#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 4.79 0.29 7.83 0.01 -1.26 -5.01 114.94 121.59 3m8c s ASN 2 Ca 0.00 2.11 -0.14 0.00 -0.71 0.00 0.00 52.86 54.12 3m8c s ASN 2 Cb 0.00 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.01 3m8c s ASN 2 CO 0.00 -1.85 0.69 0.42 -1.51 0.00 0.00 177.10 174.85 3m8c s THR 3 N -2.24 4.73 0.34 1.60 -4.23 -1.26 -4.57 115.64 110.01 3m8c s THR 3 Ca 0.69 0.85 0.16 0.00 -1.18 0.00 0.00 61.69 62.22 3m8c s THR 3 Cb -0.23 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.11 3m8c s THR 3 CO 0.43 -0.13 1.85 1.55 -0.54 0.00 0.00 174.62 177.78 3m8c h PRO 4 N 2.41 0.00 -0.55 3.99 0.13 -1.97 -1.48 132.00 134.53 3m8c h PRO 4 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 3m8c h PRO 4 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3m8c h PRO 4 CO 0.66 0.33 -0.10 0.93 -0.23 0.00 0.00 178.00 179.60 3m8c h GLU 5 N 0.00 1.04 -0.19 0.86 3.07 -1.96 -1.55 114.58 115.85 3m8c h GLU 5 Ca -0.00 -0.38 -0.04 0.00 -0.50 0.00 0.00 59.36 58.44 3m8c h GLU 5 Cb 0.66 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3m8c h GLU 5 CO 0.04 1.07 -0.03 1.25 -1.40 0.00 0.00 179.01 179.94 3m8c h HIS 6 N 0.92 0.40 -0.60 4.33 -0.00 -1.84 -1.73 115.15 116.63 3m8c h HIS 6 Ca 0.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3m8c h HIS 6 Cb 0.67 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.95 3m8c h HIS 6 CO 0.05 0.60 0.32 0.52 -0.00 0.00 0.00 177.93 179.41 3m8c h MET 7 N 0.08 0.83 -0.29 5.26 2.86 -1.25 -1.31 114.93 121.11 3m8c h MET 7 Ca 0.05 -0.09 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 3m8c h MET 7 Cb 0.46 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3m8c h MET 7 CO 0.02 0.62 -0.54 1.15 1.06 0.00 0.00 176.91 179.22 3m8c h THR 8 N 0.84 1.27 -0.63 2.22 2.02 -1.20 -1.65 112.91 115.79 3m8c h THR 8 Ca 0.21 -1.72 -0.08 0.00 0.77 0.00 0.00 66.41 65.59 3m8c h THR 8 Cb 0.04 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3m8c h THR 8 CO -0.03 0.56 0.08 0.00 0.37 0.00 0.00 175.52 176.50 3m8c h ALA 9 N 0.70 0.94 -0.66 6.16 0.00 -0.93 -1.48 119.26 123.99 3m8c h ALA 9 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3m8c h ALA 9 Cb 1.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3m8c h ALA 9 CO 0.12 0.65 0.17 0.28 0.00 0.00 0.00 179.25 180.48 3m8c h VAL 10 N 0.98 1.26 -0.90 0.00 2.07 -1.00 -0.39 116.25 118.26 3m8c h VAL 10 Ca 0.19 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3m8c h VAL 10 Cb 0.46 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3m8c h VAL 10 CO 0.02 0.35 0.58 0.58 0.02 0.00 0.00 177.57 179.11 3m8c h VAL 11 N 0.97 1.13 -0.58 2.57 2.07 -0.94 -0.19 116.25 121.28 3m8c h VAL 11 Ca 0.21 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3m8c h VAL 11 Cb 0.34 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3m8c h VAL 11 CO -0.00 0.20 -0.02 1.56 0.02 0.00 0.00 177.57 179.33 3m8c h GLN 12 N 1.11 1.03 -0.49 1.57 4.20 -0.80 -2.03 115.11 119.70 3m8c h GLN 12 Ca 0.37 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3m8c h GLN 12 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3m8c h GLN 12 CO -0.13 1.02 0.03 0.00 -0.67 0.00 0.00 178.83 179.08 3m8c h ARG 13 N 0.92 0.79 -0.06 1.46 3.08 -0.60 0.69 114.38 120.66 3m8c h ARG 13 Ca 0.16 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3m8c h ARG 13 Cb 0.57 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3m8c h ARG 13 CO 0.03 0.78 0.03 -0.92 -1.07 0.00 0.00 179.97 178.82 3m8c h TYR 14 N 0.75 0.09 -0.71 3.04 3.20 -0.81 0.47 116.97 122.99 3m8c h TYR 14 Ca 0.15 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3m8c h TYR 14 Cb 0.41 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3m8c h TYR 14 CO 0.02 0.15 0.32 0.28 -1.64 0.00 0.00 178.16 177.30 3m8c h VAL 15 N -0.01 1.24 -0.30 1.81 2.07 -1.25 -0.60 116.25 119.21 3m8c h VAL 15 Ca 0.02 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3m8c h VAL 15 Cb 0.10 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3m8c h VAL 15 CO -0.00 0.29 0.14 0.00 0.02 0.00 0.00 177.57 178.02 3m8c h ALA 16 N 1.15 0.39 -0.28 1.67 0.00 -0.66 -1.35 119.26 120.17 3m8c h ALA 16 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3m8c h ALA 16 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m8c