.34 3m8c s THR 83 CO 0.04 0.26 -0.16 0.54 -0.54 0.00 0.00 174.62 174.76 3m8c s VAL 84 N -0.76 1.43 0.05 2.29 0.11 -0.20 -1.23 120.40 122.09 3m8c s VAL 84 Ca 0.08 -0.68 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 3m8c s VAL 84 Cb -0.09 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 3m8c s VAL 84 CO 0.01 0.42 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.57 3m8c s SER 85 N 0.36 2.31 0.25 3.54 0.01 -0.18 -0.97 113.70 119.02 3m8c s SER 85 Ca -0.11 -0.53 -0.19 0.00 1.31 0.00 0.00 55.95 56.43 3m8c s SER 85 Cb -0.15 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.93 3m8c s SER 85 CO 0.04 0.12 0.63 0.72 0.41 0.00 0.00 173.24 175.16 3m8c s PHE 86 N -0.86 -0.09 -0.09 2.43 -0.71 -0.63 -1.19 117.98 116.84 3m8c s PHE 86 Ca 0.06 -0.31 -0.05 0.00 -1.04 0.00 0.00 56.93 55.59 3m8c s PHE 86 Cb -0.09 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.30 3m8c s PHE 86 CO 0.02 -1.10 0.21 -2.00 -1.34 0.00 0.00 175.22 171.01 3m8c s GLU 87 N -3.92 0.18 -0.08 1.99 2.12 -1.26 -0.33 118.70 117.41 3m8c s GLU 87 Ca 0.12 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.86 3m8c s GLU 87 Cb -0.04 -0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.31 3m8c s GLU 87 CO 0.04 -0.13 0.05 -0.47 -0.54 0.00 0.00 175.26 174.21 3m8c s TYR 88 N 0.96 0.31 -1.30 5.30 5.04 -0.04 -4.87 117.35 122.76 3m8c s TYR 88 Ca -0.07 -0.02 -0.04 0.00 -2.44 0.00 0.00 57.07 54.50 3m8c s TYR 88 Cb -0.09 -0.64 0.01 0.00 0.35 0.00 0.00 41.96 41.60 3m8c s TYR 88 CO -0.06 -0.31 1.00 1.04 -1.34 0.00 0.00 175.55 175.89 3m8c n GLN 89 N 5.24 -6.65 -0.67 4.97 1.13 -1.26 -1.91 117.38 118.23 3m8c n GLN 89 Ca -0.05 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 3m8c n GLN 89 Cb 0.50 -5.73 0.00 0.00 0.11 0.00 0.00 30.24 25.12 3m8c n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3m8c n GLY 90 N -1.52 0.30 3.63 1.08 0.00 -1.26 -4.98 105.19 102.44 3m8c n GLY 90 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3m8c n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m8c s ARG 91 N -0.73 4.09 -0.18 1.61 3.52 -0.80 -5.02 118.95 121.44 3m8c s ARG 91 Ca 0.00 0.22 -0.08 0.00 -0.13 0.00 0.00 55.73 55.74 3m8c s ARG 91 Cb 0.00 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 3m8c s ARG 91 CO 0.00 -0.25 0.11 0.15 -0.81 0.00 0.00 175.30 174.50 3m8c s LYS 92 N 1.97 3.94 -0.05 5.12 1.02 -1.08 -0.86 119.74 129.80 3m8c s LYS 92 Ca 0.19 -0.24 0.04 0.00 0.02 0.00 0.00 55.97 55.98 3m8c s LYS 92 Cb -0.15 -3.30 -0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3m8c s LYS 92 CO 0.09 0.40 -0.19 0.99 -0.92 0.00 0.00 175.35 175.73 3m8c s THR 93 N 0.04 1.57 -0.06 2.17 2.01 0.55 -1.06 115.64 120.86 3m8c s THR 93 Ca 0.08 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.36 3m8c s THR 93 Cb -0.12 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3m8c