#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg7 s ILE 2 N 0.00 4.51 0.39 1.12 1.09 -1.26 -2.67 121.20 124.38 2hg7 s ILE 2 Ca 0.00 -0.47 0.08 0.00 -1.10 0.00 0.00 60.65 59.16 2hg7 s ILE 2 Cb 0.00 -3.31 0.18 0.00 -1.06 0.00 0.00 42.46 38.26 2hg7 s ILE 2 CO 0.00 0.06 1.94 0.25 -0.10 0.00 0.00 174.94 177.08 2hg7 h LEU 3 N 8.34 0.31 -0.44 2.97 7.12 -1.54 -3.07 115.31 128.99 2hg7 h LEU 3 Ca -0.32 -0.05 0.08 0.00 0.13 0.00 0.00 57.88 57.72 2hg7 h LEU 3 Cb 1.14 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 41.12 2hg7 h LEU 3 CO 0.62 0.40 0.01 0.22 -0.13 0.00 0.00 178.44 179.56 2hg7 h TYR 4 N 0.32 0.00 -0.11 1.25 3.20 -1.93 0.50 116.97 120.20 2hg7 h TYR 4 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2hg7 h TYR 4 Cb 0.29 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2hg7 h TYR 4 CO 0.01 -0.08 0.06 -0.44 -1.64 0.00 0.00 178.16 176.07 2hg7 h ASP 5 N 0.13 0.14 -0.67 -2.11 3.32 -1.95 0.74 116.42 116.01 2hg7 h ASP 5 Ca 0.22 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2hg7 h ASP 5 Cb 0.32 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2hg7 h ASP 5 CO -0.36 0.18 0.40 0.00 -1.72 0.00 0.00 179.24 177.74 2hg7 h ALA 6 N 0.96 0.89 -0.47 3.45 0.00 -1.46 -0.94 119.26 121.70 2hg7 h ALA 6 Ca 0.04 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2hg7 h ALA 6 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2hg7 h ALA 6 CO -0.01 0.12 -0.14 0.82 0.00 0.00 0.00 179.25 180.04 2hg7 h ILE 7 N 0.75 1.27 0.00 0.00 2.04 -0.62 -2.50 117.51 118.44 2hg7 h ILE 7 Ca 0.29 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2hg7 h ILE 7 Cb 0.11 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2hg7 h ILE 7 CO -0.14 0.43 -0.11 0.24 0.00 0.00 0.00 178.15 178.57 2hg7 h MET 8 N 0.78 0.00 0.18 2.37 2.86 -0.24 0.39 114.93 121.27 2hg7 h MET 8 Ca 0.12 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.46 2hg7 h MET 8 Cb 0.66 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.35 2hg7 h MET 8 CO 0.05 0.11 -1.33 -0.92 1.06 0.00 0.00 176.91 175.87 2hg7 h TYR 9 N 0.00 0.84 0.00 -0.22 3.20 -0.78 -3.05 116.97 116.96 2hg7 h TYR 9 Ca -0.00 -0.58 -0.01 0.00 3.14 0.00 0.00 58.73 61.27 2hg7 h TYR 9 Cb 0.52 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 2hg7 h TYR 9 CO 0.00 1.44 -0.08 -0.22 -1.64 0.00 0.00 178.16 177.66 2hg7 h LYS 10 N 0.16 0.00 -3.27 1.82 3.11 -1.13 -3.41 116.57 113.86 2hg7 h LYS 10 Ca -0.20 0.00 -0.64 0.00 -2.81 0.00 0.00 60.65 57.00 2hg7 h LYS 10 Cb 2.03 0.00 -0.41 0.00 -1.00 0.00 0.00 32.23 32.85 2hg7 h LYS 10 CO 0.24 0.92 -0.55 0.71 -2.81 0.00 0.00 179.45 177.96 2hg7 s TYR 11 N -2.18 3.41 -0.01 1.91 2.02 0.14 -4.94 117.35 117.70 2hg7 s TYR 11 Ca -0.18 -3.20 0.29 0.00 -0.37 0.00 0.00 57.07 53.61 2hg7 s