h ALA 16 CO -0.03 -0.05 -0.22 0.00 0.00 0.00 0.00 179.25 178.95 3m8c h ALA 17 N 1.00 1.10 -0.12 0.00 0.00 0.16 -0.23 119.26 121.18 3m8c h ALA 17 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3m8c h ALA 17 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3m8c h ALA 17 CO -0.01 0.55 0.05 -0.07 0.00 0.00 0.00 179.25 179.78 3m8c h LEU 18 N 0.47 0.16 -0.96 0.00 3.38 -0.94 0.18 115.31 117.59 3m8c h LEU 18 Ca 0.07 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3m8c h LEU 18 Cb 0.64 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 3m8c h LEU 18 CO 0.05 0.25 0.60 0.78 0.09 0.00 0.00 178.44 180.20 3m8c h ASN 19 N 0.06 0.92 0.48 -0.43 2.35 -1.08 -2.12 115.58 115.76 3m8c h ASN 19 Ca 0.04 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3m8c h ASN 19 Cb 0.13 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3m8c h ASN 19 CO -0.00 0.55 -0.06 0.00 -1.65 0.00 0.00 177.43 176.27 3m8c n ALA 20 N -2.36 2.62 -2.12 -0.83 0.00 -0.11 -4.84 120.51 112.87 3m8c n ALA 20 Ca 0.16 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 3m8c n ALA 20 Cb 0.25 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 1.29 0.11 3.47 0.00 0.00 -0.51 -4.92 105.19 104.61 3m8c n GLY 21 Ca 0.14 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.40 6.92 0.14 1.61 2.15 0.51 -4.91 116.67 120.69 3m8c s ASP 22 Ca 0.00 -2.66 -0.19 0.00 0.43 0.00 0.00 52.55 50.13 3m8c s ASP 22 Cb 0.00 -2.41 0.02 0.00 -0.30 0.00 0.00 42.92 40.23 3m8c s ASP 22 CO 0.00 -0.87 1.68 0.25 -0.17 0.00 0.00 175.17 176.05 3m8c h LEU 23 N 10.09 -0.35 -1.23 -1.34 5.85 -1.92 -1.79 115.31 124.62 3m8c h LEU 23 Ca 0.27 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3m8c h LEU 23 Cb 0.92 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3m8c h LEU 23 CO 1.21 -0.13 0.46 0.44 -0.34 0.00 0.00 178.44 180.08 3m8c h ASP 24 N -0.06 0.85 -0.01 1.25 3.45 -1.98 -1.22 116.42 118.71 3m8c h ASP 24 Ca 0.13 -0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.45 3m8c h ASP 24 Cb 0.26 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 3m8c h ASP 24 CO -0.30 0.64 -0.30 1.23 -1.57 0.00 0.00 179.24 178.94 3m8c h GLY 25 N 1.01 0.50 0.51 2.75 0.00 -1.83 -0.81 103.07 105.20 3m8c h GLY 25 Ca 0.26 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3m8c h GLY 25 CO -0.05 0.39 -0.04 -2.22 0.00 0.00 0.00 176.54 174.61 3m8c h ILE 26 N 0.40 1.14 -0.10 2.60 2.04 -0.46 -3.24 117.51 119.89 3m8c h ILE 26 Ca 0.05 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3m8c h ILE 26 Cb 0.73 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3m8c h ILE 26 CO 0.06 0.24 0.06 0.58 0.00 0.00 0.00 178.15 179.09 3m8c h VAL 27 N -0.61 1.03 0.00 1.67 2.07 -1.09 -1.98 116.25 117.34 3m8c h VAL 27 Ca -0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3m8c h VAL 27 Cb 0.50 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3m8c h VAL 27 CO 0.02 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.64 3m8c h ALA 28 N 1.94 1.00 0.00 1.67 0.00 -1.18 -1.95 119.26 120.74 3m8c h ALA 28 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m8c h ALA 28 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3m8c h ALA 28 CO -0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.17 3m8c h LEU 29 N 0.00 0.00-10.01 0.00 3.38 -1.44 -3.46 115.31 103.78 3m8c h LEU 29 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3m8c h LEU 29 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3m8c h LEU 29 CO 0.00 0.00 -0.19 -0.36 0.09 0.00 0.00 178.44 177.98 3m8c s PHE 30 N -3.36 3.46 0.71 1.13 0.40 -0.73 -1.23 117.98 118.35 3m8c s PHE 30 Ca 0.05 0.69 -0.13 0.00 -0.60 0.00 0.00 56.93 56.94 3m8c s PHE 30 Cb 0.07 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.50 3m8c s PHE 30 CO 0.62 0.29 1.11 0.00 0.70 0.00 0.00 175.22 177.94 3m8c s ALA 31 N -1.85 2.35 0.54 5.36 0.00 0.22 -4.75 121.76 123.63 3m8c s ALA 31 Ca 0.44 0.47 0.20 0.00 0.00 0.00 0.00 51.96 53.07 3m8c s ALA 31 Cb -0.11 -3.31 1.42 0.00 0.00 0.00 0.00 23.12 21.11 3m8c s ALA 31 CO 0.25 -1.51 2.17 -0.44 0.00 0.00 0.00 175.76 176.23 3m8c h ASP 32 N -0.44 0.00 -0.49 0.00 3.32 -1.96 -1.81 116.42 115.05 3m8c h ASP 32 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3m8c