#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sd6 s TYR 6 N 0.00 3.27 -0.44 -1.42 2.02 -1.26 -5.09 117.35 114.43 1sd6 s TYR 6 Ca 0.00 0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.61 1sd6 s TYR 6 Cb 0.00 -1.56 0.08 0.00 -0.40 0.00 0.00 41.96 40.08 1sd6 s TYR 6 CO 0.00 0.52 0.32 -2.00 -1.57 0.00 0.00 175.55 172.81 1sd6 s GLU 7 N -3.20 2.73 -0.06 -0.62 -6.30 -1.26 -5.06 118.70 104.94 1sd6 s GLU 7 Ca 0.32 -1.44 -0.30 0.00 -2.50 0.00 0.00 54.97 51.05 1sd6 s GLU 7 Cb -0.10 -3.92 -0.04 0.00 0.00 0.00 0.00 34.13 30.07 1sd6 s GLU 7 CO 0.25 -1.00 1.28 0.42 0.02 0.00 0.00 175.26 176.24 1sd6 s ILE 8 N 1.50 4.08 1.06 -3.70 1.01 -1.26 -5.00 121.20 118.88 1sd6 s ILE 8 Ca 0.03 1.41 -0.12 0.00 0.00 0.00 0.00 60.65 61.97 1sd6 s ILE 8 Cb -0.24 -3.90 0.22 0.00 0.01 0.00 0.00 42.46 38.55 1sd6 s ILE 8 CO 0.03 -0.03 1.07 -0.94 0.00 0.00 0.00 174.94 175.07 1sd6 s SER 9 N 1.74 1.99 0.20 3.58 1.04 -1.26 -4.80 113.70 116.19 1sd6 s SER 9 Ca 0.59 1.43 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 1sd6 s SER 9 Cb -0.26 -2.13 0.15 0.00 0.10 0.00 0.00 66.02 63.87 1sd6 s SER 9 CO 0.22 -3.56 1.64 -1.28 0.98 0.00 0.00 173.24 171.25 1sd6 h SER 10 N -2.18 0.91 0.27 7.02 0.87 -1.99 -1.57 113.55 116.87 1sd6 h SER 10 Ca -0.56 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 59.64 1sd6 h SER 10 Cb 1.32 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1sd6 h SER 10 CO 0.53 1.03 -0.31 0.00 -0.53 0.00 0.00 176.83 177.55 1sd6 h ALA 11 N 1.05 1.41 0.00 6.23 0.00 -2.00 -2.01 119.26 123.94 1sd6 h ALA 11 Ca 0.13 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1sd6 h ALA 11 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sd6 h ALA 11 CO 0.04 0.43 -0.86 0.93 0.00 0.00 0.00 179.25 179.80 1sd6 h GLU 12 N 0.06 0.16 -0.90 0.00 5.08 -1.80 -2.81 114.58 114.38 1sd6 h GLU 12 Ca 0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1sd6 h GLU 12 Cb 0.58 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1sd6 h GLU 12 CO 0.04 0.92 0.56 -1.49 -1.00 0.00 0.00 179.01 178.04 1sd6 h TRP 13 N 0.09 1.17 -0.29 4.33 4.06 -0.64 -1.47 115.95 123.20 1sd6 h TRP 13 Ca -0.04 0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.98 1sd6 h TRP 13 Cb 1.48 -0.39 -0.06 0.00 -1.00 0.00 0.00 29.16 29.19 1sd6 h TRP 13 CO 0.02 0.76 -0.10 1.49 -3.56 0.00 0.00 178.44 177.06 1sd6 h GLU 14 N 1.23 -0.04 -0.38 0.49 4.57 -1.13 -2.19 114.58 117.13 1sd6 h GLU 14 Ca 0.32 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1sd6 h GLU 14 Cb -0.08 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1sd6 h GLU 14 CO -0.06 -0.02 -0.33 0.28 -1.18 0.00 0.00 179.01 177.70 1sd6 h VAL 15 N -0.04 1.28 0.00 0.32 2.07 -1.33 -3.16 116.25 115.40 1sd6 h VAL 15 Ca 0.14 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.18 1sd6 h VAL 15 Cb 0.25 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1sd6 h VAL 15 CO -0.32 0.50 -0.08 0.24 0.02 0.00 0.00 177.57 177.93 1sd6 h MET 16 N 0.70 -0.14 -0.95 1.57 2.86 -1.04 -1.96 114.93 115.98 1sd6 h MET 16 Ca 0.07 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.90 1sd6 h MET 16 Cb 0.91 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.52 1sd6 h MET 16 CO 0.08 -0.09 0.61 -0.91 1.06 0.00 0.00 176.91 177.66 1sd6 h ASN 17 N -0.15 0.63 -0.36 1.22 2.35 -1.43 0.31 115.58 118.15 1sd6 h ASN 17 Ca 0.03 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1sd6 h ASN 17 Cb 0.19 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1sd6 h ASN 17 CO -0.08 0.25 0.05 0.40 -1.65 0.00 0.00 177.43 176.40 1sd6 h ILE 18 N 0.63 1.24 -0.48 2.81 2.04 -1.39 -1.86 117.51 120.50 1sd6 h ILE 18 Ca 0.51 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1sd6 h ILE 18 Cb 0.96 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1sd6 h ILE 18 CO -0.26 0.29 -0.13 0.40 0.00 0.00 0.00 178.15 178.45 1sd6 h ILE 19 N 0.44 1.26 0.00 -0.67 2.04 -0.32 -1.60 117.51 118.67 1sd6 h ILE 19 Ca 0.11 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 1sd6 h ILE 19 Cb 0.38 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1sd6 h ILE 19 CO 0.01 0.43 -0.24 -0.50 0.00 0.00 0.00 178.15 177.85 1sd6 h TRP 20 N 0.79 0.00 0.00 1.37 6.55 -0.31 