#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inx n LEU 3 N 0.00 3.52 -4.77 3.41 7.94 -0.96 -2.76 117.00 123.38 2inx n LEU 3 Ca 0.00 0.97 -0.36 0.00 -1.11 0.00 0.00 56.01 55.51 2inx n LEU 3 Cb 0.00 -1.39 -0.01 0.00 0.53 0.00 0.00 43.42 42.55 2inx n LEU 3 CO 0.00 -0.03 0.80 -2.16 -1.11 0.00 0.00 177.39 174.88 2inx s PRO 4 N 3.93 3.66 1.05 1.96 0.04 -1.26 -4.96 135.00 139.41 2inx s PRO 4 Ca 0.91 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 2inx s PRO 4 Cb -0.66 -2.26 0.21 0.00 0.04 0.00 0.00 34.50 31.84 2inx s PRO 4 CO 0.50 -0.61 1.10 0.95 0.04 0.00 0.00 177.00 178.98 2inx s THR 5 N -1.66 1.91 0.26 1.26 -4.23 -1.26 -3.99 115.64 107.92 2inx s THR 5 Ca 0.67 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.14 2inx s THR 5 Cb -0.26 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.33 2inx s THR 5 CO 0.30 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.27 2inx h ALA 6 N -2.07 1.33 -0.59 3.99 0.00 -1.93 0.23 119.26 120.23 2inx h ALA 6 Ca -0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 2inx h ALA 6 Cb 1.32 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2inx h ALA 6 CO 0.52 0.45 0.18 1.96 0.00 0.00 0.00 179.25 182.36 2inx h GLN 7 N 1.17 0.92 -0.33 0.00 4.20 -1.91 -2.11 115.11 117.05 2inx h GLN 7 Ca 0.41 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 2inx h GLN 7 Cb 0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2inx h GLN 7 CO -0.16 0.82 -0.28 0.93 -0.67 0.00 0.00 178.83 179.48 2inx h GLU 8 N 0.84 0.68 -0.56 1.46 5.08 -1.60 -2.45 114.58 118.03 2inx h GLU 8 Ca 0.19 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2inx h GLU 8 Cb 0.29 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2inx h GLU 8 CO -0.01 0.88 0.29 0.28 -1.00 0.00 0.00 179.01 179.45 2inx h VAL 9 N 0.59 0.94 -0.42 3.13 2.07 -0.37 0.90 116.25 123.09 2inx h VAL 9 Ca 0.07 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2inx h VAL 9 Cb 0.78 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2inx h VAL 9 CO 0.06 0.10 0.25 1.56 0.02 0.00 0.00 177.57 179.56 2inx h GLN 10 N 0.54 0.48 -0.61 1.57 4.20 -1.12 -0.00 115.11 120.17 2inx h GLN 10 Ca 0.25 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2inx h GLN 10 Cb 0.17 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2inx h GLN 10 CO -0.18 0.32 0.24 0.78 -0.67 0.00 0.00 178.83 179.32 2inx h GLY 11 N 0.50 0.99 0.98 3.46 0.00 -0.95 -1.60 103.07 106.44 2inx h GLY 11 Ca 0.17 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2inx h GLY 11 CO -0.08 0.51 -0.01 1.41 0.00 0.00 0.00 176.54 178.36 2inx h LEU 12 N 0.85 0.78 -0.53 3.11 3.38 -0.50 0.37 115.31 122.78 2inx h LEU 12 Ca 0.20 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 2inx h LEU 12 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2inx h LEU 12 CO -0.02 0.91 -0.47 0.24 0.09 0.00 0.00 178.44 179.19 2inx h MET 13 N 0.63 0.66 -0.47 1.13 2.86 -1.01 0.21 114.93 118.95 2inx h MET 13 Ca 0.12 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 2inx h MET 13 Cb 0.51 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2inx h MET 13 CO 0.03 0.99 -0.01 0.00 1.06 0.00 0.00 176.91 178.97 2inx h ALA 14 N 0.95 1.10 -0.11 6.32 0.00 -1.14 -2.48 119.26 123.90 2inx h ALA 14 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2inx h ALA 14 Cb 1.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2inx h ALA 14 CO 0.09 0.57 -0.03 -0.09 0.00 0.00 0.00 179.25 179.79 2inx h ARG 15 N 0.73 -0.01 -0.49 0.00 2.43 -0.54 -1.12 114.38 115.38 2inx h ARG 15 Ca 0.14 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.41 2inx h ARG 15 Cb 0.46 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.93 2inx h ARG 15 CO 0.02 -0.00 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.52 2inx h TYR 16 N -0.01 -0.11 -0.62 2.20 3.20 -0.72 -0.20 116.97 120.72 2inx h TYR 16 Ca 0.05 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 2inx h TYR 16 Cb 0.09 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2inx h TYR 16 CO -0.16 -0.15 0.16 0.82 -1.64 0.00 0.00 178.16 177.20 2inx h ILE 17 N 0.07 1.24 -0.85 1.81 1.08 -0.97 -1.17 117.51 118.73 2inx h ILE 17 Ca 0.24 