#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sd6 n TYR 6 N 0.00 0.00 -1.63 -1.42 4.01 -1.26 -5.10 117.16 111.75 1sd6 n TYR 6 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1sd6 n TYR 6 Cb 0.00 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.04 1sd6 n TYR 6 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1sd6 n GLU 7 N 2.75 0.93 -4.16 -0.72 4.71 -1.26 -5.06 120.64 117.82 1sd6 n GLU 7 Ca 0.00 0.37 -0.16 0.00 -0.01 0.00 0.00 57.16 57.36 1sd6 n GLU 7 Cb 0.00 -2.34 -0.14 0.00 -1.01 0.00 0.00 31.44 27.95 1sd6 n GLU 7 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 1sd6 s ILE 8 N -1.50 0.47 0.97 -3.67 2.07 -1.26 -5.16 121.20 113.11 1sd6 s ILE 8 Ca 0.79 -0.40 -0.15 0.00 -1.41 0.00 0.00 60.65 59.48 1sd6 s ILE 8 Cb -0.39 -0.42 0.18 0.00 0.13 0.00 0.00 42.46 41.96 1sd6 s ILE 8 CO 0.44 0.03 1.23 -0.94 -1.91 0.00 0.00 174.94 173.79 1sd6 s SER 9 N -0.41 3.04 0.24 4.50 1.04 -1.26 -4.85 113.70 116.00 1sd6 s SER 9 Ca -0.00 0.54 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1sd6 s SER 9 Cb -0.04 -0.79 0.23 0.00 0.10 0.00 0.00 66.02 65.52 1sd6 s SER 9 CO -0.00 -2.80 1.84 0.28 0.98 0.00 0.00 173.24 173.53 1sd6 h SER 10 N -1.68 1.08 -0.11 7.02 0.02 -2.02 -1.77 113.55 116.08 1sd6 h SER 10 Ca -0.46 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.34 1sd6 h SER 10 Cb 1.28 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1sd6 h SER 10 CO 0.46 0.90 -0.03 0.00 -1.14 0.00 0.00 176.83 177.02 1sd6 h ALA 11 N 1.26 0.15 -0.37 3.77 0.00 -2.00 -2.70 119.26 119.37 1sd6 h ALA 11 Ca 0.29 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sd6 h ALA 11 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sd6 h ALA 11 CO -0.04 -0.10 0.25 0.93 0.00 0.00 0.00 179.25 180.29 1sd6 h GLU 12 N -0.11 0.34 -0.37 0.00 5.08 -1.87 -0.76 114.58 116.88 1sd6 h GLU 12 Ca 0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1sd6 h GLU 12 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1sd6 h GLU 12 CO 0.01 0.22 0.05 -1.49 -1.00 0.00 0.00 179.01 176.81 1sd6 h TRP 13 N 0.35 0.57 -0.10 4.33 4.06 -1.04 -1.62 115.95 122.50 1sd6 h TRP 13 Ca 0.15 -0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 1sd6 h TRP 13 Cb 0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 1sd6 h TRP 13 CO -0.00 0.53 -0.31 1.49 -3.56 0.00 0.00 178.44 176.58 1sd6 h GLU 14 N 0.54 0.18 0.01 0.49 4.81 -0.83 0.13 114.58 119.92 1sd6 h GLU 14 Ca 0.12 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1sd6 h GLU 14 Cb 0.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1sd6 h GLU 14 CO 0.00 0.48 -0.19 0.28 -0.73 0.00 0.00 179.01 178.85 1sd6 h VAL 15 N 0.16 1.62 -0.33 0.32 2.07 -1.35 -3.20 116.25 115.55 1sd6 h VAL 15 Ca 0.02 -2.09 0.02 0.00 0.82 0.00 0.00 66.70 65.48 1sd6 h VAL 15 Cb 0.64 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 1sd6 h VAL 15 CO 0.05 0.56 0.16 0.24 0.02 0.00 0.00 177.57 178.59 1sd6 h MET 16 N -0.67 0.32 -0.68 1.57 2.86 -1.18 -1.26 114.93 115.88 1sd6 h MET 16 Ca -0.03 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.74 1sd6 h MET 16 Cb 1.02 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1sd6 h MET 16 CO 0.04 0.21 0.46 -0.91 1.06 0.00 0.00 176.91 177.77 1sd6 h ASN 17 N 0.33 0.30 -0.09 1.22 2.35 -0.82 0.58 115.58 119.45 1sd6 h ASN 17 Ca 0.14 0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.69 1sd6 h ASN 17 Cb 0.06 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1sd6 h ASN 17 CO -0.10 0.16 -0.74 0.40 -1.65 0.00 0.00 177.43 175.50 1sd6 h ILE 18 N 0.32 1.29 -0.23 2.81 2.04 -1.33 -2.58 117.51 119.83 1sd6 h ILE 18 Ca 0.33 -1.97 -0.14 0.00 1.00 0.00 0.00 64.86 64.08 1sd6 h ILE 18 Cb 0.85 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1sd6 h ILE 18 CO -0.09 0.62 -0.45 0.40 0.00 0.00 0.00 178.15 178.64 1sd6 h ILE 19 N 0.51 1.30 0.00 -0.67 2.04 0.13 -1.01 117.51 119.82 1sd6 h ILE 19 Ca -0.04 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1sd6 h ILE 19 Cb 1.36 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1sd6 h ILE 19 CO 0.15 0.52 0.00 0.79 0.00 0.00 0.00 178.15 179.61 1sd6 n TRP 20 N -4.01 0.00 -0.07 1.37 8.01 -0.01 -0.02 117.44 122.71 1sd6 n TRP 20 Ca -0.02 