0.61 115.95 124.97 1sd6 h TRP 20 Ca 0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.96 1sd6 h TRP 20 Cb 0.66 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 1sd6 h TRP 20 CO 0.04 0.24 0.00 -0.12 -1.05 0.00 0.00 178.44 177.55 1sd6 n MET 21 N -4.04 0.00 -0.28 0.49 1.56 -0.71 -4.17 117.12 109.97 1sd6 n MET 21 Ca -0.02 0.26 0.12 0.00 -0.27 0.00 0.00 57.70 57.79 1sd6 n MET 21 Cb 0.31 -0.95 0.37 0.00 2.15 0.00 0.00 33.22 35.09 1sd6 n MET 21 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1sd6 h LYS 22 N 0.00 0.70 0.00 2.12 1.57 -1.33 -3.47 116.57 116.16 1sd6 h LYS 22 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sd6 h LYS 22 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1sd6 h LYS 22 CO 0.00 0.46 0.00 1.17 -0.57 0.00 0.00 179.45 180.51 1sd6 n LYS 23 N -4.57 0.00 -4.56 3.15 4.81 0.21 -4.88 118.16 112.31 1sd6 n LYS 23 Ca 0.18 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.39 1sd6 n LYS 23 Cb 0.46 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.36 1sd6 n LYS 23 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1sd6 s TYR 24 N -0.05 1.22 -0.28 5.64 2.02 -1.26 -4.10 117.35 120.54 1sd6 s TYR 24 Ca 0.00 -0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 1sd6 s TYR 24 Cb 0.00 -0.84 0.12 0.00 -0.40 0.00 0.00 41.96 40.84 1sd6 s TYR 24 CO 0.00 -0.10 0.98 0.00 -1.57 0.00 0.00 175.55 174.85 1sd6 s ALA 25 N 0.05 -2.01 0.67 3.71 0.00 0.03 -4.93 121.76 119.27 1sd6 s ALA 25 Ca -0.02 1.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.82 1sd6 s ALA 25 Cb -0.09 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1sd6 s ALA 25 CO 0.01 -0.28 1.05 0.45 0.00 0.00 0.00 175.76 177.00 1sd6 s SER 26 N 0.55 5.58 0.31 0.00 0.15 -1.26 -1.33 113.70 117.70 1sd6 s SER 26 Ca -0.00 1.62 0.07 0.00 0.70 0.00 0.00 55.95 58.34 1sd6 s SER 26 Cb -0.05 -2.50 0.83 0.00 -1.71 0.00 0.00 66.02 62.60 1sd6 s SER 26 CO -0.08 -1.31 1.71 0.00 1.20 0.00 0.00 173.24 174.75 1sd6 h ALA 27 N -0.46 1.64 -0.51 5.45 0.00 -1.99 0.22 119.26 123.60 1sd6 h ALA 27 Ca -0.44 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1sd6 h ALA 27 Cb 1.21 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1sd6 h ALA 27 CO 0.58 -0.33 -0.06 -0.91 0.00 0.00 0.00 179.25 178.53 1sd6 h ASN 28 N 0.47 0.89 -0.69 0.00 2.35 -1.95 0.92 115.58 117.58 1sd6 h ASN 28 Ca 0.61 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 1sd6 h ASN 28 Cb 1.19 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 1sd6 h ASN 28 CO -0.51 0.99 0.33 0.78 -1.65 0.00 0.00 177.43 177.36 1sd6 h ASN 29 N 0.83 0.92 0.02 5.81 4.21 -1.34 -1.23 115.58 124.80 1sd6 h ASN 29 Ca 0.14 -0.11 -0.14 0.00 1.21 0.00 0.00 56.30 57.40 1sd6 h ASN 29 Cb 0.57 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1sd6 h ASN 29 CO 0.03 0.79 -0.57 0.40 -1.29 0.00 0.00 177.43 176.79 1sd6 h ILE 30 N 1.01 1.46 -0.96 2.81 2.04 -0.84 -2.19 117.51 120.84 1sd6 h ILE 30 Ca 0.25 -2.12 0.01 0.00 1.00 0.00 0.00 64.86 64.00 1sd6 h ILE 30 Cb 0.12 2.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1sd6 h ILE 30 CO -0.03 0.61 0.64 0.40 0.00 0.00 0.00 178.15 179.76 1sd6 h ILE 31 N -0.20 1.25 -0.11 -0.67 2.04 0.10 -1.65 117.51 118.27 1sd6 h ILE 31 Ca -0.08 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1sd6 h ILE 31 Cb 1.31 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1sd6 h ILE 31 CO 0.11 0.24 -0.08 1.05 0.00 0.00 0.00 178.15 179.47 1sd6 h GLU 32 N 1.30 0.25 0.00 2.37 4.11 -1.28 -1.31 114.58 120.02 1sd6 h GLU 32 Ca 0.35 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.66 1sd6 h GLU 32 Cb -0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1sd6 h GLU 32 CO -0.08 0.63 -0.03 0.93 0.07 0.00 0.00 179.01 180.53 1sd6 h GLU 33 N -0.12 0.00 0.01 1.06 4.39 -1.20 -2.78 114.58 115.94 1sd6 h GLU 33 Ca 0.02 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.43 1sd6 h GLU 33 Cb 0.56 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1sd6 h GLU 33 CO 0.02 0.03 -1.66 0.82 -1.16 0.00 0.00 179.01 177.06 1sd6 h ILE 34 N 0.00 0.91 0.00 3.13 2.04 -1.22 -3.30 117.51 119.07 1sd6 h ILE 34 Ca -0.00 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.11 1sd6 h ILE 34 