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.89 2inx h ILE 17 Cb 0.37 0.59 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 2inx h ILE 17 CO -0.44 0.33 0.56 -0.33 -0.69 0.00 0.00 178.15 177.58 2inx h GLU 18 N 0.92 0.96 -0.02 2.37 4.39 -0.29 -0.18 114.58 122.75 2inx h GLU 18 Ca 0.20 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.65 2inx h GLU 18 Cb 0.31 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2inx h GLU 18 CO -0.00 0.64 -0.82 -0.07 -1.16 0.00 0.00 179.01 177.60 2inx h LEU 19 N 0.99 0.30 -0.32 1.33 3.38 -0.27 -1.42 115.31 119.31 2inx h LEU 19 Ca 0.35 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2inx h LEU 19 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2inx h LEU 19 CO -0.12 1.00 0.20 0.58 0.09 0.00 0.00 178.44 180.18 2inx h VAL 20 N 0.15 1.06 -0.67 1.22 2.07 -0.97 -0.37 116.25 118.73 2inx h VAL 20 Ca -0.04 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2inx h VAL 20 Cb 1.42 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2inx h VAL 20 CO 0.13 0.07 0.40 -0.78 0.02 0.00 0.00 177.57 177.41 2inx h ASP 21 N 0.40 0.64 1.49 0.57 3.58 -0.70 -1.97 116.42 120.44 2inx h ASP 21 Ca 0.12 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 2inx h ASP 21 Cb -0.03 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2inx h ASP 21 CO -0.04 0.43 -0.45 -0.37 -2.88 0.00 0.00 179.24 175.94 2inx h VAL 22 N 0.77 0.78 -0.30 2.25 -1.51 -1.23 -3.42 116.25 113.59 2inx h VAL 22 Ca 0.28 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 2inx h VAL 22 Cb 0.08 2.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2inx h VAL 22 CO -0.13 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.26 2inx n GLY 23 N 1.14 0.84 3.48 5.19 0.00 -0.21 -5.00 105.19 110.62 2inx n GLY 23 Ca 0.02 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2inx n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2inx s ASP 24 N -2.77 6.62 0.08 1.61 -1.08 -0.85 -4.86 116.67 115.42 2inx s ASP 24 Ca 0.00 -1.94 -0.24 0.00 -0.52 0.00 0.00 52.55 49.84 2inx s ASP 24 Cb 0.00 -2.44 -0.16 0.00 -1.46 0.00 0.00 42.92 38.86 2inx s ASP 24 CO 0.00 -1.16 1.69 0.40 0.52 0.00 0.00 175.17 176.62 2inx h ILE 25 N 6.02 0.95 -0.85 4.11 1.08 -1.95 -0.54 117.51 126.33 2inx h ILE 25 Ca 0.18 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.66 2inx h ILE 25 Cb 1.01 1.01 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 2inx h ILE 25 CO 1.19 0.02 0.50 1.05 -0.69 0.00 0.00 178.15 180.23 2inx h GLU 26 N -0.13 0.82 -0.11 2.37 4.11 -1.98 -0.00 114.58 119.65 2inx h GLU 26 Ca -0.01 -0.05 -0.18 0.00 0.07 0.00 0.00 59.36 59.19 2inx h GLU 26 Cb 0.11 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2inx h GLU 26 CO 0.02 0.54 -0.67 0.00 0.07 0.00 0.00 179.01 178.96 2inx h ALA 27 N 1.46 0.63 -0.42 1.06 0.00 -1.86 -1.94 119.26 118.19 2inx h ALA 27 Ca 0.41 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2inx h ALA 27 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2inx h ALA 27 CO -0.24 0.73 0.12 0.82 0.00 0.00 0.00 179.25 180.68 2inx h ILE 28 N 0.33 1.22 -0.63 0.00 2.04 -0.36 -2.92 117.51 117.19 2inx h ILE 28 Ca -0.02 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 2inx h ILE 28 Cb 1.24 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2inx h ILE 28 CO 0.12 0.27 0.22 0.58 0.00 0.00 0.00 178.15 179.33 2inx h VAL 29 N 0.54 1.23 -0.22 1.67 2.07 -0.88 -0.93 116.25 119.74 2inx h VAL 29 Ca 0.14 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.94 2inx h VAL 29 Cb 0.28 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2inx h VAL 29 CO -0.00 0.30 0.16 1.56 0.02 0.00 0.00 177.57 179.61 2inx h GLN 30 N 0.93 0.02 0.00 1.57 4.20 -1.17 -1.77 115.11 118.89 2inx h GLN 30 Ca 0.21 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2inx h GLN 30 Cb 0.24 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2inx h GLN 30 CO -0.01 0.02 -0.16 0.52 -0.67 0.00 0.00 178.83 178.52 2inx h MET 31 N 0.02 0.00 -6.78 1.46 2.86 -0.99 -3.44 114.93 108.06 2inx h MET 31 Ca 0.10 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.25 2inx h MET 31 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2inx h