#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg1 n SER 66 N 0.00 5.35 0.06 1.61 3.41 -1.26 -4.58 113.62 118.21 2hg1 n SER 66 Ca 0.00 -3.72 -0.21 0.00 -0.26 0.00 0.00 58.87 54.68 2hg1 n SER 66 Cb 0.00 -0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 63.01 2hg1 n SER 66 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2hg1 h HIS 67 N 1.52 1.04 -0.62 7.33 -0.00 -2.04 -2.23 115.15 120.16 2hg1 h HIS 67 Ca 0.55 -0.59 0.04 0.00 -0.00 0.00 0.00 60.37 60.36 2hg1 h HIS 67 Cb 1.74 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 29.00 2hg1 h HIS 67 CO 1.40 1.43 0.37 0.52 -0.00 0.00 0.00 177.93 181.64 2hg1 h MET 68 N 0.36 0.69 -0.08 5.12 0.00 -1.97 -0.25 114.93 118.79 2hg1 h MET 68 Ca -0.15 -0.04 -0.21 0.00 0.00 0.00 0.00 59.70 59.30 2hg1 h MET 68 Cb 1.77 -0.15 0.01 0.00 0.00 0.00 0.00 31.60 33.23 2hg1 h MET 68 CO 0.22 0.45 -0.78 -0.07 0.00 0.00 0.00 176.91 176.74 2hg1 h LEU 69 N 0.71 0.82 -1.08 1.22 3.38 -1.91 0.01 115.31 118.46 2hg1 h LEU 69 Ca 0.26 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 2hg1 h LEU 69 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2hg1 h LEU 69 CO -0.13 1.38 -0.12 0.03 0.09 0.00 0.00 178.44 179.70 2hg1 h ARG 70 N 0.33 0.52 -0.01 1.13 3.08 -1.21 -2.77 114.38 115.44 2hg1 h ARG 70 Ca -0.07 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2hg1 h ARG 70 Cb 1.43 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2hg1 h ARG 70 CO 0.16 0.63 -0.28 0.39 -1.07 0.00 0.00 179.97 179.80 2hg1 n GLU 71 N -4.20 1.26 -2.22 0.04 1.02 -0.12 -4.95 120.64 111.46 2hg1 n GLU 71 Ca 0.01 -0.91 -0.19 0.00 -0.02 0.00 0.00 57.16 56.04 2hg1 n GLU 71 Cb 0.32 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2hg1 n GLU 71 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hg1 n LYS 72 N -0.08 -1.52 0.22 3.49 4.01 -0.61 -4.86 118.16 118.82 2hg1 n LYS 72 Ca 0.12 0.99 0.18 0.00 -0.51 0.00 0.00 58.31 59.09 2hg1 n LYS 72 Cb 0.42 -5.53 0.80 0.00 -0.51 0.00 0.00 35.03 30.22 2hg1 n LYS 72 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2hg1 h SER 73 N 0.00 0.00 0.82 4.39 0.02 -1.30 -0.84 113.55 116.64 2hg1 h SER 73 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2hg1 h SER 73 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2hg1 h SER 73 CO 0.55 0.00 -0.13 -0.62 -1.14 0.00 0.00 176.83 175.50 2hg1 n GLU 74 N -3.35 0.07 -3.57 3.45 1.02 -1.26 -4.86 120.64 112.13 2hg1 n GLU 74 Ca 0.02 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.78 2hg1 n GLU 74 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 2hg1 n GLU 74 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2hg1 s LYS 75 N -2.94 3.98 0.23 3.49 1.02 -0.32 -1.58 119.74 123.61 2hg1 s LYS 75 Ca 0.15 0.20 0.04 0.00 0.02 0.00 0.00 55.97 56.38 2hg1 s LYS 75 Cb 0.19 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 2hg1 s LYS 75 CO 0.56 0.51 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.42 2hg1 s PHE 76 N -0.39 1.58 0.10 3.18 0.40 0.15 -5.01 117.98 117.99 2hg1 s PHE 76 Ca 0.20 -0.88 0.07 0.00 -0.60 0.00 0.00 56.93 55.71 2hg1 s PHE 76 Cb -0.14 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 2hg1 s PHE 76 CO 0.08 0.01 -0.08 0.00 0.70 0.00 0.00 175.22 175.93 2hg1 s ALA 77 N -3.36 3.02 0.50 5.36 0.00 -1.26 -2.54 121.76 123.47 2hg1 s ALA 77 Ca 0.27 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 2hg1 s ALA 77 Cb 0.05 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 2hg1 s ALA 77 CO 0.08 0.65 1.01 -0.06 0.00 0.00 0.00 175.76 177.44 2hg1 s PHE 78 N -1.23 3.18 0.51 0.00 0.40 -1.26 -4.95 117.98 114.62 2hg1 s PHE 78 Ca 0.22 1.55 -0.21 0.00 -0.60 0.00 0.00 56.93 57.89 2hg1 s PHE 78 Cb -0.11 -2.94 -0.07 0.00 0.51 0.00 0.00 43.02 40.41 2hg1 s PHE 78 CO 0.15 -0.60 1.13 -1.14 0.70 0.00 0.00 175.22 175.45 2hg1 s GLN 79 N -3.58 3.53 0.15 0.44 0.74 -1.07 -4.87 119.66 114.99 2hg1 s GLN 79 Ca 0.63 1.64 -0.23 0.00 0.05 0.00 0.00 55.36 57.46 2hg1 s GLN 79 Cb -0.13 -2.15 0.03 0.00 1.10 0.00 0.00 33.01 31.86 2hg1 s GLN 79 CO 0.24 -0.71 1.62 0.00 -0.55 0.00 0.00 175.29 175.89 2hg1 h ALA 80 N 1.51 -0.17 -0.89 1.58 0.00 -1.95 -1.48 119.26 117.87 2hg1 h ALA 80 Ca -0.50 0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.66 2hg1 h ALA 80 Cb 1.25 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.52 2hg1 h ALA 80 CO 0.58 -0.69 0.58 0.93 0.00 0.00 0.00 179.25 180.65 2hg1 h GLU 81 N -0.27 0.50 -0.35 0.00 3.07 -1.98 -1.14 114.58 114.40 2hg1 h GLU 81 Ca 0.13 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.87 2hg1 h GLU 81 Cb 0.48 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2hg1 h GLU 81 CO -0.40 0.33 -0.15 0.28 -1.40 0.00 0.00 179.01 177.67 2hg1 h VAL 82 N 0.51 1.28 -0.24 3.13 2.07 -1.63 0.37 116.25 121.75 2hg1 h VAL 82 Ca 0.46 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2hg1 h VAL 82 Cb 0.99 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2hg1 h VAL 82 CO -0.20 0.41 0.14 0.78 0.02 0.00 0.00 177.57 178.73 2hg1 h ASN 83 N 0.51 0.29 -0.81 0.57 2.35 -0.78 0.20 115.58 117.91 2hg1 h ASN 83 Ca 0.08 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2hg1 h ASN 83 Cb 0.68 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 2hg1 h ASN 83 CO 0.05 0.26 0.51 0.03 -1.65 0.00 0.00 177.43 176.63 2hg1 h ARG 84 N 0.30 0.94 0.05 0.81 3.08 -1.22 -2.21 114.38 116.13 2hg1 h ARG 84 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2hg1 h ARG 84 Cb 0.03 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2hg1 h ARG 84 CO -0.02 0.62 -0.03 1.98 -1.07 0.00 0.00 179.97 181.46 2hg1 h MET 85 N 0.96 -0.07 -0.93 0.04 4.05 -0.25 -1.74 114.93 116.99 2hg1 h MET 85 Ca 0.34 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.92 2hg1 h MET 85 Cb 0.08 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.82 2hg1 h MET 85 CO -0.14 0.09 0.59 0.52 0.23 0.00 0.00 176.91 178.20 2hg1 h MET 86 N -0.22 0.67 -0.30 0.39 2.86 -0.29 -1.03 114.93 117.02 2hg1 h MET 86 Ca -0.01 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2hg1 h MET 86 Cb 0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2hg1 h MET 86 CO 0.01 0.45 -0.20 0.87 1.06 0.00 0.00 176.91 179.10 2hg1 h LYS 87 N 0.69 0.66 -0.82 1.72 1.57 -1.11 -2.26 116.57 117.02 2hg1 h LYS 87 Ca 0.48 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2hg1 h LYS 87 Cb 0.80 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 2hg1 h LYS 87 CO -0.24 0.91 0.38 -0.07 -0.57 0.00 0.00 179.45 179.86 2hg1 h LEU 88 N 0.41 1.09 -0.38 2.94 3.38 -0.41 0.37 115.31 122.71 2hg1 h LEU 88 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2hg1 h LEU 88 Cb 0.74 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2hg1 h LEU 88 CO 0.05 0.93 0.07 0.40 0.09 0.00 0.00 178.44 179.98 2hg1 h ILE 89 N 1.18 1.24 -0.52 1.22 2.04 -1.18 -1.88 117.51 119.61 2hg1 h ILE 89 Ca 0.28 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 2hg1 h ILE 89 Cb 0.14 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2hg1 h ILE 89 CO -0.03 0.29 -0.10 0.40 0.00 0.00 0.00 178.15 178.71 2hg1 h ILE 90 N 0.47 1.27 0.00 -0.67 5.03 -1.15 -1.93 117.51 120.52 2hg1 h ILE 90 Ca 0.12 -1.24 -0.01 0.00 -0.12 0.00 0.00 64.86 63.61 2hg1 h ILE 90 Cb 0.36 1.01 -0.00 0.00 -3.03 0.00 0.00 36.82 35.15 2hg1 h ILE 90 CO 0.01 0.43 -0.05 0.78 -0.68 0.00 0.00 178.15 178.64 2hg1 h ASN 91 N 0.84 0.00 0.00 1.72 2.35 -0.85 -3.18 115.58 116.46 2hg1 h ASN 91 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2hg1 h ASN 91 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2hg1 h ASN 91 CO 0.05 0.05 -1.54 -1.54 -1.65 0.00 0.00 177.43 172.80 2hg1 n SER 92 N -3.14 1.01 -0.51 5.81 3.41 -0.71 -4.54 113.62 114.96 2hg1 n SER 92 Ca 0.02 -0.22 0.06 0.00 -0.26 0.00 0.00 58.87 58.47 2hg1 n SER 92 Cb 0.42 1.59 0.15 0.00 -0.26 0.00 0.00 64.21 66.11 2hg1 n SER 92 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2hg1 n LEU 93 N -1.92 2.95 0.33 1.04 4.77 -0.73 -4.68 117.00 118.75 2hg1 n LEU 93 Ca -0.02 -2.45 0.22 0.00 -0.03 0.00 0.00 56.01 53.73 2hg1 n LEU 93 Cb 0.40 -0.31 1.18 0.00 -2.33 0.00 0.00 43.42 42.36 2hg1 n LEU 93 CO 0.35 0.67 1.18 