Cb 0.06 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1sd6 h ILE 34 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.71 1sd6 n GLN 35 N -3.11 0.03 0.22 2.37 6.02 -0.50 -1.31 117.38 121.10 1sd6 n GLN 35 Ca -0.16 0.24 0.08 0.00 -0.01 0.00 0.00 57.00 57.15 1sd6 n GLN 35 Cb 1.04 -1.56 0.52 0.00 1.02 0.00 0.00 30.24 31.27 1sd6 n GLN 35 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1sd6 h MET 36 N 0.00 0.00 0.00 -1.09 2.86 -1.60 -3.36 114.93 111.73 1sd6 h MET 36 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1sd6 h MET 36 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1sd6 h MET 36 CO 0.00 0.24 -1.19 1.04 1.06 0.00 0.00 176.91 178.06 1sd6 n GLN 37 N -3.72 0.08 -4.00 1.72 1.13 -0.86 -5.07 117.38 106.67 1sd6 n GLN 37 Ca -0.01 0.02 -0.33 0.00 -1.94 0.00 0.00 57.00 54.74 1sd6 n GLN 37 Cb 0.36 -1.02 -0.06 0.00 0.11 0.00 0.00 30.24 29.62 1sd6 n GLN 37 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1sd6 s LYS 38 N -2.07 3.25 -1.02 -1.09 -0.14 -0.43 -5.01 119.74 113.24 1sd6 s LYS 38 Ca -0.05 -0.40 -0.04 0.00 -1.36 0.00 0.00 55.97 54.13 1sd6 s LYS 38 Cb 0.01 -2.98 0.18 0.00 -1.68 0.00 0.00 37.83 33.37 1sd6 s LYS 38 CO 0.08 0.67 2.29 -3.47 -0.76 0.00 0.00 175.35 174.15 1sd6 n ASP 39 N 1.11 7.50 -4.86 2.83 2.03 -1.26 -4.31 116.55 119.59 1sd6 n ASP 39 Ca -0.12 -3.37 -0.36 0.00 0.52 0.00 0.00 54.79 51.46 1sd6 n ASP 39 Cb 0.53 -1.25 -0.06 0.00 -0.72 0.00 0.00 41.12 39.61 1sd6 n ASP 39 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1sd6 s TRP 40 N -2.40 3.53 0.42 -0.67 0.51 -1.26 -5.10 118.94 113.98 1sd6 s TRP 40 Ca 0.51 0.44 -0.22 0.00 -2.12 0.00 0.00 56.10 54.71 1sd6 s TRP 40 Cb 0.26 -1.89 -0.10 0.00 -0.81 0.00 0.00 33.47 30.93 1sd6 s TRP 40 CO -0.17 0.68 1.00 -1.54 -0.51 0.00 0.00 176.95 176.42 1sd6 s SER 41 N -1.24 6.77 0.30 2.95 1.04 -1.26 -4.81 113.70 117.44 1sd6 s SER 41 Ca 0.18 1.87 0.05 0.00 0.48 0.00 0.00 55.95 58.52 1sd6 s SER 41 Cb -0.12 -2.56 0.78 0.00 0.10 0.00 0.00 66.02 64.21 1sd6 s SER 41 CO 0.07 -0.48 1.67 -0.65 0.98 0.00 0.00 173.24 174.84 1sd6 h PRO 42 N 2.13 0.31 0.13 4.02 0.11 -1.98 0.72 132.00 137.44 1sd6 h PRO 42 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sd6 h PRO 42 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sd6 h PRO 42 CO 0.61 0.21 -0.11 -0.22 -0.21 0.00 0.00 178.00 178.28 1sd6 h LYS 43 N 0.32 -0.24 -0.31 1.05 3.64 -1.99 0.17 116.57 119.22 1sd6 h LYS 43 Ca 0.58 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 60.03 1sd6 h LYS 43 Cb 1.17 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1sd6 h LYS 43 CO -0.58 -0.16 -0.01 1.15 -2.27 0.00 0.00 179.45 177.57 1sd6 h THR 44 N -0.25 0.76 -0.43 1.00 2.02 -0.16 -1.33 112.91 114.51 1sd6 h THR 44 Ca -0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1sd6 h THR 44 Cb 0.23 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1sd6 h THR 44 CO -0.01 0.01 0.01 0.40 0.37 0.00 0.00 175.52 176.30 1sd6 h ILE 45 N 0.07 1.23 -0.26 3.11 2.04 0.02 -2.35 117.51 121.36 1sd6 h ILE 45 Ca 0.15 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1sd6 h ILE 45 Cb 0.20 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1sd6 h ILE 45 CO -0.26 0.32 -0.28 0.03 0.00 0.00 0.00 178.15 177.95 1sd6 h ARG 46 N 0.66 0.53 -0.39 2.37 3.08 -0.19 -2.73 114.38 117.70 1sd6 h ARG 46 Ca 0.13 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1sd6 h ARG 46 Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1sd6 h ARG 46 CO 0.01 0.76 0.08 1.15 -1.07 0.00 0.00 179.97 180.90 1sd6 h THR 47 N 0.46 1.19 -0.30 2.04 2.02 -0.88 -1.58 112.91 115.85 1sd6 h THR 47 Ca 0.06 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1sd6 h THR 47 Cb 0.73 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1sd6 h THR 47 CO 0.06 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 176.17 1sd6 h LEU 48 N 0.57 0.47 -0.12 2.58 3.38 -1.13 -0.57 115.31 120.49 1sd6 h LEU 48 Ca 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1sd6 h LEU 48 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1sd6 h LEU 48 CO -0.00 0.61 0.05 0.40 0.09 0.00 0.00 178.44 179.59 1sd6 h ILE 49 N 0.32 1.13 -1.00 1.22 2.04 -1.34 -1.57 117.51 