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.11 1sd6 n TRP 20 Cb 0.55 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.31 29.65 1sd6 n TRP 20 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.69 176.56 1sd6 n MET 21 N -1.18 0.41 -0.04 -0.99 1.56 -0.46 -4.50 117.12 111.92 1sd6 n MET 21 Ca 0.10 0.31 0.12 0.00 -0.27 0.00 0.00 57.70 57.96 1sd6 n MET 21 Cb 0.11 -1.39 0.51 0.00 2.15 0.00 0.00 33.22 34.60 1sd6 n MET 21 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1sd6 n LYS 22 N -4.17 1.49 0.00 2.12 4.76 -0.73 -4.92 118.16 116.71 1sd6 n LYS 22 Ca -0.09 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 1sd6 n LYS 22 Cb 0.34 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1sd6 n LYS 22 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sd6 n LYS 23 N -0.08 0.00 -4.40 1.97 4.01 0.97 -4.63 118.16 116.00 1sd6 n LYS 23 Ca 0.17 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.71 1sd6 n LYS 23 Cb 0.26 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.61 1sd6 n LYS 23 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1sd6 s TYR 24 N 0.00 1.68 -0.05 2.13 2.02 -1.26 -4.36 117.35 117.50 1sd6 s TYR 24 Ca 0.00 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.93 1sd6 s TYR 24 Cb 0.00 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1sd6 s TYR 24 CO 0.00 -0.40 0.12 0.00 -1.57 0.00 0.00 175.55 173.70 1sd6 s ALA 25 N 1.00 -0.26 0.75 3.71 0.00 -0.43 -4.90 121.76 121.63 1sd6 s ALA 25 Ca -0.08 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1sd6 s ALA 25 Cb -0.15 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1sd6 s ALA 25 CO -0.01 -0.09 1.11 -1.54 0.00 0.00 0.00 175.76 175.23 1sd6 s SER 26 N 0.49 5.01 0.20 0.00 1.04 -1.26 -0.23 113.70 118.95 1sd6 s SER 26 Ca -0.04 1.09 -0.11 0.00 0.48 0.00 0.00 55.95 57.37 1sd6 s SER 26 Cb -0.05 -1.81 0.25 0.00 0.10 0.00 0.00 66.02 64.51 1sd6 s SER 26 CO -0.02 -1.62 1.71 0.00 0.98 0.00 0.00 173.24 174.30 1sd6 h ALA 27 N -0.85 0.66 -0.03 5.32 0.00 -1.99 -1.74 119.26 120.63 1sd6 h ALA 27 Ca -0.46 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1sd6 h ALA 27 Cb 1.27 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1sd6 h ALA 27 CO 0.63 -0.29 -0.28 -0.91 0.00 0.00 0.00 179.25 178.40 1sd6 h ASN 28 N 0.27 0.05 0.09 0.00 2.35 -1.93 -1.03 115.58 115.38 1sd6 h ASN 28 Ca 0.29 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1sd6 h ASN 28 Cb 0.41 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1sd6 h ASN 28 CO -0.36 0.34 -0.04 0.78 -1.65 0.00 0.00 177.43 176.49 1sd6 h ASN 29 N 0.05 -0.10 -0.99 5.81 -0.26 -1.70 0.37 115.58 118.76 1sd6 h ASN 29 Ca 0.01 -0.13 0.11 0.00 -0.56 0.00 0.00 56.30 55.73 1sd6 h ASN 29 Cb 0.53 0.03 -0.08 0.00 -1.06 0.00 0.00 38.32 37.73 1sd6 h ASN 29 CO 0.04 0.06 0.62 0.40 -1.06 0.00 0.00 177.43 177.49 1sd6 h ILE 30 N -0.27 0.93 -0.15 2.81 2.04 -0.86 0.72 117.51 122.73 1sd6 h ILE 30 Ca -0.01 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1sd6 h ILE 30 Cb 0.22 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1sd6 h ILE 30 CO 0.02 0.18 -0.31 0.40 0.00 0.00 0.00 178.15 178.45 1sd6 h ILE 31 N 1.00 1.36 0.01 -0.67 2.04 -1.00 -1.60 117.51 118.64 1sd6 h ILE 31 Ca 0.49 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1sd6 h ILE 31 Cb 0.45 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1sd6 h ILE 31 CO -0.26 0.47 -0.08 -0.08 0.00 0.00 0.00 178.15 178.21 1sd6 h GLU 32 N 0.10 -0.13 0.77 2.37 4.81 0.08 -0.16 114.58 122.42 1sd6 h GLU 32 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1sd6 h GLU 32 Cb 0.90 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1sd6 h GLU 32 CO 0.07 -0.09 -0.48 0.93 -0.73 0.00 0.00 179.01 178.71 1sd6 h GLU 33 N -0.14 -1.13 -0.81 1.92 4.39 -0.94 -3.13 114.58 114.75 1sd6 h GLU 33 Ca 0.03 0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.90 1sd6 h GLU 33 Cb 0.17 0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 1sd6 h GLU 33 CO -0.07 -0.75 0.45 0.82 -1.16 0.00 0.00 179.01 178.30 1sd6 h ILE 34 N -1.17 0.89 0.00 3.13 2.04 -1.24 -1.58 117.51 119.58 1sd6 h ILE 34 Ca -0.10 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1sd6 h ILE 34 Cb 0.94 