h ASP 32 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3m8c h ASP 32 CO 0.53 0.00 0.04 -0.90 -1.72 0.00 0.00 179.24 177.18 3m8c n ASP 33 N -4.35 4.88 -4.69 6.45 5.75 -1.26 -3.40 116.55 119.94 3m8c n ASP 33 Ca -0.03 -3.04 -0.31 0.00 -0.01 0.00 0.00 54.79 51.41 3m8c n ASP 33 Cb 0.11 -0.65 0.15 0.00 -1.03 0.00 0.00 41.12 39.70 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 -2.85 1.54 0.10 2.12 0.00 -0.68 -4.59 121.76 117.40 3m8c s ALA 34 Ca 0.50 0.46 0.09 0.00 0.00 0.00 0.00 51.96 53.01 3m8c s ALA 34 Cb 0.40 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3m8c s ALA 34 CO 0.13 -2.59 -0.22 0.95 0.00 0.00 0.00 175.76 174.03 3m8c s THR 35 N -2.71 1.80 -0.10 0.00 -4.23 -0.50 -1.21 115.64 108.70 3m8c s THR 35 Ca 0.65 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3m8c s THR 35 Cb -0.21 -1.62 0.01 0.00 1.34 0.00 0.00 72.50 72.01 3m8c s THR 35 CO 0.58 -0.03 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.78 3m8c s VAL 36 N -1.13 1.51 -0.28 2.29 1.01 -0.25 -1.19 120.40 122.36 3m8c s VAL 36 Ca 0.08 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3m8c s VAL 36 Cb -0.10 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 34.99 3m8c s VAL 36 CO 0.04 0.44 -0.06 -0.70 0.00 0.00 0.00 175.10 174.82 3m8c s GLU 37 N 0.81 1.99 -0.25 2.72 2.12 0.69 -0.66 118.70 126.13 3m8c s GLU 37 Ca -0.10 -1.47 -0.02 0.00 0.36 0.00 0.00 54.97 53.73 3m8c s GLU 37 Cb -0.16 -2.96 0.14 0.00 0.26 0.00 0.00 34.13 31.41 3m8c s GLU 37 CO 0.01 -0.67 0.37 0.34 -0.54 0.00 0.00 175.26 174.77 3m8c s ASP 38 N 1.06 0.35 0.78 -1.70 2.15 -1.26 -1.36 116.67 116.69 3m8c s ASP 38 Ca -0.03 0.10 -0.12 0.00 0.43 0.00 0.00 52.55 52.93 3m8c s ASP 38 Cb -0.20 1.07 0.06 0.00 -0.30 0.00 0.00 42.92 43.55 3m8c s ASP 38 CO -0.06 -0.31 1.13 -2.16 -0.17 0.00 0.00 175.17 173.60 3m8c s PRO 39 N 2.53 2.23 0.26 4.34 0.04 -1.26 -4.92 135.00 138.22 3m8c s PRO 39 Ca 0.12 0.36 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 3m8c s PRO 39 Cb -0.15 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 3m8c s PRO 39 CO -0.18 -1.46 1.43 0.28 0.04 0.00 0.00 177.00 177.11 3m8c n VAL 40 N -3.27 1.11 0.00 -0.36 0.31 -0.97 -0.96 118.33 114.19 3m8c n VAL 40 Ca 0.07 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3m8c n VAL 40 Cb 0.58 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 1.97 1.64 3.96 2.92 0.00 -1.26 -5.01 105.19 109.41 3m8c n GLY 41 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3m8c n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m8c s SER 42 N -1.64 4.69 0.01 1.61 1.04 -0.13 -5.03 113.70 114.24 3m8c s SER 42 Ca 0.00 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 3m8c s SER 42 Cb 0.00 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 3m8c s SER 42 CO 0.00 -1.62 1.12 -0.70 0.98 0.00 0.00 173.24 173.02 3m8c s GLU 43 N -5.10 4.46 0.44 4.02 2.56 -1.26 -4.86 118.70 118.95 3m8c s GLU 43 Ca 0.62 1.62 -0.25 0.00 0.00 0.00 0.00 54.97 56.96 3m8c s GLU 43 Cb -0.08 -3.43 -0.08 0.00 2.00 0.00 0.00 34.13 32.53 3m8c s GLU 43 CO 0.43 -0.23 1.35 -2.14 -0.56 0.00 0.00 175.26 174.11 3m8c s PRO 44 N 1.31 3.79 0.32 4.30 0.02 -1.26 -4.79 135.00 138.68 3m8c s PRO 44 Ca 0.55 2.25 -0.20 0.00 0.02 0.00 0.00 61.00 63.62 3m8c s PRO 44 Cb -0.25 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 3m8c s PRO 44 CO 0.27 -0.67 0.83 1.03 -0.33 0.00 0.00 177.00 178.12 3m8c s ARG 45 N -2.39 4.26 -0.02 5.54 1.81 0.17 -4.91 118.95 123.41 3m8c s ARG 45 Ca 0.60 0.98 0.00 0.00 -1.72 0.00 0.00 55.73 55.58 3m8c s ARG 45 Cb -0.40 -2.60 0.03 0.00 -0.45 0.00 0.00 34.95 31.53 3m8c s ARG 45 CO 0.51 0.22 0.02 0.45 -0.68 0.00 0.00 175.30 175.82 3m8c s SER 46 N -1.92 0.08 0.00 0.23 0.15 -1.26 -1.10 113.70 109.89 3m8c s SER 46 Ca 0.52 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3m8c s SER 46 Cb -0.14 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 3m8c s SER 46 CO 0.19 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.13 3m8c n GLY 47 N 4.04 -1.18 0.28 9.45 0.00 -0.35 -4.36 105.19 113.08 3m8c n GLY 47 Ca -0.26 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 0.83 -0.23 2.61 2.02 -1.85 -1.43 112.91 114.86 3m8c h THR 48 Ca 0.00 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 