118.31 1sd6 h ILE 49 Ca 0.09 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1sd6 h ILE 49 Cb 0.33 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1sd6 h ILE 49 CO 0.00 0.12 0.64 0.74 0.00 0.00 0.00 178.15 179.66 1sd6 h THR 50 N 0.05 1.02 -0.69 -0.27 2.02 -1.25 0.18 112.91 113.96 1sd6 h THR 50 Ca 0.04 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1sd6 h THR 50 Cb 0.14 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1sd6 h THR 50 CO -0.00 0.20 0.40 -0.09 0.37 0.00 0.00 175.52 176.39 1sd6 h ARG 51 N 1.10 0.94 0.00 6.66 2.43 -0.31 -1.13 114.38 124.08 1sd6 h ARG 51 Ca 0.46 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1sd6 h ARG 51 Cb 0.30 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1sd6 h ARG 51 CO -0.21 0.68 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.50 1sd6 h LEU 52 N 0.96 0.00 -0.21 3.80 3.38 -0.13 -2.83 115.31 120.28 1sd6 h LEU 52 Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 1sd6 h LEU 52 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sd6 h LEU 52 CO -0.04 0.11 -0.49 0.22 0.09 0.00 0.00 178.44 178.33 1sd6 h TYR 53 N 0.00 0.90 0.00 1.13 3.20 -0.18 -0.58 116.97 121.44 1sd6 h TYR 53 Ca -0.01 -0.34 -0.05 0.00 3.14 0.00 0.00 58.73 61.48 1sd6 h TYR 53 Cb 1.09 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1sd6 h TYR 53 CO 0.00 1.13 -0.23 0.87 -1.64 0.00 0.00 178.16 178.29 1sd6 h LYS 54 N 0.41 0.00 -0.01 1.82 1.57 -1.24 -2.56 116.57 116.57 1sd6 h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sd6 h LYS 54 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1sd6 h LYS 54 CO 0.11 0.23 -0.11 1.63 -0.57 0.00 0.00 179.45 180.74 1sd6 n LYS 55 N -3.38 1.09 -1.01 3.15 5.02 -1.07 -4.92 118.16 117.04 1sd6 n LYS 55 Ca 0.00 -0.53 -0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1sd6 n LYS 55 Cb 0.44 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1sd6 n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sd6 n GLY 56 N 1.24 0.44 0.22 0.72 0.00 -0.96 -4.88 105.19 101.95 1sd6 n GLY 56 Ca 0.16 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1sd6 n GLY 56 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sd6 h PHE 57 N 0.00 0.00 -4.00 1.61 -1.00 -1.35 -3.43 116.94 108.78 1sd6 h PHE 57 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 1sd6 h PHE 57 Cb 0.16 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.62 1sd6 h PHE 57 CO 0.10 0.09 -0.21 0.96 -1.61 0.00 0.00 178.31 177.63 1sd6 s ILE 58 N -3.27 0.00 0.00 -0.55 -4.36 -1.11 -1.87 121.20 110.05 1sd6 s ILE 58 Ca 0.05 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1sd6 s ILE 58 Cb 0.06 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1sd6 s ILE 58 CO 0.66 0.00 0.00 -0.67 0.24 0.00 0.00 174.94 175.17 1sd6 n ASP 59 N -0.90 0.00 -3.67 4.36 4.64 -0.75 -4.57 116.55 115.66 1sd6 n ASP 59 Ca 0.00 -0.79 -0.08 0.00 -1.38 0.00 0.00 54.79 52.55 1sd6 n ASP 59 Cb 0.62 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.62 1sd6 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sd6 s ARG 60 N -1.36 0.46 -0.32 -0.67 1.70 -1.26 -2.14 118.95 115.37 1sd6 s ARG 60 Ca 0.00 1.05 -0.14 0.00 -0.47 0.00 0.00 55.73 56.17 1sd6 s ARG 60 Cb 0.00 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 1sd6 s ARG 60 CO 0.00 -0.19 0.32 0.15 -1.08 0.00 0.00 175.30 174.50 1sd6 s LYS 61 N 2.02 3.70 -1.21 3.89 1.02 -0.31 -4.79 119.74 124.07 1sd6 s LYS 61 Ca -0.07 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.40 1sd6 s LYS 61 Cb -0.09 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1sd6 s LYS 61 CO -0.15 -0.41 2.06 1.17 -0.92 0.00 0.00 175.35 177.10 1sd6 n LYS 62 N 5.28 2.39 -2.35 1.68 4.81 -1.26 -1.80 118.16 126.91 1sd6 n LYS 62 Ca -0.10 -2.44 -0.43 0.00 -0.87 0.00 0.00 58.31 54.47 1sd6 n LYS 62 Cb 0.50 -3.23 -0.02 0.00 0.02 0.00 0.00 35.03 32.30 1sd6 n LYS 62 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sd6 s ASP 63 N 4.10 6.73 0.11 3.14 -1.08 -1.11 -4.60 116.67 123.96 1sd6 s ASP 63 Ca 0.53 1.52 0.00 0.00 -0.52 0.00 0.00 52.55 54.07 1sd6 s ASP 63 Cb 0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1sd6 s ASP 63 CO 0.01 -0.98 0.00 -3.20 0.52 0.00 0.00 175.17 