#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hve n ASN 3 N 0.00 0.00 -1.07 0.00 2.85 -1.26 -4.53 115.26 111.26 2hve n ASN 3 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 2hve n ASN 3 Cb 0.00 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.19 2hve n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hve n GLU 5 N 1.42 1.56 -4.38 0.00 2.13 -1.26 -4.74 120.64 115.37 2hve n GLU 5 Ca 0.17 0.55 -0.23 0.00 0.66 0.00 0.00 57.16 58.31 2hve n GLU 5 Cb 0.60 -2.03 -0.11 0.00 0.27 0.00 0.00 31.44 30.17 2hve n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2hve s ARG 6 N -1.77 1.40 0.15 5.31 0.52 -1.26 -0.41 118.95 122.89 2hve s ARG 6 Ca 0.59 -1.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 2hve s ARG 6 Cb -0.62 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2hve s ARG 6 CO 0.60 0.30 -0.06 -0.08 0.02 0.00 0.00 175.30 176.08 2hve s THR 7 N -2.10 0.90 -0.21 0.02 -1.32 0.84 -4.59 115.64 109.18 2hve s THR 7 Ca 0.20 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.57 2hve s THR 7 Cb -0.06 -1.91 -0.05 0.00 -1.51 0.00 0.00 72.50 68.97 2hve s THR 7 CO 0.09 -0.68 0.14 0.12 -2.21 0.00 0.00 174.62 172.07 2hve s PHE 8 N -3.50 3.39 -0.04 9.09 5.36 -1.26 -1.77 117.98 129.24 2hve s PHE 8 Ca 0.18 0.31 0.03 0.00 -0.96 0.00 0.00 56.93 56.49 2hve s PHE 8 Cb 0.04 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 2hve s PHE 8 CO 0.01 0.25 -0.14 0.42 -1.46 0.00 0.00 175.22 174.29 2hve s ILE 9 N 0.49 1.20 -0.06 3.12 -1.09 -0.65 -1.52 121.20 122.69 2hve s ILE 9 Ca 0.08 -0.57 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 2hve s ILE 9 Cb -0.11 -1.05 -0.00 0.00 -1.58 0.00 0.00 42.46 39.71 2hve s ILE 9 CO -0.01 0.36 -0.19 0.00 -1.23 0.00 0.00 174.94 173.87 2hve s ALA 10 N 0.23 1.74 -0.28 9.38 0.00 -0.51 -0.29 121.76 132.02 2hve s ALA 10 Ca -0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 50.92 2hve s ALA 10 Cb -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2hve s ALA 10 CO 0.02 0.28 0.67 0.42 0.00 0.00 0.00 175.76 177.15 2hve s ILE 11 N 0.19 4.93 0.82 0.00 1.01 0.63 -0.17 121.20 128.61 2hve s ILE 11 Ca -0.09 1.08 -0.12 0.00 0.00 0.00 0.00 60.65 61.52 2hve s ILE 11 Cb -0.14 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.41 2hve s ILE 11 CO 0.04 -0.08 1.11 -0.54 0.00 0.00 0.00 174.94 175.47 2hve s LYS 12 N 2.64 1.87 0.40 2.79 1.02 -0.15 -1.97 119.74 126.33 2hve s LYS 12 Ca 0.27 0.54 0.13 0.00 0.02 0.00 0.00 55.97 56.93 2hve s LYS 12 Cb -0.15 -1.90 0.95 0.00 -0.52 0.00 0.00 37.83 36.21 2hve s LYS 12 CO 0.10 -1.75 1.91 -1.35 -0.92 0.00 0.00 175.35 173.34 2hve h PRO 13 N -1.18 0.52 -0.32 -1.68 0.11 -1.85 -0.56 132.00 127.04 2hve h PRO 13 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2hve h PRO 13 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2hve h PRO 13 CO 0.60 0.34 -0.18 0.38 -0.21 0.00 0.00 178.00 178.93 2hve h ASP 14 N 0.53 0.57 -0.60 -2.05 2.03 -1.89 -1.17 116.42 113.85 2hve h ASP 14 Ca 0.39 -0.18 -0.06 0.00 -0.73 0.00 0.00 57.03 56.45 2hve h ASP 14 Cb 0.74 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.06 2hve h ASP 14 CO -0.14 0.77 0.14 1.23 -1.03 0.00 0.00 179.24 180.20 2hve h GLY 15 N 0.98 1.07 0.68 7.15 0.00 -1.28 -0.64 103.07 111.03 2hve h GLY 15 Ca 0.08 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2hve h GLY 15 CO 0.04 0.61 -0.04 -2.08 0.00 0.00 0.00 176.54 175.08 2hve h VAL 16 N 0.95 1.32 -0.13 4.60 2.07 -1.32 -1.85 116.25 121.88 2hve h VAL 16 Ca 0.20 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2hve h VAL 16 Cb 0.36 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2hve h VAL 16 CO 0.00 0.29 -0.11 1.56 0.02 0.00 0.00 177.57 179.33 2hve h GLN 17 N -0.19 0.20 -0.63 1.57 1.08 -1.13 -2.69 115.11 113.32 2hve h GLN 17 Ca 0.02 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2hve h GLN 17 Cb 0.48 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2hve h GLN 17 CO 0.01 0.33 0.00 0.54 -0.95 0.00 0.00 178.83 178.76 2hve n ARG 18 N -4.30 3.17 -1.91 1.46 1.74 -0.25 -4.96 116.66 111.61 2hve n ARG 18 Ca -0.01 -2.40 -0.06 0.00 -0.77 0.00 0.00 57.85 54.62 2hve n ARG 18 Cb 0.25 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2hve n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hve n GLY 19 N 1.10 0.28 1.21 -0.13 0.00 -1.01 -4.96 105.19 101.68 2hve n GLY 19 Ca 0.22 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.64 2hve