#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 5.02 0.30 6.12 0.01 -1.26 -5.04 114.94 120.09 3m8c s ASN 2 Ca 0.00 2.23 -0.12 0.00 -0.71 0.00 0.00 52.86 54.26 3m8c s ASN 2 Cb 0.00 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 3m8c s ASN 2 CO 0.00 -1.70 0.67 0.42 -1.51 0.00 0.00 177.10 174.98 3m8c s THR 3 N -1.94 4.80 0.45 1.60 -4.23 -1.26 -4.66 115.64 110.40 3m8c s THR 3 Ca 0.73 0.69 0.12 0.00 -1.18 0.00 0.00 61.69 62.04 3m8c s THR 3 Cb -0.26 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 70.18 3m8c s THR 3 CO 0.37 -0.20 2.06 1.55 -0.54 0.00 0.00 174.62 177.85 3m8c h PRO 4 N 2.17 0.20 -0.39 3.99 0.13 -1.96 -2.26 132.00 133.87 3m8c h PRO 4 Ca -0.47 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3m8c h PRO 4 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3m8c h PRO 4 CO 0.66 0.20 0.17 0.93 -0.23 0.00 0.00 178.00 179.73 3m8c h GLU 5 N 0.20 0.58 -0.04 0.86 3.07 -1.96 -0.58 114.58 116.71 3m8c h GLU 5 Ca 0.05 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3m8c h GLU 5 Cb 0.10 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3m8c h GLU 5 CO -0.00 0.54 0.01 1.25 -1.40 0.00 0.00 179.01 179.41 3m8c h HIS 6 N 0.49 0.06 -0.92 4.33 -0.00 -1.85 0.00 115.15 117.25 3m8c h HIS 6 Ca 0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3m8c h HIS 6 Cb 0.17 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.52 3m8c h HIS 6 CO -0.00 0.24 0.55 0.52 -0.00 0.00 0.00 177.93 179.23 3m8c h MET 7 N -0.13 1.26 -0.35 5.26 2.86 -1.38 0.56 114.93 123.00 3m8c h MET 7 Ca 0.01 -0.12 -0.16 0.00 -2.06 0.00 0.00 59.70 57.38 3m8c h MET 7 Cb 0.20 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3m8c h MET 7 CO -0.00 0.89 -0.39 1.15 1.06 0.00 0.00 176.91 179.62 3m8c h THR 8 N 1.28 1.28 -0.65 2.22 2.02 -0.97 -1.95 112.91 116.13 3m8c h THR 8 Ca 0.33 -1.56 0.08 0.00 0.77 0.00 0.00 66.41 66.03 3m8c h THR 8 Cb -0.04 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3m8c h THR 8 CO -0.06 0.52 0.32 0.00 0.37 0.00 0.00 175.52 176.66 3m8c h ALA 9 N 0.75 0.88 -0.72 6.16 0.00 -0.47 -1.38 119.26 124.48 3m8c h ALA 9 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m8c h ALA 9 Cb 0.98 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3m8c h ALA 9 CO 0.09 -0.06 0.44 0.28 0.00 0.00 0.00 179.25 180.00 3m8c h VAL 10 N 0.56 1.20 -0.31 0.00 2.07 -0.45 0.65 116.25 119.98 3m8c h VAL 10 Ca 0.31 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3m8c h VAL 10 Cb 0.30 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3m8c h VAL 10 CO -0.24 0.21 0.20 0.58 0.02 0.00 0.00 177.57 178.34 3m8c h VAL 11 N 0.98 1.08 -0.58 2.57 2.07 -1.03 0.95 116.25 122.29 3m8c h VAL 11 Ca 0.26 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 3m8c h VAL 11 Cb -0.04 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3m8c h VAL 11 CO -0.05 0.08 0.17 1.56 0.02 0.00 0.00 177.57 179.35 3m8c h GLN 12 N 0.41 0.88 -0.05 1.57 4.20 -0.86 -1.12 115.11 120.15 3m8c h GLN 12 Ca 0.11 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3m8c h GLN 12 Cb -0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3m8c h GLN 12 CO -0.02 0.77 -0.57 0.00 -0.67 0.00 0.00 178.83 178.33 3m8c h ARG 13 N 0.86 0.15 -0.10 1.46 3.08 -0.20 -1.29 114.38 118.33 3m8c h ARG 13 Ca 0.19 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3m8c h ARG 13 Cb 0.26 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3m8c h ARG 13 CO -0.01 0.68 0.05 -0.92 -1.07 0.00 0.00 179.97 178.70 3m8c h TYR 14 N 0.11 0.14 -0.51 3.04 3.20 -0.50 -1.07 116.97 121.38 3m8c h TYR 14 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3m8c h TYR 14 Cb 1.04 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3m8c h TYR 14 CO 0.01 0.22 0.31 0.28 -1.64 0.00 0.00 178.16 177.34 3m8c h VAL 15 N 0.03 1.16 -0.43 1.81 2.07 -1.12 -1.79 116.25 117.98 3m8c h VAL 15 Ca 0.03 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 3m8c h VAL 15 Cb 0.13 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3m8c h VAL 15 CO -0.00 0.16 -0.22 0.00 0.02 0.00 0.00 177.57 177.53 3m8c h ALA 16 N 1.15 0.81 -0.49 1.67 0.00 -1.21 -1.78 119.26 119.41 3m8c h ALA 16 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3m8c h ALA 16 