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1sd6 h ILE 34 CO 0.10 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1sd6 n GLN 35 N -4.76 0.12 0.10 2.37 6.02 -0.08 -1.79 117.38 119.35 1sd6 n GLN 35 Ca 0.13 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.27 1sd6 n GLN 35 Cb 0.28 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 0.11 0.00 -1.09 2.86 -1.29 -3.38 114.93 112.14 1sd6 h MET 36 Ca 0.00 -0.10 -0.40 0.00 -2.06 0.00 0.00 59.70 57.13 1sd6 h MET 36 Cb 0.07 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1sd6 h MET 36 CO 0.00 0.81 -2.34 1.04 1.06 0.00 0.00 176.91 177.48 1sd6 n GLN 37 N -3.72 0.53 -3.95 1.72 3.00 -0.74 -5.02 117.38 109.20 1sd6 n GLN 37 Ca -0.02 0.23 -0.33 0.00 -0.01 0.00 0.00 57.00 56.87 1sd6 n GLN 37 Cb 0.72 -1.39 -0.05 0.00 0.00 0.00 0.00 30.24 29.51 1sd6 n GLN 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1sd6 s LYS 38 N -2.48 3.34 -1.15 -1.09 -0.14 -0.90 -5.04 119.74 112.28 1sd6 s LYS 38 Ca -0.35 -0.39 -0.06 0.00 -1.36 0.00 0.00 55.97 53.82 1sd6 s LYS 38 Cb 0.13 -3.03 0.26 0.00 -1.68 0.00 0.00 37.83 33.52 1sd6 s LYS 38 CO 0.44 0.66 1.61 -0.25 -0.76 0.00 0.00 175.35 177.04 1sd6 n ASP 39 N 0.87 5.98 -4.76 2.83 8.00 -1.26 -4.18 116.55 124.03 1sd6 n ASP 39 Ca -0.10 -3.31 -0.25 0.00 0.71 0.00 0.00 54.79 51.84 1sd6 n ASP 39 Cb 0.52 -1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.22 1sd6 n ASP 39 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1sd6 s TRP 40 N -1.73 3.04 0.58 1.24 0.51 -1.26 -5.12 118.94 116.20 1sd6 s TRP 40 Ca 0.34 -0.08 -0.08 0.00 -2.12 0.00 0.00 56.10 54.15 1sd6 s TRP 40 Cb 0.06 -1.43 -0.02 0.00 -0.81 0.00 0.00 33.47 31.27 1sd6 s TRP 40 CO 0.07 0.53 0.94 -1.54 -0.51 0.00 0.00 176.95 176.44 1sd6 s SER 41 N -3.32 6.05 0.31 2.95 1.04 -1.26 -4.94 113.70 114.53 1sd6 s SER 41 Ca 0.31 1.12 0.03 0.00 0.48 0.00 0.00 55.95 57.89 1sd6 s SER 41 Cb -0.09 -2.22 0.52 0.00 0.10 0.00 0.00 66.02 64.33 1sd6 s SER 41 CO 0.23 -0.86 1.82 -0.65 0.98 0.00 0.00 173.24 174.75 1sd6 h PRO 42 N -0.16 0.54 0.24 4.02 0.11 -1.99 -2.46 132.00 132.30 1sd6 h PRO 42 Ca -0.45 -0.14 0.01 0.00 0.11 0.00 0.00 66.00 65.53 1sd6 h PRO 42 Cb 1.21 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1sd6 h PRO 42 CO 0.62 0.62 -0.39 -0.22 -0.21 0.00 0.00 178.00 178.41 1sd6 h LYS 43 N 0.50 -0.68 -0.55 1.05 3.64 -1.99 0.70 116.57 119.24 1sd6 h LYS 43 Ca 0.10 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 1sd6 h LYS 43 Cb 0.44 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 1sd6 h LYS 43 CO 0.02 -0.45 -0.28 1.15 -2.27 0.00 0.00 179.45 177.62 1sd6 h THR 44 N -0.70 0.24 -0.52 1.00 2.02 -1.86 -1.68 112.91 111.41 1sd6 h THR 44 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1sd6 h THR 44 Cb 0.68 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1sd6 h THR 44 CO -0.16 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 176.00 1sd6 h ILE 45 N -0.14 1.27 -0.54 3.11 2.04 -0.99 -2.82 117.51 119.44 1sd6 h ILE 45 Ca 0.24 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1sd6 h ILE 45 Cb 0.53 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1sd6 h ILE 45 CO -0.63 0.45 0.28 0.03 0.00 0.00 0.00 178.15 178.28 1sd6 h ARG 46 N 0.88 0.74 0.13 2.37 3.08 0.11 -2.23 114.38 119.46 1sd6 h ARG 46 Ca 0.13 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1sd6 h ARG 46 Cb 0.70 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1sd6 h ARG 46 CO 0.05 0.55 -0.07 1.15 -1.07 0.00 0.00 179.97 180.58 1sd6 h THR 47 N 0.74 0.86 -0.69 2.04 2.02 -1.08 -0.96 112.91 115.83 1sd6 h THR 47 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.47 1sd6 h THR 47 Cb 0.04 0.86 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 1sd6 h THR 47 CO -0.03 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.10 1sd6 h LEU 48 N -0.19 0.36 -0.05 2.58 3.38 -1.24 0.01 115.31 120.16 1sd6 h LEU 48 Ca -0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sd6 h LEU 48 Cb 0.15 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sd6 h LEU 48 CO 0.02 0.19 0.03 0.40 0.09 0.00 0.00 178.44 179.18 1sd6 h ILE 49 N 0.52 1.02 -0.50 1.22 2.04 -1.11 -2.07 117.51 118.63 1sd6 h ILE 49 Ca 0.35 