n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hve n LEU 20 N -0.76 3.92 0.08 0.99 4.77 -0.71 -4.60 117.00 120.70 2hve n LEU 20 Ca -0.06 -2.19 -0.13 0.00 -0.03 0.00 0.00 56.01 53.60 2hve n LEU 20 Cb 0.47 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 2hve n LEU 20 CO 0.08 0.86 0.76 0.58 -1.33 0.00 0.00 177.39 178.33 2hve h VAL 21 N 3.51 0.96 -0.24 4.08 2.07 -1.89 -2.12 116.25 122.62 2hve h VAL 21 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2hve h VAL 21 Cb 1.08 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2hve h VAL 21 CO 0.08 0.07 0.09 1.23 0.02 0.00 0.00 177.57 179.06 2hve h GLY 22 N -0.30 0.38 0.22 2.17 0.00 -1.97 -1.88 103.07 101.69 2hve h GLY 22 Ca -0.02 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.20 2hve h GLY 22 CO 0.03 0.20 0.04 -2.09 0.00 0.00 0.00 176.54 174.71 2hve h GLU 23 N 0.23 0.16 -0.31 4.80 4.57 -1.84 0.10 114.58 122.28 2hve h GLU 23 Ca 0.08 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2hve h GLU 23 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2hve h GLU 23 CO -0.01 0.10 -0.10 0.82 -1.18 0.00 0.00 179.01 178.65 2hve h ILE 24 N 0.16 1.28 -0.80 2.32 2.04 -1.31 -2.46 117.51 118.75 2hve h ILE 24 Ca 0.26 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 2hve h ILE 24 Cb 0.38 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2hve h ILE 24 CO -0.39 0.37 0.41 0.40 0.00 0.00 0.00 178.15 178.95 2hve h ILE 25 N 0.38 1.24 -0.40 -0.67 2.04 -1.11 -2.96 117.51 116.03 2hve h ILE 25 Ca 0.08 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2hve h ILE 25 Cb 0.60 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2hve h ILE 25 CO 0.04 0.28 0.08 0.50 0.00 0.00 0.00 178.15 179.04 2hve h LYS 26 N 1.12 0.60 -0.37 2.37 3.64 -0.60 -0.24 116.57 123.09 2hve h LYS 26 Ca 0.28 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2hve h LYS 26 Cb 0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2hve h LYS 26 CO -0.04 0.56 -0.33 0.00 -2.27 0.00 0.00 179.45 177.37 2hve h ARG 27 N 0.58 0.83 -0.18 1.90 3.08 -1.28 0.62 114.38 119.93 2hve h ARG 27 Ca 0.13 -0.40 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 2hve h ARG 27 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2hve h ARG 27 CO -0.00 1.03 -0.47 0.74 -1.07 0.00 0.00 179.97 180.21 2hve h PHE 28 N 0.69 0.81 0.20 3.04 -1.00 -1.42 -2.63 116.94 116.64 2hve h PHE 28 Ca 0.07 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2hve h PHE 28 Cb 0.88 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 2hve h PHE 28 CO 0.05 1.09 -0.21 0.93 -1.61 0.00 0.00 178.31 178.55 2hve h GLU 29 N 0.30 -0.44 0.00 1.51 5.08 -1.00 -2.80 114.58 117.23 2hve h GLU 29 Ca -0.01 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2hve h GLU 29 Cb 1.08 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hve h GLU 29 CO 0.10 -0.29 -0.04 -0.56 -1.00 0.00 0.00 179.01 177.22 2hve h GLN 30 N -0.46 0.00 0.00 2.33 3.07 -0.94 -2.15 115.11 116.96 2hve h GLN 30 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2hve h GLN 30 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2hve h GLN 30 CO -0.06 0.04 0.00 -0.22 0.09 0.00 0.00 178.83 178.68 2hve h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.33 -3.47 116.57 113.46 2hve h LYS 31 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2hve h LYS 31 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2hve h LYS 31 CO 0.01 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.42 2hve n GLY 32 N 0.38 0.33 3.75 5.01 0.00 -0.81 -5.09 105.19 108.76 2hve n GLY 32 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2hve n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hve s PHE 33 N -2.00 2.35 -0.20 1.61 0.08 -1.07 -5.02 117.98 113.73 2hve s PHE 33 Ca 0.00 1.53 -0.08 0.00 0.12 0.00 0.00 56.93 58.50 2hve s PHE 33 Cb 0.00 -3.46 -0.04 0.00 -0.57 0.00 0.00 43.02 38.95 2hve s PHE 33 CO 0.00 -2.25 0.08 0.50 -0.10 0.00 0.00 175.22 173.44 2hve s ARG 34 N -3.48 3.95 0.01 0.44 3.52 -0.72 -4.47 118.95 118.21 2hve s ARG 34 Ca 0.76 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 2hve s ARG 34 Cb -0.30 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 2hve s ARG 34 CO 0.36 0.19 1.22 -1.17 -0.81 0.00 0.00 175.30 175.09 2hve s LEU 35 N 0.60 4.33 -0.11 -0.88 0.20 -1.26 -1.12 118.68 120.44 2hve s LEU 35 Ca 0.04 1.95 -0.04 0.00 0.69 0.00 0.00 54.13 56.77 2hve s LEU 35 Cb -0.13 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.01 