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3m8c h ALA 16 CO -0.03 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.17 3m8c h ALA 17 N 1.00 0.62 -0.93 0.00 0.00 -1.06 -1.38 119.26 117.51 3m8c h ALA 17 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3m8c h ALA 17 Cb 0.75 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3m8c h ALA 17 CO 0.06 0.09 0.61 -0.07 0.00 0.00 0.00 179.25 179.94 3m8c h LEU 18 N 0.65 1.04 -1.29 0.00 3.38 -1.20 0.14 115.31 118.03 3m8c h LEU 18 Ca 0.18 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3m8c h LEU 18 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3m8c h LEU 18 CO -0.04 0.73 -0.35 0.78 0.09 0.00 0.00 178.44 179.65 3m8c h ASN 19 N 1.22 0.00 0.32 -0.43 2.35 -0.99 -2.82 115.58 115.23 3m8c h ASN 19 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3m8c h ASN 19 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3m8c h ASN 19 CO -0.10 0.35 -0.30 0.00 -1.65 0.00 0.00 177.43 175.74 3m8c n ALA 20 N -2.46 3.15 -1.99 -0.83 0.00 -0.55 -4.86 120.51 112.97 3m8c n ALA 20 Ca -0.02 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 3m8c n ALA 20 Cb 0.39 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 1.38 0.35 3.30 0.00 0.00 -0.71 -4.93 105.19 104.56 3m8c n GLY 21 Ca 0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3m8c n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m8c n ASP 22 N -0.59 5.05 -0.13 1.61 2.03 0.42 -4.85 116.55 120.09 3m8c n ASP 22 Ca -0.16 -2.99 -0.04 0.00 0.52 0.00 0.00 54.79 52.12 3m8c n ASP 22 Cb 0.58 -1.59 0.03 0.00 -0.72 0.00 0.00 41.12 39.42 3m8c n ASP 22 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3m8c h LEU 23 N 9.81 -0.29 -1.18 -2.67 5.85 -1.92 -1.75 115.31 123.17 3m8c h LEU 23 Ca 0.38 0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.24 3m8c h LEU 23 Cb 0.80 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 3m8c h LEU 23 CO 1.42 -0.10 0.56 0.44 -0.34 0.00 0.00 178.44 180.42 3m8c h ASP 24 N 0.05 0.93 -0.17 1.25 3.45 -1.98 -1.65 116.42 118.31 3m8c h ASP 24 Ca 0.21 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.60 3m8c h ASP 24 Cb 0.32 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 3m8c h ASP 24 CO -0.40 0.66 -0.06 1.23 -1.57 0.00 0.00 179.24 179.10 3m8c h GLY 25 N 1.09 0.52 0.28 2.75 0.00 -1.76 0.28 103.07 106.22 3m8c h GLY 25 Ca 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m8c h GLY 25 CO -0.08 0.30 -0.00 -2.22 0.00 0.00 0.00 176.54 174.54 3m8c h ILE 26 N 0.46 1.57 -0.88 2.60 2.04 -0.66 -3.29 117.51 119.34 3m8c h ILE 26 Ca 0.09 -1.69 0.01 0.00 1.00 0.00 0.00 64.86 64.28 3m8c h ILE 26 Cb 0.39 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 3m8c h ILE 26 CO 0.02 0.44 0.58 0.58 0.00 0.00 0.00 178.15 179.77 3m8c h VAL 27 N -0.73 1.21 0.00 1.67 2.07 -1.22 -1.45 116.25 117.80 3m8c h VAL 27 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3m8c h VAL 27 Cb 0.72 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3m8c h VAL 27 CO 0.00 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3m8c n ALA 28 N -2.40 1.08 0.23 1.67 0.00 0.08 -1.57 120.51 119.60 3m8c n ALA 28 Ca 0.10 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.81 3m8c n ALA 28 Cb 0.04 -1.23 0.31 0.00 0.00 0.00 0.00 19.45 18.57 3m8c n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3m8c h LEU 29 N 0.00 0.00 -9.89 0.00 3.38 -1.34 -3.46 115.31 104.00 3m8c h LEU 29 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3m8c h LEU 29 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3m8c h LEU 29 CO 0.00 0.01 -0.47 -0.36 0.09 0.00 0.00 178.44 177.71 3m8c s PHE 30 N -3.33 3.52 0.79 1.13 0.40 -0.61 -1.54 117.98 118.34 3m8c s PHE 30 Ca 0.05 0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.57 3m8c s PHE 30 Cb 0.06 -1.81 0.07 0.00 0.51 0.00 0.00 43.02 41.85 3m8c s PHE 30 CO 0.64 0.58 1.21 0.00 0.70 0.00 0.00 175.22 178.35 3m8c s ALA 31 N -1.49 1.91 0.35 5.36 0.00 -0.48 -4.80 121.76 122.62 3m8c s ALA 31 Ca 0.34 0.87 0.13 0.00 0.00 0.00 0.00 51.96 53.30 3m8c s ALA 31 Cb -0.13 -3.49 0.97 0.00 0.00 0.00 0.00 23.12 20.47 3m8c s ALA 31 CO 0.25 -2.19 1.75 0.38 0.00 0.00 0.00 175.76 175.95 3m8c h ASP 32 N -0.73 0.59 -0.31 0.00 2.03 -1.96 -2.40 116.42 