TYR 11 Cb -0.02 -2.83 1.05 0.00 -0.40 0.00 0.00 41.96 39.76 2hg7 s TYR 11 CO 0.63 -0.67 1.87 -1.00 -1.57 0.00 0.00 175.55 174.81 2hg7 h PRO 12 N 6.04 0.00 -0.00 -1.71 0.13 -1.72 -2.80 132.00 131.94 2hg7 h PRO 12 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2hg7 h PRO 12 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2hg7 h PRO 12 CO 0.71 0.05 -0.42 -1.71 -0.23 0.00 0.00 178.00 176.41 2hg7 n ASN 13 N -3.15 0.67 -4.77 1.44 4.05 -1.26 -4.93 115.26 107.31 2hg7 n ASN 13 Ca 0.01 -0.46 -0.40 0.00 0.45 0.00 0.00 54.58 54.18 2hg7 n ASN 13 Cb 0.38 0.21 -0.01 0.00 1.23 0.00 0.00 39.78 41.60 2hg7 n ASN 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hg7 s ALA 14 N -2.83 3.33 -0.19 5.20 0.00 -1.06 -5.00 121.76 121.21 2hg7 s ALA 14 Ca 0.15 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2hg7 s ALA 14 Cb 0.18 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2hg7 s ALA 14 CO 0.64 -0.84 0.06 0.08 0.00 0.00 0.00 175.76 175.71 2hg7 s VAL 15 N -1.22 4.71 0.35 0.00 1.01 -1.26 -5.01 120.40 118.97 2hg7 s VAL 15 Ca 0.55 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 2hg7 s VAL 15 Cb -0.39 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2hg7 s VAL 15 CO 0.51 0.44 1.19 -0.94 0.00 0.00 0.00 175.10 176.30 2hg7 s SER 16 N 0.56 6.81 -1.45 3.32 1.04 -1.26 -0.68 113.70 122.03 2hg7 s SER 16 Ca 0.03 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2hg7 s SER 16 Cb -0.13 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2hg7 s SER 16 CO 0.01 -0.48 0.00 0.54 0.98 0.00 0.00 173.24 174.29 2hg7 n ARG 17 N 0.59 -1.14 0.15 4.02 1.74 0.15 -4.74 116.66 117.45 2hg7 n ARG 17 Ca 0.02 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2hg7 n ARG 17 Cb 0.45 -5.13 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 2hg7 n ARG 17 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hg7 n LYS 18 N -2.51 0.00 0.04 5.56 4.81 -1.07 -4.92 118.16 120.07 2hg7 n LYS 18 Ca -0.17 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.07 2hg7 n LYS 18 Cb 0.57 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.48 2hg7 n LYS 18 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2hg7 h ASP 19 N 0.00 0.47 -4.92 3.14 3.32 -1.19 -3.43 116.42 113.80 2hg7 h ASP 19 Ca 0.00 -0.79 -0.10 0.00 0.02 0.00 0.00 57.03 56.15 2hg7 h ASP 19 Cb 0.00 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 39.20 2hg7 h ASP 19 CO 0.00 1.68 -0.16 0.72 -1.72 0.00 0.00 179.24 179.77 2hg7 s PHE 20 N -2.58 -0.32 -0.02 4.55 -0.71 -1.21 -0.91 117.98 116.78 2hg7 s PHE 20 Ca -0.16 0.53 0.01 0.00 -1.04 0.00 0.00 56.93 56.28 2hg7 s PHE 20 Cb 0.06 0.18 0.01 0.00 -1.21 0.00 0.00 43.02 42.06 2hg7 s PHE 20 CO 0.83 -0.43 -0.04 -2.00 -1.34 0.00 0.00 175.22 172.23 2hg7 s GLU 21 N -1.20 0.49 0.20 1.99 2.12 -0.75 0.35 118.70 121.90 2hg7 s GLU 21 Ca -0.12 -0.11 0.10 0.00 0.36 0.00 0.00 54.97 55.20 2hg7 s GLU 21 Cb -0.04 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 2hg7 s GLU 21 CO 0.05 0.01 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.12 2hg7 s LEU 22 N 0.36 2.72 0.41 2.70 1.43 -1.26 -0.47 118.68 124.57 2hg7 s LEU 22 Ca -0.04 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.35 2hg7 s LEU 22 Cb -0.08 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 2hg7 s LEU 22 CO -0.00 0.10 0.04 -0.13 0.23 0.00 0.00 176.35 176.59 2hg7 s ARG 23 N -2.88 1.93 -0.28 1.70 3.00 -0.65 -4.88 118.95 116.89 2hg7 s ARG 23 Ca 0.24 -2.14 -0.13 0.00 0.00 0.00 0.00 55.73 53.70 2hg7 s ARG 23 Cb -0.08 -1.19 -0.04 0.00 0.00 0.00 0.00 34.95 33.63 2hg7 s ARG 23 CO 0.13 -0.25 0.26 1.21 0.00 0.00 0.00 175.30 176.65 2hg7 s ASN 24 N -3.67 6.11 0.08 0.23 2.47 -1.26 -0.40 114.94 118.49 2hg7 s ASN 24 Ca 0.26 0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.60 2hg7 s ASN 24 Cb 0.06 -2.15 -0.25 0.00 -1.45 0.00 0.00 41.25 37.45 2hg7 s ASN 24 CO 0.13 -0.12 1.13 -0.78 -3.72 0.00 0.00 177.10 173.74 2hg7 h ASP 25 N 8.31 0.25 0.00 -4.21 3.58 -1.02 -3.48 116.42 119.86 2hg7 h ASP 25 Ca -0.33 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2hg7 h ASP 25 Cb 1.18 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2hg7 h ASP 25 CO 0.59 1.23 0.00 0.61 -2.88 0.00 0.00 179.24 178.79 2hg7 n GLY 26 N 1.49 2.06 1.04 -0.78 0.00 -1.26 -4.84 105.19 102.90 2hg7 n GLY 26 Ca -0.07 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.33 2hg7 n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hg7 n ASN 27 N 0.00 3.02 0.00 1.61 3.02 -1.26 -5.03 115.26 116.62 2hg7 n ASN 27 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2hg7 n ASN 27 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2hg7 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hg7 n GLY 28 N 1.40 0.92 3.72 7.41 0.00 -1.26 0.32 105.19 117.70 2hg7 n GLY 28 Ca 0.19 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 2hg7 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hg7 s SER 29 N -1.32 7.11 0.42 1.61 0.01 -1.09 -0.31 113.70 120.13 2hg7 s SER 29 Ca 0.00 1.34 0.06 0.00 1.31 0.00 0.00 55.95 58.66 2hg7 s SER 29 Cb 0.00 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 2hg7 s SER 29 CO 0.00 -0.14 0.01 -0.72 0.41 0.00 0.00 173.24 172.81 2hg7 s TYR 30 N 0.74 2.38 -0.20 2.43 1.13 0.46 -1.21 117.35 123.09 2hg7 s TYR 30 Ca 0.41 -0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 55.07 2hg7 s TYR 30 Cb -0.19 -1.73 -0.00 0.00 -1.10 0.00 0.00 41.96 38.94 2hg7 s TYR 30 CO 0.21 0.39 0.93 0.42 -2.51 0.00 0.00 175.55 174.99 2hg7 s ILE 31 N -2.77 4.79 -0.07 -3.49 1.01 -1.26 -1.63 121.20 117.77 2hg7 s ILE 31 Ca 0.30 1.82 -0.10 0.00 0.00 0.00 0.00 60.65 62.67 2hg7 s ILE 31 Cb 0.09 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2hg7 s ILE 31 CO 0.15 -0.07 -0.20 1.21 0.00 0.00 0.00 174.94 176.03 2hg7 n GLU 32 N 5.76 0.30 -3.71 2.79 0.00 -0.82 -4.90 120.64 120.06 2hg7 n GLU 32 Ca 0.08 0.12 -0.36 0.00 0.00 0.00 0.00 57.16 57.01 2hg7 n GLU 32 Cb 0.47 -1.03 -0.07 0.00 0.00 0.00 0.00 31.44 30.81 2hg7 n GLU 32 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2hg7 s LYS 33 N -2.48 4.08 -0.18 5.31 -0.14 0.38 -4.96 119.74 121.75 2hg7 s LYS 33 Ca -0.17 -0.14 -0.02 0.00 -1.36 0.00 0.00 55.97 54.28 2hg7 s LYS 33 Cb 0.03 -3.38 0.05 0.00 -1.68 0.00 0.00 37.83 32.86 2hg7 s LYS 33 CO 0.25 0.37 0.02 -0.46 -0.76 0.00 0.00 175.35 174.76 2hg7 s TRP 34 N 0.14 1.14 -0.84 3.18 -0.11 -1.26 -1.80 118.94 119.39 2hg7 s TRP 34 Ca 0.11 -0.86 0.07 0.00 1.22 0.00 0.00 56.10 56.64 2hg7 s TRP 34 Cb -0.12 -1.06 0.07 0.00 -1.50 0.00 0.00 33.47 30.86 2hg7 s TRP 34 CO 0.00 -0.59 0.78 0.09 -4.62 0.00 0.00 176.95 172.61 2hg7 n ASN 35 N 5.02 1.71 -4.80 5.86 3.02 -0.09 -5.02 115.26 120.96 2hg7 n ASN 35 Ca -0.09 -1.38 -0.35 0.00 -0.03 0.00 0.00 54.58 52.73 2hg7 n ASN 35 Cb 0.47 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 2hg7 n ASN 35 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hg7 s LEU 36 N -0.64 4.08 -0.22 3.41 1.43 -1.20 -4.93 118.68 120.61 2hg7 s LEU 36 Ca 0.09 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 2hg7 s LEU 36 Cb 0.06 -4.33 0.20 0.00 0.03 0.00 0.00 46.19 42.15 2hg7 s LEU 36 CO 0.09 -0.34 1.75 0.54 0.23 0.00 0.00 176.35 178.62 2hg7 n ARG 37 N -0.23 1.57 -4.80 1.70 1.74 -1.26 -4.84 116.66 110.54 2hg7 n ARG 37 Ca 0.05 -1.19 -0.25 0.00 -0.77 0.00 0.00 57.85 55.69 2hg7 n ARG 37 Cb 0.52 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 2hg7 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hg7 s ALA 38 N -1.36 1.51 0.59 7.54 0.00 -1.26 -5.13 121.76 123.65 2hg7 s ALA 38 Ca 0.23 -0.82 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 2hg7 s ALA 38 Cb 0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2hg7 s ALA 38 CO 0.01 0.36 1.27 -1.25 0.00 0.00 0.00 175.76 176.16 2hg7 s PRO 39 N -0.58 2.95 0.10 0.00 0.04 -1.26 -4.95 135.00 131.30 2hg7 s PRO 39 Ca 0.07 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 2hg7 s PRO 39 Cb -0.07 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 2hg7 s PRO 39 CO -0.00 -1.27 1.46 -0.51 0.04 0.00 0.00 177.00 176.71 2hg7 s LEU 40 N -3.93 4.36 1.02 -3.56 2.01 -1.26 -5.02 118.68 112.31 2hg7 s LEU 40 Ca 0.76 2.37 -0.14 0.00 0.01 0.00 0.00 54.13 57.13 2hg7 s LEU 40 Cb -0.35 -3.58 0.20 0.00 0.01 0.00 0.00 46.19 42.47 2hg7 s LEU 40 CO 0.39 -0.73 1.11 -2.16 