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.21 1sd6 h ILE 49 Cb 0.43 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1sd6 h ILE 49 CO -0.31 0.02 0.24 0.74 0.00 0.00 0.00 178.15 178.84 1sd6 h THR 50 N 0.06 0.94 -0.36 -0.27 2.02 0.18 -1.72 112.91 113.75 1sd6 h THR 50 Ca 0.02 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1sd6 h THR 50 Cb 0.00 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1sd6 h THR 50 CO -0.00 0.09 0.24 -0.09 0.37 0.00 0.00 175.52 176.12 1sd6 h ARG 51 N 0.47 0.42 0.00 6.66 2.43 -0.76 0.27 114.38 123.88 1sd6 h ARG 51 Ca 0.22 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1sd6 h ARG 51 Cb 0.15 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1sd6 h ARG 51 CO -0.17 0.28 -0.78 -0.07 -1.51 0.00 0.00 179.97 177.72 1sd6 h LEU 52 N 0.44 0.00 0.47 3.80 3.38 -0.73 -1.54 115.31 121.13 1sd6 h LEU 52 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1sd6 h LEU 52 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sd6 h LEU 52 CO -0.03 0.78 -0.23 0.22 0.09 0.00 0.00 178.44 179.27 1sd6 h TYR 53 N 0.00 -0.59 -0.79 1.13 3.20 -0.39 0.20 116.97 119.73 1sd6 h TYR 53 Ca -0.01 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.04 1sd6 h TYR 53 Cb 1.49 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.91 1sd6 h TYR 53 CO 0.00 -0.37 0.54 0.87 -1.64 0.00 0.00 178.16 177.57 1sd6 h LYS 54 N -1.15 0.21 0.00 1.82 1.79 -0.61 0.22 116.57 118.86 1sd6 h LYS 54 Ca -0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1sd6 h LYS 54 Cb 0.49 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1sd6 h LYS 54 CO 0.11 0.14 0.00 -0.22 -1.08 0.00 0.00 179.45 178.40 1sd6 h LYS 55 N 0.22 0.00 0.00 3.15 1.63 -1.22 -3.48 116.57 116.87 1sd6 h LYS 55 Ca 0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1sd6 h LYS 55 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1sd6 h LYS 55 CO -0.08 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.33 1sd6 n GLY 56 N 1.23 0.43 0.09 5.01 0.00 0.78 -4.94 105.19 107.78 1sd6 n GLY 56 Ca 0.05 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 0.13 -4.17 1.61 -1.00 -0.85 -3.45 116.94 109.20 1sd6 h PHE 57 Ca 0.00 -0.09 -0.24 0.00 2.81 0.00 0.00 57.97 60.45 1sd6 h PHE 57 Cb 0.23 -0.01 -0.15 0.00 3.61 0.00 0.00 35.95 39.64 1sd6 h PHE 57 CO 0.00 1.14 -0.64 0.96 -1.61 0.00 0.00 178.31 178.15 1sd6 s ILE 58 N -2.62 0.31 0.30 -0.55 -4.36 -1.15 -1.07 121.20 112.06 1sd6 s ILE 58 Ca -0.06 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1sd6 s ILE 58 Cb 0.08 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 1sd6 s ILE 58 CO 0.82 -0.36 0.24 -0.62 0.24 0.00 0.00 174.94 175.27 1sd6 s ASP 59 N -3.13 1.32 0.02 4.36 3.68 -0.57 -4.40 116.67 117.94 1sd6 s ASP 59 Ca 0.27 -1.67 0.01 0.00 2.13 0.00 0.00 52.55 53.29 1sd6 s ASP 59 Cb 0.07 0.51 -0.01 0.00 -1.45 0.00 0.00 42.92 42.04 1sd6 s ASP 59 CO 0.05 -1.01 -0.03 0.00 0.13 0.00 0.00 175.17 174.31 1sd6 s ARG 60 N -3.62 0.28 0.00 4.34 1.04 -1.26 -0.27 118.95 119.46 1sd6 s ARG 60 Ca 0.40 -0.43 0.00 0.00 -1.04 0.00 0.00 55.73 54.66 1sd6 s ARG 60 Cb 0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 34.95 32.90 1sd6 s ARG 60 CO 0.24 -0.00 0.00 1.63 -0.04 0.00 0.00 175.30 177.13 1sd6 n LYS 61 N 2.10 3.73 -2.71 3.89 5.02 0.14 -4.93 118.16 125.41 1sd6 n LYS 61 Ca -0.19 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 1sd6 n LYS 61 Cb 0.57 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.68 1sd6 n LYS 61 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1sd6 n LYS 62 N 0.00 1.16 -1.65 1.97 4.81 -1.26 -3.51 118.16 119.69 1sd6 n LYS 62 Ca 0.00 -2.04 -0.52 0.00 -0.87 0.00 0.00 58.31 54.88 1sd6 n LYS 62 Cb 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.64 1sd6 n LYS 62 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1sd6 n ASP 63 N -0.39 2.83 0.00 3.14 -0.08 -1.00 -4.45 116.55 116.59 1sd6 n ASP 63 Ca 0.00 0.89 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1sd6 n ASP 63 Cb 0.82 -1.27 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1sd6 n ASP 63 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1sd6 n ASN 64 N 6.94 0.00 0.08 1.67 4.13 -1.26 -2.75 115.26 124.07 1sd6 n