3m8c h THR 48 Cb 0.00 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3m8c h THR 48 CO 0.00 0.11 -0.32 0.00 0.37 0.00 0.00 175.52 175.68 3m8c h ALA 49 N 1.46 0.35 -0.56 6.16 0.00 -1.93 0.91 119.26 125.65 3m8c h ALA 49 Ca 0.38 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3m8c h ALA 49 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m8c h ALA 49 CO -0.29 0.39 0.06 0.00 0.00 0.00 0.00 179.25 179.41 3m8c h ALA 50 N 0.65 1.06 -0.31 0.00 0.00 -1.70 -2.20 119.26 116.76 3m8c h ALA 50 Ca 0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3m8c h ALA 50 Cb 0.90 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3m8c h ALA 50 CO 0.07 0.60 -0.53 0.82 0.00 0.00 0.00 179.25 180.22 3m8c h ILE 51 N 0.85 1.27 -0.73 0.00 2.04 -1.09 -0.68 117.51 119.16 3m8c h ILE 51 Ca 0.17 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 3m8c h ILE 51 Cb 0.42 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3m8c h ILE 51 CO 0.01 0.56 0.23 -0.09 0.00 0.00 0.00 178.15 178.86 3m8c h ARG 52 N 0.69 1.14 -0.37 2.37 2.43 -0.73 -1.59 114.38 118.32 3m8c h ARG 52 Ca 0.02 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3m8c h ARG 52 Cb 1.14 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3m8c h ARG 52 CO 0.12 0.96 0.11 1.49 -1.51 0.00 0.00 179.97 181.15 3m8c h GLU 53 N 1.09 0.57 -0.22 0.20 4.81 -1.22 0.54 114.58 120.34 3m8c h GLU 53 Ca 0.24 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3m8c h GLU 53 Cb 0.30 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 3m8c h GLU 53 CO -0.01 0.59 -0.20 0.35 -0.73 0.00 0.00 179.01 179.01 3m8c h PHE 54 N 0.44 -0.53 -0.34 0.92 3.57 -0.93 -0.69 116.94 119.40 3m8c h PHE 54 Ca 0.12 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 3m8c h PHE 54 Cb 0.25 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3m8c h PHE 54 CO 0.01 -0.28 -0.28 1.88 -2.23 0.00 0.00 178.31 177.41 3m8c h TYR 55 N -0.21 0.80 -0.97 0.41 0.05 -1.01 -2.39 116.97 113.65 3m8c h TYR 55 Ca 0.13 -0.20 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 3m8c h TYR 55 Cb 0.41 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.92 3m8c h TYR 55 CO -0.35 0.90 0.60 0.00 -1.05 0.00 0.00 178.16 178.26 3m8c h ALA 56 N 1.09 1.24 -0.23 3.88 0.00 0.46 -1.45 119.26 124.25 3m8c h ALA 56 Ca 0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3m8c h ALA 56 Cb 0.78 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3m8c h ALA 56 CO 0.06 0.67 -0.35 -0.91 0.00 0.00 0.00 179.25 178.72 3m8c h ASN 57 N 1.33 0.51 -0.55 0.00 2.35 -1.03 -2.69 115.58 115.50 3m8c h ASN 57 Ca 0.35 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 3m8c h ASN 57 Cb -0.09 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3m8c h ASN 57 CO -0.07 0.83 -0.06 0.28 -1.65 0.00 0.00 177.43 176.76 3m8c h SER 58 N 0.42 1.02 -0.04 5.81 0.02 -1.10 -3.00 113.55 116.68 3m8c h SER 58 Ca 0.05 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3m8c h SER 58 Cb 0.81 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3m8c h SER 58 CO 0.07 1.10 0.00 0.18 -1.14 0.00 0.00 176.83 177.04 3m8c n LEU 59 N -4.16 0.43 0.19 5.07 4.77 -0.58 -3.40 117.00 119.32 3m8c n LEU 59 Ca 0.02 -0.17 0.18 0.00 -0.03 0.00 0.00 56.01 56.00 3m8c n LEU 59 Cb 0.38 -0.02 0.82 0.00 -2.33 0.00 0.00 43.42 42.26 3m8c n LEU 59 CO 0.45 0.09 1.15 0.11 -1.33 0.00 0.00 177.39 177.86 3m8c h LYS 60 N 0.58 0.00 -6.32 3.23 1.79 -1.33 -3.39 116.57 111.13 3m8c h LYS 60 Ca 0.00 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.78 3m8c h LYS 60 Cb 0.13 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.51 3m8c h LYS 60 CO 0.00 0.00 -0.83 -0.51 -1.08 0.00 0.00 179.45 177.03 3m8c s LEU 61 N -7.53 2.39 0.28 2.94 1.43 -1.22 -5.10 118.68 111.87 3m8c s LEU 61 Ca -0.05 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 3m8c s LEU 61 Cb 0.15 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.81 3m8c s LEU 61 CO 0.54 0.31 1.45 -2.84 0.23 0.00 0.00 176.35 176.05 3m8c s PRO 62 N -0.54 4.24 -0.10 1.29 0.02 -1.26 -5.00 135.00 133.65 3m8c s PRO 62 Ca 0.07 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.49 3m8c s PRO 62 Cb -0.11 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 3m8c s PRO 62 CO 0.01 -0.44 