0.10 -1.33 0.00 0.00 177.39 178.36 2hg1 h TYR 94 N 1.28 0.00 0.00 -1.77 -0.00 -1.78 -0.72 116.97 113.98 2hg1 h TYR 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2hg1 h TYR 94 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.66 2hg1 h TYR 94 CO 0.23 0.00 -1.08 1.63 -0.00 0.00 0.00 178.16 178.94 2hg1 n LYS 95 N -3.19 0.41 -2.38 0.10 4.76 -1.26 -4.28 118.16 112.32 2hg1 n LYS 95 Ca -0.03 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 2hg1 n LYS 95 Cb 0.08 -1.66 0.01 0.00 -1.84 0.00 0.00 35.03 31.62 2hg1 n LYS 95 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2hg1 n ASN 96 N -2.20 4.15 -0.06 4.39 2.85 -0.32 -4.92 115.26 119.16 2hg1 n ASN 96 Ca 0.01 -3.48 0.12 0.00 -0.11 0.00 0.00 54.58 51.13 2hg1 n ASN 96 Cb 0.48 -0.43 0.52 0.00 1.24 0.00 0.00 39.78 41.59 2hg1 n ASN 96 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2hg1 h LYS 97 N 2.50 0.34 0.00 1.20 1.57 -1.64 -2.66 116.57 117.88 2hg1 h LYS 97 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2hg1 h LYS 97 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2hg1 h LYS 97 CO 0.73 0.23 0.09 -0.85 -0.57 0.00 0.00 179.45 179.08 2hg1 n GLU 98 N -4.46 0.12 0.08 3.15 0.28 -1.26 -1.53 120.64 117.01 2hg1 n GLU 98 Ca 0.09 0.60 0.09 0.00 -0.16 0.00 0.00 57.16 57.79 2hg1 n GLU 98 Cb 0.38 -1.97 0.40 0.00 1.43 0.00 0.00 31.44 31.68 2hg1 n GLU 98 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2hg1 n ILE 99 N -2.14 1.01 -0.14 3.84 -6.64 -1.00 -2.22 119.36 112.07 2hg1 n ILE 99 Ca -0.01 0.32 0.03 0.00 -1.77 0.00 0.00 62.75 61.32 2hg1 n ILE 99 Cb 0.12 -1.21 0.33 0.00 -1.44 0.00 0.00 39.64 37.45 2hg1 n ILE 99 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 2hg1 h PHE 100 N 0.00 0.76 -0.32 4.28 -0.00 -1.54 -2.17 116.94 117.95 2hg1 h PHE 100 Ca 0.00 0.02 -0.11 0.00 -0.00 0.00 0.00 57.97 57.88 2hg1 h PHE 100 Cb 0.25 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 2hg1 h PHE 100 CO 0.00 0.46 -0.24 1.25 -0.00 0.00 0.00 178.31 179.78 2hg1 h LEU 101 N 0.80 0.76 -0.72 2.10 5.85 -1.70 -2.11 115.31 120.29 2hg1 h LEU 101 Ca 0.24 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2hg1 h LEU 101 Cb -0.01 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2hg1 h LEU 101 CO -0.06 1.04 0.47 -0.09 -0.34 0.00 0.00 178.44 179.46 2hg1 h ARG 102 N 0.48 0.92 -0.58 1.25 2.43 -1.58 -1.68 114.38 115.62 2hg1 h ARG 102 Ca 0.06 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2hg1 h ARG 102 Cb 0.80 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2hg1 h ARG 102 CO 0.06 0.61 0.20 0.93 -1.51 0.00 0.00 179.97 180.26 2hg1 h GLU 103 N 0.94 0.89 -0.28 0.20 4.39 -1.27 -0.27 114.58 119.18 2hg1 h GLU 103 Ca 0.27 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 2hg1 h GLU 103 Cb -0.07 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2hg1 h GLU 103 CO -0.08 0.79 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.23 2hg1 h LEU 104 N 0.81 0.55 -0.48 1.33 3.38 -1.13 -0.75 115.31 119.02 2hg1 h LEU 104 Ca 0.19 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2hg1 h LEU 104 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2hg1 h LEU 104 CO -0.01 0.81 -0.43 0.40 0.09 0.00 0.00 178.44 179.29 2hg1 h ILE 105 N 0.48 1.29 -0.20 1.22 2.04 -1.08 -0.74 117.51 120.52 2hg1 h ILE 105 Ca 0.07 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 2hg1 h ILE 105 Cb 0.71 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2hg1 h ILE 105 CO 0.05 0.52 0.09 0.28 0.00 0.00 0.00 178.15 179.10 2hg1 h SER 106 N 0.62 0.26 -0.46 1.72 0.02 -0.68 0.12 113.55 115.14 2hg1 h SER 106 Ca 0.04 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2hg1 h SER 106 Cb 0.99 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2hg1 h SER 106 CO 0.09 0.32 0.27 0.78 -1.14 0.00 0.00 176.83 177.16 2hg1 h ASN 107 N 0.18 0.58 -0.26 3.07 2.35 -1.06 0.68 115.58 121.11 2hg1 h ASN 107 Ca 0.07 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2hg1 h ASN 107 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2hg1 h ASN 107 CO -0.01 0.46 0.01 0.00 -1.65 0.00 0.00 177.43 176.24 2hg1 h ALA 108 N 1.64 0.35 -0.18 -0.83 0.00 -0.46 -1.98 119.26 117.80 2hg1 h ALA 108 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2hg1 h ALA 108 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2hg1 h ALA 108 CO -0.03 0.07 0.01 1.03 0.00 0.00 0.00 179.25 180.33 2hg1 h SER 109 N 0.25 -0.06 -0.77 0.00 0.87 0.16 -1.19 113.55 112.80 2hg1 h SER 109 Ca 0.08 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2hg1 h SER 109 Cb 0.39 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2hg1 h SER 109 CO 0.01 -0.00 0.51 0.44 -0.53 0.00 0.00 176.83 177.25 2hg1 h ASP 110 N 0.07 0.70 -0.22 6.23 3.45 -0.79 -0.59 116.42 125.26 2hg1 h ASP 110 Ca 0.09 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 2hg1 h ASP 110 Cb 0.10 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 2hg1 h ASP 110 CO -0.14 0.44 -0.24 0.00 -1.57 0.00 0.00 179.24 177.73 2hg1 h ALA 111 N 1.59 0.92 -0.10 3.45 0.00 -0.55 -1.72 119.26 122.85 2hg1 h ALA 111 Ca 0.34 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2hg1 h ALA 111 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hg1 h ALA 111 CO -0.12 0.62 -0.59 -0.07 0.00 0.00 0.00 179.25 179.08 2hg1 h LEU 112 N 0.60 0.38 -0.40 0.00 3.38 -0.20 -1.93 115.31 117.15 2hg1 h LEU 112 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2hg1 h LEU 112 Cb 0.73 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2hg1 h LEU 112 CO 0.06 0.89 0.20 0.44 0.09 0.00 0.00 178.44 180.12 2hg1 h ASP 113 N 0.25 0.52 -0.07 -0.43 3.32 -0.81 -1.51 116.42 117.69 2hg1 h ASP 113 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2hg1 h ASP 113 Cb 1.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2hg1 h ASP 113 CO 0.10 0.48 0.03 0.11 -1.72 0.00 0.00 179.24 178.24 2hg1 h LYS 114 N 0.51 0.07 -0.05 3.56 1.57 -1.15 0.10 116.57 121.18 2hg1 h LYS 114 Ca 0.14 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2hg1 h LYS 114 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2hg1 h LYS 114 CO -0.02 0.05 -0.25 0.97 -0.57 0.00 0.00 179.45 179.63 2hg1 h ILE 115 N 0.07 1.20 -0.52 1.86 6.09 -1.41 0.70 117.51 125.50 2hg1 h ILE 115 Ca 0.03 -0.96 -0.12 0.00 -1.37 0.00 0.00 64.86 62.44 2hg1 h ILE 115 Cb 0.01 1.44 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 2hg1 h ILE 115 CO -0.02 0.28 -0.13 -0.09 -3.07 0.00 0.00 178.15 175.12 2hg1 h ARG 116 N 0.08 1.01 -0.44 2.19 2.43 -0.67 -0.16 114.38 118.82 2hg1 h ARG 116 Ca 0.01 -0.39 -0.10 0.00 -0.81 0.00 0.00 59.98 58.69 2hg1 h ARG 116 Cb 0.49 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2hg1 h ARG 116 CO 0.03 1.07 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.36 2hg1 h LEU 117 N 0.88 0.82 -0.84 3.80 3.38 0.02 -2.82 115.31 120.55 2hg1 h LEU 117 Ca 0.13 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2hg1 h LEU 117 Cb 0.70 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2hg1 h LEU 117 CO 0.05 0.96 -0.58 0.40 0.09 0.00 0.00 178.44 179.37 2hg1 h ILE 118 N 0.73 1.42 0.00 1.22 2.04 -0.61 -2.85 117.51 119.47 2hg1 h ILE 118 Ca 0.12 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2hg1 h ILE 118 Cb 0.64 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2hg1 h ILE 118 CO 0.04 0.57 0.00 -1.54 0.00 0.00 0.00 178.15 177.22 2hg1 n SER 119 N -3.85 0.68 -0.15 1.72 3.41 -0.10 -1.10 113.62 114.23 2hg1 n SER 119 Ca -0.01 0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 59.15 2hg1 n SER 119 Cb 0.58 -0.80 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2hg1 n SER 119 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2hg1 h LEU 120 N 0.00 0.64 0.00 1.04 3.38 -1.43 -3.28 115.31 115.66 2hg1 h LEU 120 Ca 0.00 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 2hg1 h LEU 120 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2hg1 h LEU 120 CO 0.00 0.69 -1.80 0.35 0.09 0.00 0.00 178.44 177.77 2hg1 n THR 121 N -4.55 0.97 -3.91 0.22 -2.24 -1.07 -4.85 114.28 98.85 2hg1 n THR 121 Ca 0.00 -0.69 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 2hg1 n THR 121 Cb 0.19 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 2hg1 n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hg1 s ASP 122 N -5.42 4.74 0.11 3.42 -1.08 -0.26 -4.97 116.67 113.20 2hg1 s ASP 122 Ca -0.06 -1.10 0.16 0.00 -0.52 0.00 0.00 52.55 51.03 2hg1 s ASP 122 Cb 0.09 -1.71 0.70 0.00 -1.46 0.00 0.00 42.92 40.54 2hg1 s ASP 122 CO 0.84 -0.21 1.50 -1.84 0.52 0.00 0.00 175.17 175.97 2hg1 n GLU 123 N 4.66 0.07 -0.20 4.34 -0.00 -1.26 -2.32 120.64 125.94 2hg1 n GLU 123 Ca -0.14 0.36 0.07 0.00 -0.00 0.00 0.00 57.16 57.45 2hg1 n GLU 123 Cb 0.45 -1.65 0.18 0.00 -0.00 0.00 0.00 31.44 30.42 2hg1 n GLU 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2hg1 n ASN 124 N -1.79 3.08 -0.06 -1.84 5.03 -1.26 -4.62 115.26 113.80 2hg1 n ASN 124 Ca 0.02 -1.95 0.06 0.00 0.87 0.00 0.00 54.58 53.58 2hg1 n ASN 124 Cb 0.16 -0.26 0.42 0.00 -1.02 0.00 0.00 39.78 39.07 2hg1 n ASN 124 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2hg1 h ALA 125 N 2.70 1.76 -0.55 5.41 0.00 -1.80 -2.51 119.26 124.27 2hg1 h ALA 125 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hg1 h ALA 125 Cb 0.