ASN 64 Ca 0.28 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.45 1sd6 n ASN 64 Cb 0.23 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.38 1sd6 n ASN 64 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1sd6 h LYS 65 N 0.00 0.08 -6.86 3.52 3.11 -2.04 -3.46 116.57 110.92 1sd6 h LYS 65 Ca 0.00 -0.12 -0.52 0.00 -2.81 0.00 0.00 60.65 57.20 1sd6 h LYS 65 Cb 0.00 0.04 0.05 0.00 -1.00 0.00 0.00 32.23 31.32 1sd6 h LYS 65 CO 0.00 1.00 0.59 0.42 -2.81 0.00 0.00 179.45 178.65 1sd6 s ILE 66 N -2.85 2.93 -0.31 2.00 1.09 -1.11 -5.03 121.20 117.92 1sd6 s ILE 66 Ca -0.01 0.94 -0.19 0.00 -1.10 0.00 0.00 60.65 60.29 1sd6 s ILE 66 Cb 0.10 -3.60 -0.01 0.00 -1.06 0.00 0.00 42.46 37.89 1sd6 s ILE 66 CO 0.83 0.22 0.58 -0.36 -0.10 0.00 0.00 174.94 176.11 1sd6 s PHE 67 N -1.15 3.21 -0.26 3.97 2.99 -1.26 -2.38 117.98 123.09 1sd6 s PHE 67 Ca 0.48 0.48 -0.10 0.00 0.00 0.00 0.00 56.93 57.79 1sd6 s PHE 67 Cb -0.37 -2.94 -0.04 0.00 0.00 0.00 0.00 43.02 39.66 1sd6 s PHE 67 CO 0.49 -0.47 0.15 -0.65 -0.00 0.00 0.00 175.22 174.74 1sd6 s GLN 68 N 2.52 3.89 0.14 0.44 -1.52 -1.23 -3.96 119.66 119.94 1sd6 s GLN 68 Ca 0.23 -0.35 -0.21 0.00 -1.95 0.00 0.00 55.36 53.08 1sd6 s GLN 68 Cb -0.15 -3.53 -0.07 0.00 -0.22 0.00 0.00 33.01 29.03 1sd6 s GLN 68 CO 0.12 -0.13 0.66 0.71 -0.25 0.00 0.00 175.29 176.41 1sd6 s TYR 69 N 1.55 3.78 0.18 0.91 1.51 0.67 -0.68 117.35 125.28 1sd6 s TYR 69 Ca 0.07 1.38 -0.01 0.00 -1.01 0.00 0.00 57.07 57.50 1sd6 s TYR 69 Cb -0.15 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1sd6 s TYR 69 CO 0.08 0.50 0.09 1.52 -1.11 0.00 0.00 175.55 176.62 1sd6 s TYR 70 N -1.25 1.09 -0.01 2.71 1.13 0.63 -1.31 117.35 120.34 1sd6 s TYR 70 Ca 0.35 -1.28 -0.17 0.00 -1.41 0.00 0.00 57.07 54.56 1sd6 s TYR 70 Cb -0.19 -0.57 -0.06 0.00 -1.10 0.00 0.00 41.96 40.04 1sd6 s TYR 70 CO 0.22 -0.53 0.48 0.45 -2.51 0.00 0.00 175.55 173.65 1sd6 s SER 71 N -3.13 6.85 -0.11 -0.18 0.15 -1.26 -1.51 113.70 114.51 1sd6 s SER 71 Ca 0.32 1.01 0.16 0.00 0.70 0.00 0.00 55.95 58.14 1sd6 s SER 71 Cb 0.07 -2.29 0.58 0.00 -1.71 0.00 0.00 66.02 62.67 1sd6 s SER 71 CO 0.08 0.21 1.50 0.18 1.20 0.00 0.00 173.24 176.41 1sd6 n LEU 72 N 2.34 4.17 -4.30 3.45 4.77 -0.23 -4.89 117.00 122.32 1sd6 n LEU 72 Ca -0.11 -2.49 -0.27 0.00 -0.03 0.00 0.00 56.01 53.11 1sd6 n LEU 72 Cb 0.52 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1sd6 n LEU 72 CO 0.40 0.76 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.99 1sd6 s VAL 73 N -1.91 1.87 -0.61 4.08 1.01 -1.22 -4.96 120.40 118.67 1sd6 s VAL 73 Ca 0.43 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1sd6 s VAL 73 Cb 0.29 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1sd6 s VAL 73 CO 0.19 0.21 1.44 -0.70 0.00 0.00 0.00 175.10 176.24 1sd6 s GLU 74 N -1.36 3.19 0.03 2.72 -6.30 -1.26 -4.93 118.70 110.78 1sd6 s GLU 74 Ca 0.09 0.31 -0.09 0.00 -2.50 0.00 0.00 54.97 52.78 1sd6 s GLU 74 Cb -0.09 -4.17 -0.04 0.00 0.00 0.00 0.00 34.13 29.83 1sd6 s GLU 74 CO 0.03 -2.09 1.14 1.49 0.02 0.00 0.00 175.26 175.85 1sd6 h GLU 75 N 11.30 -0.20 -0.17 4.30 4.81 -2.00 0.10 114.58 132.73 1sd6 h GLU 75 Ca -0.27 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1sd6 h GLU 75 Cb 1.09 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1sd6 h GLU 75 CO 1.21 -0.13 0.22 0.66 -0.73 0.00 0.00 179.01 180.24 1sd6 h SER 76 N -0.21 0.00 0.01 1.04 4.64 -1.99 -2.21 113.55 114.82 1sd6 h SER 76 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sd6 h SER 76 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1sd6 h SER 76 CO -0.06 0.00 -0.00 0.44 -0.87 0.00 0.00 176.83 176.33 1sd6 h ASP 77 N 0.00 -0.01 -0.60 4.97 3.45 -1.76 -2.94 116.42 119.53 1sd6 h ASP 77 Ca 0.08 -0.81 -0.06 0.00 0.43 0.00 0.00 57.03 56.68 1sd6 h ASP 77 Cb 0.53 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1sd6 h ASP 77 CO -0.00 0.84 0.16 -0.29 -1.57 0.00 0.00 179.24 178.38 1sd6 h ILE 78 N -0.89 1.25 -0.94 0.35 2.10 -0.73 -0.88 117.51 117.77 1sd6 h ILE 78 Ca -0.00 -0.88 0.00 0.00 1.08 0.00 0.00 64.86 65.06 1sd6 h ILE 78 Cb 0.82 0.67 -0.05 0.00 -1.09 0.00 0.00 36.82 37.18 1sd6 h ILE 78 CO 0.00 0.33 0.59 0.11 -1.08 0.00 0.00 178.15 178.11 1sd6 