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.55 3m8c s LEU 63 N -0.78 2.45 -0.34 -5.54 1.43 -1.26 -4.57 118.68 110.06 3m8c s LEU 63 Ca 0.58 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 3m8c s LEU 63 Cb -0.43 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3m8c s LEU 63 CO 0.48 0.20 0.21 0.00 0.23 0.00 0.00 176.35 177.47 3m8c s ALA 64 N 0.15 3.40 -0.09 4.21 0.00 0.00 -4.36 121.76 125.06 3m8c s ALA 64 Ca -0.10 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.42 3m8c s ALA 64 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 3m8c s ALA 64 CO 0.06 -1.07 -0.21 0.08 0.00 0.00 0.00 175.76 174.62 3m8c s VAL 65 N 1.66 2.39 -0.02 0.00 1.01 -1.26 -0.95 120.40 123.24 3m8c s VAL 65 Ca 0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3m8c s VAL 65 Cb -0.18 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3m8c s VAL 65 CO 0.08 0.56 0.04 -1.83 0.00 0.00 0.00 175.10 173.95 3m8c s GLU 66 N 0.12 0.03 0.15 2.72 -1.05 -0.80 -4.89 118.70 114.98 3m8c s GLU 66 Ca -0.10 0.09 -0.31 0.00 -0.15 0.00 0.00 54.97 54.49 3m8c s GLU 66 Cb -0.16 -0.04 -0.10 0.00 -0.44 0.00 0.00 34.13 33.40 3m8c s GLU 66 CO 0.06 -0.04 1.59 -0.51 0.95 0.00 0.00 175.26 177.31 3m8c s LEU 67 N 0.27 4.37 0.00 1.83 1.43 -1.26 -1.64 118.68 123.67 3m8c s LEU 67 Ca -0.02 2.60 0.20 0.00 -1.03 0.00 0.00 54.13 55.88 3m8c s LEU 67 Cb -0.03 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 3m8c s LEU 67 CO -0.01 -0.84 0.96 0.35 0.23 0.00 0.00 176.35 177.04 3m8c n THR 68 N 4.11 0.00 -4.00 5.49 -2.24 -0.46 -4.94 114.28 112.24 3m8c n THR 68 Ca 0.14 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3m8c n THR 68 Cb 0.39 1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.43 1.61 0.71 -0.78 -0.21 -1.25 -5.01 119.66 112.30 3m8c s GLN 69 Ca 0.14 -1.30 -0.16 0.00 0.02 0.00 0.00 55.36 54.06 3m8c s GLN 69 Cb 0.16 0.48 0.01 0.00 1.00 0.00 0.00 33.01 34.65 3m8c s GLN 69 CO 0.59 -0.67 1.03 -0.85 -2.12 0.00 0.00 175.29 173.27 3m8c n GLU 70 N -0.40 0.59 -2.56 2.91 0.28 -1.26 -4.76 120.64 115.44 3m8c n GLU 70 Ca -0.02 0.26 -0.38 0.00 -0.16 0.00 0.00 57.16 56.86 3m8c n GLU 70 Cb 0.62 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.17 3m8c n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3m8c s VAL 71 N -1.76 3.73 -0.18 3.84 1.01 -1.26 -4.75 120.40 121.02 3m8c s VAL 71 Ca 0.75 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 64.14 3m8c s VAL 71 Cb -0.35 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3m8c s VAL 71 CO 0.49 0.16 0.03 -0.13 0.00 0.00 0.00 175.10 175.65 3m8c s ARG 72 N -2.04 3.84 -0.05 2.72 3.00 -0.59 -4.99 118.95 120.84 3m8c s ARG 72 Ca 0.52 -0.41 -0.02 0.00 0.00 0.00 0.00 55.73 55.81 3m8c s ARG 72 Cb -0.25 -3.14 0.04 0.00 0.00 0.00 0.00 34.95 31.59 3m8c s ARG 72 CO 0.31 0.20 0.11 0.00 0.00 0.00 0.00 175.30 175.92 3m8c s ALA 73 N 0.55 -0.15 -0.19 2.13 0.00 -1.26 -0.51 121.76 122.34 3m8c s ALA 73 Ca 0.01 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 3m8c s ALA 73 Cb -0.13 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.68 3m8c s ALA 73 CO 0.02 -0.17 0.90 0.54 0.00 0.00 0.00 175.76 177.05 3m8c s VAL 74 N 1.22 0.00 -1.00 0.00 0.11 0.59 -4.83 120.40 116.49 3m8c s VAL 74 Ca -0.08 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.81 3m8c s VAL 74 Cb -0.12 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 3m8c s VAL 74 CO -0.05 0.00 0.64 0.00 -3.33 0.00 0.00 175.10 172.36 3m8c n ALA 75 N 1.44 -2.73 -0.74 1.54 0.00 -1.26 -0.40 120.51 118.35 3m8c n ALA 75 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3m8c n ALA 75 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.42 -1.27 -4.20 0.00 3.02 -1.26 -4.97 115.26 104.16 3m8c n ASN 76 Ca -0.23 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.15 3m8c n ASN 76 Cb 0.64 -1.93 -0.11 0.00 -0.61 0.00 0.00 39.78 37.76 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 -0.86 0.91 0.03 3.52 2.02 0.46 -0.84 118.70 123.94 3m8c s GLU 77 Ca 0.00 -1.14 -0.00 0.00 0.02 0.00 0.00 54.97 53.84 3m8c s GLU 77 Cb 0.00 -0.74 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 3m8c s GLU 77 CO 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 175.26 175.39 3m8c s ALA 78 N -2.06 0.28 0.05 5.21 0.00 -0.64 -0.30 121.76 124.30 3m8c s ALA 78 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3m8c s ALA 78 Cb -0.05 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3m8c s ALA 78 CO 0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 175.76 175.46 3m8c s ALA 79 N -2.22 0.77 -0.19 0.00 0.00 0.34 -0.65 121.76 119.81 3m8c s ALA 79 Ca -0.08 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 3m8c s ALA 79 Cb -0.04 0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.13 3m8c s ALA 79 CO -0.04 0.03 0.56 -0.59 0.00 0.00 0.00 175.76 175.72 3m8c s PHE 80 N -1.43 -0.60 -0.15 0.00 -0.71 -0.01 -1.54 117.98 113.55 3m8c s PHE 80 Ca -0.07 1.41 -0.07 0.00 -1.04 0.00 0.00 56.93 57.16 3m8c s PHE 80 Cb -0.09 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 3m8c s PHE 80 CO 0.01 -0.33 0.10 0.00 -1.34 0.00 0.00 175.22 173.66 3m8c s ALA 81 N 0.09 3.63 0.32 1.99 0.00 -1.26 -0.48 121.76 126.04 3m8c s ALA 81 Ca -0.02 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3m8c s ALA 81 Cb -0.04 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.20 3m8c s ALA 81 CO 0.02 0.41 0.78 -0.59 0.00 0.00 0.00 175.76 176.38 3m8c s PHE 82 N -0.37 -0.03 0.12 0.00 -0.71 -1.18 -1.35 117.98 114.46 3m8c s PHE 82 Ca 0.10 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 55.55 3m8c s PHE 82 Cb -0.12 0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 3m8c s PHE 82 CO 0.01 -1.35 -0.19 0.95 -1.34 0.00 0.00 175.22 173.31 3m8c s THR 83 N -3.05 1.65 -0.10 -4.49 -4.23 -0.65 -3.32 115.64 101.45 3m8c s THR 83 Ca 0.14 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3m8c s THR 83 Cb -0.05 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.20 3m8c s THR 83 CO 0.09 -0.19 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.14 3m8c s VAL 84 N -1.55 1.38 0.11 2.29 1.01 0.24 -1.90 120.40 121.98 3m8c s VAL 84 Ca 0.09 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3m8c s VAL 84 Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3m8c s VAL 84 CO 0.05 0.42 -0.19 -0.94 0.00 0.00 0.00 175.10 174.43 3m8c s SER 85 N 0.95 2.45 0.14 3.32 1.04 -0.12 0.04 113.70 121.51 3m8c s SER 85 Ca -0.08 -0.71 -0.18 0.00 0.48 0.00 0.00 55.95 55.46 3m8c s SER 85 Cb -0.15 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.89 3m8c s SER 85 CO -0.00 0.02 0.47 0.72 0.98 0.00 0.00 173.24 175.42 3m8c s PHE 86 N -1.35 -0.31 -0.05 5.02 -0.71 -0.86 -0.82 117.98 118.90 3m8c s PHE 86 Ca 0.07 0.02 -0.02 0.00 -1.04 0.00 0.00 56.93 55.96 3m8c s PHE 86 Cb -0.09 0.36 0.03 0.00 -1.21 0.00 0.00 43.02 42.11 3m8c s PHE 86 CO 0.04 -0.75 0.06 -2.00 -1.34 0.00 0.00 175.22 171.23 3m8c s GLU 87 N -3.79 0.00 -0.06 1.99 2.12 -1.26 -1.26 118.70 116.45 3m8c s GLU 87 Ca 0.02 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.63 3m8c s GLU 87 Cb 0.01 -0.66 0.02 0.00 0.26 0.00 0.00 34.13 33.76 3m8c s GLU 87 CO -0.12 -0.35 0.14 -0.47 -0.54 0.00 0.00 175.26 173.92 3m8c s TYR 88 N 2.15 -0.16 -1.48 5.30 5.04 -1.16 -4.92 117.35 122.12 3m8c s TYR 88 Ca 0.05 0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.96 3m8c s TYR 88 Cb -0.12 0.00 0.10 0.00 0.35 0.00 0.00 41.96 42.29 3m8c s TYR 88 CO -0.04 -0.11 0.71 1.04 -1.34 0.00 0.00 175.55 175.82 3m8c n GLN 89 N 3.48 -3.96 0.00 4.97 1.13 -1.26 -2.76 117.38 118.98 3m8c n GLN 89 Ca -0.18 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 3m8c n GLN 89 Cb 0.56 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.65 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 -1.38 3.12 3.25 1.08 0.00 -1.26 -5.09 105.19 104.91 3m8c n GLY 90 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.70 3.21 0.30 1.61 3.52 -1.11 -5.12 118.95 120.66 3m8c s ARG 91 Ca 0.00 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 3m8c s ARG 91 Cb 0.00 -2.68 -0.10 0.00 -1.56 0.00 0.00 34.95 30.62 3m8c s ARG 91 CO 0.00 -0.05 1.14 0.21 -0.81 0.00 0.00 175.30 175.80 3m8c s LYS 92 N 0.98 4.52 -0.01 5.12 2.20 -1.26 -3.00 119.74 128.29 3m8c s LYS 92 Ca -0.02 1.88 0.04 0.00 -0.36 0.00 0.00 55.97 57.51 3m8c s LYS 92 Cb -0.15 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3m8c s LYS 92 CO -0.03 0.08 -0.14 0.99 -0.36 0.00 0.00 175.35 175.88 3m8c s THR 93 N -1.20 1.15 -0.17 3.43 2.01 -0.39 -3.92 115.64 116.54 