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2hg1 h ALA 125 CO 0.00 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.71 2hg1 n LEU 126 N -4.47 3.11 -0.35 0.00 4.77 -1.26 -4.58 117.00 114.22 2hg1 n LEU 126 Ca 0.06 -1.53 0.14 0.00 -0.03 0.00 0.00 56.01 54.66 2hg1 n LEU 126 Cb 0.15 -0.37 0.35 0.00 -2.33 0.00 0.00 43.42 41.22 2hg1 n LEU 126 CO 0.35 0.76 1.19 0.00 -1.33 0.00 0.00 177.39 178.36 2hg1 h ALA 127 N 4.12 1.73 0.00 -1.18 0.00 -1.77 -2.26 119.26 119.90 2hg1 h ALA 127 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hg1 h ALA 127 Cb 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2hg1 h ALA 127 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.54 2hg1 n GLY 128 N -1.34 -1.55 3.15 0.00 0.00 -1.26 -4.70 105.19 99.48 2hg1 n GLY 128 Ca 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2hg1 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hg1 s ASN 129 N -3.76 -0.51 0.32 1.61 3.84 -0.86 -4.01 114.94 111.58 2hg1 s ASN 129 Ca 0.12 0.18 0.02 0.00 0.21 0.00 0.00 52.86 53.39 2hg1 s ASN 129 Cb 0.15 1.37 0.54 0.00 -0.55 0.00 0.00 41.25 42.76 2hg1 s ASN 129 CO 0.54 -0.09 1.88 -0.33 -2.79 0.00 0.00 177.10 176.30 2hg1 h GLU 130 N 7.67 0.67 -7.24 0.43 4.39 -1.82 -3.46 114.58 115.23 2hg1 h GLU 130 Ca -0.11 -0.13 -0.50 0.00 0.34 0.00 0.00 59.36 58.97 2hg1 h GLU 130 Cb 1.17 -0.11 0.07 0.00 -0.10 0.00 0.00 28.75 29.79 2hg1 h GLU 130 CO -0.08 0.62 0.37 -1.83 -1.16 0.00 0.00 179.01 176.93 2hg1 s GLU 131 N -5.16 3.20 -0.52 2.33 -1.05 -1.26 -5.03 118.70 111.21 2hg1 s GLU 131 Ca -0.09 1.13 0.04 0.00 -0.15 0.00 0.00 54.97 55.89 2hg1 s GLU 131 Cb 0.16 -2.02 0.15 0.00 -0.44 0.00 0.00 34.13 31.98 2hg1 s GLU 131 CO 0.78 -0.90 0.33 -0.51 0.95 0.00 0.00 175.26 175.91 2hg1 s LEU 132 N -4.82 3.33 0.33 1.83 1.43 -1.26 -4.80 118.68 114.72 2hg1 s LEU 132 Ca 0.62 -3.11 0.03 0.00 -1.03 0.00 0.00 54.13 50.64 2hg1 s LEU 132 Cb -0.15 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2hg1 s LEU 132 CO 0.42 -0.19 0.14 0.42 0.23 0.00 0.00 176.35 177.37 2hg1 s THR 133 N -0.32 0.51 -0.07 5.49 -4.23 -1.26 -4.30 115.64 111.46 2hg1 s THR 133 Ca 0.22 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2hg1 s THR 133 Cb -0.14 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2hg1 s THR 133 CO -0.08 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.30 2hg1 s VAL 134 N -3.46 0.46 -0.12 2.29 1.01 -0.91 -2.39 120.40 117.28 2hg1 s VAL 134 Ca 0.33 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.38 2hg1 s VAL 134 Cb 0.05 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2hg1 s VAL 134 CO 0.16 0.27 -0.16 -0.54 0.00 0.00 0.00 175.10 174.83 2hg1 s LYS 135 N 1.83 2.32 -0.13 2.72 1.02 0.84 -0.37 119.74 127.96 2hg1 s LYS 135 Ca 0.03 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.40 2hg1 s LYS 135 Cb -0.12 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2hg1 s LYS 135 CO -0.05 -0.08 -0.04 0.42 -0.92 0.00 0.00 175.35 174.68 2hg1 s ILE 136 N 1.04 3.90 -0.01 2.17 1.01 0.82 -1.07 121.20 129.05 2hg1 s ILE 136 Ca -0.05 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2hg1 s ILE 136 Cb -0.15 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 2hg1 s ILE 136 CO -0.03 0.52 -0.08 -0.75 0.00 0.00 0.00 174.94 174.61 2hg1 s LYS 137 N 0.02 0.69 -0.12 2.79 2.20 -0.55 -1.22 119.74 123.56 2hg1 s LYS 137 Ca 0.00 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 2hg1 s LYS 137 Cb -0.13 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.48 2hg1 s LYS 137 CO 0.03 0.14 0.04 0.00 -0.36 0.00 0.00 175.35 175.19 2hg1 s ASP 139 N -0.58 3.12 0.15 0.00 -1.08 -0.58 -4.98 116.67 112.72 2hg1 s ASP 139 Ca 0.10 -3.32 -0.17 0.00 -0.52 0.00 0.00 52.55 48.65 2hg1 s ASP 139 Cb -0.12 -1.00 0.03 0.00 -1.46 0.00 0.00 42.92 40.37 2hg1 s ASP 139 CO 0.02 -0.15 1.76 0.50 0.52 0.00 0.00 175.17 177.82 2hg1 h LYS 140 N 5.71 0.27 -0.55 4.34 3.64 -1.84 0.69 116.57 128.83 2hg1 h LYS 140 Ca 0.18 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 2hg1 h LYS 140 Cb 0.85 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2hg1 h LYS 140 CO 0.52 0.18 0.43 1.49 -2.27 0.00 0.00 179.45 179.81 2hg1 h GLU 141 N 0.28 0.00 -0.02 1.90 4.81 -1.95 0.64 114.58 120.24 2hg1 h GLU 141 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2hg1 h GLU 141 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2hg1 h GLU 141 CO -0.13 0.00 -0.16 1.63 -0.73 0.00 0.00 179.01 179.62 2hg1 n LYS 142 N -4.17 1.71 -3.04 1.92 5.02 -0.58 -4.97 118.16 114.04 2hg1 n LYS 142 Ca 0.10 -1.41 -0.23 0.00 -2.02 0.00 0.00 58.31 54.75 2hg1 n LYS 142 Cb 0.65 -1.39 0.04 0.00 -0.02 0.00 0.00 35.03 34.31 2hg1 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hg1 n ASN 143 N 0.68 -6.16 -4.45 4.39 5.15 0.22 -4.96 115.26 110.13 2hg1 n ASN 143 Ca 0.11 -0.30 -0.27 0.00 -0.60 0.00 0.00 54.58 53.52 2hg1 n ASN 143 Cb 0.48 -4.97 -0.11 0.00 -0.53 0.00 0.00 39.78 34.64 2hg1 n ASN 143 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hg1 s LEU 144 N -6.72 2.54 -0.06 1.20 1.43 -0.75 -2.33 118.68 114.00 2hg1 s LEU 144 Ca 0.31 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2hg1 s LEU 144 Cb -0.14 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2hg1 s LEU 144 CO 0.39 0.12 -0.05 -0.22 0.23 0.00 0.00 176.35 176.82 2hg1 s LEU 145 N -2.65 1.19 -0.02 1.79 2.96 -0.72 -1.53 118.68 119.70 2hg1 s LEU 145 Ca 0.21 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 2hg1 s LEU 145 Cb -0.08 -0.54 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 2hg1 s LEU 145 CO 0.11 -0.08 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.89 2hg1 s HIS 146 N 1.21 2.64 -0.26 5.38 3.76 -0.28 -0.80 115.29 126.93 2hg1 s HIS 146 Ca -0.06 -0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 54.63 2hg1 s HIS 146 Cb -0.14 -1.58 0.08 0.00 1.11 0.00 0.00 32.58 32.06 2hg1 s HIS 146 CO -0.02 0.19 0.06 0.08 -0.85 0.00 0.00 174.74 174.20 2hg1 s VAL 147 N -0.78 0.86 -0.14 -0.90 1.01 -0.08 -1.48 120.40 118.90 2hg1 s VAL 147 Ca 0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2hg1 s VAL 147 Cb -0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2hg1 s VAL 147 CO 0.02 -0.46 -0.02 -0.89 0.00 0.00 0.00 175.10 173.75 2hg1 s THR 148 N 1.66 4.04 0.20 3.92 2.01 -0.24 -0.63 115.64 126.60 2hg1 s THR 148 Ca 0.04 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 61.81 2hg1 s THR 148 Cb -0.17 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 2hg1 s THR 148 CO -0.17 0.52 -0.16 1.51 -0.69 0.00 0.00 174.62 175.63 2hg1 s ASP 149 N 0.05 2.67 -0.35 3.53 1.47 0.15 -0.12 116.67 124.07 2hg1 s ASP 149 Ca 0.01 -0.98 0.07 0.00 1.18 0.00 0.00 52.55 52.82 2hg1 s ASP 149 Cb -0.13 -0.15 0.49 0.00 -0.34 0.00 0.00 42.92 42.78 2hg1 s ASP 149 CO 0.02 -0.12 1.48 0.35 0.68 0.00 0.00 175.17 177.58 2hg1 n THR 150 N -0.23 2.72 0.00 2.11 -2.24 -1.00 -1.59 114.28 114.04 2hg1 n THR 150 Ca -0.09 -3.19 0.00 0.00 -2.27 0.00 0.00 64.05 