h LYS 79 N 0.87 1.25 0.59 2.19 1.57 -1.56 0.32 116.57 121.81 1sd6 h LYS 79 Ca 0.19 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1sd6 h LYS 79 Cb 0.33 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1sd6 h LYS 79 CO -0.00 0.85 -0.28 -0.92 -0.57 0.00 0.00 179.45 178.53 1sd6 h TYR 80 N 1.28 -0.73 -0.39 -1.35 3.20 -1.30 -0.24 116.97 117.45 1sd6 h TYR 80 Ca 0.34 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.28 1sd6 h TYR 80 Cb -0.10 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1sd6 h TYR 80 CO 0.00 -0.40 0.27 -0.22 -1.64 0.00 0.00 178.16 176.17 1sd6 h LYS 81 N -0.97 0.11 -0.11 1.82 1.63 -0.83 -0.31 116.57 117.90 1sd6 h LYS 81 Ca -0.08 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.58 1sd6 h LYS 81 Cb 0.66 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1sd6 h LYS 81 CO 0.13 0.07 -0.52 1.15 -3.45 0.00 0.00 179.45 176.83 1sd6 h THR 82 N 0.11 1.35 0.01 1.00 2.02 0.22 -2.73 112.91 114.88 1sd6 h THR 82 Ca 0.18 -1.78 -0.19 0.00 0.77 0.00 0.00 66.41 65.39 1sd6 h THR 82 Cb 0.58 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1sd6 h THR 82 CO -0.02 0.53 -0.87 0.28 0.37 0.00 0.00 175.52 175.82 1sd6 h SER 83 N 0.24 0.08 -0.25 4.18 0.02 0.45 -1.37 113.55 116.91 1sd6 h SER 83 Ca 0.01 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1sd6 h SER 83 Cb 1.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1sd6 h SER 83 CO 0.08 0.91 0.14 0.11 -1.14 0.00 0.00 176.83 176.93 1sd6 h LYS 84 N 0.03 0.34 -0.65 3.45 1.79 -0.96 0.41 116.57 120.98 1sd6 h LYS 84 Ca -0.02 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 1sd6 h LYS 84 Cb 1.52 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 1sd6 h LYS 84 CO 0.12 0.31 0.07 -0.91 -1.08 0.00 0.00 179.45 177.95 1sd6 h ASN 85 N 0.29 1.07 0.24 0.86 -0.26 -1.42 -1.59 115.58 114.77 1sd6 h ASN 85 Ca 0.09 -0.27 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1sd6 h ASN 85 Cb 0.06 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 1sd6 h ASN 85 CO -0.01 1.08 -0.22 0.15 -1.06 0.00 0.00 177.43 177.36 1sd6 h PHE 86 N 1.02 -0.58 -0.02 1.19 3.57 -0.86 -2.58 116.94 118.67 1sd6 h PHE 86 Ca 0.19 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1sd6 h PHE 86 Cb 0.49 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1sd6 h PHE 86 CO 0.04 -0.33 -0.14 0.82 -2.23 0.00 0.00 178.31 176.47 1sd6 h ILE 87 N -0.49 0.65 -1.04 1.41 2.04 -0.75 -2.01 117.51 117.33 1sd6 h ILE 87 Ca -0.01 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.14 1sd6 h ILE 87 Cb 0.44 0.65 -0.13 0.00 -0.74 0.00 0.00 36.82 37.05 1sd6 h ILE 87 CO -0.04 0.00 0.62 0.78 0.00 0.00 0.00 178.15 179.51 1sd6 h ASN 88 N -0.22 0.55 0.16 1.72 -0.26 -1.19 -1.26 115.58 115.08 1sd6 h ASN 88 Ca 0.05 0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 1sd6 h ASN 88 Cb 0.29 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1sd6 h ASN 88 CO -0.15 0.00 -0.08 0.50 -1.06 0.00 0.00 177.43 176.64 1sd6 h LYS 89 N 0.42 -0.21 0.21 0.81 3.64 -1.01 -3.43 116.57 116.99 1sd6 h LYS 89 Ca 0.68 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 60.06 1sd6 h LYS 89 Cb 1.53 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1sd6 h LYS 89 CO -0.48 -0.14 -0.10 0.28 -2.27 0.00 0.00 179.45 176.74 1sd6 h VAL 90 N -0.53 0.02 -2.47 2.00 2.07 -1.18 -3.42 116.25 112.75 1sd6 h VAL 90 Ca -0.02 -0.80 -0.69 0.00 0.82 0.00 0.00 66.70 66.00 1sd6 h VAL 90 Cb 0.17 0.03 -0.18 0.00 -1.52 0.00 0.00 31.29 29.79 1sd6 h VAL 90 CO 0.04 0.00 0.80 -0.31 0.02 0.00 0.00 177.57 178.12 1sd6 s TYR 91 N -2.48 3.15 0.51 1.57 2.02 -0.49 -4.86 117.35 116.76 1sd6 s TYR 91 Ca -0.04 -1.41 0.22 0.00 -0.37 0.00 0.00 57.07 55.46 1sd6 s TYR 91 Cb 0.00 -4.26 1.31 0.00 -0.40 0.00 0.00 41.96 38.61 1sd6 s TYR 91 CO 0.13 -1.47 2.00 1.57 -1.57 0.00 0.00 175.55 176.22 1sd6 h LYS 92 N 8.79 0.08 -0.51 -0.62 2.10 -1.82 -1.71 116.57 122.89 1sd6 h LYS 92 Ca 0.15 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1sd6 h LYS 92 Cb 1.03 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1sd6 h LYS 92 CO 1.09 0.06 0.00 0.41 -2.00 0.00 0.00 179.45 179.01 1sd6 n GLY 93 N -1.61 0.31 0.64 0.07 0.00 -1.26 -5.01 105.19 98.33 1sd6 n GLY 93 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.23 -2.19 0.33 -0.02 0.00 -0.64 -3.84 105.19 99.06 1sd6 n GLY 94 Ca 0.00 -1.47 0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.22 0.49 -0.15 1.61 3.57 -1.95 0.22 116.94 120.51 1sd6 h PHE 95 Ca 0.00 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1sd6 h PHE 95 Cb 0.