MET 31 CO -0.00 0.16 0.12 0.71 1.06 0.00 0.00 176.91 178.96 2inx s TYR 32 N -3.85 3.39 0.81 -0.22 2.02 -0.67 -0.28 117.35 118.55 2inx s TYR 32 Ca -0.01 1.20 -0.12 0.00 -0.37 0.00 0.00 57.07 57.77 2inx s TYR 32 Cb 0.11 -2.54 0.08 0.00 -0.40 0.00 0.00 41.96 39.22 2inx s TYR 32 CO 0.60 0.03 1.17 0.00 -1.57 0.00 0.00 175.55 175.78 2inx s ALA 33 N -2.10 1.87 0.50 3.71 0.00 0.94 -4.72 121.76 121.97 2inx s ALA 33 Ca 0.54 0.70 0.21 0.00 0.00 0.00 0.00 51.96 53.41 2inx s ALA 33 Cb -0.10 -3.44 1.37 0.00 0.00 0.00 0.00 23.12 20.95 2inx s ALA 33 CO 0.21 -2.23 2.12 0.38 0.00 0.00 0.00 175.76 176.24 2inx h ASP 34 N -1.03 0.00 -0.07 0.00 2.03 -1.93 -2.41 116.42 113.00 2inx h ASP 34 Ca -0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2inx h ASP 34 Cb 1.28 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.76 2inx h ASP 34 CO 0.46 0.07 -0.18 -0.90 -1.03 0.00 0.00 179.24 177.67 2inx n ASP 35 N -4.16 2.32 -4.61 4.15 5.75 -1.26 -1.57 116.55 117.17 2inx n ASP 35 Ca -0.03 -3.44 -0.31 0.00 -0.01 0.00 0.00 54.79 51.00 2inx n ASP 35 Cb 0.15 -0.50 0.17 0.00 -1.03 0.00 0.00 41.12 39.91 2inx n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2inx n ALA 36 N -1.19 -1.32 -2.41 2.12 0.00 -0.91 -4.31 120.51 112.49 2inx n ALA 36 Ca 0.20 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2inx n ALA 36 Cb 0.73 -2.11 -0.13 0.00 0.00 0.00 0.00 19.45 17.94 2inx n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2inx s THR 37 N -2.58 2.50 -0.11 0.00 -4.23 -0.61 -0.83 115.64 109.79 2inx s THR 37 Ca 0.65 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 2inx s THR 37 Cb -0.23 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2inx s THR 37 CO 0.60 0.32 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.12 2inx s VAL 38 N -0.90 1.76 -0.36 2.29 1.01 -0.60 -1.41 120.40 122.19 2inx s VAL 38 Ca 0.14 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2inx s VAL 38 Cb -0.10 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.78 2inx s VAL 38 CO 0.04 0.49 0.13 -1.61 0.00 0.00 0.00 175.10 174.16 2inx s GLU 39 N 0.74 2.45 -0.27 2.72 2.02 0.11 -0.74 118.70 125.71 2inx s GLU 39 Ca -0.11 -1.39 -0.00 0.00 0.02 0.00 0.00 54.97 53.49 2inx s GLU 39 Cb -0.16 -3.48 0.14 0.00 0.10 0.00 0.00 34.13 30.73 2inx s GLU 39 CO 0.02 -0.80 0.35 1.21 0.02 0.00 0.00 175.26 176.06 2inx s ASN 40 N 1.60 0.84 0.59 -0.19 3.84 -1.26 -0.59 114.94 119.77 2inx s ASN 40 Ca 0.00 -0.35 -0.16 0.00 0.21 0.00 0.00 52.86 52.56 2inx s ASN 40 Cb -0.21 0.86 -0.04 0.00 -0.55 0.00 0.00 41.25 41.31 2inx s ASN 40 CO 0.00 -0.35 1.05 -2.16 -2.79 0.00 0.00 177.10 172.85 2inx s PRO 41 N 2.47 3.37 0.20 0.43 0.04 -1.26 -4.97 135.00 135.27 2inx s PRO 41 Ca 0.10 1.19 -0.33 0.00 0.04 0.00 0.00 61.00 62.00 2inx s PRO 41 Cb -0.14 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 2inx s PRO 41 CO -0.26 -0.77 1.46 0.34 0.04 0.00 0.00 177.00 177.81 2inx n PHE 42 N -1.98 2.13 0.00 0.56 7.35 0.12 -1.78 117.46 123.86 2inx n PHE 42 Ca 0.09 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2inx n PHE 42 Cb 0.53 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.88 2inx n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2inx n GLY 43 N 2.67 2.37 3.96 7.13 0.00 -1.26 -4.87 105.19 115.19 2inx n GLY 43 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2inx n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2inx s GLN 44 N -0.23 3.46 0.44 1.61 -1.52 -0.73 -5.06 119.66 117.63 2inx s GLN 44 Ca 0.00 -0.58 -0.25 0.00 -1.95 0.00 0.00 55.36 52.57 2inx s GLN 44 Cb 0.00 -2.82 -0.08 0.00 -0.22 0.00 0.00 33.01 29.89 2inx s GLN 44 CO 0.00 0.34 1.39 -2.14 -0.25 0.00 0.00 175.29 174.63 2inx s PRO 45 N -4.00 3.74 0.60 2.91 0.02 -1.26 -4.75 135.00 132.25 2inx s PRO 45 Ca 0.36 2.34 -0.19 0.00 0.02 0.00 0.00 61.00 63.53 2inx s PRO 45 Cb -0.09 -2.66 -0.03 0.00 0.02 0.00 0.00 34.50 31.73 2inx s PRO 45 CO 0.31 -0.75 1.27 -2.14 -0.33 0.00 0.00 177.00 175.36 2inx s PRO 46 N -2.42 2.89 0.08 5.54 0.02 -1.26 -4.76 135.00 135.09 2inx s PRO 46 Ca 0.60 1.99 0.03 0.00 0.02 0.00 0.00 61.00 63.65 2inx s PRO 46 Cb -0.42 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 