58.50 2hg1 n THR 150 Cb 0.60 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2hg1 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hg1 n GLY 151 N -0.99 -1.58 0.29 3.38 0.00 -1.26 -4.65 105.19 100.37 2hg1 n GLY 151 Ca 0.41 -1.43 0.15 0.00 0.00 0.00 0.00 46.02 45.15 2hg1 n GLY 151 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2hg1 h VAL 152 N -0.32 0.47 -1.05 1.61 3.04 -1.69 -3.26 116.25 115.06 2hg1 h VAL 152 Ca 0.00 -0.20 0.10 0.00 -1.01 0.00 0.00 66.70 65.59 2hg1 h VAL 152 Cb 0.00 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2hg1 h VAL 152 CO 0.00 0.04 -0.13 0.61 -1.01 0.00 0.00 177.57 177.08 2hg1 n GLY 153 N -1.04 -1.97 2.94 3.17 0.00 -1.26 -4.33 105.19 102.69 2hg1 n GLY 153 Ca -0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 2hg1 n GLY 153 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hg1 s MET 154 N -0.95 0.27 0.72 1.61 -1.94 -1.26 -4.81 119.30 112.95 2hg1 s MET 154 Ca 0.00 -0.19 -0.11 0.00 -1.71 0.00 0.00 55.69 53.68 2hg1 s MET 154 Cb 0.00 -0.22 0.03 0.00 2.01 0.00 0.00 34.83 36.65 2hg1 s MET 154 CO 0.00 0.06 1.10 0.95 -0.01 0.00 0.00 175.02 177.12 2hg1 s THR 155 N -0.26 3.06 0.24 2.05 -4.23 -1.26 -4.06 115.64 111.17 2hg1 s THR 155 Ca -0.01 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 2hg1 s THR 155 Cb -0.02 -3.33 0.20 0.00 1.34 0.00 0.00 72.50 70.69 2hg1 s THR 155 CO -0.00 -0.42 1.77 -0.09 -0.54 0.00 0.00 174.62 175.33 2hg1 h ARG 156 N -0.71 0.57 -0.79 3.99 2.43 -1.94 -0.37 114.38 117.55 2hg1 h ARG 156 Ca -0.45 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 2hg1 h ARG 156 Cb 1.28 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 2hg1 h ARG 156 CO 0.64 0.38 0.35 0.93 -1.51 0.00 0.00 179.97 180.76 2hg1 h GLU 157 N 0.59 1.16 0.00 0.20 5.08 -2.00 -2.20 114.58 117.41 2hg1 h GLU 157 Ca 0.39 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2hg1 h GLU 157 Cb 0.48 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2hg1 h GLU 157 CO -0.32 0.92 -0.27 0.93 -1.00 0.00 0.00 179.01 179.27 2hg1 h GLU 158 N 1.13 0.00 -0.16 2.33 5.08 -1.56 -0.91 114.58 120.50 2hg1 h GLU 158 Ca 0.27 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2hg1 h GLU 158 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2hg1 h GLU 158 CO -0.03 0.27 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.03 2hg1 h LEU 159 N 0.00 0.41 -0.15 1.33 3.38 -0.52 0.12 115.31 119.87 2hg1 h LEU 159 Ca -0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2hg1 h LEU 159 Cb 0.66 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2hg1 h LEU 159 CO 0.04 0.80 0.03 0.58 0.09 0.00 0.00 178.44 179.98 2hg1 h VAL 160 N 0.02 1.20 0.14 1.22 2.07 -1.24 -3.03 116.25 116.65 2hg1 h VAL 160 Ca 0.03 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2hg1 h VAL 160 Cb 0.68 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2hg1 h VAL 160 CO 0.04 0.19 -0.07 0.50 0.02 0.00 0.00 177.57 178.25 2hg1 h LYS 161 N 0.04 -0.19 -0.41 1.57 3.64 -1.20 -2.99 116.57 117.02 2hg1 h LYS 161 Ca 0.05 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2hg1 h LYS 161 Cb 0.27 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2hg1 h LYS 161 CO 0.00 0.20 0.11 -0.91 -2.27 0.00 0.00 179.45 176.58 2hg1 h ASN 162 N -0.94 0.56 0.00 4.20 4.21 -0.90 -2.46 115.58 120.24 2hg1 h ASN 162 Ca -0.02 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.41 2hg1 h ASN 162 Cb 0.47 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2hg1 h ASN 162 CO 0.03 0.56 -1.34 0.18 -1.29 0.00 0.00 177.43 175.57 2hg1 n LEU 163 N -4.33 0.66 -0.35 1.61 4.77 -1.14 -4.46 117.00 113.76 2hg1 n LEU 163 Ca 0.03 -0.33 0.07 0.00 -0.03 0.00 0.00 56.01 55.75 2hg1 n LEU 163 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2hg1 n LEU 163 CO 0.38 0.16 0.27 0.61 -1.33 0.00 0.00 177.39 177.49 2hg1 n GLY 164 N 1.42 -0.07 3.14 -0.72 0.00 -1.13 -5.02 105.19 102.81 2hg1 n GLY 164 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2hg1 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg1 s THR 165 N -1.63 0.19 0.28 2.61 -4.23 -0.93 -2.59 115.64 109.33 2hg1 s THR 165 Ca 0.12 -1.53 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 2hg1 s THR 165 Cb 0.11 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.48 2hg1 s THR 165 CO 0.33 -0.85 -0.05 -0.63 -0.54 0.00 0.00 174.62 172.88 2hg1 s ILE 166 N -3.84 3.09 -0.38 2.99 -1.09 -1.26 -4.71 121.20 116.00 2hg1 s ILE 166 Ca 0.06 -2.05 -0.03 0.00 -2.23 0.00 0.00 60.65 56.40 2hg1 s ILE 166 Cb 0.06 -2.70 0.20 0.00 -1.58 0.00 0.00 42.46 38.45 2hg1 s ILE 166 CO -0.10 -0.36 0.97 0.00 -1.23 0.00 0.00 174.94 174.22 2hg1 s ALA 167 N -2.40 -3.83 0.00 9.38 0.00 -1.26 -5.09 121.76 118.56 2hg1 s ALA 167 Ca 0.32 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2hg1 s ALA 167 Cb -0.05 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2hg1 s ALA 167 CO 0.19 -2.44 0.00 0.41 0.00 0.00 0.00 175.76 173.92 2hg1 n GLY 170 N 3.10 0.00 0.32 0.00 0.00 -1.26 -5.03 105.19 102.32 2hg1 n GLY 170 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2hg1 n GLY 170 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hg1 h THR 171 N 0.20 0.17 0.27 2.61 2.02 -1.99 -0.67 112.91 115.52 2hg1 h THR 171 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2hg1 h THR 171 Cb 0.00 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 2hg1 h THR 171 CO 0.00 0.00 -0.36 -1.28 0.37 0.00 0.00 175.52 174.25 2hg1 h SER 172 N -0.05 -1.01 -0.91 4.18 0.87 -2.00 -1.57 113.55 113.06 2hg1 h SER 172 Ca 0.33 0.10 0.09 0.00 -1.23 0.00 0.00 61.79 61.08 2hg1 h SER 172 Cb 0.57 0.36 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 2hg1 h SER 172 CO -0.79 -0.48 0.55 -0.08 -0.53 0.00 0.00 176.83 175.50 2hg1 h GLU 173 N -0.69 0.91 -0.06 2.24 4.22 -1.84 -2.59 114.58 116.78 2hg1 h GLU 173 Ca -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 2hg1 h GLU 173 Cb 0.65 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2hg1 h GLU 173 CO -0.12 0.60 0.03 0.35 -2.18 0.00 0.00 179.01 177.69 2hg1 h PHE 174 N 0.93 0.07 -0.75 0.92 3.57 -0.74 0.16 116.94 121.11 2hg1 h PHE 174 Ca 0.43 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.03 2hg1 h PHE 174 Cb 0.34 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2hg1 h PHE 174 CO -0.03 0.09 0.49 -0.07 -2.23 0.00 0.00 178.31 176.56 2hg1 h LEU 175 N 0.04 0.56 -0.06 0.59 4.07 -0.93 0.21 115.31 119.78 2hg1 h LEU 175 Ca 0.02 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 2hg1 h LEU 175 Cb 0.03 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 41.68 2hg1 h LEU 175 CO -0.00 0.33 -0.46 0.78 -1.08 0.00 0.00 178.44 178.00 2hg1 h ASN 176 N 0.62 0.52 -0.31 -0.43 2.35 -1.08 -2.66 115.58 114.58 2hg1 h ASN 176 Ca 0.35 -0.68 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 2hg1 h ASN 176 Cb 0.52 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2hg1 h ASN 176 CO -0.12 1.11 0.12 0.11 -1.65 0.00 0.00 177.43 177.00 2hg1 h LYS 177 N -0.04 0.54 0.05 0.81 6.56 0.29 0.73 116.57 125.51 2hg1 h LYS 177 Ca -0.04 -0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2hg1 h LYS 177 Cb 1.13 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 2hg1 h LYS 177 CO 0.09 0.47 -0.02 0.52 -2.06 0.00 0.00 179.45 178.45 2hg1 h MET 178 N 0.53 -0.06 -0.52 3.15 2.86 -0.65 -0.48 114.93 119.77 2hg1 h MET 178 Ca 0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2hg1 h MET 178 Cb 0.15 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2hg1 h MET 178 CO -0.01 0.32 0.27 1.15 1.06 0.00 0.00 176.91 179.70 2hg1 h THR 179 N -0.45 1.19 -0.62 2.22 2.02 -1.23 0.52 112.91 116.55 2hg1 h THR 179 Ca -0.01 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2hg1 h THR 179 Cb 0.41 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2hg1 h THR 179 CO 0.01 0.20 0.30 -0.33 0.37 0.00 0.00 175.52 176.07 2hg1 h GLU 180 N 0.69 0.87 0.00 6.66 5.08 -0.87 -0.93 114.58 126.08 2hg1 h GLU 180 Ca 0.18 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2hg1 h GLU 180 Cb 0.08 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2hg1 h GLU 180 CO -0.03 