3m8c s THR 93 Ca 0.47 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3m8c s THR 93 Cb -0.33 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.25 3m8c s THR 93 CO 0.43 0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 3m8c s VAL 94 N -0.32 1.62 -0.09 3.82 1.01 0.53 -2.02 120.40 124.94 3m8c s VAL 94 Ca 0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3m8c s VAL 94 Cb -0.06 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3m8c s VAL 94 CO -0.00 0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.75 3m8c s VAL 95 N 1.44 4.41 -0.57 2.92 1.01 0.11 -0.25 120.40 129.47 3m8c s VAL 95 Ca 0.02 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3m8c s VAL 95 Cb -0.14 -2.87 0.15 0.00 0.00 0.00 0.00 36.38 33.52 3m8c s VAL 95 CO -0.10 0.60 0.35 0.00 0.00 0.00 0.00 175.10 175.95 3m8c s ALA 96 N -0.80 3.20 0.68 5.51 0.00 -0.13 -0.60 121.76 129.63 3m8c s ALA 96 Ca 0.12 -3.34 -0.01 0.00 0.00 0.00 0.00 51.96 48.73 3m8c s ALA 96 Cb -0.12 -2.08 0.10 0.00 0.00 0.00 0.00 23.12 21.02 3m8c s ALA 96 CO 0.02 -2.05 0.95 -2.14 0.00 0.00 0.00 175.76 172.54 3m8c s PRO 97 N -0.62 1.92 -0.16 0.00 0.02 -1.21 -4.87 135.00 130.07 3m8c s PRO 97 Ca 0.21 -0.91 0.01 0.00 0.02 0.00 0.00 61.00 60.34 3m8c s PRO 97 Cb -0.16 -2.34 0.01 0.00 0.02 0.00 0.00 34.50 32.04 3m8c s PRO 97 CO -0.08 -1.27 -0.19 0.42 -0.33 0.00 0.00 177.00 175.55 3m8c s ILE 98 N -3.08 2.25 0.17 2.83 1.01 -0.32 -3.11 121.20 120.95 3m8c s ILE 98 Ca 0.64 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3m8c s ILE 98 Cb -0.07 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3m8c s ILE 98 CO 0.43 0.53 0.27 0.20 0.00 0.00 0.00 174.94 176.37 3m8c s ASN 99 N 1.03 6.17 -0.07 3.58 -0.87 0.37 -0.85 114.94 124.30 3m8c s ASN 99 Ca -0.01 0.09 0.02 0.00 -1.57 0.00 0.00 52.86 51.39 3m8c s ASN 99 Cb -0.14 -1.80 0.01 0.00 -0.02 0.00 0.00 41.25 39.29 3m8c s ASN 99 CO -0.06 0.03 -0.12 -2.28 -2.57 0.00 0.00 177.10 172.10 3m8c s HIS 100 N -1.80 1.48 -0.09 2.20 5.65 -0.12 -0.83 115.29 121.79 3m8c s HIS 100 Ca 0.34 -0.56 0.02 0.00 0.25 0.00 0.00 55.06 55.11 3m8c s HIS 100 Cb -0.10 -1.09 -0.02 0.00 -1.18 0.00 0.00 32.58 30.19 3m8c s HIS 100 CO 0.28 -0.29 -0.14 -0.06 -0.65 0.00 0.00 174.74 173.87 3m8c s PHE 101 N 0.71 2.74 0.04 3.88 0.08 0.17 -1.62 117.98 123.99 3m8c s PHE 101 Ca -0.14 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.55 3m8c s PHE 101 Cb -0.16 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 3m8c s PHE 101 CO 0.03 -0.02 -0.06 0.50 -0.10 0.00 0.00 175.22 175.58 3m8c s ARG 102 N -0.21 2.47 -0.03 0.44 3.52 -0.62 -1.62 118.95 122.91 3m8c s ARG 102 Ca 0.00 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 54.86 3m8c s ARG 102 Cb -0.13 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.76 3m8c s ARG 102 CO 0.03 0.57 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.81 3m8c s PHE 103 N -1.11 2.45 0.95 5.12 0.40 -0.02 -0.48 117.98 125.29 3m8c s PHE 103 Ca 0.20 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.99 3m8c s PHE 103 Cb -0.11 -1.55 0.22 0.00 0.51 0.00 0.00 43.02 42.08 3m8c s PHE 103 CO 0.11 0.01 1.29 0.27 0.70 0.00 0.00 175.22 177.60 3m8c n ASN 104 N 2.45 0.10 0.27 1.36 0.23 0.62 -4.84 115.26 115.44 3m8c n ASN 104 Ca -0.16 -1.47 0.18 0.00 -0.53 0.00 0.00 54.58 52.60 3m8c n ASN 104 Cb 0.51 -0.98 0.82 0.00 -2.08 0.00 0.00 39.78 38.05 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 -1.69 0.00 -0.85 4.83 0.00 -2.00 -1.65 103.07 101.71 3m8c h GLY 105 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 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 -2.01 2.49 -0.89 3.60 0.00 -1.26 -4.90 120.51 117.54 3m8c n ALA 106 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3m8c n ALA 106 Cb 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.03 0.69 3.89 0.00 0.00 -0.62 -5.06 105.19 105.12 3m8c n GLY 107 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.11 3.67 -0.15 1.61 -0.14 -1.26 -4.86 119.74 118.50 3m8c s LYS 108 Ca 0.00 0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.33 3m8c s LYS 108 Cb 0.00 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.34 3m8c s LYS 108 CO 0.00 0.43 1.23 0.08 -0.76 0.00 0.00 175.35 176.33 3m8c s VAL 109 N -1.70 4.32 -0.32 