1.01 0.00 0.00 176.35 175.98 2hg7 s PRO 41 N 1.52 0.22 0.46 1.29 0.04 -1.26 -5.06 135.00 132.20 2hg7 s PRO 41 Ca 0.67 0.31 0.01 0.00 0.04 0.00 0.00 61.00 62.02 2hg7 s PRO 41 Cb -0.38 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2hg7 s PRO 41 CO 0.30 -2.83 0.68 0.95 0.04 0.00 0.00 177.00 176.14 2hg7 s THR 42 N -3.07 3.81 0.26 1.26 -4.23 -1.26 -4.91 115.64 107.50 2hg7 s THR 42 Ca 0.66 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 2hg7 s THR 42 Cb -0.16 -3.41 0.26 0.00 1.34 0.00 0.00 72.50 70.54 2hg7 s THR 42 CO 0.56 -0.28 1.92 1.56 -0.54 0.00 0.00 174.62 177.85 2hg7 h GLN 43 N 0.38 1.23 -0.46 3.99 1.08 -1.99 0.11 115.11 119.46 2hg7 h GLN 43 Ca -0.45 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 2hg7 h GLN 43 Cb 1.26 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2hg7 h GLN 43 CO 0.56 0.82 0.24 0.00 -0.95 0.00 0.00 178.83 179.50 2hg7 h ALA 44 N 1.41 0.58 -0.22 3.87 0.00 -1.99 -1.01 119.26 121.91 2hg7 h ALA 44 Ca 0.38 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2hg7 h ALA 44 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2hg7 h ALA 44 CO -0.10 0.12 0.09 0.93 0.00 0.00 0.00 179.25 180.28 2hg7 h GLU 45 N 0.60 0.19 -0.45 0.00 5.08 -1.72 0.03 114.58 118.31 2hg7 h GLU 45 Ca 0.16 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2hg7 h GLU 45 Cb 0.07 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2hg7 h GLU 45 CO -0.02 0.12 0.14 -0.07 -1.00 0.00 0.00 179.01 178.18 2hg7 h LEU 46 N 0.19 0.11 -1.15 1.33 3.38 -0.55 -1.68 115.31 116.95 2hg7 h LEU 46 Ca 0.09 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2hg7 h LEU 46 Cb 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2hg7 h LEU 46 CO -0.08 0.10 -0.39 -0.33 0.09 0.00 0.00 178.44 177.82 2hg7 h GLU 47 N 0.29 0.00 0.07 1.13 5.08 -0.89 -2.03 114.58 118.23 2hg7 h GLU 47 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2hg7 h GLU 47 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2hg7 h GLU 47 CO -0.24 0.39 -0.03 1.15 -1.00 0.00 0.00 179.01 179.28 2hg7 h THR 48 N 0.00 1.03 -0.59 1.13 2.02 -0.07 0.27 112.91 116.71 2hg7 h THR 48 Ca -0.00 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 2hg7 h THR 48 Cb 0.77 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2hg7 h THR 48 CO 0.05 0.08 0.07 -0.50 0.37 0.00 0.00 175.52 175.59 2hg7 h TRP 49 N -0.24 1.03 -0.13 3.16 6.55 -1.38 -1.31 115.95 123.63 2hg7 h TRP 49 Ca -0.01 -0.14 0.01 0.00 0.95 0.00 0.00 58.89 59.70 2hg7 h TRP 49 Cb 0.20 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.21 2hg7 h TRP 49 CO -0.02 0.89 0.03 2.35 -1.05 0.00 0.00 178.44 180.64 2hg7 h TRP 50 N 0.91 0.06 -0.52 0.49 2.91 -1.16 0.95 115.95 119.58 2hg7 h TRP 50 Ca 0.18 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.20 