113.63 3m8c h ASP 32 Ca -0.47 0.11 -0.10 0.00 -0.73 0.00 0.00 57.03 55.84 3m8c h ASP 32 Cb 1.30 0.02 -0.06 0.00 -0.83 0.00 0.00 39.33 39.76 3m8c h ASP 32 CO 0.47 0.11 -0.02 -0.90 -1.03 0.00 0.00 179.24 177.87 3m8c n ASP 33 N -4.77 3.12 -4.48 4.15 5.75 -1.26 -2.97 116.55 116.09 3m8c n ASP 33 Ca 0.26 -3.40 -0.32 0.00 -0.01 0.00 0.00 54.79 51.32 3m8c n ASP 33 Cb 0.79 -0.59 0.16 0.00 -1.03 0.00 0.00 41.12 40.44 3m8c n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m8c n ALA 34 N -0.87 -2.32 -2.66 2.12 0.00 -0.90 -4.55 120.51 111.32 3m8c n ALA 34 Ca 0.28 -0.74 -0.20 0.00 0.00 0.00 0.00 53.44 52.78 3m8c n ALA 34 Cb 0.97 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 3m8c n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m8c s THR 35 N -2.45 1.08 -0.15 0.00 -4.23 -0.65 -1.04 115.64 108.20 3m8c s THR 35 Ca 0.61 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 3m8c s THR 35 Cb -0.21 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.66 3m8c s THR 35 CO 0.64 -0.02 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.82 3m8c s VAL 36 N -0.88 2.24 -0.33 2.29 1.01 -0.22 -1.27 120.40 123.24 3m8c s VAL 36 Ca 0.01 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3m8c s VAL 36 Cb -0.08 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.48 3m8c s VAL 36 CO 0.01 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 174.99 3m8c s GLU 37 N 0.85 1.53 -0.23 2.72 2.12 -0.02 -1.39 118.70 124.29 3m8c s GLU 37 Ca -0.06 -1.80 -0.03 0.00 0.36 0.00 0.00 54.97 53.45 3m8c s GLU 37 Cb -0.15 -3.14 0.11 0.00 0.26 0.00 0.00 34.13 31.21 3m8c s GLU 37 CO -0.02 -0.90 0.28 0.34 -0.54 0.00 0.00 175.26 174.42 3m8c s ASP 38 N 0.95 1.08 0.76 -1.70 -1.08 -1.26 -1.09 116.67 114.33 3m8c s ASP 38 Ca 0.09 -0.17 -0.10 0.00 -0.52 0.00 0.00 52.55 51.84 3m8c s ASP 38 Cb -0.19 0.62 0.06 0.00 -1.46 0.00 0.00 42.92 41.96 3m8c s ASP 38 CO -0.08 -0.33 1.12 -2.16 0.52 0.00 0.00 175.17 174.24 3m8c s PRO 39 N 2.40 2.16 0.30 4.34 0.04 -1.26 -4.93 135.00 138.05 3m8c s PRO 39 Ca 0.09 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 3m8c s PRO 39 Cb -0.15 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 3m8c s PRO 39 CO -0.16 -1.41 1.23 0.28 0.04 0.00 0.00 177.00 176.98 3m8c n VAL 40 N -3.16 1.73 0.00 -0.36 0.31 0.44 -1.79 118.33 115.50 3m8c n VAL 40 Ca 0.08 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3m8c n VAL 40 Cb 0.60 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 1.24 3.26 3.84 2.92 0.00 -1.26 -4.96 105.19 110.23 3m8c n GLY 41 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.58 4.26 0.07 1.61 1.04 -0.74 -5.02 113.70 114.35 3m8c s SER 42 Ca 0.00 0.97 -0.31 0.00 0.48 0.00 0.00 55.95 57.09 3m8c s SER 42 Cb 0.00 -1.56 -0.06 0.00 0.10 0.00 0.00 66.02 64.50 3m8c s SER 42 CO 0.00 -2.08 1.20 -1.61 0.98 0.00 0.00 173.24 171.73 3m8c s GLU 43 N -5.38 4.44 0.30 4.02 8.01 -1.26 -4.82 118.70 124.01 3m8c s GLU 43 Ca 0.62 1.78 -0.29 0.00 0.01 0.00 0.00 54.97 57.09 3m8c s GLU 43 Cb -0.13 -3.34 -0.10 0.00 -4.31 0.00 0.00 34.13 26.25 3m8c s GLU 43 CO 0.52 -0.24 1.33 -1.25 0.01 0.00 0.00 175.26 175.63 3m8c s PRO 44 N 0.94 4.35 -0.09 0.39 0.04 -1.26 -4.76 135.00 134.59 3m8c s PRO 44 Ca 0.58 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.70 3m8c s PRO 44 Cb -0.30 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 3m8c s PRO 44 CO 0.30 -0.23 0.32 1.03 0.04 0.00 0.00 177.00 178.46 3m8c s ARG 45 N -1.39 4.01 0.03 4.56 1.81 -0.48 -4.93 118.95 122.55 3m8c s ARG 45 Ca 0.51 0.19 0.03 0.00 -1.72 0.00 0.00 55.73 54.75 3m8c s ARG 45 Cb -0.40 -3.32 -0.02 0.00 -0.45 0.00 0.00 34.95 30.77 3m8c s ARG 45 CO 0.50 0.48 -0.11 -1.54 -0.68 0.00 0.00 175.30 173.95 3m8c s SER 46 N -0.31 1.24 0.00 0.23 1.04 -1.26 -1.06 113.70 113.58 3m8c s SER 46 Ca 0.19 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3m8c s SER 46 Cb -0.14 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3m8c s SER 46 CO 0.08 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3m8c n GLY 47 N 1.94 0.69 0.25 7.32 0.00 -0.21 -4.41 105.19 110.77 3m8c n GLY 47 Ca -0.19 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 0.55 0.01 2.61 2.02 -1.80 -1.24 112.91 115.06 3m8c h THR 48 Ca 0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3m8c h THR 48 Cb 0.