2inx s PRO 46 CO 0.54 -1.32 0.09 0.96 -0.33 0.00 0.00 177.00 176.94 2inx s ILE 47 N -1.46 4.58 -0.08 2.83 -4.36 0.08 -4.94 121.20 117.85 2inx s ILE 47 Ca 0.78 -0.76 0.02 0.00 -0.26 0.00 0.00 60.65 60.43 2inx s ILE 47 Cb -0.35 -3.21 0.01 0.00 1.25 0.00 0.00 42.46 40.16 2inx s ILE 47 CO 0.38 0.11 -0.14 -1.00 0.24 0.00 0.00 174.94 174.54 2inx s HIS 48 N -1.41 1.68 0.00 1.37 3.76 -1.26 -1.56 115.29 117.87 2inx s HIS 48 Ca 0.30 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2inx s HIS 48 Cb -0.12 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.35 2inx s HIS 48 CO 0.22 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 2inx n GLY 49 N 3.91 0.75 0.33 -2.22 0.00 -0.01 -4.28 105.19 103.67 2inx n GLY 49 Ca -0.21 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.13 2inx n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2inx h ARG 50 N 0.00 0.81 -0.01 1.61 3.08 -1.53 -1.15 114.38 117.19 2inx h ARG 50 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2inx h ARG 50 Cb 0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2inx h ARG 50 CO 0.00 0.57 0.01 1.49 -1.07 0.00 0.00 179.97 180.97 2inx h GLU 51 N 0.82 0.02 -0.75 0.04 4.81 -1.87 0.12 114.58 117.78 2inx h GLU 51 Ca 0.22 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2inx h GLU 51 Cb -0.03 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2inx h GLU 51 CO -0.04 0.15 0.24 1.96 -0.73 0.00 0.00 179.01 180.59 2inx h GLN 52 N -0.12 1.17 -0.32 1.92 4.20 -1.63 -1.70 115.11 118.63 2inx h GLN 52 Ca 0.00 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 2inx h GLN 52 Cb 0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2inx h GLN 52 CO -0.00 0.99 0.05 0.82 -0.67 0.00 0.00 178.83 180.02 2inx h ILE 53 N 1.12 1.23 -0.71 2.54 2.04 -1.11 -0.78 117.51 121.84 2inx h ILE 53 Ca 0.24 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.37 2inx h ILE 53 Cb 0.30 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 2inx h ILE 53 CO -0.01 0.27 0.38 0.00 0.00 0.00 0.00 178.15 178.79 2inx h ALA 54 N 0.89 0.98 -0.85 1.87 0.00 -0.53 -1.58 119.26 120.04 2inx h ALA 54 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2inx h ALA 54 Cb 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2inx h ALA 54 CO 0.01 0.02 0.52 0.00 0.00 0.00 0.00 179.25 179.80 2inx h ALA 55 N 1.40 1.08 0.07 0.00 0.00 -0.90 0.53 119.26 121.44 2inx h ALA 55 Ca 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2inx h ALA 55 Cb 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2inx h ALA 55 CO -0.23 0.53 -0.03 0.35 0.00 0.00 0.00 179.25 179.87 2inx h PHE 56 N 1.16 -0.08 -0.45 0.00 3.57 -0.70 -2.20 116.94 118.24 2inx h PHE 56 Ca 0.31 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 2inx h PHE 56 Cb -0.06 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2inx h PHE 56 CO -0.00 -0.01 -0.18 1.88 -2.23 0.00 0.00 178.31 177.77 2inx h TYR 57 N -0.14 0.99 -0.85 0.41 0.05 -1.02 -0.89 116.97 115.52 2inx h TYR 57 Ca -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 2inx h TYR 57 Cb 0.11 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 2inx h TYR 57 CO -0.06 0.98 0.48 -0.09 -1.05 0.00 0.00 178.16 178.42 2inx h ARG 58 N 0.77 1.17 0.00 4.88 2.43 -0.83 0.46 114.38 123.26 2inx h ARG 58 Ca 0.11 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 2inx h ARG 58 Cb 0.71 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2inx h ARG 58 CO 0.05 0.84 -0.98 -0.56 -1.51 0.00 0.00 179.97 177.82 2inx h GLN 59 N 1.17 0.00 0.06 0.20 3.07 -1.26 -3.26 115.11 115.09 2inx h GLN 59 Ca 0.30 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.80 2inx h GLN 59 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 2inx h GLN 59 CO -0.05 0.98 -1.07 0.78 0.09 0.00 0.00 178.83 179.55 2inx h GLY 60 N 3.02 0.29 -5.69 0.06 0.00 -0.86 -3.51 103.07 96.39 2inx h GLY 60 Ca -0.01 -0.63 -0.66 0.00 0.00 0.00 0.00 47.33 46.03 2inx h GLY 60 CO 0.13 0.56 -0.52 1.08 0.00 0.00 0.00 176.54 177.78 2inx s LEU 61 N -7.30 4.12 -0.18 3.11 1.43 0.16 -5.07 118.68 114.95 2inx s LEU 61 Ca -0.04 0.32 -0.33 0.00 -1.03 0.00 0.00 54.13 53.05 2inx s LEU 61 Cb 0.08 -2.00 -0.10 0.00 0.03 0.00 