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 2hg1 h ALA 181 N 1.46 1.00 0.00 3.43 0.00 -0.32 -3.34 119.26 121.48 2hg1 h ALA 181 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2hg1 h ALA 181 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2hg1 h ALA 181 CO -0.03 0.00 -0.02 -0.56 0.00 0.00 0.00 179.25 178.64 2hg1 h GLN 182 N 0.00 0.00 -0.77 0.00 -0.00 0.45 1.45 115.11 116.25 2hg1 h GLN 182 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2hg1 h GLN 182 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.11 2hg1 h GLN 182 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.22 2hg1 n GLU 183 N -2.63 0.00 0.00 0.06 1.02 -0.90 -5.02 120.64 113.17 2hg1 n GLU 183 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hg1 n GLU 183 Cb 0.01 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2hg1 n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hg1 n GLN 186 N 0.59 0.00 -2.92 3.49 10.64 0.50 -4.92 117.38 124.76 2hg1 n GLN 186 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 2hg1 n GLN 186 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 2hg1 n GLN 186 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2hg1 s SER 187 N 0.00 7.44 0.00 2.61 0.15 -1.26 -4.94 113.70 117.71 2hg1 s SER 187 Ca 0.00 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.38 2hg1 s SER 187 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2hg1 s SER 187 CO 0.00 0.18 0.28 0.35 1.20 0.00 0.00 173.24 175.25 2hg1 n THR 188 N 1.48 0.00 -0.33 6.45 -2.24 -1.26 -4.73 114.28 113.64 2hg1 n THR 188 Ca -0.04 -0.45 0.04 0.00 -2.27 0.00 0.00 64.05 61.33 2hg1 n THR 188 Cb 0.48 1.06 0.21 0.00 -2.10 0.00 0.00 70.33 69.99 2hg1 n THR 188 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2hg1 h SER 189 N 0.00 0.96 -0.41 3.42 4.64 -1.93 -0.89 113.55 119.34 2hg1 h SER 189 Ca 0.00 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 2hg1 h SER 189 Cb 0.03 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2hg1 h SER 189 CO 0.00 0.61 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.14 2hg1 h GLU 190 N 1.09 0.79 -0.61 4.77 3.07 -2.01 -3.07 114.58 118.61 2hg1 h GLU 190 Ca 0.41 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2hg1 h GLU 190 Cb 0.21 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 2hg1 h GLU 190 CO -0.16 0.92 0.30 -0.07 -1.40 0.00 0.00 179.01 178.60 2hg1 h LEU 191 N 0.61 0.79 -0.59 1.33 3.38 -1.70 -2.31 115.31 116.83 2hg1 h LEU 191 Ca 0.10 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2hg1 h LEU 191 Cb 0.63 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2hg1 h LEU 191 CO 0.04 0.69 0.23 0.40 0.09 0.00 0.00 178.44 179.90 2hg1 h ILE 192 N 0.83 0.80 -0.40 1.22 1.08 -1.14 -1.14 117.51 118.76 2hg1 h ILE 192 Ca 0.21 -0.14 -0.14 0.00 -0.39 0.00 0.00 64.86 64.40 2hg1 h ILE 192 Cb 0.11 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2hg1 h ILE 192 CO -0.03 0.08 -0.29 1.23 -0.69 0.00 0.00 178.15 178.45 2hg1 h GLY 193 N 0.42 0.99 1.74 5.37 0.00 -1.42 -2.71 103.07 107.47 2hg1 h GLY 193 Ca 0.29 -0.95 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 2hg1 h GLY 193 CO -0.28 0.86 -0.15 1.46 0.00 0.00 0.00 176.54 178.43 2hg1 h GLN 194 N 0.73 0.31 -0.07 4.80 4.20 -0.92 -2.60 115.11 121.57 2hg1 h GLN 194 Ca 0.08 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2hg1 h GLN 194 Cb 0.87 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2hg1 h GLN 194 CO 0.08 0.47 0.00 0.34 -0.67 0.00 0.00 178.83 179.05 2hg1 n PHE 195 N -4.23 0.07 -2.85 2.96 7.35 -0.48 -4.97 117.46 115.33 2hg1 n PHE 195 Ca -0.00 -0.04 -0.20 0.00 -0.76 0.00 0.00 57.45 56.45 2hg1 n PHE 195 Cb 0.30 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.16 2hg1 n PHE 195 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hg1 n GLY 196 N 1.21 -0.42 0.50 7.13 0.00 -0.98 -4.89 105.19 107.74 2hg1 n GLY 196 Ca 0.18 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2hg1 n GLY 196 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hg1 n VAL 197 N -4.35 2.10 0.25 1.61 0.24 -1.08 -4.72 118.33 112.37 2hg1 n VAL 197 Ca -0.13 -2.09 0.17 0.00 -2.04 0.00 0.00 64.34 60.24 2hg1 n VAL 197 Cb 0.62 -0.25 0.88 0.00 -1.47 0.00 0.00 33.84 33.63 2hg1 n VAL 197 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2hg1 h GLY 198 N 0.91 0.00 0.88 7.63 0.00 -1.90 -2.93 103.07 107.66 2hg1 h GLY 198 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2hg1 h GLY 198 CO 0.12 0.00 0.50 -2.75 0.00 0.00 0.00 176.54 174.40 2hg1 h PHE 199 N 0.00 0.94 0.00 5.60 3.57 -1.87 -2.45 116.94 122.72 2hg1 h PHE 199 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2hg1 h PHE 199 Cb 0.01 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2hg1 h PHE 199 CO 0.00 0.54 0.00 0.66 -2.23 0.00 0.00 178.31 177.28 2hg1 n TYR 200 N -4.60 0.74 0.43 0.41 4.01 -1.11 -1.91 117.16 115.13 2hg1 n TYR 200 Ca 0.09 0.33 0.07 0.00 -0.16 0.00 0.00 57.90 58.23 2hg1 n TYR 200 Cb 0.08 -1.03 0.29 0.00 -0.31 0.00 0.00 39.34 38.37 2hg1 n TYR 200 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2hg1 n SER 201 N -2.21 0.05 0.23 7.72 3.41 -0.92 -1.91 113.62 119.99 2hg1 n SER 201 Ca 0.00 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 2hg1 n SER 201 Cb 0.13 -0.53 0.55 0.00 -0.26 0.00 0.00 64.21 64.11 2hg1 n SER 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hg1 h ALA 202 N 2.41 1.49 0.00 7.33 0.00 -1.57 -1.07 119.26 127.86 2hg1 h ALA 202 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2hg1 h ALA 202 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hg1 h ALA 202 CO 0.00 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.68 2hg1 n PHE 203 N -4.04 0.00 -0.03 0.00 3.72 -0.80 -1.50 117.46 114.81 2hg1 n PHE 203 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 2hg1 n PHE 203 Cb 0.27 -0.45 0.17 0.00 -0.94 0.00 0.00 39.48 38.54 2hg1 n PHE 203 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2hg1 h LEU 204 N 0.00 0.60 -1.58 4.37 3.38 -1.38 -3.27 115.31 117.43 2hg1 h LEU 204 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2hg1 h LEU 204 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2hg1 h LEU 204 CO 0.00 0.80 0.00 1.33 0.09 0.00 0.00 178.44 180.66 2hg1 n VAL 205 N -4.14 0.24 -4.47 1.22 0.24 -0.73 -4.99 118.33 105.70 2hg1 n VAL 205 Ca 0.00 -0.62 -0.20 0.00 -2.04 0.00 0.00 64.34 61.48 2hg1 n VAL 205 Cb 0.39 0.94 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 2hg1 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hg1 s ALA 206 N -0.48 1.04 0.05 2.33 0.00 -0.56 -0.88 121.76 123.27 2hg1 s ALA 206 Ca 0.05 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2hg1 s ALA 206 Cb 0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 23.12 22.68 2hg1 s ALA 206 CO 0.05 0.23 1.02 -0.44 0.00 0.00 0.00 175.76 176.62 2hg1 h ASP 207 N 5.53 0.18 -3.74 0.00 3.45 -1.02 -3.41 116.42 117.40 2hg1 h ASP 207 Ca -0.34 -0.23 -0.29 0.00 0.43 0.00 0.00 57.03 56.60 2hg1 h ASP 207 Cb 1.17 -0.06 -0.29 0.00 -0.56 0.00 0.00 39.33 39.59 2hg1 h ASP 207 CO 0.47 1.19 -0.74 -0.75 -1.57 0.00 0.00 179.24 177.85 2hg1 s LYS 208 N -2.65 0.19 -0.12 3.56 2.47 -1.15 -4.39 119.74 117.65 2hg1 s LYS 208 Ca -0.04 -0.04 0.02 0.00 -1.56 0.00 0.00 55.97 54.36 2hg1 s LYS 208 Cb 0.08 -0.23 -0.00 0.00 -1.46 0.00 0.00 37.83 36.22 2hg1 s LYS 208 CO 0.84 0.01 -0.21 0.08 0.16 0.00 0.00 175.35 176.23 2hg1 s VAL 209 N 0.19 2.31 -0.05 4.02 1.01 -0.09 -0.84 120.40 126.95 2hg1 s VAL 209 Ca -0.02 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2hg1 s VAL 209 Cb -0.04 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2hg1 s VAL 209 CO -0.01 0.55 -0.25 -0.63 0.00 0.00 0.00 175.10 174.76 2hg1 s ILE 210 N 0.51 2.02 -0.28 2.22 1.01 0.23 -1.76 121.20 125.14 2hg1 s ILE 210 Ca -0.13 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.47 2hg1 s ILE 210 Cb -0.17 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.68 2hg1 s ILE 210 CO 0.05 0.56 -0.01 -0.69 0.00 0.00 0.00 174.94 174.86 2hg1 s VAL 211 N -0.27 1.70 -0.24 2.92 1.01 0.12 0.77 120.40 126.41 2hg1 s VAL 211 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 