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3m8c h THR 48 CO 0.00 0.05 -0.01 0.00 0.37 0.00 0.00 175.52 175.93 3m8c h ALA 49 N 1.57 -0.02 -0.75 6.16 0.00 -1.91 0.16 119.26 124.46 3m8c h ALA 49 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3m8c h ALA 49 Cb 0.61 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3m8c h ALA 49 CO -0.48 -0.36 0.47 0.00 0.00 0.00 0.00 179.25 178.89 3m8c h ALA 50 N 0.65 1.42 -0.00 0.00 0.00 -1.73 -1.25 119.26 118.35 3m8c h ALA 50 Ca -0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3m8c h ALA 50 Cb 0.32 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3m8c h ALA 50 CO 0.00 0.52 -0.68 0.82 0.00 0.00 0.00 179.25 179.91 3m8c h ILE 51 N 1.02 1.40 -0.88 0.00 2.04 -1.03 0.14 117.51 120.21 3m8c h ILE 51 Ca 0.27 -2.11 0.04 0.00 1.00 0.00 0.00 64.86 64.06 3m8c h ILE 51 Cb -0.08 2.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 3m8c h ILE 51 CO -0.05 0.62 0.56 -0.09 0.00 0.00 0.00 178.15 179.19 3m8c h ARG 52 N -0.02 1.04 -0.31 2.37 2.43 -0.67 -0.44 114.38 118.78 3m8c h ARG 52 Ca -0.09 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 3m8c h ARG 52 Cb 1.39 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3m8c h ARG 52 CO 0.13 0.69 -0.34 0.93 -1.51 0.00 0.00 179.97 179.87 3m8c h GLU 53 N 1.07 0.70 -0.12 0.20 5.08 -0.96 -0.26 114.58 120.28 3m8c h GLU 53 Ca 0.36 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3m8c h GLU 53 Cb 0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3m8c h GLU 53 CO -0.14 0.94 -0.20 0.35 -1.00 0.00 0.00 179.01 178.96 3m8c h PHE 54 N 0.59 -0.52 -0.33 4.33 3.57 -0.20 -1.78 116.94 122.59 3m8c h PHE 54 Ca 0.06 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3m8c h PHE 54 Cb 0.86 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 3m8c h PHE 54 CO 0.04 -0.28 -0.30 1.88 -2.23 0.00 0.00 178.31 177.42 3m8c h TYR 55 N -0.26 0.83 -0.44 0.41 0.05 -0.94 -0.15 116.97 116.47 3m8c h TYR 55 Ca 0.10 -0.21 0.05 0.00 0.05 0.00 0.00 58.73 58.71 3m8c h TYR 55 Cb 0.40 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.90 3m8c h TYR 55 CO -0.30 0.93 0.18 0.00 -1.05 0.00 0.00 178.16 177.92 3m8c h ALA 56 N 1.05 0.53 -0.78 3.88 0.00 -0.90 -1.22 119.26 121.82 3m8c h ALA 56 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3m8c h ALA 56 Cb 0.82 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3m8c h ALA 56 CO 0.07 -0.20 0.42 -0.97 0.00 0.00 0.00 179.25 178.57 3m8c h ASN 57 N 0.37 0.99 -0.09 0.00 -1.24 -1.14 -2.52 115.58 111.96 3m8c h ASN 57 Ca 0.20 -0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.13 3m8c h ASN 57 Cb 0.16 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 3m8c h ASN 57 CO -0.18 0.81 0.09 0.28 -1.29 0.00 0.00 177.43 177.14 3m8c h SER 58 N 1.09 0.00 -0.59 1.15 0.02 -0.33 -2.57 113.55 112.31 3m8c h SER 58 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3m8c h SER 58 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3m8c h SER 58 CO -0.04 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.83 3m8c n LEU 59 N -3.95 3.87 -0.19 5.07 4.77 -0.52 -4.56 117.00 121.48 3m8c n LEU 59 Ca -0.01 -1.95 0.14 0.00 -0.03 0.00 0.00 56.01 54.16 3m8c n LEU 59 Cb 0.19 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 41.25 3m8c n LEU 59 CO 0.29 0.76 1.21 0.11 -1.33 0.00 0.00 177.39 178.43 3m8c h LYS 60 N 3.61 0.50 -6.57 3.23 1.57 -1.48 -3.41 116.57 114.01 3m8c h LYS 60 Ca 0.00 -0.03 -0.67 0.00 -1.87 0.00 0.00 60.65 58.08 3m8c h LYS 60 Cb 1.12 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.15 3m8c h LYS 60 CO 0.12 0.33 -0.75 -0.51 -0.57 0.00 0.00 179.45 178.08 3m8c s LEU 61 N -9.51 2.99 0.20 2.94 1.43 -1.26 -5.09 118.68 110.38 3m8c s LEU 61 Ca -0.09 -0.41 -0.32 0.00 -1.03 0.00 0.00 54.13 52.28 3m8c s LEU 61 Cb 0.21 -1.79 -0.13 0.00 0.03 0.00 0.00 46.19 44.51 3m8c s LEU 61 CO 0.77 0.18 1.58 -2.65 0.23 0.00 0.00 176.35 176.47 3m8c n PRO 62 N 0.74 2.35 -4.26 1.29 -0.02 -1.26 -5.00 135.00 128.84 3m8c n PRO 62 Ca -0.14 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3m8c n PRO 62 Cb 0.52 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 3m8c n PRO 62 