0.00 46.19 44.20 2inx s LEU 61 CO 0.86 0.35 2.03 1.17 0.23 0.00 0.00 176.35 180.99 2inx n LYS 65 N 2.38 1.89 -4.76 1.70 4.81 -1.26 -5.07 118.16 117.85 2inx n LYS 65 Ca -0.19 0.63 -0.24 0.00 -0.87 0.00 0.00 58.31 57.64 2inx n LYS 65 Cb 0.54 -2.73 -0.15 0.00 0.02 0.00 0.00 35.03 32.71 2inx n LYS 65 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2inx s VAL 66 N 5.74 1.28 0.07 3.15 1.01 -1.26 -4.33 120.40 126.05 2inx s VAL 66 Ca 0.98 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.35 2inx s VAL 66 Cb -0.65 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2inx s VAL 66 CO 0.48 0.36 -0.14 -0.60 0.00 0.00 0.00 175.10 175.20 2inx s ARG 67 N -0.30 2.12 -0.14 2.72 3.52 -0.62 -4.75 118.95 121.50 2inx s ARG 67 Ca 0.05 -0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 54.54 2inx s ARG 67 Cb -0.07 -2.26 0.04 0.00 -1.56 0.00 0.00 34.95 31.10 2inx s ARG 67 CO -0.00 0.53 0.37 0.00 -0.81 0.00 0.00 175.30 175.38 2inx s ALA 68 N -1.07 -0.91 0.01 6.12 0.00 -1.26 -0.71 121.76 123.94 2inx s ALA 68 Ca 0.18 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 2inx s ALA 68 Cb -0.11 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.38 2inx s ALA 68 CO 0.09 -0.19 0.36 0.00 0.00 0.00 0.00 175.76 176.02 2inx s LEU 70 N -1.61 4.35 -0.08 0.00 1.43 -1.26 -1.44 118.68 120.08 2inx s LEU 70 Ca -0.10 2.93 0.11 0.00 -1.03 0.00 0.00 54.13 56.05 2inx s LEU 70 Cb -0.03 -3.65 0.27 0.00 0.03 0.00 0.00 46.19 42.81 2inx s LEU 70 CO 0.02 -0.80 1.20 0.35 0.23 0.00 0.00 176.35 177.34 2inx n THR 71 N 1.00 1.53 0.00 5.49 -2.24 -0.55 -4.86 114.28 114.65 2inx n THR 71 Ca 0.03 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 2inx n THR 71 Cb 0.39 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2inx n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2inx n GLY 72 N -0.50 -0.94 3.79 3.38 0.00 -1.25 -4.97 105.19 104.71 2inx n GLY 72 Ca 0.12 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2inx n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2inx s PRO 73 N -2.00 3.08 0.15 1.61 0.04 -1.26 -4.57 135.00 132.05 2inx s PRO 73 Ca 0.00 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.96 2inx s PRO 73 Cb 0.00 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2inx s PRO 73 CO 0.00 -1.00 1.34 0.08 0.04 0.00 0.00 177.00 177.45 2inx s VAL 74 N -2.51 3.31 -0.32 -0.36 1.01 -1.26 -4.50 120.40 115.77 2inx s VAL 74 Ca 0.64 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 2inx s VAL 74 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2inx s VAL 74 CO 0.41 0.11 0.21 -0.13 0.00 0.00 0.00 175.10 175.70 2inx s ARG 75 N 0.53 3.55 0.06 2.72 3.00 0.03 -4.95 118.95 123.89 2inx s ARG 75 Ca 0.60 -0.60 0.06 0.00 0.00 0.00 0.00 55.73 55.80 2inx s ARG 75 Cb -0.36 -3.72 -0.04 0.00 0.00 0.00 0.00 34.95 30.83 2inx s ARG 75 CO 0.34 -0.39 -0.13 0.00 0.00 0.00 0.00 175.30 175.12 2inx s ALA 76 N 1.71 2.82 0.57 2.13 0.00 -1.26 -0.66 121.76 127.07 2inx s ALA 76 Ca 0.06 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 50.92 2inx s ALA 76 Cb -0.17 -0.87 0.10 0.00 0.00 0.00 0.00 23.12 22.18 2inx s ALA 76 CO 0.10 0.61 0.79 -1.13 0.00 0.00 0.00 175.76 176.12 2inx n SER 77 N 1.16 2.07 -1.45 0.00 3.41 0.21 -4.97 113.62 114.05 2inx n SER 77 Ca -0.15 -2.51 0.10 0.00 -0.26 0.00 0.00 58.87 56.05 2inx n SER 77 Cb 0.52 -0.42 0.33 0.00 -0.26 0.00 0.00 64.21 64.39 2inx n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2inx n HIS 78 N -2.24 1.23 -1.74 7.33 8.25 -1.26 -3.83 115.22 122.96 2inx n HIS 78 Ca 0.16 -0.53 -0.01 0.00 -0.26 0.00 0.00 57.72 57.08 2inx n HIS 78 Cb 0.59 -0.14 0.16 0.00 1.12 0.00 0.00 29.99 31.72 2inx n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2inx n ASN 79 N 1.30 2.45 -0.56 0.41 2.04 -1.26 -4.95 115.26 114.68 2inx n ASN 79 Ca 0.24 -3.79 -0.06 0.00 -0.44 0.00 0.00 54.58 50.53 2inx n ASN 79 Cb 0.75 -0.48 -0.02 0.00 -2.53 0.00 0.00 39.78 37.50 2inx n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2inx n GLY 80 N -0.97 0.65 3.43 4.83 0.00 -1.26 -4.86 105.19 107.02 2inx n GLY 80 Ca 0.24 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2inx n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2inx