s THR 93 CO -0.00 0.45 -0.25 0.68 -0.69 0.00 0.00 174.62 174.81 3m8c s VAL 94 N 0.07 2.06 0.02 3.82 -7.23 0.01 -1.61 120.40 117.55 3m8c s VAL 94 Ca -0.06 -1.06 0.08 0.00 -1.81 0.00 0.00 61.98 59.13 3m8c s VAL 94 Cb -0.13 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 3m8c s VAL 94 CO 0.03 0.57 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.46 3m8c s VAL 95 N -0.13 1.89 -0.60 1.32 1.01 -0.15 0.14 120.40 123.88 3m8c s VAL 95 Ca -0.05 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.79 3m8c s VAL 95 Cb -0.14 -1.61 0.17 0.00 0.00 0.00 0.00 36.38 34.80 3m8c s VAL 95 CO 0.04 0.38 0.43 0.00 0.00 0.00 0.00 175.10 175.95 3m8c s ALA 96 N -0.71 2.97 0.87 5.51 0.00 -0.55 -1.03 121.76 128.82 3m8c s ALA 96 Ca 0.09 -3.34 -0.10 0.00 0.00 0.00 0.00 51.96 48.62 3m8c s ALA 96 Cb -0.09 -1.97 0.17 0.00 0.00 0.00 0.00 23.12 21.22 3m8c s ALA 96 CO 0.01 -2.06 1.20 -2.14 0.00 0.00 0.00 175.76 172.77 3m8c s PRO 97 N -0.88 1.08 -0.13 0.00 0.02 -1.17 -4.88 135.00 129.05 3m8c s PRO 97 Ca 0.27 -0.64 0.02 0.00 0.02 0.00 0.00 61.00 60.67 3m8c s PRO 97 Cb -0.03 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3m8c s PRO 97 CO -0.17 -2.02 -0.17 0.42 -0.33 0.00 0.00 177.00 174.73 3m8c s ILE 98 N -3.60 1.70 0.24 2.83 1.01 -0.49 -3.00 121.20 119.89 3m8c s ILE 98 Ca 0.71 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.66 3m8c s ILE 98 Cb -0.05 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3m8c s ILE 98 CO 0.50 0.48 0.33 0.20 0.00 0.00 0.00 174.94 176.45 3m8c s ASN 99 N 1.08 6.16 -0.03 3.58 -0.87 -0.31 -0.39 114.94 124.15 3m8c s ASN 99 Ca -0.03 0.00 0.02 0.00 -1.57 0.00 0.00 52.86 51.28 3m8c s ASN 99 Cb -0.14 -1.76 0.01 0.00 -0.02 0.00 0.00 41.25 39.34 3m8c s ASN 99 CO -0.05 -0.07 -0.08 -2.28 -2.57 0.00 0.00 177.10 172.05 3m8c s HIS 100 N -2.01 0.93 -0.03 2.20 5.65 0.72 -1.47 115.29 121.28 3m8c s HIS 100 Ca 0.34 -0.25 0.02 0.00 0.25 0.00 0.00 55.06 55.42 3m8c s HIS 100 Cb -0.09 -0.70 -0.03 0.00 -1.18 0.00 0.00 32.58 30.58 3m8c s HIS 100 CO 0.28 -0.14 -0.08 -0.06 -0.65 0.00 0.00 174.74 174.10 3m8c s PHE 101 N 0.42 2.89 0.04 3.88 0.08 0.23 -1.07 117.98 124.45 3m8c s PHE 101 Ca -0.07 -0.03 0.06 0.00 0.12 0.00 0.00 56.93 57.02 3m8c s PHE 101 Cb -0.11 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3m8c s PHE 101 CO 0.01 0.34 -0.15 0.50 -0.10 0.00 0.00 175.22 175.81 3m8c s ARG 102 N -1.11 2.16 0.04 0.44 3.52 -0.53 -1.68 118.95 121.79 3m8c s ARG 102 Ca 0.15 -0.94 0.09 0.00 -0.13 0.00 0.00 55.73 54.89 3m8c s ARG 102 Cb -0.11 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3m8c s ARG 102 CO 0.04 0.55 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.78 3m8c s PHE 103 N -0.96 2.38 0.67 5.12 0.40 0.29 -0.33 117.98 125.56 3m8c s PHE 103 Ca 0.15 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3m8c s PHE 103 Cb -0.11 -1.42 0.14 0.00 0.51 0.00 0.00 43.02 42.15 3m8c s PHE 103 CO 0.06 0.15 0.92 0.27 0.70 0.00 0.00 175.22 177.32 3m8c n ASN 104 N 1.77 0.85 0.24 1.36 0.23 -0.40 -4.82 115.26 114.50 3m8c n ASN 104 Ca -0.17 -1.81 0.08 0.00 -0.53 0.00 0.00 54.58 52.15 3m8c n ASN 104 Cb 0.52 -0.63 0.61 0.00 -2.08 0.00 0.00 39.78 38.19 3m8c n ASN 104 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3m8c h GLY 105 N -0.77 0.00 1.06 4.83 0.00 -2.00 -1.48 103.07 104.71 3m8c h GLY 105 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3m8c h GLY 105 CO 0.29 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.83 3m8c n ALA 106 N -2.44 2.34 -0.91 3.60 0.00 -1.26 -4.90 120.51 116.94 3m8c n ALA 106 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3m8c n ALA 106 Cb 0.21 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3m8c n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m8c n GLY 107 N 0.46 0.54 3.91 0.00 0.00 -0.56 -5.05 105.19 104.49 3m8c n GLY 107 Ca 0.17 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3m8c n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m8c s LYS 108 N -0.25 3.58 -0.07 1.61 -0.14 -1.26 -4.85 119.74 118.36 3m8c s LYS 108 Ca 0.00 -0.16 -0.30 0.00 -1.36 0.00 0.00 55.97 54.15 3m8c s LYS 108 Cb 0.00 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 3m8c s LYS 108 CO 0.00 0.37 1.33 0.08 -0.76 0.00 0.00 175.35 176.37 3m8c s VAL 109 N -1.85 4.01 -0.84 3.17 1.01 0.28 -1.27 120.40 124.90 3m8c s VAL 109 Ca 0.41 1.32 0.20 0.00 0.00 0.00 0.00 61.98 63.91 3m8c s VAL 109 Cb -0.11 -3.85 -0.24 0.00 0.00 0.00 0.00 36.38 32.18 3m8c s VAL 109 CO 0.28 -0.04 0.82 1.33 0.00 0.00 0.00 175.10 177.48 3m8c n VAL 110 N 4.91 0.00 -3.72 2.92 0.24 0.56 -0.25 118.33 122.99 3m8c n VAL 110 Ca 0.13 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 3m8c n VAL 110 Cb 0.45 0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 33.58 3m8c n VAL 110 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3m8c s SER 111 N -3.13 -0.47 -0.04 -1.34 0.15 -1.09 -1.74 113.70 106.04 3m8c s SER 111 Ca 0.06 0.88 0.01 0.00 0.70 0.00 0.00 55.95 57.60 3m8c s SER 111 Cb 0.15 0.86 0.02 0.00 -1.71 0.00 0.00 66.02 65.34 3m8c s SER 111 CO 0.85 -0.16 -0.04 -0.32 1.20 0.00 0.00 173.24 174.77 3m8c s MET 112 N 0.48 0.68 -0.09 5.44 0.00 -0.43 -1.45 119.30 123.93 3m8c s MET 112 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 55.69 55.62 3m8c s MET 112 Cb -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 34.83 34.08 3m8c s MET 112 CO -0.02 -0.06 -0.17 1.03 0.00 0.00 0.00 175.02 175.79 3m8c s ARG 113 N 0.80 2.28 -0.32 4.11 0.52 -0.23 -0.28 118.95 125.83 3m8c s ARG 113 Ca -0.10 -0.60 -0.07 0.00 -0.52 0.00 0.00 55.73 54.44 3m8c s ARG 113 Cb -0.13 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.54 3m8c s ARG 113 CO -0.00 0.05 0.10 0.00 0.02 