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3m8c s LEU 63 N 0.63 3.58 -0.21 2.45 1.43 -1.26 -4.62 118.68 120.68 3m8c s LEU 63 Ca 0.74 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3m8c s LEU 63 Cb -0.61 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3m8c s LEU 63 CO 0.40 0.29 -0.06 0.00 0.23 0.00 0.00 176.35 177.21 3m8c s ALA 64 N -1.09 2.76 -0.15 4.21 0.00 -0.30 -4.64 121.76 122.55 3m8c s ALA 64 Ca 0.20 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3m8c s ALA 64 Cb -0.12 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.40 3m8c s ALA 64 CO 0.10 -0.35 -0.21 0.08 0.00 0.00 0.00 175.76 175.38 3m8c s VAL 65 N 1.35 2.13 -0.03 0.00 1.01 -1.26 -0.72 120.40 122.88 3m8c s VAL 65 Ca 0.04 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3m8c s VAL 65 Cb -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3m8c s VAL 65 CO -0.03 0.54 -0.20 -1.83 0.00 0.00 0.00 175.10 173.58 3m8c s GLU 66 N 0.97 1.81 0.06 2.72 -1.05 -0.48 -4.91 118.70 117.82 3m8c s GLU 66 Ca -0.03 -0.71 -0.31 0.00 -0.15 0.00 0.00 54.97 53.77 3m8c s GLU 66 Cb -0.15 -1.66 -0.06 0.00 -0.44 0.00 0.00 34.13 31.83 3m8c s GLU 66 CO -0.05 0.37 1.28 -0.51 0.95 0.00 0.00 175.26 177.29 3m8c s LEU 67 N -0.27 4.36 0.00 1.83 1.43 -1.26 -1.25 118.68 123.51 3m8c s LEU 67 Ca 0.03 2.10 0.09 0.00 -1.03 0.00 0.00 54.13 55.31 3m8c s LEU 67 Cb -0.10 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.64 3m8c s LEU 67 CO 0.01 -0.56 0.84 0.35 0.23 0.00 0.00 176.35 177.22 3m8c n THR 68 N 4.08 0.15 -3.86 5.49 -2.24 -0.80 -4.96 114.28 112.14 3m8c n THR 68 Ca 0.10 -0.57 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 3m8c n THR 68 Cb 0.45 1.08 -0.03 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 -0.78 1.69 0.62 -0.78 -0.21 -1.25 -5.01 119.66 113.94 3m8c s GLN 69 Ca 0.12 -1.01 -0.18 0.00 0.02 0.00 0.00 55.36 54.31 3m8c s GLN 69 Cb 0.08 0.58 -0.04 0.00 1.00 0.00 0.00 33.01 34.63 3m8c s GLN 69 CO 0.11 -0.76 1.05 -0.85 -2.12 0.00 0.00 175.29 172.73 3m8c n GLU 70 N -0.43 0.95 -2.34 2.91 0.28 -1.26 -4.74 120.64 116.00 3m8c n GLU 70 Ca -0.05 0.37 -0.38 0.00 -0.16 0.00 0.00 57.16 56.94 3m8c n GLU 70 Cb 0.60 -2.27 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 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 -1.48 3.25 -0.18 3.84 1.01 -1.26 -4.76 120.40 120.81 3m8c s VAL 71 Ca 0.78 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.78 3m8c s VAL 71 Cb -0.40 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3m8c s VAL 71 CO 0.45 0.13 0.03 -0.13 0.00 0.00 0.00 175.10 175.58 3m8c s ARG 72 N -2.16 3.83 -0.11 2.72 3.00 -0.38 -4.98 118.95 120.88 3m8c s ARG 72 Ca 0.55 -0.42 -0.04 0.00 0.00 0.00 0.00 55.73 55.81 3m8c s ARG 72 Cb -0.30 -3.13 0.05 0.00 0.00 0.00 0.00 34.95 31.57 3m8c s ARG 72 CO 0.38 0.20 0.23 0.00 0.00 0.00 0.00 175.30 176.11 3m8c s ALA 73 N 0.55 -0.46 -0.11 2.13 0.00 -1.26 -0.74 121.76 121.87 3m8c s ALA 73 Ca 0.01 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.55 3m8c s ALA 73 Cb -0.13 -0.83 0.07 0.00 0.00 0.00 0.00 23.12 22.23 3m8c s ALA 73 CO 0.02 -0.46 0.67 0.54 0.00 0.00 0.00 175.76 176.52 3m8c s VAL 74 N 1.97 0.00 -1.37 0.00 0.11 -0.34 -4.82 120.40 115.96 3m8c s VAL 74 Ca -0.02 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 3m8c s VAL 74 Cb -0.12 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 3m8c s VAL 74 CO -0.08 -0.01 0.43 0.00 -3.33 0.00 0.00 175.10 172.11 3m8c n ALA 75 N 1.44 -2.16 -0.98 1.54 0.00 -1.26 -1.13 120.51 117.95 3m8c n ALA 75 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3m8c n ALA 75 Cb 0.56 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.83 -4.47 -4.22 0.00 3.02 -1.26 -4.99 115.26 100.51 3m8c n ASN 76 Ca -0.26 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.13 3m8c n ASN 76 Cb 0.66 -2.23 -0.11 0.00 -0.61 0.00 0.00 39.78 37.49 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 -1.15 0.96 0.03 3.52 2.02 -0.29 -0.02 118.70 123.77 3m8c s GLU 77 Ca 0.00 -1.24 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 3m8c s GLU 77 Cb 0.00 -0.71 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 3m8c s GLU 77 CO 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 175.26 175.39 3m8c s ALA 78 N -2.44 0.15 0.01 