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1sd6 h PHE 95 CO 0.00 -0.39 -0.20 -0.91 -2.23 0.00 0.00 178.31 174.58 1sd6 h ASN 96 N 0.07 0.24 -0.57 0.41 4.21 -1.98 -2.17 115.58 115.79 1sd6 h ASN 96 Ca 0.71 -0.06 0.02 0.00 1.21 0.00 0.00 56.30 58.18 1sd6 h ASN 96 Cb 1.69 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 38.79 1sd6 h ASN 96 CO -0.78 0.46 0.36 0.28 -1.29 0.00 0.00 177.43 176.45 1sd6 h SER 97 N 0.23 0.60 0.22 5.81 0.02 -0.67 0.11 113.55 119.87 1sd6 h SER 97 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sd6 h SER 97 Cb 0.49 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1sd6 h SER 97 CO 0.03 0.43 -0.21 0.25 -1.14 0.00 0.00 176.83 176.19 1sd6 h LEU 98 N 0.72 -0.56 -0.35 5.07 6.46 -1.35 0.02 115.31 125.32 1sd6 h LEU 98 Ca 0.22 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1sd6 h LEU 98 Cb -0.03 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1sd6 h LEU 98 CO -0.08 -0.32 0.13 0.58 -0.62 0.00 0.00 178.44 178.14 1sd6 h VAL 99 N -0.46 1.19 -0.69 1.05 2.07 -1.17 0.24 116.25 118.49 1sd6 h VAL 99 Ca -0.00 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1sd6 h VAL 99 Cb 0.43 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1sd6 h VAL 99 CO -0.04 0.21 0.45 0.25 0.02 0.00 0.00 177.57 178.47 1sd6 h LEU 100 N 0.41 0.73 -0.05 2.57 5.85 -0.66 -0.40 115.31 123.75 1sd6 h LEU 100 Ca 0.11 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.61 1sd6 h LEU 100 Cb 0.21 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1sd6 h LEU 100 CO -0.01 0.50 -0.80 -1.13 -0.34 0.00 0.00 178.44 176.67 1sd6 h ASN 101 N 0.84 0.79 -0.01 1.25 -0.73 -0.67 -2.96 115.58 114.10 1sd6 h ASN 101 Ca 0.27 -0.70 -0.09 0.00 1.87 0.00 0.00 56.30 57.65 1sd6 h ASN 101 Cb 0.04 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 1sd6 h ASN 101 CO -0.07 1.38 -0.23 0.15 -0.37 0.00 0.00 177.43 178.28 1sd6 h PHE 102 N 0.28 0.45 -0.10 0.67 3.04 0.01 -2.58 116.94 118.71 1sd6 h PHE 102 Ca -0.08 -0.09 -0.06 0.00 3.98 0.00 0.00 57.97 61.72 1sd6 h PHE 102 Cb 1.45 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.85 1sd6 h PHE 102 CO 0.11 0.62 -0.17 0.28 -2.02 0.00 0.00 178.31 177.13 1sd6 h VAL 103 N 0.37 1.39 -0.01 1.41 2.07 -1.15 0.18 116.25 120.50 1sd6 h VAL 103 Ca 0.06 -1.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.02 1sd6 h VAL 103 Cb 0.62 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1sd6 h VAL 103 CO 0.04 0.41 -0.56 1.05 0.02 0.00 0.00 177.57 178.54 1sd6 h GLU 104 N -0.16 0.04 0.08 1.57 4.11 -1.56 -3.31 114.58 115.35 1sd6 h GLU 104 Ca 0.01 -0.03 -0.35 0.00 0.07 0.00 0.00 59.36 59.06 1sd6 h GLU 104 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1sd6 h GLU 104 CO 0.04 0.59 -1.94 1.17 0.07 0.00 0.00 179.01 178.94 1sd6 n LYS 105 N -3.88 0.72 -3.07 1.06 3.00 -0.97 -4.86 118.16 110.15 1sd6 n LYS 105 Ca -0.01 0.26 -0.40 0.00 -0.00 0.00 0.00 58.31 58.16 1sd6 n LYS 105 Cb 0.57 -1.72 -0.05 0.00 0.00 0.00 0.00 35.03 33.82 1sd6 n LYS 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1sd6 s GLU 106 N -2.57 4.41 -0.65 1.64 2.56 0.63 -4.98 118.70 119.75 1sd6 s GLU 106 Ca -0.18 0.83 -0.25 0.00 0.00 0.00 0.00 54.97 55.37 1sd6 s GLU 106 Cb 0.07 -3.46 0.05 0.00 2.00 0.00 0.00 34.13 32.79 1sd6 s GLU 106 CO 0.78 0.05 1.08 -2.00 -0.56 0.00 0.00 175.26 174.61 1sd6 s GLU 107 N 0.88 3.23 0.01 4.30 2.12 -1.26 -4.74 118.70 123.24 1sd6 s GLU 107 Ca 0.36 -0.40 -0.19 0.00 0.36 0.00 0.00 54.97 55.10 1sd6 s GLU 107 Cb -0.17 -4.15 -0.06 0.00 0.26 0.00 0.00 34.13 30.01 1sd6 s GLU 107 CO 0.17 -1.83 0.53 -0.51 -0.54 0.00 0.00 175.26 173.07 1sd6 s LEU 108 N 4.66 4.46 0.58 2.70 1.43 -1.26 -5.07 118.68 126.17 1sd6 s LEU 108 Ca 0.30 1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 1sd6 s LEU 108 Cb -0.12 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1sd6 s LEU 108 