s GLY 82 N -3.45 0.07 -0.02 0.00 0.00 -0.39 -0.62 107.32 102.90 2inx s GLY 82 Ca 0.28 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 2inx s GLY 82 CO 0.12 0.27 0.11 0.00 0.00 0.00 0.00 173.10 173.60 2inx s ALA 83 N -2.96 -0.26 -0.02 3.20 0.00 0.17 -0.64 121.76 121.24 2inx s ALA 83 Ca 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 2inx s ALA 83 Cb -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2inx s ALA 83 CO 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 175.76 175.85 2inx s MET 84 N -0.57 0.34 -0.07 0.00 0.23 -0.47 -0.79 119.30 117.98 2inx s MET 84 Ca -0.07 -0.15 -0.05 0.00 -1.03 0.00 0.00 55.69 54.39 2inx s MET 84 Cb -0.04 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 2inx s MET 84 CO 0.00 -0.07 0.14 -1.25 -2.03 0.00 0.00 175.02 171.82 2inx s PRO 85 N -0.77 3.39 0.27 3.16 0.04 -1.26 -1.69 135.00 138.13 2inx s PRO 85 Ca -0.09 -0.25 -0.14 0.00 0.04 0.00 0.00 61.00 60.57 2inx s PRO 85 Cb -0.05 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.39 2inx s PRO 85 CO 0.01 0.73 0.55 -0.59 0.04 0.00 0.00 177.00 177.74 2inx s PHE 86 N -1.15 0.25 -0.03 0.56 -0.71 0.06 -1.49 117.98 115.48 2inx s PHE 86 Ca 0.20 -0.65 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 2inx s PHE 86 Cb -0.12 0.34 -0.00 0.00 -1.21 0.00 0.00 43.02 42.02 2inx s PHE 86 CO 0.10 -1.09 -0.13 0.50 -1.34 0.00 0.00 175.22 173.26 2inx s ARG 87 N -3.85 1.31 -0.12 1.99 3.52 -0.52 -0.99 118.95 120.29 2inx s ARG 87 Ca 0.20 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2inx s ARG 87 Cb -0.02 -1.19 -0.01 0.00 -1.56 0.00 0.00 34.95 32.17 2inx s ARG 87 CO 0.09 0.19 -0.17 0.08 -0.81 0.00 0.00 175.30 174.68 2inx s VAL 88 N 0.06 2.64 -0.10 7.11 1.01 -0.15 -1.59 120.40 129.38 2inx s VAL 88 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2inx s VAL 88 Cb -0.09 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2inx s VAL 88 CO 0.01 0.54 -0.07 -1.61 0.00 0.00 0.00 175.10 173.97 2inx s GLU 89 N 0.41 3.13 0.34 2.72 2.02 0.11 -0.65 118.70 126.79 2inx s GLU 89 Ca -0.13 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 2inx s GLU 89 Cb -0.17 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.38 2inx s GLU 89 CO 0.06 0.47 0.54 0.00 0.02 0.00 0.00 175.26 176.35 2inx n MET 90 N 2.81 0.77 -5.02 1.61 0.00 -0.14 -1.59 117.12 115.56 2inx n MET 90 Ca -0.18 -2.46 -0.28 0.00 0.00 0.00 0.00 57.70 54.79 2inx n MET 90 Cb 0.53 2.54 -0.16 0.00 0.00 0.00 0.00 33.22 36.13 2inx n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2inx s VAL 91 N -2.61 1.66 -0.42 3.17 1.01 -1.26 -0.09 120.40 121.86 2inx s VAL 91 Ca 0.24 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.38 2inx s VAL 91 Cb -0.02 -1.40 0.18 0.00 0.00 0.00 0.00 36.38 35.14 2inx s VAL 91 CO 0.17 0.47 0.38 1.87 0.00 0.00 0.00 175.10 177.99 2inx n TRP 92 N 2.78 -0.60 -1.38 5.22 -0.00 0.08 -4.86 117.44 118.68 2inx n TRP 92 Ca -0.16 -3.40 0.00 0.00 -0.00 0.00 0.00 57.50 53.94 2inx n TRP 92 Cb 0.53 0.12 0.00 0.00 -0.00 0.00 0.00 31.31 31.96 2inx n TRP 92 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2inx n ASN 93 N 2.56 -1.77 0.00 5.87 5.03 -1.26 -4.15 115.26 121.54 2inx n ASN 93 Ca 0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.73 2inx n ASN 93 Cb 0.48 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 2inx n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2inx n GLY 94 N -1.28 0.96 3.59 7.41 0.00 -1.26 -4.91 105.19 109.70 2inx n GLY 94 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2inx n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2inx s GLN 95 N 0.00 3.87 0.55 1.61 -0.21 -1.26 -5.07 119.66 119.15 2inx s GLN 95 Ca 0.00 0.09 -0.20 0.00 0.02 0.00 0.00 55.36 55.27 2inx s GLN 95 Cb 0.00 -3.72 -0.05 0.00 1.00 0.00 0.00 33.01 30.24 2inx s GLN 95 CO 0.00 -0.48 1.24 -1.25 -2.12 0.00 0.00 175.29 172.68 2inx s PRO 96 N 2.35 3.18 0.24 2.91 0.04 -1.26 -0.74 135.00 141.71 2inx s PRO 96 Ca 0.20 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 2inx s PRO 96 Cb -0.15 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2inx s PRO 96 CO 0.11 -1.07 0.61 0.00 0.04 0.00 0.00 