5.21 0.00 -0.40 -1.20 121.76 123.10 3m8c s ALA 78 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3m8c s ALA 78 Cb -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3m8c s ALA 78 CO 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 175.76 175.53 3m8c s ALA 79 N -2.05 0.16 -0.03 0.00 0.00 0.08 -0.72 121.76 119.20 3m8c s ALA 79 Ca -0.10 -0.41 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 3m8c s ALA 79 Cb -0.05 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.18 3m8c s ALA 79 CO -0.03 -0.08 0.44 -0.59 0.00 0.00 0.00 175.76 175.51 3m8c s PHE 80 N -0.91 -0.36 -0.08 0.00 -0.71 -0.45 -1.25 117.98 114.22 3m8c s PHE 80 Ca -0.09 0.61 -0.02 0.00 -1.04 0.00 0.00 56.93 56.38 3m8c s PHE 80 Cb -0.06 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 3m8c s PHE 80 CO -0.00 -0.46 0.03 0.00 -1.34 0.00 0.00 175.22 173.45 3m8c s ALA 81 N -1.21 3.41 0.29 1.99 0.00 -1.26 -0.69 121.76 124.30 3m8c s ALA 81 Ca -0.12 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 3m8c s ALA 81 Cb -0.03 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.56 3m8c s ALA 81 CO 0.06 0.61 0.77 -0.59 0.00 0.00 0.00 175.76 176.61 3m8c s PHE 82 N -0.95 -0.09 0.03 0.00 -0.71 -1.16 -1.90 117.98 113.20 3m8c s PHE 82 Ca 0.15 -0.41 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 3m8c s PHE 82 Cb -0.11 0.74 -0.02 0.00 -1.21 0.00 0.00 43.02 42.41 3m8c s PHE 82 CO 0.04 -1.28 -0.16 0.95 -1.34 0.00 0.00 175.22 173.43 3m8c s THR 83 N -3.38 1.25 -0.11 -4.49 -4.23 -0.38 -3.11 115.64 101.19 3m8c s THR 83 Ca 0.13 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 3m8c s THR 83 Cb -0.05 -1.11 -0.00 0.00 1.34 0.00 0.00 72.50 72.68 3m8c s THR 83 CO 0.08 0.09 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.34 3m8c s VAL 84 N -0.78 2.29 -0.03 2.29 1.01 0.36 -1.38 120.40 124.16 3m8c s VAL 84 Ca 0.03 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3m8c s VAL 84 Cb -0.08 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3m8c s VAL 84 CO 0.01 0.55 -0.21 -0.44 0.00 0.00 0.00 175.10 175.01 3m8c s SER 85 N 0.43 2.59 0.25 3.32 0.01 0.10 -0.90 113.70 119.51 3m8c s SER 85 Ca -0.15 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 3m8c s SER 85 Cb -0.17 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.56 3m8c s SER 85 CO 0.06 0.23 0.64 0.72 0.41 0.00 0.00 173.24 175.30 3m8c s PHE 86 N -0.27 -0.10 -0.04 2.43 -0.71 -0.57 -1.15 117.98 117.57 3m8c s PHE 86 Ca 0.02 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 3m8c s PHE 86 Cb -0.11 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.27 3m8c s PHE 86 CO 0.01 -1.12 -0.06 -2.00 -1.34 0.00 0.00 175.22 170.71 3m8c s GLU 87 N -3.92 0.89 -0.03 1.99 2.12 -1.26 -0.83 118.70 117.65 3m8c s GLU 87 Ca 0.12 -0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.26 3m8c s GLU 87 Cb -0.04 -0.85 0.03 0.00 0.26 0.00 0.00 34.13 33.53 3m8c s GLU 87 CO 0.05 0.00 0.02 -0.47 -0.54 0.00 0.00 175.26 174.32 3m8c s TYR 88 N 0.57 0.20 -1.51 5.30 5.04 0.29 -4.84 117.35 122.41 3m8c s TYR 88 Ca -0.08 0.07 -0.09 0.00 -2.44 0.00 0.00 57.07 54.52 3m8c s TYR 88 Cb -0.12 -0.37 0.07 0.00 0.35 0.00 0.00 41.96 41.89 3m8c s TYR 88 CO 0.01 -0.13 0.71 1.04 -1.34 0.00 0.00 175.55 175.83 3m8c n GLN 89 N 4.31 -4.04 -1.12 4.97 1.13 -1.26 -1.22 117.38 120.15 3m8c n GLN 89 Ca -0.24 0.47 -0.04 0.00 -1.94 0.00 0.00 57.00 55.25 3m8c n GLN 89 Cb 0.50 -5.02 -0.02 0.00 0.11 0.00 0.00 30.24 25.81 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 -1.69 0.57 3.47 1.08 0.00 -1.26 -5.01 105.19 102.35 3m8c n GLY 90 Ca -0.11 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3m8c n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8c s ARG 91 N -1.82 3.43 -0.14 1.61 0.52 -0.36 -5.12 118.95 117.08 3m8c s ARG 91 Ca 0.00 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 54.54 3m8c s ARG 91 Cb 0.00 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 3m8c s ARG 91 CO 0.00 0.30 0.16 0.15 0.02 0.00 0.00 175.30 175.93 3m8c s LYS 92 N 0.17 3.75 0.06 3.54 1.02 -1.26 -0.54 119.74 126.47 3m8c s LYS 92 Ca -0.04 -0.12 0.06 0.00 0.02 0.00 0.00 55.97 55.88 3m8c s LYS 92 Cb -0.14 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 3m8c s LYS 92 CO 0.04 