171.52 1sd6 n ASN 64 N 7.34 0.00 0.03 -0.34 2.85 -1.26 -3.24 115.26 120.64 1sd6 n ASN 64 Ca 0.15 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.64 1sd6 n ASN 64 Cb 0.45 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.39 1sd6 n ASN 64 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1sd6 n LYS 65 N 8.80 0.63 -2.54 1.20 3.00 -1.26 -4.89 118.16 123.09 1sd6 n LYS 65 Ca 0.00 0.15 -0.43 0.00 -0.00 0.00 0.00 58.31 58.03 1sd6 n LYS 65 Cb 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 35.03 33.25 1sd6 n LYS 65 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1sd6 s ILE 66 N -3.00 4.40 0.58 3.15 -4.36 -1.20 -4.99 121.20 115.78 1sd6 s ILE 66 Ca -0.04 1.64 -0.20 0.00 -0.26 0.00 0.00 60.65 61.79 1sd6 s ILE 66 Cb 0.09 -4.24 -0.04 0.00 1.25 0.00 0.00 42.46 39.53 1sd6 s ILE 66 CO 0.82 -0.34 1.31 0.49 0.24 0.00 0.00 174.94 177.46 1sd6 n PHE 67 N 6.89 2.08 -3.76 1.37 0.99 -1.26 -2.75 117.46 121.02 1sd6 n PHE 67 Ca 0.13 0.43 -0.28 0.00 -0.00 0.00 0.00 57.45 57.72 1sd6 n PHE 67 Cb 0.46 -2.32 -0.16 0.00 -1.00 0.00 0.00 39.48 36.47 1sd6 n PHE 67 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1sd6 s GLN 68 N -3.04 0.81 0.23 -1.08 -1.52 -0.74 -4.07 119.66 110.25 1sd6 s GLN 68 Ca 0.76 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 53.23 1sd6 s GLN 68 Cb -0.41 -2.15 -0.09 0.00 -0.22 0.00 0.00 33.01 30.15 1sd6 s GLN 68 CO 0.46 -0.71 0.93 0.71 -0.25 0.00 0.00 175.29 176.43 1sd6 s TYR 69 N 1.74 3.98 0.09 0.91 1.51 -0.44 -1.16 117.35 123.98 1sd6 s TYR 69 Ca 0.01 1.89 -0.07 0.00 -1.01 0.00 0.00 57.07 57.88 1sd6 s TYR 69 Cb -0.17 -2.96 -0.01 0.00 -0.11 0.00 0.00 41.96 38.70 1sd6 s TYR 69 CO -0.12 0.46 0.15 1.52 -1.11 0.00 0.00 175.55 176.45 1sd6 s TYR 70 N -1.13 0.25 0.39 2.71 1.13 -0.91 -0.79 117.35 119.00 1sd6 s TYR 70 Ca 0.41 -0.70 -0.24 0.00 -1.41 0.00 0.00 57.07 55.12 1sd6 s TYR 70 Cb -0.26 -0.13 -0.09 0.00 -1.10 0.00 0.00 41.96 40.38 1sd6 s TYR 70 CO 0.31 -0.52 1.06 0.45 -2.51 0.00 0.00 175.55 174.34 1sd6 s SER 71 N -2.88 6.79 0.00 -0.18 0.15 -1.26 -1.81 113.70 114.51 1sd6 s SER 71 Ca 0.06 2.06 0.09 0.00 0.70 0.00 0.00 55.95 58.87 1sd6 s SER 71 Cb 0.05 -2.59 0.25 0.00 -1.71 0.00 0.00 66.02 62.03 1sd6 s SER 71 CO -0.10 -0.47 1.19 0.18 1.20 0.00 0.00 173.24 175.23 1sd6 n LEU 72 N 0.03 2.72 -3.89 3.45 4.77 -0.78 -4.86 117.00 118.44 1sd6 n LEU 72 Ca 0.05 -1.91 -0.21 0.00 -0.03 0.00 0.00 56.01 53.90 1sd6 n LEU 72 Cb 0.49 -0.19 -0.17 0.00 -2.33 0.00 0.00 43.42 41.23 1sd6 n LEU 72 CO 0.46 0.67 -0.41 0.68 -1.33 0.00 0.00 177.39 177.46 1sd6 s VAL 73 N -0.98 0.59 -0.12 4.08 -7.23 -1.25 -4.95 120.40 110.54 1sd6 s VAL 73 Ca 0.20 -0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 1sd6 s VAL 73 Cb 0.10 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.36 1sd6 s VAL 73 CO 0.14 0.25 1.98 -0.70 -0.31 0.00 0.00 175.10 176.46 1sd6 s GLU 74 N 1.07 3.67 0.52 4.82 2.56 -1.26 -4.87 118.70 125.21 1sd6 s GLU 74 Ca -0.09 2.16 0.28 0.00 0.00 0.00 0.00 54.97 57.33 1sd6 s GLU 74 Cb -0.14 -4.22 1.40 0.00 2.00 0.00 0.00 34.13 33.18 1sd6 s GLU 74 CO -0.01 -1.48 1.90 1.49 -0.56 0.00 0.00 175.26 176.60 1sd6 h GLU 75 N 12.36 0.06 0.00 4.30 4.81 -1.99 0.74 114.58 134.87 1sd6 h GLU 75 Ca -0.43 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 1sd6 h GLU 75 Cb 1.22 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1sd6 h GLU 75 CO 0.96 0.04 -0.78 0.66 -0.73 0.00 0.00 179.01 179.16 1sd6 h SER 76 N 0.06 0.00 0.01 1.04 4.64 -1.99 -2.87 113.55 114.44 1sd6 h SER 76 Ca 0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1sd6 h SER 76 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1sd6 h SER 76 CO -0.03 0.30 -0.00 0.44 -0.87 0.00 0.00 176.83 176.67 1sd6 h ASP 77 N 0.00 -0.01 -0.65 4.97 3.32 -1.58 -2.97 116.42 119.51 1sd6 h ASP 77 Ca -0.05 -0.72 0.07 0.00 0.02 0.00 0.00 57.03 56.35 1sd6 h ASP 77 Cb 1.27 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 1sd6 h ASP 77 CO 0.03 0.84 0.33 -0.29 -1.72 0.00 0.00 179.24 178.43 1sd6 h ILE 78 N -0.98 0.91 -0.21 0.35 6.09 -1.03 0.61 117.51 123.25 1sd6 h ILE 78 Ca -0.00 -0.21 -0.12 0.00 -1.37 0.00 0.00 64.86 63.16 1sd6 h ILE 78 Cb 0.73 0.