2hve s LEU 35 CO 0.01 -0.54 -0.13 0.52 -0.29 0.00 0.00 176.35 175.92 2hve n VAL 36 N 4.26 0.62 -4.22 1.68 0.31 0.52 -4.92 118.33 116.58 2hve n VAL 36 Ca 0.10 -0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 2hve n VAL 36 Cb 0.46 -1.46 -0.14 0.00 -0.91 0.00 0.00 33.84 31.80 2hve n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2hve s GLY 37 N -5.17 0.44 -0.17 2.92 0.00 -0.97 -0.67 107.32 103.71 2hve s GLY 37 Ca -0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 2hve s GLY 37 CO 0.21 -0.46 0.35 -2.27 0.00 0.00 0.00 173.10 170.93 2hve s LEU 38 N -0.63 -0.49 0.04 0.66 2.96 -1.26 -0.36 118.68 119.60 2hve s LEU 38 Ca -0.00 0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 54.57 2hve s LEU 38 Cb -0.05 1.03 -0.01 0.00 0.50 0.00 0.00 46.19 47.66 2hve s LEU 38 CO 0.00 -0.24 0.10 -1.59 -1.32 0.00 0.00 176.35 173.30 2hve s LYS 39 N 2.52 0.61 -0.14 1.98 -2.85 0.79 -5.01 119.74 117.64 2hve s LYS 39 Ca 0.01 -0.77 0.01 0.00 -1.00 0.00 0.00 55.97 54.22 2hve s LYS 39 Cb -0.12 0.24 -0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2hve s LYS 39 CO -0.11 -0.16 -0.17 0.12 0.10 0.00 0.00 175.35 175.14 2hve s PHE 40 N -2.70 2.74 -0.00 1.78 5.36 -1.26 -0.06 117.98 123.83 2hve s PHE 40 Ca -0.04 -0.99 -0.28 0.00 -0.96 0.00 0.00 56.93 54.66 2hve s PHE 40 Cb -0.01 -1.85 0.09 0.00 -0.34 0.00 0.00 43.02 40.92 2hve s PHE 40 CO -0.05 -0.42 0.80 0.00 -1.46 0.00 0.00 175.22 174.09 2hve s MET 41 N 0.65 0.93 -0.45 10.12 0.23 -0.83 -5.00 119.30 124.95 2hve s MET 41 Ca -0.09 -0.16 -0.18 0.00 -1.03 0.00 0.00 55.69 54.24 2hve s MET 41 Cb -0.16 0.43 0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2hve s MET 41 CO 0.02 -0.37 0.53 -1.14 -2.03 0.00 0.00 175.02 172.03 2hve s GLN 42 N -2.54 3.12 0.29 3.16 0.74 -1.26 -0.36 119.66 122.82 2hve s GLN 42 Ca -0.00 -0.78 -0.29 0.00 0.05 0.00 0.00 55.36 54.34 2hve s GLN 42 Cb -0.01 -4.02 -0.10 0.00 1.10 0.00 0.00 33.01 29.99 2hve s GLN 42 CO -0.05 -1.00 1.24 0.00 -0.55 0.00 0.00 175.29 174.94 2hve s ALA 43 N 2.36 3.47 0.66 1.58 0.00 -1.26 -5.02 121.76 123.55 2hve s ALA 43 Ca 0.14 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 2hve s ALA 43 Cb -0.18 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 2hve s ALA 43 CO 0.13 -0.48 1.05 -1.54 0.00 0.00 0.00 175.76 174.92 2hve s SER 44 N -0.47 5.70 0.23 0.00 1.04 -1.26 -4.66 113.70 114.28 2hve s SER 44 Ca 0.49 1.58 -0.07 0.00 0.48 0.00 0.00 55.95 58.43 2hve s SER 44 Cb -0.37 -2.49 0.20 0.00 0.10 0.00 0.00 66.02 63.46 2hve s SER 44 CO 0.47 -1.23 1.83 -0.33 0.98 0.00 0.00 173.24 174.96 2hve h GLU 45 N -0.42 1.23 0.39 4.02 5.08 -1.95 -1.19 114.58 121.74 2hve h GLU 45 Ca -0.44 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 2hve h GLU 45 Cb 1.20 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2hve h GLU 45 CO 0.58 0.93 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.83 2hve h ASP 46 N 1.22 -0.63 -0.61 1.42 3.32 -1.99 0.30 116.42 119.44 2hve h ASP 46 Ca 0.30 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.48 2hve h ASP 46 Cb 0.10 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2hve h ASP 46 CO -0.04 -0.40 0.22 0.25 -1.72 0.00 0.00 179.24 177.56 2hve h LEU 47 N -0.62 0.21 -0.68 1.55 5.85 -1.93 -0.98 115.31 118.71 2hve h LEU 47 Ca -0.04 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2hve h LEU 47 Cb 0.52 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2hve h LEU 47 CO 0.04 0.12 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.79 2hve h LEU 48 N 0.40 0.60 -0.72 2.25 3.38 -0.90 0.30 115.31 120.62 2hve h LEU 48 Ca 0.31 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2hve h LEU 48 Cb 0.40 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2hve h LEU 48 CO -0.32 0.93 0.10 0.11 0.09 0.00 0.00 178.44 179.36 2hve h LYS 49 N 0.47 1.08 -0.13 1.13 1.57 -0.02 -0.89 116.57 119.77 2hve h LYS 49 Ca 0.04 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 2hve h LYS 49 Cb 0.90 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2hve h LYS 49 CO 0.08 0.99 -0.36 1.49 -0.57 0.00 0.00 179.45 181.08 2hve h GLU 50 N 1.01 0.47 -0.71 3.15 4.57 -0.87 -1.60 114.58 120.60 2hve h GLU 50 Ca 0.20 -0.33 0.15 0.00 -1.18 0.00 0.00 59.36 58.20 2hve h GLU 50 Cb 0.44 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.97 2hve h GLU 50 CO 0.01 0.95 0.17 1.25 -1.18 0.00 0.00 179.01 180.21 2hve h HIS 51 N 0.07 0.26 -0.70 0.92 2.76 -0.35 -2.34 115.15 115.77 2hve h HIS 51 Ca -0.01 0.04 -0.22 0.00 -2.20 0.00 0.00 60.37 57.98 2hve h HIS 51 Cb 0.97 -0.01 -0.13 0.00 1.55 0.00 0.00 27.41 29.79 2hve h HIS 51 CO 0.11 -0.07 0.26 0.66 -1.30 0.00 0.00 177.93 177.59 2hve n TYR 52 N -5.15 2.32 -0.35 5.26 4.01 -0.35 -4.73 117.16 118.18 2hve n TYR 52 Ca 0.13 -1.26 0.05 0.00 -0.16 0.00 0.00 57.90 56.66 2hve n TYR 52 Cb 0.43 -0.67 0.22 0.00 -0.31 0.00 0.00 39.34 39.01 2hve n TYR 52 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2hve h VAL 53 N 2.38 1.02 0.00 -0.72 3.04 -0.71 0.12 116.25 121.38 2hve h VAL 53 Ca 0.27 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2hve h VAL 53 Cb 2.28 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2hve h VAL 53 CO 0.71 0.19 0.00 0.47 -1.01 0.00 0.00 177.57 177.94 2hve n ASP 54 N -4.54 0.00 -0.21 3.17 10.43 -1.26 -2.29 116.55 121.86 2hve n ASP 54 Ca 0.16 -0.07 0.02 0.00 2.57 0.00 0.00 54.79 57.47 2hve n ASP 54 Cb 0.25 -0.15 0.03 0.00 1.84 0.00 0.00 41.12 43.10 2hve n ASP 54 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2hve n LEU 55 N -1.15 1.73 0.32 0.64 4.77 0.03 -4.76 117.00 118.58 2hve n LEU 55 Ca 0.06 -1.37 0.11 0.00 -0.03 0.00 0.00 56.01 54.79 2hve n LEU 55 Cb 0.06 -0.03 0.60 0.00 -2.33 0.00 0.00 43.42 41.71 2hve n LEU 55 CO 0.07 0.40 1.06 0.07 -1.33 0.00 0.00 177.39 177.66 2hve h LYS 56 N 0.85 0.00 -0.65 3.23 2.10 -1.45 0.13 116.57 120.78 2hve h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hve h LYS 56 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2hve h LYS 56 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2hve n ASP 57 N -2.71 4.71 -4.83 7.07 3.85 -1.26 -4.96 116.55 118.42 2hve n ASP 57 Ca -0.01 -2.50 -0.31 0.00 -0.71 0.00 0.00 54.79 51.25 2hve n ASP 57 Cb 0.50 -0.59 -0.06 0.00 -1.35 0.00 0.00 41.12 39.63 2hve n ASP 57 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2hve s ARG 58 N -1.97 3.13 0.47 0.11 1.81 0.03 -5.01 118.95 117.52 2hve s ARG 58 Ca 0.49 -0.54 0.17 0.00 -1.72 0.00 0.00 55.73 54.13 2hve s ARG 58 Cb 0.33 -2.88 1.14 0.00 -0.45 0.00 0.00 34.95 33.09 2hve s ARG 58 CO 0.22 0.61 2.03 -1.00 -0.68 0.00 0.00 175.30 176.48 2hve h PRO 59 N 3.47 0.00 -0.01 3.54 0.13 -1.93 -2.64 132.00 134.57 2hve h PRO 59 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2hve h PRO 59 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2hve h PRO 59 CO 0.68 0.15 -0.21 1.97 -0.23 0.00 0.00 178.00 180.35 2hve n PHE 60 N -4.21 0.00 -0.04 1.56 1.16 -1.26 -4.52 117.46 110.14 2hve n PHE 60 Ca -0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.47 2hve n PHE 60 Cb 0.22 -0.15 -0.02 0.00 -1.61 0.00 0.00 39.48 37.92 2hve n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2hve h PHE 61 N 0.96 0.02 -0.64 2.97 3.57 -1.74 -0.46 116.94 121.62 2hve h PHE 61 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2hve h PHE 61 Cb 0.46 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2hve h PHE 61 CO 0.00 -0.01 0.20 0.00 -2.23 0.00 0.00 178.31 176.27 2hve h ALA 62 N 1.17 0.84 -0.31 2.41 0.00 -1.80 -1.96 119.26 119.60 2hve h ALA 62 Ca 0.09 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2hve h ALA 62 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2hve h ALA 62 CO -0.15 0.51 -0.50 0.78 0.00 0.00 0.00 179.25 179.89 2hve h GLY 63 N 0.92 0.97 0.32 0.00 0.00 -1.83 -1.84 103.07 101.61 2hve h GLY 63 Ca 0.21 -1.09 0.06 0.00 0.00 0.00 0.00 47.33 46.51 2hve h GLY 63 CO -0.01 0.98 -0.11 -2.00 0.00 0.00 0.00 176.54 175.41 2hve h LEU 64 N 0.69 -0.37 0.14 3.11 5.85 -0.96 0.45 115.31 124.22 2hve h LEU 64 Ca 0.03 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2hve h LEU 64 Cb 1.10 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2hve h LEU 64 CO 0.11 -0.14 -0.10 0.58 -0.34 0.00 0.00 178.44 178.56 2hve h VAL 65 N -0.04 0.79 -0.03 1.05 2.07 -1.32 0.75 116.25 119.51 2hve h VAL 65 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 2hve h VAL 65 Cb 0.28 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2hve h VAL 65 CO -0.34 0.00 -0.03 0.50 0.02 0.00 0.00 177.57 177.72 2hve h LYS 66 N -0.24 -0.04 -0.37 1.57 3.64 -1.07 -1.23 116.57 118.84 2hve h LYS 66 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2hve h LYS 66 Cb 0.21 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2hve h LYS 66 CO -0.00 -0.02 0.13 -0.92 -2.27 0.00 0.00 179.45 176.36 2hve h TYR 67 N -0.04 0.23 0.00 1.91 5.03 0.02 -1.43 116.97 122.70 