0.00 0.00 175.30 175.47 3m8c s ALA 114 N 0.65 3.08 -0.29 2.13 0.00 -0.47 -0.20 121.76 126.65 3m8c s ALA 114 Ca -0.14 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.14 3m8c s ALA 114 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 3m8c s ALA 114 CO 0.04 -1.11 0.17 -1.17 0.00 0.00 0.00 175.76 173.69 3m8c s LEU 115 N 1.47 4.03 -0.13 0.00 0.20 0.48 -2.21 118.68 122.52 3m8c s LEU 115 Ca 0.01 -0.25 -0.30 0.00 0.69 0.00 0.00 54.13 54.28 3m8c s LEU 115 Cb -0.18 -2.06 0.11 0.00 -0.43 0.00 0.00 46.19 43.63 3m8c s LEU 115 CO 0.03 -0.12 0.91 0.72 -0.29 0.00 0.00 176.35 177.60 3m8c s PHE 116 N 1.69 -0.45 0.00 5.38 -0.71 -1.26 -1.40 117.98 121.23 3m8c s PHE 116 Ca 0.06 0.77 0.00 0.00 -1.04 0.00 0.00 56.93 56.72 3m8c s PHE 116 Cb -0.16 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 3m8c s PHE 116 CO 0.08 -0.42 0.00 0.41 -1.34 0.00 0.00 175.22 173.95 3m8c n GLY 117 N 0.77 4.99 0.34 1.99 0.00 -1.26 -4.84 105.19 107.17 3m8c n GLY 117 Ca -0.13 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 43.91 3m8c n GLY 117 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m8c h GLU 118 N 0.00 0.42 0.00 1.61 4.39 -2.03 0.12 114.58 119.08 3m8c h GLU 118 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3m8c h GLU 118 Cb 0.00 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3m8c h GLU 118 CO 0.00 0.28 0.00 0.87 -1.16 0.00 0.00 179.01 179.00 3m8c h LYS 119 N 0.43 0.00 -0.67 2.33 1.57 -2.03 -1.83 116.57 116.38 3m8c h LYS 119 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3m8c h LYS 119 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3m8c h LYS 119 CO -0.06 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.91 3m8c n ASN 120 N -2.40 4.07 -4.37 0.86 4.13 0.40 -4.91 115.26 113.04 3m8c n ASN 120 Ca 0.01 -2.21 -0.33 0.00 1.68 0.00 0.00 54.58 53.74 3m8c n ASN 120 Cb 0.20 -0.51 -0.15 0.00 -1.54 0.00 0.00 39.78 37.79 3m8c n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m8c s ILE 121 N -1.46 2.79 -0.11 2.41 1.01 -0.69 -1.48 121.20 123.68 3m8c s ILE 121 Ca 0.47 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3m8c s ILE 121 Cb 0.27 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.65 3m8c s ILE 121 CO 0.27 0.55 -0.06 -2.28 0.00 0.00 0.00 174.94 173.43 3m8c s HIS 122 N -0.04 1.34 -0.07 3.97 2.46 0.12 -4.98 115.29 118.10 3m8c s HIS 122 Ca -0.04 -0.67 0.03 0.00 0.47 0.00 0.00 55.06 54.85 3m8c s HIS 122 Cb -0.14 -1.15 -0.02 0.00 -0.13 0.00 0.00 32.58 31.13 3m8c s HIS 122 CO 0.04 -0.49 -0.14 0.00 -2.47 0.00 0.00 174.74 171.69 3m8c s ALA 123 N 1.76 2.68 0.00 1.58 0.00 -1.26 -0.81 121.76 125.70 3m8c s ALA 123 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3m8c s ALA 123 Cb -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3m8c s ALA 123 CO -0.08 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.59