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 1sd6 h ILE 78 CO 0.00 0.11 -0.36 0.11 -3.07 0.00 0.00 178.15 174.95 1sd6 h LYS 79 N 0.60 0.61 -0.51 2.19 1.57 -1.66 -1.78 116.57 117.59 1sd6 h LYS 79 Ca 0.30 -0.38 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1sd6 h LYS 79 Cb 0.25 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 1sd6 h LYS 79 CO -0.22 0.99 0.06 -0.92 -0.57 0.00 0.00 179.45 178.80 1sd6 h TYR 80 N 0.30 0.09 -0.92 -1.35 3.20 -1.27 0.15 116.97 117.18 1sd6 h TYR 80 Ca 0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1sd6 h TYR 80 Cb 0.95 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 1sd6 h TYR 80 CO 0.09 -0.05 0.60 -0.22 -1.64 0.00 0.00 178.16 176.93 1sd6 h LYS 81 N 0.19 1.12 0.29 1.82 3.64 -0.76 -0.93 116.57 121.93 1sd6 h LYS 81 Ca 0.26 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1sd6 h LYS 81 Cb 0.38 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1sd6 h LYS 81 CO -0.37 0.74 -0.14 1.15 -2.27 0.00 0.00 179.45 178.56 1sd6 h THR 82 N 1.15 0.74 -0.46 1.00 2.02 -0.25 -2.55 112.91 114.57 1sd6 h THR 82 Ca 0.37 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.43 1sd6 h THR 82 Cb 0.01 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1sd6 h THR 82 CO -0.12 0.04 0.18 0.28 0.37 0.00 0.00 175.52 176.26 1sd6 h SER 83 N -0.48 0.20 -0.51 4.18 0.02 -0.42 0.69 113.55 117.23 1sd6 h SER 83 Ca -0.04 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1sd6 h SER 83 Cb 0.36 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1sd6 h SER 83 CO 0.07 0.15 0.35 0.11 -1.14 0.00 0.00 176.83 176.36 1sd6 h LYS 84 N 0.36 0.28 0.04 3.45 1.57 -1.09 0.15 116.57 121.33 1sd6 h LYS 84 Ca 0.21 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.72 1sd6 h LYS 84 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1sd6 h LYS 84 CO -0.20 0.19 -1.32 -0.91 -0.57 0.00 0.00 179.45 176.64 1sd6 h ASN 85 N 0.29 0.13 0.06 0.86 -0.26 -0.86 -2.73 115.58 113.07 1sd6 h ASN 85 Ca 0.24 -0.17 -0.13 0.00 -0.56 0.00 0.00 56.30 55.68 1sd6 h ASN 85 Cb 0.55 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 1sd6 h ASN 85 CO -0.05 1.14 -0.42 0.15 -1.06 0.00 0.00 177.43 177.19 1sd6 h PHE 86 N 0.02 0.53 -0.33 1.19 3.57 0.19 -2.00 116.94 120.12 1sd6 h PHE 86 Ca -0.14 -0.15 -0.17 0.00 3.53 0.00 0.00 57.97 61.04 1sd6 h PHE 86 Cb 1.90 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.53 1sd6 h PHE 86 CO 0.02 0.79 -0.45 0.82 -2.23 0.00 0.00 178.31 177.26 1sd6 h ILE 87 N 0.37 1.28 -0.50 1.41 2.04 -0.80 -2.06 117.51 119.25 1sd6 h ILE 87 Ca 0.03 -1.63 -0.12 0.00 1.00 0.00 0.00 64.86 64.13 1sd6 h ILE 87 Cb 0.89 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1sd6 h ILE 87 CO 0.07 0.54 -0.18 0.78 0.00 0.00 0.00 178.15 179.37 1sd6 h ASN 88 N 0.69 1.01 0.88 1.72 -0.26 -1.33 0.69 115.58 118.97 1sd6 h ASN 88 Ca 0.04 -0.38 -0.04 0.00 -0.56 0.00 0.00 56.30 55.36 1sd6 h ASN 88 Cb 1.04 -0.28 0.01 0.00 -1.06 0.00 0.00 38.32 38.03 1sd6 h ASN 88 CO 0.10 1.16 -0.42 0.50 -1.06 0.00 0.00 177.43 177.72 1sd6 h LYS 89 N 0.85 -1.13 0.00 0.81 3.64 -1.33 -3.38 116.57 116.03 1sd6 h LYS 89 Ca 0.12 0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1sd6 h LYS 89 Cb 0.75 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1sd6 h LYS 89 CO 0.06 -0.75 -0.27 0.28 -2.27 0.00 0.00 179.45 176.49 1sd6 h VAL 90 N -1.21 1.39 -3.31 2.00 2.07 -1.37 -3.47 116.25 112.35 1sd6 h VAL 90 Ca -0.12 -2.14 -0.59 0.00 0.82 0.00 0.00 66.70 64.67 1sd6 h VAL 90 Cb 0.91 2.72 -0.10 0.00 -1.52 0.00 0.00 31.29 33.29 1sd6 h VAL 90 CO 0.20 0.47 -0.34 -0.31 0.02 0.00 0.00 177.57 177.60 1sd6 s TYR 91 N -2.18 3.45 -0.51 1.57 2.02 0.24 -4.99 117.35 116.95 1sd6 s TYR 91 Ca -0.19 0.55 0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1sd6 s TYR 91 Cb -0.01 -2.33 0.43 0.00 -0.40 0.00 0.00 41.96 39.66 1sd6 s TYR 91 CO 0.59 0.23 1.55 1.63 -1.57 0.00 0.00 175.55 177.97 1sd6 n LYS 92 N 3.64 3.18 0.00 -0.62 4.76 -1.26 -3.91 118.16 123.95 1sd6 n LYS 92 Ca -0.12 -3.87 0.00 0.00 -2.87 0.00 0.00 58.31 51.45 1sd6 n LYS 92 Cb 0.52 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1sd6 n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sd6 n