0.59 -0.16 0.99 -0.92 0.00 0.00 175.35 175.89 3m8c s THR 93 N -0.50 1.23 -0.12 2.17 2.01 -0.01 -2.09 115.64 118.33 3m8c s THR 93 Ca 0.13 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 3m8c s THR 93 Cb -0.12 -1.14 0.04 0.00 0.01 0.00 0.00 72.50 71.29 3m8c s THR 93 CO 0.02 -0.08 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.16 3m8c s VAL 94 N -1.05 0.73 -0.11 3.82 1.01 0.86 -1.52 120.40 124.15 3m8c s VAL 94 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3m8c s VAL 94 Cb -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3m8c s VAL 94 CO 0.02 0.18 0.06 -0.69 0.00 0.00 0.00 175.10 174.67 3m8c s VAL 95 N 1.81 4.81 -0.46 2.92 1.01 -0.08 0.37 120.40 130.78 3m8c s VAL 95 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3m8c s VAL 95 Cb -0.14 -3.07 0.15 0.00 0.00 0.00 0.00 36.38 33.32 3m8c s VAL 95 CO -0.07 0.59 0.29 0.00 0.00 0.00 0.00 175.10 175.91 3m8c s ALA 96 N -0.78 2.08 0.81 5.51 0.00 0.13 -0.49 121.76 129.02 3m8c s ALA 96 Ca 0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 51.96 49.40 3m8c s ALA 96 Cb -0.12 -1.84 0.17 0.00 0.00 0.00 0.00 23.12 21.33 3m8c s ALA 96 CO 0.03 -2.06 1.09 -2.30 0.00 0.00 0.00 175.76 172.51 3m8c n PRO 97 N 3.28 -0.42 -4.14 0.00 -0.02 -1.18 -4.86 135.00 127.66 3m8c n PRO 97 Ca 0.14 -2.55 -0.28 0.00 -2.02 0.00 0.00 63.50 58.79 3m8c n PRO 97 Cb 0.37 -0.85 -0.17 0.00 -0.02 0.00 0.00 33.50 32.84 3m8c n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m8c s ILE 98 N -3.30 1.37 0.15 4.25 1.01 -0.47 -2.98 121.20 121.22 3m8c s ILE 98 Ca 0.69 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3m8c s ILE 98 Cb -0.03 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3m8c s ILE 98 CO 0.46 0.42 0.17 0.20 0.00 0.00 0.00 174.94 176.20 3m8c s ASN 99 N 1.36 5.75 -0.09 3.58 -0.87 0.13 -0.21 114.94 124.59 3m8c s ASN 99 Ca 0.01 -0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.29 3m8c s ASN 99 Cb -0.13 -1.58 0.01 0.00 -0.02 0.00 0.00 41.25 39.52 3m8c s ASN 99 CO -0.07 0.08 -0.18 -2.28 -2.57 0.00 0.00 177.10 172.08 3m8c s HIS 100 N -1.71 2.03 -0.07 2.20 2.46 -0.01 -1.34 115.29 118.85 3m8c s HIS 100 Ca 0.32 -0.85 0.01 0.00 0.47 0.00 0.00 55.06 55.01 3m8c s HIS 100 Cb -0.11 -1.42 -0.03 0.00 -0.13 0.00 0.00 32.58 30.90 3m8c s HIS 100 CO 0.25 -0.39 -0.08 -0.06 -2.47 0.00 0.00 174.74 171.98 3m8c s PHE 101 N 0.62 2.89 -0.06 3.88 0.08 0.10 -1.17 117.98 124.32 3m8c s PHE 101 Ca -0.14 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 56.88 3m8c s PHE 101 Cb -0.16 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3m8c s PHE 101 CO 0.04 0.28 -0.05 1.03 -0.10 0.00 0.00 175.22 176.42 3m8c s ARG 102 N -0.74 2.77 0.07 0.44 0.52 -0.51 -1.27 118.95 120.23 3m8c s ARG 102 Ca 0.11 -0.54 0.09 0.00 -0.52 0.00 0.00 55.73 54.86 3m8c s ARG 102 Cb -0.11 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 3m8c s ARG 102 CO 0.01 0.66 -0.21 -0.06 0.02 0.00 0.00 175.30 175.72 3m8c s PHE 103 N -0.85 2.46 0.63 -0.53 0.40 0.97 -0.85 117.98 120.21 3m8c s PHE 103 Ca 0.13 -0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 56.13 3m8c s PHE 103 Cb -0.11 -1.39 0.13 0.00 0.51 0.00 0.00 43.02 42.16 3m8c s PHE 103 CO 0.03 0.27 0.87 0.27 0.70 0.00 0.00 175.22 177.35 3m8c n ASN 104 N 1.35 0.98 0.24 1.36 0.23 0.21 -4.84 115.26 114.79 3m8c n ASN 104 Ca -0.16 -1.87 0.11 0.00 -0.53 0.00 0.00 54.58 52.13 3m8c n ASN 104 Cb 0.52 -0.58 0.52 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.62 0.00 -0.09 4.83 0.00 -2.00 0.15 103.07 105.35 3m8c h GLY 105 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 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 -2.20 2.58 -0.79 3.60 0.00 -1.26 -4.90 120.51 117.54 3m8c n ALA 106 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3m8c n ALA 106 Cb 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.59 3.91 0.00 0.00 0.53 -5.05 105.19 106.21 3m8c n GLY 107 Ca 0.17 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 3.59 -0.18 1.61 -0.14 -1.26 -4.86 119.74 118.12 3m8c s LYS 108 Ca 0.00 -0.09 -0.29 0.00 -1.36 0.00 0.00 55.97 54.22 3m8c s LYS 108 Cb 0.00 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.46 3m8c s LYS 108 CO 0.00 0.24 1.18 0.08 -0.76 0.00 0.00 175.35 