2hg7 h TRP 50 Cb 0.44 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.06 2hg7 h TRP 50 CO 0.03 0.03 0.32 1.49 -1.03 0.00 0.00 178.44 179.27 2hg7 h GLU 51 N 0.09 0.71 -0.52 2.65 4.81 -0.20 0.84 114.58 122.98 2hg7 h GLU 51 Ca 0.06 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2hg7 h GLU 51 Cb 0.04 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2hg7 h GLU 51 CO -0.07 0.52 0.09 0.93 -0.73 0.00 0.00 179.01 179.75 2hg7 h GLU 52 N 0.70 0.85 -0.80 1.92 5.08 -1.05 0.27 114.58 121.55 2hg7 h GLU 52 Ca 0.19 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2hg7 h GLU 52 Cb -0.01 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2hg7 h GLU 52 CO -0.04 0.84 0.52 1.25 -1.00 0.00 0.00 179.01 180.58 2hg7 h LEU 53 N 0.73 0.93 -0.47 1.33 6.46 -0.42 -0.04 115.31 123.83 2hg7 h LEU 53 Ca 0.16 -0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.73 2hg7 h LEU 53 Cb 0.40 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2hg7 h LEU 53 CO 0.01 0.69 -0.38 1.56 -0.62 0.00 0.00 178.44 179.70 2hg7 h GLN 54 N 1.09 0.85 0.00 1.25 1.08 -0.40 -3.06 115.11 115.92 2hg7 h GLN 54 Ca 0.29 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2hg7 h GLN 54 Cb -0.10 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2hg7 h GLN 54 CO -0.06 1.08 0.00 1.17 -0.95 0.00 0.00 178.83 180.07 2hg7 n LYS 55 N -4.05 0.17 -3.73 1.46 4.81 0.04 -4.86 118.16 112.01 2hg7 n LYS 55 Ca -0.02 0.15 -0.26 0.00 -0.87 0.00 0.00 58.31 57.31 2hg7 n LYS 55 Cb 0.54 -1.70 -0.03 0.00 0.02 0.00 0.00 35.03 33.85 2hg7 n LYS 55 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2hg7 s ASN 56 N -4.01 6.37 0.75 3.14 0.01 -0.08 -5.07 114.94 116.04 2hg7 s ASN 56 Ca 0.12 0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 52.49 2hg7 s ASN 56 Cb 0.14 -1.98 0.04 0.00 0.41 0.00 0.00 41.25 39.86 2hg7 s ASN 56 CO 0.57 -0.05 1.10 -2.84 -1.51 0.00 0.00 177.10 174.36 2hg7 s PRO 57 N -3.45 2.46 0.49 -0.60 0.02 -1.26 -4.93 135.00 127.71 2hg7 s PRO 57 Ca 0.38 0.57 -0.22 0.00 0.02 0.00 0.00 61.00 61.75 2hg7 s PRO 57 Cb -0.11 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 2hg7 s PRO 57 CO 0.30 -1.34 1.21 -2.14 -0.33 0.00 0.00 177.00 174.69 2hg7 s PRO 58 N -5.24 3.58 0.29 5.54 0.02 -1.26 -5.02 135.00 132.91 2hg7 s PRO 58 Ca 0.59 1.87 -0.20 0.00 0.02 0.00 0.00 61.00 63.29 2hg7 s PRO 58 Cb -0.13 -2.34 -0.09 0.00 0.02 0.00 0.00 34.50 31.96 2hg7 s PRO 58 CO 0.53 -0.72 0.78 -0.47 -0.33 0.00 0.00 177.00 176.80 2hg7 s TYR 59 N -1.50 3.55 -2.12 6.54 5.04 -1.26 -5.31 117.35 122.28 2hg7 s TYR 59 Ca 0.66 1.43 0.31 0.00 -2.44 0.00 0.00 57.07 57.03 2hg7 s TYR 59 Cb -0.31 -2.67 1.70 0.00 0.35 0.00 0.00 41.96 41.03 2hg7 s TYR 59 CO 0.37 0.21 2.11 -1.91 -1.34 0.00 0.00 175.55 174.99