GLY 93 N -0.71 -1.88 7.00 0.72 0.00 -1.26 -5.09 105.19 103.98 1sd6 n GLY 93 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1sd6 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sd6 n GLY 94 N 0.00 0.48 0.06 -0.02 0.00 -1.25 -3.27 105.19 101.19 1sd6 n GLY 94 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1sd6 n GLY 94 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sd6 h PHE 95 N 0.00 0.06 -0.75 1.61 3.57 -1.93 -3.06 116.94 116.44 1sd6 h PHE 95 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1sd6 h PHE 95 Cb 0.00 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.62 1sd6 h PHE 95 CO 0.00 0.08 0.28 -0.91 -2.23 0.00 0.00 178.31 175.53 1sd6 h ASN 96 N 0.03 0.24 0.03 0.41 4.21 -2.00 -0.06 115.58 118.43 1sd6 h ASN 96 Ca 0.02 0.12 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 1sd6 h ASN 96 Cb 0.03 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1sd6 h ASN 96 CO -0.00 0.08 -0.19 -1.28 -1.29 0.00 0.00 177.43 174.74 1sd6 h SER 97 N 0.41 0.29 -0.07 5.81 0.87 -1.53 -1.06 113.55 118.28 1sd6 h SER 97 Ca 0.42 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.87 1sd6 h SER 97 Cb 0.65 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1sd6 h SER 97 CO -0.42 0.50 -0.06 0.25 -0.53 0.00 0.00 176.83 176.57 1sd6 h LEU 98 N 0.27 0.17 -0.83 2.23 6.46 -0.97 -2.61 115.31 120.04 1sd6 h LEU 98 Ca 0.05 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1sd6 h LEU 98 Cb 0.50 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1sd6 h LEU 98 CO 0.03 0.61 0.53 0.58 -0.62 0.00 0.00 178.44 179.57 1sd6 h VAL 99 N -0.27 1.14 -0.47 1.05 2.07 -0.98 -1.40 116.25 117.39 1sd6 h VAL 99 Ca 0.01 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1sd6 h VAL 99 Cb 0.56 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1sd6 h VAL 99 CO 0.02 0.19 0.24 0.25 0.02 0.00 0.00 177.57 178.28 1sd6 h LEU 100 N 1.04 0.60 -0.77 2.57 5.85 -1.20 -1.93 115.31 121.48 1sd6 h LEU 100 Ca 0.33 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1sd6 h LEU 100 Cb -0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1sd6 h LEU 100 CO -0.11 0.54 0.38 -1.13 -0.34 0.00 0.00 178.44 177.79 1sd6 h ASN 101 N 0.61 1.00 -0.60 1.25 -0.73 -1.05 -1.78 115.58 114.27 1sd6 h ASN 101 Ca 0.16 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.15 1sd6 h ASN 101 Cb 0.09 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 1sd6 h ASN 101 CO -0.02 0.84 0.17 0.15 -0.37 0.00 0.00 177.43 178.20 1sd6 h PHE 102 N 1.08 1.02 -0.17 0.67 3.04 -0.92 -2.85 116.94 118.81 1sd6 h PHE 102 Ca 0.27 -0.10 -0.18 0.00 3.98 0.00 0.00 57.97 61.93 1sd6 h PHE 102 Cb 0.10 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.32 1sd6 h PHE 102 CO 0.01 0.83 -0.60 0.28 -2.02 0.00 0.00 178.31 176.81 1sd6 h VAL 103 N 0.95 1.31 0.00 1.41 2.07 -1.06 -1.02 116.25 119.90 1sd6 h VAL 103 Ca 0.20 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 1sd6 h VAL 103 Cb 0.31 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1sd6 h VAL 103 CO -0.00 0.58 -0.17 -0.33 0.02 0.00 0.00 177.57 177.66 1sd6 h GLU 104 N 0.40 0.00 0.00 1.57 5.08 -1.26 -3.30 114.58 117.08 1sd6 h GLU 104 Ca -0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 1sd6 h GLU 104 Cb 1.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1sd6 h GLU 104 CO 0.13 0.17 -1.91 1.63 -1.00 0.00 0.00 179.01 178.03 1sd6 n LYS 105 N -4.10 0.57 -2.20 2.33 4.01 -1.08 -4.93 118.16 112.76 1sd6 n LYS 105 Ca -0.02 0.39 -0.42 0.00 -0.51 0.00 0.00 58.31 57.75 1sd6 n LYS 105 Cb 0.24 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.14 1sd6 n LYS 105 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1sd6 s GLU 106 N -2.46 4.30 -0.84 1.97 0.41 -0.39 -4.93 118.70 116.77 1sd6 s GLU 106 Ca -0.34 2.02 -0.25 0.00 -0.41 0.00 0.00 54.97 55.99 1sd6 s GLU 106 Cb 0.10 -3.42 0.03 0.00 -1.78 0.00 0.00 34.13 29.06 1sd6 s GLU 106 CO 0.52 -0.50 1.43 -2.00 -0.49 0.00 0.00 175.26 174.22 1sd6 s GLU 107 N 1.77 3.24 -0.52 1.61 -6.30 -1.26 -4.74 118.70 112.50 1sd6 s GLU 107 Ca 0.64 -0.47 -0.14 0.00 -2.50 0.00 0.00 54.97 52.50 1sd6 s GLU 107 Cb -0.34 -4.66 0.13 0.00 0.00 0.00 0.00 34.13 29.25 1sd6 s GLU 107 CO 0.29 -2.30 0.46 -0.51 0.02 0.00 0.00 175.26 173.21 1sd6 s LEU 108 N 6.06 6.05 0.50 2.70 1.43 -1.26 -5.07 118.68 129.09 1sd6 s LEU 108 Ca 0.44 -1.84 -0.21 0.00 -1.03 0.00 0.00 54.13 51.49 1sd6 s LEU 108 Cb -0.06 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 1sd6 s LEU 108 CO 0.06 -0.81 0.84 -1.20 0.23 0.00 0.00 176.35 175.47 1sd6 n SER 109 N 5.13 0.38 -0.18 2.29 7.64 -1.26 -4.28 113.62 123.35 1sd6 n SER 109 Ca -0.12 0.89 0.29 0.00 1.01 0.00 0.00 58.87 60.94 1sd6 n SER 109 Cb 0.40 -1.30 0.73 0.00 -1.01 0.00 0.00 64.21 63.03 1sd6 n SER 109 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1sd6 h GLN 110 N 0.87 0.00 -0.19 1.43 5.75 -1.97 2.70 115.11 123.70 1sd6 h GLN 110 Ca -0.45 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.08 1sd6 h GLN 110 Cb 1.37 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.88 1sd6 h GLN 110 CO 0.52 0.00 -0.01 -0.44 -2.65 0.00 0.00 178.83 176.25 1sd6 h ASP 111 N 0.00 -0.09 0.09 -0.69 3.45 -1.99 0.42 116.42 117.61 1sd6 h ASP 111 Ca 0.43 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.93 1sd6 h ASP 111 Cb 1.73 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.59 1sd6 h ASP 111 CO -0.00 -0.02 -0.04 -0.33 -1.57 0.00 0.00 179.24 177.27 1sd6 h GLU 112 N 0.05 -0.12 -0.31 3.56 5.08 0.41 -2.88 114.58 120.37 1sd6 h GLU 112 Ca 0.09 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1sd6 h GLU 112 Cb 0.12 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1sd6 h GLU 112 CO -0.16 0.19 -0.10 0.82 -1.00 0.00 0.00 179.01 178.76 1sd6 h ILE 113 N -0.43 0.63 -0.86 3.13 1.08 0.38 -1.84 117.51 119.60 1sd6 h ILE 113 Ca -0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1sd6 h ILE 113 Cb 0.36 0.63 -0.07 0.00 -3.07 0.00 0.00 36.82 34.68 1sd6 h ILE 113 CO 0.02 0.00 0.52 -0.08 -0.69 0.00 0.00 178.15 177.92 1sd6 h GLU 114 N -0.04 0.87 -0.86 2.37 4.57 -0.21 0.28 114.58 121.56 1sd6 h GLU 114 Ca 0.15 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.37 1sd6 h GLU 114 Cb 0.27 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 1sd6 h GLU 114 CO -0.34 0.58 0.56 0.93 -1.18 0.00 0.00 179.01 179.56 1sd6 h GLU 115 N 0.90 0.86 -0.01 1.92 5.08 -1.11 -1.75 114.58 120.46 1sd6 h GLU 115 Ca 0.40 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1sd6 h GLU 115 Cb 0.28 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1sd6 h GLU 115 CO -0.21 0.57 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.70 1sd6 h LEU 116 N 0.88 0.54 -0.96 1.33 3.38 -0.99 -3.13 115.31 116.37 1sd6 h LEU 116 Ca 0.39 -0.75 0.30 0.00 0.09 0.00 0.00 57.88 57.91 1sd6 h LEU 116 Cb 0.35 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1sd6 h LEU 116 CO -0.16 1.22 0.32 0.03 0.09 0.00 0.00 178.44 179.94 1sd6 h ARG 117 N -0.08 0.13 0.08 1.13 3.08 -0.16 -0.23 114.38 118.34 1sd6 h ARG 117 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1sd6 h ARG 117 Cb 1.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1sd6 h ARG 117 CO 0.12 0.09 -0.04 -0.97 -1.07 0.00 0.00 179.97 178.10 1sd6 h ASN 118 N 0.13 -0.09 -0.66 7.04 -0.73 -1.33 -2.79 115.58 117.16 1sd6 h ASN 118 Ca 0.67 -0.08 0.13 0.00 1.87 0.00 0.00 56.30 58.88 1sd6 h ASN 118 Cb 1.51 0.02 -0.09 0.00 0.27 0.00 0.00 38.32 40.02 1sd6 h ASN 118 CO -0.74 0.02 0.16 0.40 -0.37 0.00 0.00 177.43 176.91 1sd6 h ILE 119 N -0.20 0.61 -0.94 2.57 2.04 -1.04 -0.33 117.51 120.22 1sd6 h ILE 119 Ca -0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1sd6 h ILE 119 Cb 0.17 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1sd6 h ILE 119 CO 0.02 0.05 0.62 0.25 0.00 0.00 0.00 178.15 179.09 1sd6 h LEU 120 N 0.29 1.03 0.05 1.44 6.46 -1.36 -3.17 115.31 120.04 1sd6 h LEU 120 Ca 0.36 -0.01 -0.27 0.00 -0.12 0.00 0.00 57.88 57.83 1sd6 h LEU 120 Cb 0.55 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1sd6 h LEU 120 CO -0.43 0.71 -1.40 0.78 -0.62 0.00 0.00 178.44 177.48 1sd6 h ASN 121 N 1.19 0.16 0.00 1.25 2.35 -1.05 -3.52 115.58 115.96 1sd6 h ASN 121 Ca 0.37 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1sd6 h ASN 121 Cb -0.01 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1sd6 h ASN 121 CO -0.11 1.18 0.00 0.29 -1.65 0.00 0.00 177.43 177.15