3.17 1.01 -0.37 -0.28 120.40 126.24 3m8c s VAL 109 Ca 0.43 1.60 0.22 0.00 0.00 0.00 0.00 61.98 64.23 3m8c s VAL 109 Cb -0.12 -4.03 -0.22 0.00 0.00 0.00 0.00 36.38 32.01 3m8c s VAL 109 CO 0.24 -0.11 0.74 1.33 0.00 0.00 0.00 175.10 177.30 3m8c n VAL 110 N 5.22 0.13 -3.63 2.92 0.24 0.37 -0.61 118.33 122.97 3m8c n VAL 110 Ca 0.13 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.89 3m8c n VAL 110 Cb 0.45 0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 3m8c n VAL 110 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3m8c s SER 111 N -4.32 -0.54 -0.02 -1.34 1.04 -1.14 -1.41 113.70 105.97 3m8c s SER 111 Ca -0.02 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.22 3m8c s SER 111 Cb 0.14 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 67.00 3m8c s SER 111 CO 0.86 -0.41 -0.14 -0.32 0.98 0.00 0.00 173.24 174.21 3m8c s MET 112 N -0.62 1.22 -0.05 4.02 0.00 -0.33 -1.59 119.30 121.95 3m8c s MET 112 Ca -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 55.69 55.14 3m8c s MET 112 Cb -0.03 -1.15 0.02 0.00 0.00 0.00 0.00 34.83 33.67 3m8c s MET 112 CO 0.05 0.27 -0.08 1.03 0.00 0.00 0.00 175.02 176.29 3m8c s ARG 113 N -0.19 1.16 -0.33 4.11 0.52 -0.64 -0.22 118.95 123.36 3m8c s ARG 113 Ca 0.03 -0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3m8c s ARG 113 Cb -0.07 -1.04 0.03 0.00 0.52 0.00 0.00 34.95 34.39 3m8c s ARG 113 CO 0.00 -0.01 0.11 0.00 0.02 0.00 0.00 175.30 175.42 3m8c s ALA 114 N 0.69 3.08 -0.39 2.13 0.00 -0.46 -0.94 121.76 125.87 3m8c s ALA 114 Ca -0.11 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.08 3m8c s ALA 114 Cb -0.14 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.74 3m8c s ALA 114 CO 0.02 -1.19 0.26 -1.17 0.00 0.00 0.00 175.76 173.67 3m8c s LEU 115 N 1.46 4.90 -0.18 0.00 0.20 -0.03 -2.28 118.68 122.74 3m8c s LEU 115 Ca 0.00 -0.90 -0.26 0.00 0.69 0.00 0.00 54.13 53.66 3m8c s LEU 115 Cb -0.19 -2.10 0.07 0.00 -0.43 0.00 0.00 46.19 43.54 3m8c s LEU 115 CO 0.03 -0.41 0.68 0.72 -0.29 0.00 0.00 176.35 177.09 3m8c s PHE 116 N 1.63 -0.71 0.53 5.38 -0.71 -1.26 -1.17 117.98 121.67 3m8c s PHE 116 Ca 0.04 1.58 0.04 0.00 -1.04 0.00 0.00 56.93 57.54 3m8c s PHE 116 Cb -0.19 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 3m8c s PHE 116 CO 0.09 -0.45 0.26 0.20 -1.34 0.00 0.00 175.22 173.98 3m8c s GLY 117 N -0.21 2.60 0.35 1.99 0.00 -1.26 -4.82 107.32 105.98 3m8c s GLY 117 Ca -0.04 -0.94 0.12 0.00 0.00 0.00 0.00 44.72 43.86 3m8c s GLY 117 CO 0.04 -2.03 1.77 -2.09 0.00 0.00 0.00 173.10 170.79 3m8c h GLU 118 N 0.96 0.54 -0.21 2.90 4.57 -2.03 -0.80 114.58 120.51 3m8c h GLU 118 Ca -0.39 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.82 3m8c h GLU 118 Cb 1.31 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3m8c h GLU 118 CO 0.63 0.35 0.23 -0.22 -1.18 0.00 0.00 179.01 178.82 3m8c h LYS 119 N 0.55 0.00 -0.61 1.92 1.63 -2.02 -2.65 116.57 115.39 3m8c h LYS 119 Ca 0.59 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.39 3m8c h LYS 119 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3m8c h LYS 119 CO -0.36 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 175.73 3m8c n ASN 120 N -3.81 3.71 -4.37 4.20 4.13 -0.31 -4.79 115.26 114.02 3m8c n ASN 120 Ca 0.02 -1.99 -0.39 0.00 1.68 0.00 0.00 54.58 53.90 3m8c n ASN 120 Cb 0.36 -0.40 -0.12 0.00 -1.54 0.00 0.00 39.78 38.08 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 -1.10 4.35 -0.53 2.41 1.01 -1.00 -0.95 121.20 125.39 3m8c s ILE 121 Ca 0.43 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3m8c s ILE 121 Cb 0.23 -3.34 0.14 0.00 0.01 0.00 0.00 42.46 39.50 3m8c s ILE 121 CO 0.31 -0.08 0.36 -1.00 0.00 0.00 0.00 174.94 174.53 3m8c s HIS 122 N 1.54 3.50 -0.50 3.97 3.76 0.66 -4.95 115.29 123.27 3m8c s HIS 122 Ca 0.02 -2.38 0.07 0.00 -0.15 0.00 0.00 55.06 52.63 3m8c s HIS 122 Cb -0.18 -3.32 0.47 0.00 1.11 0.00 0.00 32.58 30.66 3m8c s HIS 122 CO 0.05 -0.93 1.30 0.00 -0.85 0.00 0.00 174.74 174.31 3m8c n ALA 123 N 4.21 3.53 1.97 -1.40 0.00 -1.26 -0.35 120.51 127.21 3m8c n ALA 123 Ca 0.01 -1.25 0.16 0.00 0.00 0.00 0.00 53.44 52.36 3m8c n ALA 123 Cb 0.40 -1.11 0.92 0.00 0.00 0.00 0.00 19.45 19.66 3m8c n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91