2hve h TYR 67 Ca 0.02 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2hve h TYR 67 Cb 0.07 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2hve h TYR 67 CO -0.12 0.10 0.00 0.52 -1.32 0.00 0.00 178.16 177.34 2hve h MET 68 N 0.29 0.00 -0.01 1.82 2.86 -0.66 -1.82 114.93 117.41 2hve h MET 68 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2hve h MET 68 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2hve h MET 68 CO -0.17 0.00 -0.55 1.58 1.06 0.00 0.00 176.91 178.83 2hve n HIS 69 N -3.02 0.00 1.55 -0.22 -0.00 -0.48 -4.47 115.22 108.58 2hve n HIS 69 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.85 2hve n HIS 69 Cb 0.15 -0.09 0.63 0.00 -0.00 0.00 0.00 29.99 30.68 2hve n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2hve n SER 70 N -0.88 0.75 -3.43 0.26 3.41 -0.68 -4.87 113.62 108.18 2hve n SER 70 Ca 0.08 -1.00 -0.04 0.00 -0.26 0.00 0.00 58.87 57.66 2hve n SER 70 Cb 0.37 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 2hve n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2hve s GLY 71 N -2.22 0.04 0.60 5.00 0.00 -1.26 -5.11 107.32 104.37 2hve s GLY 71 Ca 0.36 -0.24 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 2hve s GLY 71 CO 0.41 1.54 1.02 2.56 0.00 0.00 0.00 173.10 178.63 2hve s PRO 72 N -2.47 3.62 0.16 2.90 0.04 -1.26 -4.64 135.00 133.35 2hve s PRO 72 Ca 0.19 0.84 0.08 0.00 0.04 0.00 0.00 61.00 62.15 2hve s PRO 72 Cb -0.02 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2hve s PRO 72 CO 0.05 -0.55 -0.17 0.14 0.04 0.00 0.00 177.00 176.51 2hve s VAL 73 N -2.99 1.73 -0.37 -0.36 -7.23 0.51 -3.80 120.40 107.89 2hve s VAL 73 Ca 0.57 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.71 2hve s VAL 73 Cb -0.11 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.04 2hve s VAL 73 CO 0.47 -0.36 0.23 -0.69 -0.31 0.00 0.00 175.10 174.44 2hve s VAL 74 N -2.14 4.81 -0.11 1.32 1.01 -0.83 -1.96 120.40 122.51 2hve s VAL 74 Ca 0.15 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2hve s VAL 74 Cb -0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2hve s VAL 74 CO 0.06 -0.20 0.50 0.00 0.00 0.00 0.00 175.10 175.45 2hve s ALA 75 N 1.61 3.47 0.08 5.51 0.00 0.91 -0.27 121.76 133.07 2hve s ALA 75 Ca 0.03 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2hve s ALA 75 Cb -0.19 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2hve s ALA 75 CO 0.08 0.01 -0.10 -1.64 0.00 0.00 0.00 175.76 174.11 2hve s MET 76 N 0.57 0.79 -0.06 0.00 -1.94 0.60 -0.15 119.30 119.10 2hve s MET 76 Ca 0.27 -1.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.23 2hve s MET 76 Cb -0.15 -0.52 -0.00 0.00 2.01 0.00 0.00 34.83 36.16 2hve s MET 76 CO 0.11 0.09 -0.20 0.08 -0.01 0.00 0.00 175.02 175.09 2hve s VAL 77 N -2.13 1.67 0.04 -6.03 1.01 0.51 -1.64 120.40 113.83 2hve s VAL 77 Ca 0.02 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2hve s VAL 77 Cb -0.05 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2hve s VAL 77 CO 0.00 0.47 -0.13 0.26 0.00 0.00 0.00 175.10 175.70 2hve s TRP 78 N 0.09 1.17 0.09 5.22 0.52 -0.73 -0.36 118.94 124.94 2hve s TRP 78 Ca -0.07 -0.35 0.10 0.00 0.02 0.00 0.00 56.10 55.80 2hve s TRP 78 Cb -0.14 -0.70 -0.03 0.00 -1.15 0.00 0.00 33.47 31.45 2hve s TRP 78 CO 0.04 0.02 -0.26 -2.00 0.02 0.00 0.00 176.95 174.77 2hve s GLU 79 N -1.09 1.60 0.00 4.98 2.12 -0.28 -0.11 118.70 125.92 2hve s GLU 79 Ca 0.01 -1.23 0.00 0.00 0.36 0.00 0.00 54.97 54.11 2hve s GLU 79 Cb -0.08 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.37 2hve s GLU 79 CO 0.01 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 2hve n GLY 80 N 1.30 1.80 3.69 -1.50 0.00 0.45 -1.75 105.19 109.20 2hve n GLY 80 Ca -0.17 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 2hve n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hve n LEU 81 N 0.00 3.99 -3.09 0.99 7.94 -1.26 -2.05 117.00 123.52 2hve n LEU 81 Ca 0.00 1.