176.09 3m8c s VAL 109 N -2.07 4.42 -1.27 3.17 1.01 -0.59 -0.62 120.40 124.44 3m8c s VAL 109 Ca 0.42 1.71 0.23 0.00 0.00 0.00 0.00 61.98 64.34 3m8c s VAL 109 Cb -0.11 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3m8c s VAL 109 CO 0.31 -0.14 1.10 1.33 0.00 0.00 0.00 175.10 177.70 3m8c n VAL 110 N 5.30 0.00 -3.65 2.92 0.24 -0.03 -1.38 118.33 121.73 3m8c n VAL 110 Ca 0.13 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 3m8c n VAL 110 Cb 0.45 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.59 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 -2.85 -0.85 -0.07 -1.34 0.15 -1.14 -1.63 113.70 105.96 3m8c s SER 111 Ca 0.12 1.42 0.02 0.00 0.70 0.00 0.00 55.95 58.21 3m8c s SER 111 Cb 0.17 1.33 0.02 0.00 -1.71 0.00 0.00 66.02 65.83 3m8c s SER 111 CO 0.75 -0.23 -0.10 -0.32 1.20 0.00 0.00 173.24 174.53 3m8c s MET 112 N 1.29 1.57 -0.07 5.44 0.00 -0.40 -1.43 119.30 125.71 3m8c s MET 112 Ca -0.07 -0.35 0.04 0.00 0.00 0.00 0.00 55.69 55.31 3m8c s MET 112 Cb -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 34.83 33.39 3m8c s MET 112 CO -0.14 -0.05 -0.19 1.03 0.00 0.00 0.00 175.02 175.67 3m8c s ARG 113 N 0.92 2.28 -0.30 4.11 0.52 -0.32 -0.84 118.95 125.32 3m8c s ARG 113 Ca -0.10 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 3m8c s ARG 113 Cb -0.15 -1.83 0.03 0.00 0.52 0.00 0.00 34.95 33.53 3m8c s ARG 113 CO 0.01 0.16 0.04 0.00 0.02 0.00 0.00 175.30 175.53 3m8c s ALA 114 N 0.33 2.93 -0.38 2.13 0.00 -0.25 -0.83 121.76 125.68 3m8c s ALA 114 Ca -0.13 -1.63 -0.13 0.00 0.00 0.00 0.00 51.96 50.08 3m8c s ALA 114 Cb -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.93 3m8c s ALA 114 CO 0.05 -1.13 0.24 -1.17 0.00 0.00 0.00 175.76 173.75 3m8c s LEU 115 N 1.37 4.81 -0.08 0.00 0.20 0.70 -0.42 118.68 125.27 3m8c s LEU 115 Ca -0.01 -0.87 -0.31 0.00 0.69 0.00 0.00 54.13 53.63 3m8c s LEU 115 Cb -0.18 -2.09 0.09 0.00 -0.43 0.00 0.00 46.19 43.58 3m8c s LEU 115 CO 0.00 -0.38 0.77 0.72 -0.29 0.00 0.00 176.35 177.17 3m8c s PHE 116 N 1.62 -0.57 0.03 5.38 -0.71 -1.26 -1.37 117.98 121.10 3m8c s PHE 116 Ca 0.04 0.95 0.00 0.00 -1.04 0.00 0.00 56.93 56.88 3m8c s PHE 116 Cb -0.19 0.43 -0.00 0.00 -1.21 0.00 0.00 43.02 42.05 3m8c s PHE 116 CO 0.08 -0.54 0.01 0.41 -1.34 0.00 0.00 175.22 173.84 3m8c n GLY 117 N 0.81 4.08 0.36 1.99 0.00 -1.26 -4.79 105.19 106.37 3m8c n GLY 117 Ca -0.16 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.87 3m8c n GLY 117 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3m8c h GLU 118 N 0.00 0.96 0.00 1.61 4.57 -2.03 0.34 114.58 120.04 3m8c h GLU 118 Ca -0.03 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3m8c h GLU 118 Cb 0.09 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3m8c h GLU 118 CO 0.04 0.64 0.00 1.63 -1.18 0.00 0.00 179.01 180.14 3m8c n LYS 119 N -4.46 0.77 -0.49 1.92 5.02 -1.26 -1.66 118.16 118.00 3m8c n LYS 119 Ca 0.11 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.49 3m8c n LYS 119 Cb 0.14 -1.42 0.30 0.00 -0.02 0.00 0.00 35.03 34.03 3m8c n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m8c n ASN 120 N -0.92 4.24 -4.35 4.39 4.13 0.12 -4.90 115.26 117.96 3m8c n ASN 120 Ca 0.16 -2.44 -0.34 0.00 1.68 0.00 0.00 54.58 53.64 3m8c n ASN 120 Cb 0.07 -0.50 -0.14 0.00 -1.54 0.00 0.00 39.78 37.67 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 -1.81 3.22 0.25 2.41 1.01 -0.66 -0.69 121.20 124.93 3m8c s ILE 121 Ca 0.44 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3m8c s ILE 121 Cb 0.29 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3m8c s ILE 121 CO 0.21 0.48 0.04 -1.00 0.00 0.00 0.00 174.94 174.67 3m8c s HIS 122 N 0.81 1.61 0.74 3.97 3.76 0.16 -4.96 115.29 121.37 3m8c s HIS 122 Ca -0.03 -1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 53.75 3m8c s HIS 122 Cb -0.15 -0.96 0.04 0.00 1.11 0.00 0.00 32.58 32.62 3m8c s HIS 122 CO 0.01 -0.14 1.08 0.00 -0.85 0.00 0.00 174.74 174.84 3m8c s ALA 123 N -3.52 2.43 0.00 -1.40 0.00 -1.26 -0.10 121.76 117.91 3m8c s ALA 123 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3m8c s ALA 123 Cb 0.07 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3m8c s ALA 123 CO 0.11 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.75