2hg1 s VAL 211 Cb -0.13 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2hg1 s VAL 211 CO 0.02 -0.33 0.14 -0.89 0.00 0.00 0.00 175.10 174.05 2hg1 s THR 212 N 1.26 5.15 0.01 3.92 2.01 -0.50 -0.96 115.64 126.54 2hg1 s THR 212 Ca 0.01 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2hg1 s THR 212 Cb -0.19 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2hg1 s THR 212 CO -0.10 0.34 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.61 2hg1 s SER 213 N 1.17 0.16 -0.18 3.53 0.15 -0.60 -0.32 113.70 117.61 2hg1 s SER 213 Ca 0.07 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 2hg1 s SER 213 Cb -0.14 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2hg1 s SER 213 CO 0.05 -0.13 -0.07 -0.75 1.20 0.00 0.00 173.24 173.54 2hg1 s LYS 214 N -0.67 1.63 0.04 5.44 2.47 0.76 -1.75 119.74 127.65 2hg1 s LYS 214 Ca -0.07 -0.62 0.03 0.00 -1.56 0.00 0.00 55.97 53.75 2hg1 s LYS 214 Cb -0.05 -2.14 -0.04 0.00 -1.46 0.00 0.00 37.83 34.15 2hg1 s LYS 214 CO -0.00 -0.43 0.01 -1.58 0.16 0.00 0.00 175.35 173.50 2hg1 s HIS 215 N 1.56 3.05 0.58 4.03 5.65 -1.26 -0.89 115.29 128.01 2hg1 s HIS 215 Ca 0.00 0.03 0.28 0.00 0.25 0.00 0.00 55.06 55.63 2hg1 s HIS 215 Cb -0.16 -1.61 1.51 0.00 -1.18 0.00 0.00 32.58 31.14 2hg1 s HIS 215 CO -0.08 0.47 1.96 -0.91 -0.65 0.00 0.00 174.74 175.54 2hg1 h ASN 216 N 3.89 0.00 -0.72 9.88 2.35 -1.91 -1.89 115.58 127.17 2hg1 h ASN 216 Ca -0.48 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.03 2hg1 h ASN 216 Cb 1.17 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.40 2hg1 h ASN 216 CO 0.59 0.00 0.28 0.59 -1.65 0.00 0.00 177.43 177.24 2hg1 n ASN 217 N -3.87 4.51 -3.41 5.81 3.02 -1.26 -4.98 115.26 115.09 2hg1 n ASN 217 Ca 0.07 -3.30 -0.05 0.00 -0.03 0.00 0.00 54.58 51.27 2hg1 n ASN 217 Cb 0.59 -0.74 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 2hg1 n ASN 217 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hg1 s ASP 218 N -1.23 -0.07 0.46 6.41 -1.08 -0.71 -5.04 116.67 115.40 2hg1 s ASP 218 Ca 0.54 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 2hg1 s ASP 218 Cb 0.44 0.62 -0.00 0.00 -1.46 0.00 0.00 42.92 42.52 2hg1 s ASP 218 CO 0.12 -1.20 0.68 0.42 0.52 0.00 0.00 175.17 175.70 2hg1 s THR 219 N -2.71 3.92 0.25 1.71 -4.23 -1.26 -4.34 115.64 108.98 2hg1 s THR 219 Ca 0.16 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 2hg1 s THR 219 Cb -0.03 -3.45 -0.10 0.00 1.34 0.00 0.00 72.50 70.25 2hg1 s THR 219 CO 0.06 -0.32 1.50 -1.58 -0.54 0.00 0.00 174.62 173.74 2hg1 s GLN 220 N -4.57 4.22 0.18 3.99 0.74 -1.26 -4.68 119.66 118.28 2hg1 s GLN 220 Ca 0.49 2.39 0.04 0.00 0.05 0.00 0.00 55.36 58.33 2hg1 s GLN 220 Cb -0.10 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 2hg1 s GLN 220 CO 0.38 -0.50 -0.07 -1.01 -0.55 0.00 0.00 175.29 173.54 2hg1 s HIS 221 N 0.13 1.37 -0.07 1.67 3.76 -0.72 -1.46 115.29 119.97 2hg1 s HIS 221 Ca 0.62 -0.82 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 2hg1 s HIS 221 Cb -0.44 -0.74 0.01 0.00 1.11 0.00 0.00 32.58 32.53 2hg1 s HIS 221 CO 0.43 0.04 -0.15 0.42 -0.85 0.00 0.00 174.74 174.63 2hg1 s ILE 222 N -3.36 1.35 -0.12 0.60 1.01 0.68 -1.56 121.20 119.80 2hg1 s ILE 222 Ca 0.21 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2hg1 s ILE 222 Cb 0.04 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2hg1 s ILE 222 CO 0.04 0.40 -0.09 0.86 0.00 0.00 0.00 174.94 176.14 2hg1 s TRP 223 N 0.58 2.89 0.03 3.97 -0.00 -0.13 -1.20 118.94 125.07 2hg1 s TRP 223 Ca -0.15 -0.37 0.02 0.00 -0.00 0.00 0.00 56.10 55.59 2hg1 s TRP 223 Cb -0.16 -1.83 -0.02 0.00 -0.00 0.00 0.00 33.47 31.46 2hg1 s TRP 223 CO 0.05 -0.02 -0.06 -1.83 -0.00 0.00 0.00 176.95 175.08 2hg1 s GLU 224 N 0.04 0.46 -0.25 5.86 -1.05 -0.76 0.13 118.70 123.14 2hg1 s GLU 224 Ca -0.03 -0.56 -0.26 0.00 -0.15 0.00 0.00 54.97 53.97 2hg1 s GLU 224 Cb -0.14 -0.27 0.09 0.00 -0.44 0.00 0.00 34.13 33.37 2hg1 s GLU 224 CO 0.04 0.06 0.85 0.45 0.95 0.00 0.00 175.26 177.60 2hg1 s SER 225 N -1.12 -0.61 0.00 0.83 0.15 -0.72 -1.79 113.70 110.44 2hg1 s SER 225 Ca -0.07 1.12 0.14 0.00 0.70 0.00 0.00 55.95 57.84 2hg1 s SER 225 Cb -0.07 1.11 0.41 0.00 -1.71 0.00 0.00 66.02 65.75 2hg1 s SER 225 CO 0.00 -0.25 1.34 -0.90 1.20 0.00 0.00 173.24 174.63 2hg1 n ASP 226 N 2.25 3.23 0.00 5.45 3.85 -1.25 -0.92 116.55 129.17 2hg1 n ASP 226 Ca -0.14 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 51.95 2hg1 n ASP 226 Cb 0.56 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 2hg1 n ASP 226 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2hg1 n SER 227 N 0.88 0.00 -0.27 -1.12 3.41 -1.26 -4.86 113.62 110.40 2hg1 n SER 227 Ca 0.16 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 2hg1 n SER 227 Cb 0.49 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.59 2hg1 n SER 227 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2hg1 n ASN 228 N 0.00 1.31 0.00 4.04 5.03 -1.26 -4.98 115.26 119.40 2hg1 n ASN 228 Ca 0.00 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.40 2hg1 n ASN 228 Cb 0.00 0.39 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 2hg1 n ASN 228 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2hg1 n GLU 229 N -0.65 -2.95 -3.55 3.52 0.28 -1.26 -4.84 120.64 111.19 2hg1 n GLU 229 Ca 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.96 2hg1 n GLU 229 Cb 0.39 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.21 2hg1 n GLU 229 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2hg1 s PHE 230 N -2.08 -0.44 0.03 -1.84 -0.12 -1.05 -3.83 117.98 108.64 2hg1 s PHE 230 Ca 0.00 0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 57.32 2hg1 s PHE 230 Cb 0.00 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2hg1 s PHE 230 CO 0.00 -0.68 -0.03 -1.54 -0.05 0.00 0.00 175.22 172.92 2hg1 s SER 231 N -2.13 0.34 -0.08 1.98 1.04 -0.74 -0.67 113.70 113.43 2hg1 s SER 231 Ca -0.04 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2hg1 s SER 231 Cb -0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2hg1 s SER 231 CO -0.04 -0.40 -0.13 -0.69 0.98 0.00 0.00 173.24 172.96 2hg1 s VAL 232 N -2.31 1.26 0.08 5.02 1.01 -0.62 -1.82 120.40 123.02 2hg1 s VAL 232 Ca -0.08 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2hg1 s VAL 232 Cb -0.04 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2hg1 s VAL 232 CO -0.04 0.39 -0.06 0.27 0.00 0.00 0.00 175.10 175.66 2hg1 s ILE 233 N 0.75 0.56 0.27 2.22 -4.36 -0.34 -4.69 121.20 115.61 2hg1 s ILE 233 Ca -0.13 -1.82 -0.29 0.00 -0.26 0.00 0.00 60.65 58.15 2hg1 s ILE 233 Cb -0.16 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.93 2hg1 s ILE 233 CO 0.03 -0.86 1.13 0.00 0.24 0.00 0.00 174.94 175.47 2hg1 s ALA 234 N -3.48 3.42 -0.27 2.27 0.00 -1.26 -0.23 121.76 122.21 2hg1 s ALA 234 Ca 0.08 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 2hg1 s ALA 234 Cb 0.04 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2hg1 s ALA 234 CO -0.06 -0.22 1.42 0.34 0.00 0.00 0.00 175.76 177.24 2hg1 s ASP 235 N -0.72 6.56 0.00 0.00 -1.08 -0.54 -4.78 116.67 116.11 2hg1 s ASP 235 Ca 0.46 1.36 0.09 0.00 -0.52 0.00 0.00 52.55 53.93 2hg1 s ASP 235 Cb -0.33 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 38.99 2hg1 s ASP 235 CO 0.42 -1.15 1.29 -0.81 0.52 0.00 0.00 175.17 175.44 2hg1 n PRO 236 N 7.45 0.00 0.00 4.34 -0.04 -1.26 -1.10 135.00 144.39 2hg1 n PRO 236 Ca 0.16 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 2hg1 n PRO 236 Cb 0.46 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.01 2hg1 n PRO 236 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hg1 n ARG 237 N -1.50 0.83 0.00 0.54 1.74 -1.26 -5.03 116.66 111.98 2hg1 n ARG 237 Ca 0.02 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2hg1 n ARG 237 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2hg1 n ARG 237 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hg1 n GLY 238 N 1.26 -0.40 3.45 -0.13 0.00 -0.26 -4.52 105.19 104.59 2hg1 n GLY 238 Ca 0.15 -1.08 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 2hg1 n GLY 238 