CO 0.15 0.20 1.06 -0.94 0.23 0.00 0.00 176.35 177.05 1sd6 s SER 109 N -0.63 5.86 0.25 2.29 1.04 -1.26 -4.79 113.70 116.45 1sd6 s SER 109 Ca 0.28 1.84 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 1sd6 s SER 109 Cb -0.18 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 63.90 1sd6 s SER 109 CO 0.16 -1.11 1.71 -0.61 0.98 0.00 0.00 173.24 174.37 1sd6 h GLN 110 N 0.62 0.37 -0.55 4.02 5.75 -1.98 0.47 115.11 123.81 1sd6 h GLN 110 Ca -0.47 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1sd6 h GLN 110 Cb 1.22 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 1sd6 h GLN 110 CO 0.58 0.25 0.36 -0.44 -2.65 0.00 0.00 178.83 176.92 1sd6 h ASP 111 N 0.38 0.64 -0.55 -0.69 3.45 -1.99 0.26 116.42 117.93 1sd6 h ASP 111 Ca 0.44 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.85 1sd6 h ASP 111 Cb 0.72 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 1sd6 h ASP 111 CO -0.46 0.47 0.25 -0.33 -1.57 0.00 0.00 179.24 177.61 1sd6 h GLU 112 N 0.75 0.81 -0.07 3.56 5.08 -1.32 0.10 114.58 123.49 1sd6 h GLU 112 Ca 0.20 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1sd6 h GLU 112 Cb -0.07 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1sd6 h GLU 112 CO -0.04 0.68 0.02 0.82 -1.00 0.00 0.00 179.01 179.48 1sd6 h ILE 113 N 0.75 1.19 -0.57 3.13 2.04 0.44 -2.54 117.51 121.95 1sd6 h ILE 113 Ca 0.19 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1sd6 h ILE 113 Cb 0.15 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1sd6 h ILE 113 CO -0.02 0.16 0.36 -0.33 0.00 0.00 0.00 178.15 178.32 1sd6 h GLU 114 N -0.11 0.76 -0.86 2.37 4.39 -0.31 -1.63 114.58 119.19 1sd6 h GLU 114 Ca 0.02 -0.06 0.21 0.00 0.34 0.00 0.00 59.36 59.88 1sd6 h GLU 114 Cb 0.24 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1sd6 h GLU 114 CO 0.00 0.52 0.59 1.49 -1.16 0.00 0.00 179.01 180.45 1sd6 h GLU 115 N 0.77 0.26 0.00 2.33 4.22 -0.66 0.36 114.58 121.86 1sd6 h GLU 115 Ca 0.21 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.55 1sd6 h GLU 115 Cb -0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1sd6 h GLU 115 CO -0.04 0.17 -0.39 -0.07 -2.18 0.00 0.00 179.01 176.50 1sd6 h LEU 116 N 0.27 0.00 0.40 1.64 3.38 -0.88 -3.23 115.31 116.89 1sd6 h LEU 116 Ca 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 1sd6 h LEU 116 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1sd6 h LEU 116 CO -0.12 0.39 -0.19 0.03 0.09 0.00 0.00 178.44 178.64 1sd6 h ARG 117 N 0.00 -0.51 0.00 1.13 3.08 0.13 -3.17 114.38 115.03 1sd6 h ARG 117 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1sd6 h ARG 117 Cb 1.25 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1sd6 h ARG 117 CO 0.05 -0.27 0.00 0.27 -1.07 0.00 0.00 179.97 178.95 1sd6 n ASN 118 N -5.14 0.00 0.09 7.04 6.94 -1.10 -0.33 115.26 122.76 1sd6 n ASN 118 Ca -0.08 0.15 -0.07 0.00 -0.02 0.00 0.00 54.58 54.57 1sd6 n ASN 118 Cb 0.25 -0.29 0.01 0.00 -2.36 0.00 0.00 39.78 37.38 1sd6 n ASN 118 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1sd6 h ILE 119 N 0.00 1.53 0.00 1.53 2.04 -1.57 -2.58 117.51 118.46 1sd6 h ILE 119 Ca 0.00 -2.67 -0.11 0.00 1.00 0.00 0.00 64.86 63.09 1sd6 h ILE 119 Cb 0.10 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1sd6 h ILE 119 CO 0.00 0.77 -0.69 -0.07 0.00 0.00 0.00 178.15 178.16 1sd6 h LEU 120 N 0.06 0.00 0.00 1.44 3.38 -0.66 -3.32 115.31 116.22 1sd6 h LEU 120 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1sd6 h LEU 120 Cb 1.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1sd6 h LEU 120 CO 0.12 0.47 -0.86 0.78 0.09 0.00 0.00 178.44 179.04 1sd6 h ASN 121 N 0.00 0.00 0.00 -0.43 2.35 -1.34 -3.39 115.58 112.78 1sd6 h ASN 121 Ca -0.04 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.07 1sd6 h ASN 121 Cb 1.39 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.76 1sd6 h ASN 121 CO 0.05 0.65 2.92 0.29 -1.65 0.00 0.00 177.43 179.69 1sd6 n LYS 122 N -3.17 2.45 -0.68 0.81 4.76 -0.98 -5.09 118.16 116.27 1sd6 n LYS 122 Ca -0.02 -2.14 0.00 0.00 -2.87 0.00 0.00 58.31 53.28 1sd6 n LYS 122 Cb 0.82 -2.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 1sd6 n LYS 122 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66