177.00 176.70 2inx s ALA 98 N -3.90 1.18 -0.06 0.00 0.00 0.20 -0.97 121.76 118.22 2inx s ALA 98 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2inx s ALA 98 Cb -0.03 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2inx s ALA 98 CO 0.02 -0.01 -0.03 -1.17 0.00 0.00 0.00 175.76 174.57 2inx s LEU 99 N -2.43 1.08 -0.12 0.00 2.96 0.18 -0.44 118.68 119.92 2inx s LEU 99 Ca 0.06 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 2inx s LEU 99 Cb -0.03 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 2inx s LEU 99 CO 0.01 -0.10 0.46 -1.81 -1.32 0.00 0.00 176.35 173.59 2inx s ASP 100 N 1.30 6.68 0.03 3.68 1.01 -0.63 -0.98 116.67 127.75 2inx s ASP 100 Ca -0.05 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.02 2inx s ASP 100 Cb -0.14 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2inx s ASP 100 CO -0.02 0.02 -0.04 -0.69 0.21 0.00 0.00 175.17 174.64 2inx s VAL 101 N 0.55 0.23 -0.14 -1.27 1.01 -0.16 -4.75 120.40 115.87 2inx s VAL 101 Ca 0.25 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2inx s VAL 101 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.77 2inx s VAL 101 CO 0.10 -0.52 -0.21 -0.63 0.00 0.00 0.00 175.10 173.84 2inx s ILE 102 N -1.69 2.02 -0.10 2.22 1.01 -0.82 -0.76 121.20 123.08 2inx s ILE 102 Ca -0.12 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 2inx s ILE 102 Cb -0.08 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2inx s ILE 102 CO -0.01 0.54 0.21 -1.81 0.00 0.00 0.00 174.94 173.86 2inx s ASP 103 N 0.86 6.48 -0.15 3.58 1.01 -0.68 -0.06 116.67 127.69 2inx s ASP 103 Ca -0.06 0.57 -0.03 0.00 0.71 0.00 0.00 52.55 53.74 2inx s ASP 103 Cb -0.15 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 2inx s ASP 103 CO -0.03 0.36 -0.06 -0.69 0.21 0.00 0.00 175.17 174.97 2inx s VAL 104 N -0.87 3.70 0.00 -1.27 1.01 0.25 -1.37 120.40 121.85 2inx s VAL 104 Ca 0.17 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2inx s VAL 104 Cb -0.13 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2inx s VAL 104 CO 0.06 0.50 -0.12 -0.04 0.00 0.00 0.00 175.10 175.50 2inx s MET 105 N 0.38 0.89 -0.14 2.72 -1.94 0.19 -0.73 119.30 120.68 2inx s MET 105 Ca -0.05 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 2inx s MET 105 Cb -0.15 -0.86 -0.01 0.00 2.01 0.00 0.00 34.83 35.82 2inx s MET 105 CO 0.03 0.23 -0.14 0.50 -0.01 0.00 0.00 175.02 175.63 2inx s ARG 106 N -0.52 3.32 0.24 2.03 3.52 -0.27 -1.27 118.95 126.00 2inx s ARG 106 Ca 0.03 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 2inx s ARG 106 Cb -0.05 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2inx s ARG 106 CO 0.00 0.14 0.44 -0.06 -0.81 0.00 0.00 175.30 175.01 2inx s PHE 107 N 0.52 3.48 0.52 5.12 0.40 0.62 -0.26 117.98 128.38 2inx s PHE 107 Ca -0.09 0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.68 2inx s PHE 107 Cb -0.16 -1.90 0.09 0.00 0.51 0.00 0.00 43.02 41.56 2inx s PHE 107 CO 0.04 0.31 0.71 -0.40 0.70 0.00 0.00 175.22 176.58 2inx n ASP 108 N -0.85 1.53 0.00 1.36 5.68 0.87 -4.76 116.55 120.37 2inx n ASP 108 Ca -0.04 -2.15 0.07 0.00 -0.50 0.00 0.00 54.79 52.17 2inx n ASP 108 Cb 0.54 -0.41 0.37 0.00 -1.14 0.00 0.00 41.12 40.48 2inx n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2inx n GLU 109 N -2.19 0.21 -0.10 0.11 0.00 -1.26 -1.01 120.64 116.39 2inx n GLU 109 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 57.16 57.53 2inx n GLU 109 Cb 0.49 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.57 2inx n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2inx n HIS 110 N -1.29 0.27 -1.06 -1.84 8.25 -1.26 -2.26 115.22 116.03 2inx n HIS 110 Ca 0.07 -0.18 -0.02 0.00 -0.26 0.00 0.00 57.72 57.33 2inx n HIS 110 Cb 0.12 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 2inx n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2inx n GLY 111 N 1.07 0.55 3.70 -1.41 0.00 -0.18 -4.59 105.19 104.33 2inx n GLY 111 Ca 0.14 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 2inx n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2inx s ARG 112 N -1.70 2.53 -0.16 1.61 0.52 -1.26 -4.82 118.95 115.67 2inx s ARG 112 Ca 0.00 -1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 2inx s ARG 112 Cb 0.00 -2.39 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 2inx s ARG 112 CO 0.00 0.44 1.40 0.42 0.02 0.00 0.00 175.30 177.58 2inx s ILE 113 N -1.89 4.03 -0.10 1.52 1.01 0.61 -0.09 121.20 126.30 2inx s ILE 113 Ca 0.29 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 2inx s ILE 113 Cb -0.09 -3.86 -0.28 0.00 0.01 0.00 0.00 42.46 38.25 2inx s ILE 113 CO 0.20 -0.18 0.49 -0.61 0.00 0.00 0.00 174.94 174.85 2inx h GLN 114 N 8.93 0.29 -4.02 2.79 5.75 -0.93 0.27 115.11 128.20 2inx h GLN 114 Ca -0.30 -0.50 -0.23 0.00 -0.15 0.00 0.00 58.65 57.47 2inx h GLN 114 Cb 1.13 0.19 -0.25 0.00 1.07 0.00 0.00 27.48 29.61 2inx h GLN 114 CO 0.98 1.24 -0.72 0.95 -2.65 0.00 0.00 178.83 178.63 2inx s THR 115 N -2.54 0.17 -0.02 2.39 -4.23 -0.97 -1.57 115.64 108.87 2inx s THR 115 Ca -0.20 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 2inx s THR 115 Cb 0.06 -0.23 0.00 0.00 1.34 0.00 0.00 72.50 73.67 2inx s THR 115 CO 0.79 -0.22 -0.08 -0.32 -0.54 0.00 0.00 174.62 174.25 2inx s MET 116 N -0.77 0.76 -0.15 3.99 1.75 -0.50 -1.11 119.30 123.28 2inx s MET 116 Ca -0.07 -0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 2inx s MET 116 Cb -0.05 -0.73 0.02 0.00 2.84 0.00 0.00 34.83 36.91 2inx s MET 116 CO -0.00 0.11 -0.14 -0.65 -0.65 0.00 0.00 175.02 173.68 2inx s GLN 117 N 0.12 2.30 -0.37 4.11 -0.21 0.09 -0.72 119.66 124.97 2inx s GLN 117 Ca -0.01 -0.56 -0.09 0.00 0.02 0.00 0.00 55.36 54.72 2inx s GLN 117 Cb -0.07 -2.10 0.04 0.00 1.00 0.00 0.00 33.01 31.89 2inx s GLN 117 CO 0.00 -0.23 0.19 0.00 -2.12 0.00 0.00 175.29 173.13 2inx s ALA 118 N 1.46 3.21 -0.25 6.09 0.00 0.24 -0.59 121.76 131.93 2inx s ALA 118 Ca 0.04 -1.83 -0.26 0.00 0.00 0.00 0.00 51.96 49.92 2inx s ALA 118 Cb -0.13 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2inx s ALA 118 CO -0.10 -1.44 0.89 0.71 0.00 0.00 0.00 175.76 175.82 2inx s TYR 119 N 1.48 3.29 -0.26 0.00 1.51 0.91 0.15 117.35 124.43 2inx s TYR 119 Ca 0.01 1.17 -0.33 0.00 -1.01 0.00 0.00 57.07 56.91 2inx s TYR 119 Cb -0.20 -3.17 0.17 0.00 -0.11 0.00 0.00 41.96 38.65 2inx s TYR 119 CO 0.05 -0.47 1.32 1.67 -1.11 0.00 0.00 175.55 177.01 2inx s TRP 120 N 3.00 -0.06 0.06 2.71 1.48 -1.26 -1.94 118.94 122.92 2inx s TRP 120 Ca 0.37 0.07 0.01 0.00 -1.06 0.00 0.00 56.10 55.50 2inx s TRP 120 Cb -0.15 0.50 -0.00 0.00 -1.16 0.00 0.00 33.47 32.66 2inx s TRP 120 CO 0.08 -0.07 0.05 -1.13 -4.06 0.00 0.00 176.95 171.82 2inx n SER 121 N 0.25 -0.13 0.26 -2.66 3.41 -1.26 -4.69 113.62 108.79 2inx n SER 121 Ca 0.01 -1.37 0.13 0.00 -0.26 0.00 0.00 58.87 57.39 2inx n SER 121 Cb 0.58 0.30 0.79 0.00 -0.26 0.00 0.00 64.21 65.62 2inx n SER 121 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2inx h GLU 122 N 0.00 0.00 0.00 4.33 9.09 -2.00 0.72 114.58 126.72 2inx h GLU 122 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 2inx h GLU 122 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 2inx h GLU 122 CO 0.06 0.00 0.00 1.33 0.05 0.00 0.00 179.01 180.45 2inx n VAL 123 N -4.13 1.11 0.31 -1.06 0.24 -1.26 -1.58 118.33 111.96 2inx n VAL 123 Ca -0.02 0.48 0.11 0.00 -2.04 0.00 0.00 64.34 62.87 2inx n VAL 123 Cb 0.14 -1.43 0.20 0.00 -1.47 0.00 0.00 33.84 31.28 2inx n VAL 123 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2inx n ASN 124 N -2.06 3.36 -4.88 -1.34 4.13 0.25 -4.97 115.26 109.75 2inx n ASN 124 Ca 0.00 -1.97 -0.35 0.00 1.68 0.00 0.00 54.58 53.94 2inx n ASN 124 Cb 0.11 -0.23 -0.05 0.00 -1.54 0.00 0.00 39.78 38.07 2inx n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2inx s LEU 125 N -1.45 4.39 -0.02 3.41 2.96 -0.61 -1.61 118.68 125.75 2inx s LEU 125 Ca 0.36 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 2inx s LEU 125 Cb 0.21 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2inx s LEU 125 CO 0.30 0.32 -0.05 -0.44 -1.32 0.00 0.00 176.35 175.15 2inx s SER 126 N -1.46 0.81 0.00 3.68 0.01 0.42 -4.97 113.70 112.18 2inx s SER 126 Ca 0.23 -0.12 0.28 0.00 1.31 0.00 0.00 55.95 57.65 2inx s SER 126 Cb -0.13 -0.23 1.03 0.00 0.21 0.00 0.00 66.02 66.90 2inx s SER 126 CO 0.12 0.02 1.74 0.52 0.41 0.00 0.00 173.24 176.05