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hg1 s ASN 239 N -4.00 6.41 -0.01 1.61 2.47 -1.26 -4.62 114.94 115.54 2hg1 s ASN 239 Ca 0.00 -1.57 0.15 0.00 0.42 0.00 0.00 52.86 51.86 2hg1 s ASN 239 Cb 0.00 -2.40 -0.19 0.00 -1.45 0.00 0.00 41.25 37.21 2hg1 s ASN 239 CO 0.00 -1.23 0.54 0.35 -3.72 0.00 0.00 177.10 173.04 2hg1 n THR 240 N 5.70 0.00 0.04 -5.21 -2.24 -1.26 -4.50 114.28 106.81 2hg1 n THR 240 Ca 0.11 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 2hg1 n THR 240 Cb 0.47 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 69.30 2hg1 n THR 240 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hg1 h LEU 241 N 0.00 0.28 0.00 3.22 3.38 -1.96 -3.48 115.31 116.76 2hg1 h LEU 241 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2hg1 h LEU 241 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2hg1 h LEU 241 CO 0.00 1.35 0.00 0.61 0.09 0.00 0.00 178.44 180.49 2hg1 n GLY 242 N 1.64 2.15 3.64 0.83 0.00 -1.26 -4.70 105.19 107.49 2hg1 n GLY 242 Ca -0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 2hg1 n GLY 242 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hg1 s ARG 243 N 0.00 0.37 0.00 1.61 3.52 -1.26 -4.58 118.95 118.61 2hg1 s ARG 243 Ca 0.00 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.17 2hg1 s ARG 243 Cb 0.00 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2hg1 s ARG 243 CO 0.00 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 2hg1 n GLY 244 N 3.08 0.70 2.88 8.12 0.00 -0.06 -4.46 105.19 115.45 2hg1 n GLY 244 Ca -0.16 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2hg1 n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hg1 s THR 245 N -1.28 0.03 -0.12 2.61 2.01 -0.62 -0.17 115.64 118.09 2hg1 s THR 245 Ca 0.00 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2hg1 s THR 245 Cb 0.00 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.47 2hg1 s THR 245 CO 0.00 -0.01 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.82 2hg1 s THR 246 N -0.06 2.27 -0.28 -0.82 2.01 0.56 -0.68 115.64 118.64 2hg1 s THR 246 Ca -0.00 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 2hg1 s THR 246 Cb -0.01 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 2hg1 s THR 246 CO -0.00 0.55 0.14 -0.63 -0.69 0.00 0.00 174.62 173.98 2hg1 s ILE 247 N 0.55 4.70 -0.14 1.82 -1.09 0.19 -1.41 121.20 125.82 2hg1 s ILE 247 Ca -0.13 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 2hg1 s ILE 247 Cb -0.17 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2hg1 s ILE 247 CO 0.04 0.20 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.98 2hg1 s THR 248 N 1.65 3.43 -0.16 2.92 2.01 0.23 -0.90 115.64 124.82 2hg1 s THR 248 Ca 0.06 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 2hg1 s THR 248 Cb -0.16 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 2hg1 s THR 248 CO 0.07 0.51 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.61 2hg1 s LEU 249 N 0.38 2.54 -0.63 4.42 1.43 0.02 0.74 118.68 127.57 2hg1 s LEU 249 Ca -0.08 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 2hg1 s LEU 249 Cb -0.15 -1.59 0.11 0.00 0.03 0.00 0.00 46.19 44.59 2hg1 s LEU 249 CO 0.04 0.07 0.77 -0.69 0.23 0.00 0.00 176.35 176.77 2hg1 s VAL 250 N 0.90 4.78 0.36 -1.59 1.01 -0.02 -1.76 120.40 124.08 2hg1 s VAL 250 Ca -0.03 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 2hg1 s VAL 250 Cb -0.15 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.59 2hg1 s VAL 250 CO -0.01 -1.19 1.44 -0.76 0.00 0.00 0.00 175.10 174.57 2hg1 s LEU 251 N 2.78 4.35 1.01 3.92 1.43 -0.98 -0.46 118.68 130.73 2hg1 s LEU 251 Ca 0.14 2.94 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 2hg1 s LEU 251 Cb -0.21 -3.66 0.20 0.00 0.03 0.00 0.00 46.19 42.54 2hg1 s LEU 251 CO 0.05 -0.78 1.08 -0.54 0.23 0.00 0.00 176.35 176.39 2hg1 s LYS 252 N -1.92 0.31 0.26 1.70 1.02 -0.06 -4.63 119.74 116.43 2hg1 s LYS 252 Ca 0.52 0.93 0.09 0.00 0.02 0.00 0.00 55.97 57.53 2hg1 s LYS 252 Cb -0.45 -1.69 0.33 0.00 -0.52 0.00 0.00 37.83 35.51 2hg1 s LYS 252 CO 0.59 -2.92 1.60 1.05 -0.92 0.00 0.00 175.35 174.76 2hg1 h GLU 253 N -2.05 0.08 0.00 1.68 4.11 -1.95 -2.63 114.58 113.82 2hg1 h GLU 253 Ca -0.53 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2hg1 h GLU 253 Cb 1.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2hg1 h GLU 253 CO 0.51 0.66 0.00 -0.85 0.07 0.00 0.00 179.01 179.40 2hg1 n GLU 254 N -3.84 0.72 -0.18 1.06 0.28 -1.26 -3.32 120.64 114.11 2hg1 n GLU 254 Ca -0.02 0.01 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2hg1 n GLU 254 Cb 0.61 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 32.12 2hg1 n GLU 254 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hg1 n ALA 255 N -1.05 2.37 0.31 -1.84 0.00 -0.99 -4.69 120.51 114.62 2hg1 n ALA 255 Ca 0.18 -1.80 0.18 0.00 0.00 0.00 0.00 53.44 52.00 2hg1 n ALA 255 Cb 0.11 -0.39 0.95 0.00 0.00 0.00 0.00 19.45 20.12 2hg1 n ALA 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hg1 h SER 256 N 0.94 0.00 -0.55 0.00 4.64 -1.64 -2.07 113.55 114.87 2hg1 h SER 256 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2hg1 h SER 256 Cb 0.93 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2hg1 h SER 256 CO 0.06 0.00 0.37 0.44 -0.87 0.00 0.00 176.83 176.83 2hg1 h ASP 257 N 0.00 0.27 0.00 4.97 3.32 -1.89 -1.59 116.42 121.50 2hg1 h ASP 257 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2hg1 h ASP 257 Cb 0.45 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2hg1 h ASP 257 CO -0.00 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 2hg1 n TYR 258 N -4.46 0.00 0.98 4.55 4.02 -0.78 -2.31 117.16 119.16 2hg1 n TYR 258 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.09 2hg1 n TYR 258 Cb 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.68 2hg1 n TYR 258 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2hg1 n LEU 259 N -0.70 1.65 -4.66 7.72 4.77 -0.60 -4.78 117.00 120.41 2hg1 n LEU 259 Ca 0.07 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.98 2hg1 n LEU 259 Cb 0.03 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2hg1 n LEU 259 CO 0.05 0.33 0.46 -1.61 -1.33 0.00 0.00 177.39 175.29 2hg1 s GLU 260 N -2.63 4.23 0.18 3.23 0.41 -0.98 -4.71 118.70 118.43 2hg1 s GLU 260 Ca 0.14 0.74 -0.20 0.00 -0.41 0.00 0.00 54.97 55.24 2hg1 s GLU 260 Cb 0.17 -3.59 0.11 0.00 -1.78 0.00 0.00 34.13 29.04 2hg1 s GLU 260 CO 0.67 -0.30 1.61 -0.07 -0.49 0.00 0.00 175.26 176.68 2hg1 h LEU 261 N 8.35 -0.95 -1.06 1.80 3.38 -1.90 -1.37 115.31 123.56 2hg1 h LEU 261 Ca -0.30 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.03 2hg1 h LEU 261 Cb 1.13 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 42.27 2hg1 h LEU 261 CO 0.80 -0.29 0.62 -2.24 0.09 0.00 0.00 178.44 177.42 2hg1 h ASP 262 N -0.18 0.81 -0.04 -0.43 2.03 -1.96 0.14 116.42 116.79 2hg1 h ASP 262 Ca 0.21 0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.53 2hg1 h ASP 262 Cb 0.51 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 2hg1 h ASP 262 CO -0.57 0.35 -0.16 0.74 -1.03 0.00 0.00 179.24 178.57 2hg1 h THR 263 N 0.83 1.47 -0.43 1.15 2.02 -1.65 -2.73 112.91 113.56 2hg1 h THR 263 Ca 0.54 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2hg1 h THR 263 Cb 0.75 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 2hg1 h THR 263 CO -0.32 0.45 0.20 0.40 0.37 0.00 0.00 175.52 176.62 2hg1 h ILE 264 N -0.38 1.18 -0.58 3.11 1.08 -0.84 -0.60 117.51 120.48 2hg1 h ILE 264 Ca -0.01 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.99 2hg1 h ILE 264 Cb 0.81 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 2hg1 h ILE 264 CO 0.03 0.20 0.33 0.11 -0.69 0.00 0.00 178.15 178.13 2hg1 h LYS 265 N 0.55 0.62 -0.58 2.37 1.57 -0.82 0.22 116.57 120.49 2hg1 h LYS 265 Ca 0.15 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2hg1 h LYS 265 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2hg1 h LYS 265 CO -0.02 0.41 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.31 2hg1 h ASN 266 N 0.63 1.06 -0.33 0.86 4.21 -1.24 -0.64 115.58 120.13 2hg1 h ASN 266 Ca 0.25 -0.33 -0.12 0.00 1.21 0.00 0.00 56.30 57.31 2hg1 h ASN 266 Cb 0.10 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 2hg1 h ASN 266 CO -0.14 1.13 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.79 2hg1 h LEU 267 N 0.96 0.80 -0.58 1.61 3.38 -0.60 -2.46 115.31 118.42 2hg1 h LEU 267 Ca 0.16 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 2hg1 h LEU 267 Cb 0.62 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2hg1 h LEU 267 CO 0.04 1.08 -0.16 0.58 0.09 0.00 0.00 178.44 180.08 2hg1 h VAL 268 N 0.53 1.27 -0.29 1.22 2.07 -0.52 -1.03 116.25 119.50 2hg1 h VAL 268 Ca 0.06 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.31 2hg1 h VAL 268 Cb 0.84 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2hg1 h VAL 268 CO 0.07 0.45 0.09 0.50 0.02 0.00 0.00 177.57 178.70 2hg1 h LYS 269 N 0.86 0.20 -0.57 1.57 3.64 -1.08 0.13 116.57 121.31 2hg1 h LYS 269 Ca 0.12 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2hg1 h LYS 269 Cb 0.72 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2hg1 h LYS 269 CO 0.05 0.13 0.03 -0.22 -2.27 0.00 0.00 179.45 177.17 2hg1 h LYS 270 N 0.21 0.99 -0.00 1.90 3.64 -1.24 -3.11 116.57 118.95 2hg1 h LYS 270 Ca 0.13 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2hg1 h LYS 270 Cb 0.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2hg1 h LYS 270 CO -0.14 0.98 -0.18 0.66 -2.27 0.00 0.00 179.45 178.49 2hg1 n TYR 271 N -4.26 0.00 0.77 1.91 0.53 -0.41 -3.85 117.16 111.85 2hg1 n TYR 271 Ca 0.02 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.99 2hg1 n TYR 271 Cb 0.32 -0.19 0.06 0.00 -1.03 0.00 0.00 39.34 38.49 2hg1 n TYR 271 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2hg1 n SER 272 N -0.96 2.33 -0.31 7.72 7.64 0.44 -4.67 113.62 125.80 2hg1 n SER 272 Ca 0.12 -1.66 0.06 0.00 1.01 0.00 0.00 58.87 58.41 2hg1 n SER 272 Cb 0.31 0.12 0.22 0.00 -1.01 0.00 0.00 64.21 63.84 2hg1 n SER 272 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2hg1 h GLN 273 N 3.19 0.72 -0.61 1.43 4.15 -1.65 -2.61 115.11 119.73 2hg1 h GLN 273 Ca 0.00 -0.04 -0.33 0.00 0.77 0.00 0.00 58.65 59.05 2hg1 h GLN 273 Cb 0.72 -0.16 -0.19 0.00 0.21 0.00 0.00 27.48 28.06 2hg1 h GLN 273 CO 0.00 0.48 0.19 1.19 -1.93 0.00 0.00 178.83 178.75 2hg1 n PHE 274 N -4.79 1.89 -3.85 3.99 3.72 -1.26 -4.92 117.46 112.25 2hg1 n PHE 274 Ca 0.17 -1.76 -0.36 0.00 -0.05 0.00 0.00 57.45 55.45 2hg1 n PHE 274 Cb 0.39 -0.68 -0.11 0.00 -0.94 0.00 0.00 39.48 38.13 2hg1 n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2hg1 s ILE 275 N -3.36 4.68 -1.12 4.37 -1.09 -0.99 -5.00 121.20 118.70 2hg1 s ILE 275 Ca 0.50 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 2hg1 s ILE 275 Cb 0.44 -3.16 0.04 0.00 -1.58 0.00 0.00 42.46 38.20 2hg1 s ILE 275 CO 0.04 0.38 0.63 0.59 -1.23 0.00 0.00 174.94 175.35 2hg1 n ASN 276 N 4.31 1.07 -4.21 3.58 3.02 -1.26 -4.76 115.26 117.02 2hg1 n ASN 276 Ca -0.16 -2.04 -0.23 0.00 -0.03 0.00 0.00 54.58 52.12 2hg1 n ASN 276 Cb 0.52 -0.43 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 2hg1 n ASN 276 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hg1 s PHE 277 N -1.22 1.57 0.24 3.10 0.08 -1.26 -5.11 117.98 115.39 2hg1 s PHE 277 Ca 0.03 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 2hg1 s PHE 277 Cb 0.02 -0.94 -0.10 0.00 -0.57 0.00 0.00 43.02 41.43 2hg1 s PHE 277 CO 0.01 0.07 1.37 -1.25 -0.10 0.00 0.00 175.22 175.32 2hg1 s PRO 278 N -1.13 4.33 -0.16 0.24 0.04 -1.26 -4.90 135.00 132.16 2hg1 s PRO 278 Ca 0.05 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2hg1 s PRO 278 Cb -0.08 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.33 2hg1 s PRO 278 CO 0.01 -0.32 -0.20 0.42 0.04 0.00 0.00 177.00 176.95 2hg1 s ILE 279 N -0.11 2.12 0.16 0.56 1.01 -1.26 -2.15 121.20 121.53 2hg1 s ILE 279 Ca 0.57 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 60.36 2hg1 s ILE 279 Cb -0.39 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2hg1 s ILE 279 CO 0.42 0.54 -0.08 -0.31 0.00 0.00 0.00 174.94 175.51 2hg1 s TYR 280 N 1.04 2.68 -0.11 3.97 2.02 0.50 -0.16 117.35 127.30 2hg1 s TYR 280 Ca -0.01 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2hg1 s TYR 280 Cb -0.14 -1.33 0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2hg1 s TYR 280 CO -0.07 0.50 -0.13 0.08 -1.57 0.00 0.00 175.55 174.36 2hg1 s VAL 281 N -1.61 1.36 -0.21 0.71 1.01 -0.53 -0.13 120.40 120.99 2hg1 s VAL 281 Ca 0.24 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2hg1 s VAL 281 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2hg1 s VAL 281 CO 0.15 0.41 1.91 0.86 0.00 0.00 0.00 175.10 178.44 2hg1 s TRP 282 N 1.13 1.60 0.39 5.22 -0.11 -0.36 -1.46 118.94 125.35 2hg1 s TRP 282 Ca -0.04 0.43 0.04 0.00 1.22 0.00 0.00 56.10 57.74 2hg1 s TRP 282 Cb -0.14 -4.04 -0.03 0.00 -1.50 0.00 0.00 33.47 27.76 2hg1 s TRP 282 CO -0.03 -3.68 0.12 -1.12 -4.62 0.00 0.00 176.95 167.61 2hg1 s SER 283 N 6.10 2.68 -0.01 5.86 0.01 0.15 -4.71 113.70 123.79 2hg1 s SER 283 Ca 0.86 -1.63 0.03 0.00 1.31 0.00 0.00 55.95 56.52 2hg1 s SER 283 Cb -0.29 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2hg1 s SER 283 CO 0.34 -0.89 -0.06 -0.94 0.41 0.00 0.00 173.24 172.10 2hg1 s SER 284 N -3.58 4.65 0.00 2.44 1.04 -1.26 -1.23 113.70 115.76 2hg1 s SER 284 Ca 0.26 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2hg1 s SER 284 Cb 0.03 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 65.05 2hg1 s SER 284 CO 0.15 0.29 0.00 0.29 0.98 0.00 0.00 173.24 174.95 2hg1 n LYS 285 N 1.64 2.18 -3.11 4.02 5.02 -1.26 -4.98 118.16 121.67 2hg1 n LYS 285 Ca -0.16 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.69 2hg1 n LYS 285 Cb 0.53 -0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.80 2hg1 n LYS 285 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hg1 s THR 329 N -1.31 5.36 -0.13 -0.18 2.01 -1.26 -4.88 115.64 115.25 2hg1 s THR 329 Ca 0.00 -2.67 -0.01 0.00 0.31 0.00 0.00 61.69 59.32 2hg1 s THR 329 Cb 0.00 -4.74 -0.02 0.00 0.01 0.00 0.00 72.50 67.75 2hg1 s THR 329 CO 0.00 -1.39 -0.11 -0.69 -0.69 0.00 0.00 174.62 171.74 2hg1 s VAL 330 N 0.71 3.25 -0.15 3.82 1.01 -1.26 -5.11 120.40 122.68 2hg1 s VAL 330 Ca 0.34 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2hg1 s VAL 330 Cb -0.06 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2hg1 s VAL 330 CO -0.05 0.52 0.13 0.26 0.00 0.00 0.00 175.10 175.96 2hg1 s TRP 331 N 0.24 3.51 0.22 5.22 0.52 -1.26 -4.38 118.94 123.00 2hg1 s TRP 331 Ca -0.07 0.44 -0.22 0.00 0.02 0.00 0.00 56.10 56.26 2hg1 s TRP 331 Cb -0.15 -2.01 0.06 0.00 -1.15 0.00 0.00 33.47 30.22 2hg1 s TRP 331 CO 0.05 0.56 0.92 0.34 0.02 0.00 0.00 176.95 178.83 2hg1 s ASP 332 N -0.51 -0.12 -0.01 2.95 2.15 -0.37 -4.98 116.67 115.79 2hg1 s ASP 332 Ca 0.12 -0.62 -0.30 0.00 0.43 0.00 0.00 52.55 52.18 2hg1 s ASP 332 Cb -0.12 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.05 2hg1 s ASP 332 CO 0.02 -1.12 1.15 0.26 -0.17 0.00 0.00 175.17 175.32 2hg1 s TRP 333 N -2.97 3.37 -0.20 -5.34 0.52 -1.26 -0.67 118.94 112.38 2hg1 s TRP 333 Ca 0.15 1.34 -0.04 0.00 0.02 0.00 0.00 56.10 57.57 2hg1 s TRP 333 Cb -0.03 -3.36 -0.01 0.00 -1.15 0.00 0.00 33.47 28.91 2hg1 s TRP 333 CO 0.05 -1.04 -0.04 -2.00 0.02 0.00 0.00 176.95 173.94 2hg1 s GLU 334 N 1.62 3.45 0.09 4.98 2.12 -0.54 -4.91 118.70 125.52 2hg1 s GLU 334 Ca 0.56 -0.60 -0.31 0.00 0.36 0.00 0.00 54.97 54.98 2hg1 s GLU 334 Cb -0.25 -2.99 -0.08 0.00 0.26 0.00 0.00 34.13 31.07 2hg1 s GLU 334 CO 0.25 -0.09 1.59 -1.17 -0.54 0.00 0.00 175.26 175.30 2hg1 s LEU 335 N 1.21 4.36 0.00 2.70 2.96 -1.26 -1.45 118.68 127.20 2hg1 s LEU 335 Ca 0.03 2.47 0.18 0.00 -0.22 0.00 0.00 54.13 56.58 2hg1 s LEU 335 Cb -0.14 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 2hg1 s LEU 335 CO -0.01 -0.84 0.78 0.23 -1.32 0.00 0.00 176.35 175.20 2hg1 n MET 336 N 5.04 1.21 0.00 1.98 2.81 0.78 -4.96 117.12 123.97 2hg1 n MET 336 Ca 0.15 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2hg1 n MET 336 Cb 0.40 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 2hg1 n MET 336 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75