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.73 2hve n LEU 81 Cb 0.00 -1.54 -0.01 0.00 0.53 0.00 0.00 43.42 42.39 2hve n LEU 81 CO 0.00 0.16 -0.07 0.59 -1.11 0.00 0.00 177.39 176.96 2hve n ASN 82 N 5.30 -2.69 0.05 1.96 3.02 -1.26 -4.84 115.26 116.80 2hve n ASN 82 Ca 0.18 -0.13 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 2hve n ASN 82 Cb 0.36 -2.31 0.48 0.00 -0.61 0.00 0.00 39.78 37.71 2hve n ASN 82 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2hve h VAL 83 N -0.49 1.06 0.04 2.41 3.04 -1.72 -0.17 116.25 120.43 2hve h VAL 83 Ca -0.30 -0.15 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2hve h VAL 83 Cb 1.20 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2hve h VAL 83 CO 0.39 0.08 -0.02 0.58 -1.01 0.00 0.00 177.57 177.59 2hve h VAL 84 N 0.42 1.00 0.02 1.51 2.07 -1.85 0.85 116.25 120.27 2hve h VAL 84 Ca 0.13 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 2hve h VAL 84 Cb 0.02 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2hve h VAL 84 CO -0.03 0.03 -0.53 0.11 0.02 0.00 0.00 177.57 177.17 2hve h LYS 85 N -0.10 0.33 -0.02 1.57 1.57 -1.73 -2.73 116.57 115.45 2hve h LYS 85 Ca -0.01 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 58.26 2hve h LYS 85 Cb 0.09 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2hve h LYS 85 CO 0.01 1.08 -0.62 1.79 -0.57 0.00 0.00 179.45 181.14 2hve h THR 86 N -0.26 1.43 -0.90 -0.16 1.35 -1.16 -2.32 112.91 110.89 2hve h THR 86 Ca -0.07 -2.09 0.06 0.00 -0.55 0.00 0.00 66.41 63.76 2hve h THR 86 Cb 1.28 2.11 -0.06 0.00 -1.73 0.00 0.00 68.15 69.75 2hve h THR 86 CO 0.10 0.60 0.57 1.23 -0.25 0.00 0.00 175.52 177.77 2hve h GLY 87 N 1.75 1.35 1.41 5.82 0.00 -0.88 -1.04 103.07 111.48 2hve h GLY 87 Ca -0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2hve h GLY 87 CO 0.08 0.30 -0.21 3.21 0.00 0.00 0.00 176.54 179.92 2hve h ARG 88 N 1.05 0.69 -0.63 4.80 3.08 -1.19 -2.39 114.38 119.79 2hve h ARG 88 Ca 0.39 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2hve h ARG 88 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2hve h ARG 88 CO -0.16 0.85 0.25 0.28 -1.07 0.00 0.00 179.97 180.11 2hve h VAL 89 N 0.61 1.23 -0.95 2.04 2.07 -1.05 -2.62 116.25 117.58 2hve h VAL 89 Ca 0.09 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2hve h VAL 89 Cb 0.69 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2hve h VAL 89 CO 0.05 0.29 0.61 0.24 0.02 0.00 0.00 177.57 178.78 2hve h MET 90 N 0.88 1.27 -0.42 1.57 2.86 -1.07 -2.98 114.93 117.04 2hve h MET 90 Ca 0.21 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2hve h MET 90 Cb 0.21 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2hve h MET 90 CO -0.02 0.86 -0.13 -0.07 1.06 0.00 0.00 176.91 178.62 2hve h LEU 91 N 1.30 0.76 0.00 1.22 4.07 -1.28 -0.68 115.31 120.71 2hve h LEU 91 Ca 0.35 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2hve h LEU 91 Cb -0.11 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.43 2hve h LEU 91 CO -0.07 0.91 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 2hve n GLY 92 N -0.41 0.17 3.99 0.83 0.00 -1.00 -1.32 105.19 107.44 2hve n GLY 92 Ca 0.01 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 2hve n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hve s GLU 93 N 0.00 3.12 0.25 1.61 0.41 -1.26 -4.65 118.70 118.18 2hve s GLU 93 Ca 0.00 -1.01 -0.04 0.00 -0.41 0.00 0.00 54.97 53.51 2hve s GLU 93 Cb 0.00 -2.81 0.47 0.00 -1.78 0.00 0.00 34.13 30.01 2hve s GLU 93 CO 0.00 0.08 1.74 1.15 -0.49 0.00 0.00 175.26 177.73 2hve h THR 94 N 0.91 0.68 -3.54 3.63 2.02 -1.96 -3.37 112.91 111.27 2hve h THR 94 Ca -0.46 -0.17 -0.62 0.00 0.77 0.00 0.00 66.41 65.94 2hve h THR 94 Cb 1.26 0.15 -0.12 0.00 -1.74 0.00 0.00 68.15 67.69 2hve h THR 94 CO 0.53 0.09 0.07 0.21 0.37 0.00 0.00 175.52 176.79 2hve s ASN 95 N -5.36 6.48 0.29 4.18 3.84 -1.26 -4.78 114.94 118.33 2hve s ASN 95 Ca -0.12 0.54 0.02 0.00 0.21 0.00 0.00 52.86 53.51 2hve s ASN 95 Cb 0.21 -2.31 0.61 0.00 -0.55 0.00 0.00 41.25 39.21 2hve s ASN 95 CO 0.77 -0.35 1.81 -0.65 -2.79 0.00 0.00 177.10 175.88 2hve h PRO 96 N 8.02 0.84 -0.99 0.43 0.11 -1.76 0.11 132.00 138.76 2hve h PRO 96 Ca -0.28 -0.05 0.21 0.00 0.11 0.00 0.00 66.00 65.99 2hve h PRO 96 Cb 1.13 -0.19 -0.10 0.00 0.11 0.00 0.00 31.00 31.95 2hve h PRO 96 CO 0.75 0.56 0.62 0.00 -0.21 0.00 0.00 178.00 179.72 2hve h ALA 97 N 1.57 1.92 0.00 -0.75 0.00 -1.86 0.66 119.26 120.80 2hve h ALA 97 Ca 0.52 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2hve h ALA 97 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2hve h ALA 97 CO -0.32 -0.29 -0.23 -0.25 0.00 0.00 0.00 179.25 178.16 2hve n ASP 98 N -4.68 0.60 -4.77 0.00 10.43 0.31 -4.88 116.55 113.55 2hve n ASP 98 Ca 0.23 0.34 -0.38 0.00 2.57 0.00 0.00 54.79 57.55 2hve n ASP 98 Cb 0.68 -0.35 -0.06 0.00 1.84 0.00 0.00 41.12 43.22 2hve n ASP 98 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2hve s SER 99 N -3.99 7.41 0.22 -2.24 0.01 0.22 -4.70 113.70 110.63 2hve s SER 99 Ca 0.10 1.78 -0.15 0.00 1.31 0.00 0.00 55.95 58.99 2hve s SER 99 Cb 0.14 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 2hve s SER 99 CO 0.63 0.07 0.63 -0.54 0.41 0.00 0.00 173.24 174.44 2hve s LYS 100 N -1.60 4.00 0.40 12.44 -0.14 -1.26 -4.48 119.74 129.10 2hve s LYS 100 Ca 0.44 0.56 -0.24 0.00 -1.36 0.00 0.00 55.97 55.37 2hve s LYS 100 Cb -0.21 -2.75 -0.11 0.00 -1.68 0.00 0.00 37.83 33.07 2hve s LYS 100 CO 0.26 0.35 0.90 -2.30 -0.76 0.00 0.00 175.35 173.81 2hve n PRO 101 N 0.32 1.15 0.00 -1.68 -0.02 -1.26 -1.47 135.00 132.04 2hve n PRO 101 Ca -0.01 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2hve n PRO 101 Cb 0.52 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2hve n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hve n GLY 102 N 1.33 3.06 3.87 -1.23 0.00 -1.26 -4.96 105.19 106.00 2hve n GLY 102 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2hve n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hve s THR 103 N -2.84 4.72 0.12 2.61 -4.23 -0.54 -4.93 115.64 110.56 2hve s THR 103 Ca 0.00 0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 61.07 2hve s THR 103 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2hve s THR 103 CO 0.00 -0.74 1.72 0.40 -0.54 0.00 0.00 174.62 175.46 2hve h ILE 104 N 0.63 0.87 -0.08 2.99 2.04 -1.18 -0.39 117.51 122.39 2hve h ILE 104 Ca -0.46 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.19 2hve h ILE 104 Cb 1.19 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2hve h ILE 104 CO 0.62 0.01 -0.73 0.03 0.00 0.00 0.00 178.15 178.09 2hve h ARG 105 N 0.05 0.42 -0.80 2.37 3.08 -1.46 -1.41 114.38 116.63 2hve h ARG 105 Ca 0.08 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 2hve h ARG 105 Cb 0.11 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2hve h ARG 105 CO -0.15 0.98 0.46 0.78 -1.07 0.00 0.00 179.97 180.97 2hve h GLY 106 N 1.26 1.17 1.64 0.04 0.00 -1.68 -2.54 103.07 102.96 2hve h GLY 106 Ca -0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 47.33 46.55 2hve h GLY 106 CO 0.13 0.49 -1.11 -0.55 0.00 0.00 0.00 176.54 175.49 2hve h ASP 107 N 1.10 0.42 -0.00 0.19 3.32 -1.08 -3.42 116.42 116.94 2hve h ASP 107 Ca 0.28 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2hve h ASP 107 Cb -0.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2hve h ASP 107 CO -0.05 1.27 -0.01 0.49 -1.72 0.00 0.00 179.24 179.21 2hve n PHE 108 N -3.60 0.00 -3.84 4.55 3.72 -0.54 -5.06 117.46 112.70 2hve n PHE 108 Ca -0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 2hve n PHE 108 Cb 0.94 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.46 2hve n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hve n ILE 110 N -0.45 0.00 -4.46 0.00 5.41 -1.26 -4.67 119.36 113.94 2hve n ILE 110 Ca -0.05 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.37 2hve n ILE 110 Cb 0.60 -1.31 -0.10 0.00 -0.71 0.00 0.00 39.64 38.11 2hve n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2hve s GLN 111 N -1.99 2.72 0.37 0.38 0.74 -1.26 -3.85 119.66 116.77 2hve s GLN 111 Ca 0.00 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 54.86 2hve s GLN 111 Cb 0.00 -2.60 0.74 0.00 1.10 0.00 0.00 33.01 32.25 2hve s GLN 111 CO 0.00 0.64 2.00 -0.24 -0.55 0.00 0.00 175.29 177.13 2hve h VAL 112 N 3.90 1.08 -0.00 1.34 3.04 -1.96 0.00 116.25 123.65 2hve h VAL 112 Ca -0.49 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2hve h VAL 112 Cb 1.17 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2hve h VAL 112 CO 0.54 0.14 -0.02 0.61 -1.01 0.00 0.00 177.57 177.83 2hve n GLY 113 N -1.45 -1.00 2.28 3.17 0.00 -1.26 -3.61 105.19 103.31 2hve n GLY 113 Ca 0.08 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 2hve n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hve n ARG 114 N -0.99 1.22 -0.98 1.61 5.12 -0.03 -4.96 116.66 117.64 2hve n ARG 114 Ca 0.19 -3.54 -0.01 0.00 -1.93 0.00 0.00 57.85 52.56 2hve n ARG 114 Cb 0.20 -1.76 0.34 0.00 -1.16 0.00 0.00 32.46 30.08 2hve n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2hve n ASN 115 N 0.22 5.20 0.00 0.55 6.94 -1.08 -4.26 115.26 122.83 2hve n ASN 115 Ca 0.25 -3.11 0.00 0.00 -0.02 0.00 0.00 54.58 51.71 2hve n ASN 115 Cb 0.63 -0.73 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2hve n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2hve n ILE 116 N 0.15 0.00 -3.66 1.53 -5.35 -1.26 -4.79 119.36 105.98 2hve n ILE 116 Ca 0.36 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.69 2hve n ILE 116 Cb 1.32 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.15 2hve n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2hve s ILE 117 N -0.24 0.03 0.07 7.28 2.07 -1.26 -0.98 121.20 128.17 2hve s ILE 117 Ca 0.00 -0.22 0.09 0.00 -1.41 0.00 0.00 60.65 59.12 2hve s ILE 117 Cb 0.00 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 2hve s ILE 117 CO 0.00 -0.12 -0.25 -2.28 -1.91 0.00 0.00 174.94 170.38 2hve s HIS 118 N -0.99 2.21 0.01 3.50 5.65 0.76 -4.89 115.29 121.54 2hve s HIS 118 Ca -0.10 -0.40 0.01 0.00 0.25 0.00 0.00 55.06 54.81 2hve s HIS 118 Cb -0.03 -1.28 -0.01 0.00 -1.18 0.00 0.00 32.58 30.08 2hve s HIS 118 CO 0.06 0.19 -0.02 0.20 -0.65 0.00 0.00 174.74 174.52 2hve s GLY 119 N -1.53 0.15 0.20 1.59 0.00 -1.26 -1.43 107.32 105.04 2hve s GLY 119 Ca 0.11 -0.24 -0.33 0.00 0.00 0.00 0.00 44.72 44.27 2hve s GLY 119 CO 0.03 -0.25 1.53 0.61 0.00 0.00 0.00 173.10 175.03 2hve n GLY 120 N 2.61 1.04 0.08 0.20 0.00 -0.57 -4.90 105.19 103.64 2hve n GLY 120 Ca -0.16 0.58 0.13 0.00 0.00 0.00 0.00 46.02 46.57 2hve n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hve n ASP 121 N 2.91 0.60 -3.71 1.61 3.85 -1.26 -4.80 116.55 115.75 2hve n ASP 121 Ca 0.14 -0.39 -0.09 0.00 -0.71 0.00 0.00 54.79 53.74 2hve n ASP 121 Cb 0.31 0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.17 2hve n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2hve s SER 122 N -2.81 -0.32 0.36 -1.12 1.04 -1.26 -4.99 113.70 104.59 2hve s SER 122 Ca 0.17 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.26 2hve s SER 122 Cb 0.18 0.62 0.80 0.00 0.10 0.00 0.00 66.02 67.72 2hve s SER 122 CO 0.61 -1.10 1.89 0.58 0.98 0.00 0.00 173.24 176.20 2hve h VAL 123 N 2.12 0.88 0.16 5.02 2.07 -1.92 0.13 116.25 124.71 2hve h VAL 123 Ca -0.28 -0.24 -0.22 0.00 0.82 0.00 0.00 66.70 66.78 2hve h VAL 123 Cb 1.27 0.11 0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2hve h VAL 123 CO 0.34 0.13 -0.97 -0.08 0.02 0.00 0.00 177.57 177.01 2hve h GLU 124 N 0.70 0.34 -0.74 1.57 4.81 -1.97 -2.69 114.58 116.60 2hve h GLU 124 Ca 0.42 -0.58 0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2hve h GLU 124 Cb 0.62 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 2hve h GLU 124 CO -0.18 1.28 0.43 0.77 -0.73 0.00 0.00 179.01 180.58 2hve h SER 125 N -0.28 0.65 -0.28 1.04 0.02 -1.91 -2.10 113.55 110.69 2hve h SER 125 Ca -0.17 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.64 2hve h SER 125 Cb 1.74 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2hve h SER 125 CO 0.17 0.41 -0.49 0.00 -1.14 0.00 0.00 176.83 175.78 2hve h ALA 126 N 1.38 0.43 -0.51 3.77 0.00 -0.78 0.15 119.26 123.71 2hve h ALA 126 Ca 0.33 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2hve h ALA 126 Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2hve h ALA 126 CO -0.19 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 180.48 2hve h GLU 127 N 0.58 0.97 -0.76 0.00 4.39 -1.48 0.19 114.58 118.48 2hve h GLU 127 Ca 0.02 -0.37 0.07 0.00 0.34 0.00 0.00 59.36 59.42 2hve h GLU 127 Cb 1.10 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.63 2hve h GLU 127 CO 0.11 1.04 0.44 -0.22 -1.16 0.00 0.00 179.01 179.21 2hve h LYS 128 N 0.83 0.76 -0.30 2.33 3.64 -1.18 -0.59 116.57 122.05 2hve h LYS 128 Ca 0.13 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 2hve h LYS 128 Cb 0.67 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2hve h LYS 128 CO 0.05 0.50 -0.33 0.93 -2.27 0.00 0.00 179.45 178.33 2hve h GLU 129 N 0.78 0.66 -0.18 1.90 5.08 -0.29 -2.43 114.58 120.10 2hve h GLU 129 Ca 0.34 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2hve h GLU 129 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2hve h GLU 129 CO -0.20 0.90 0.04 0.82 -1.00 0.00 0.00 179.01 179.58 2hve h ILE 130 N 0.56 1.21 0.00 3.13 2.04 -0.16 -2.13 117.51 122.15 2hve h ILE 130 Ca 0.06 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2hve h ILE 130 Cb 0.84 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2hve h ILE 130 CO 0.07 0.20 -0.08 1.23 0.00 0.00 0.00 178.15 179.57 2hve h GLY 131 N 0.10 0.00 1.41 5.37 0.00 -1.08 -1.47 103.07 107.41 2hve h GLY 131 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.09 2hve h GLY 131 CO 0.00 0.00 -1.28 -2.00 0.00 0.00 0.00 176.54 173.26 2hve h LEU 132 N 0.00 0.68 0.00 3.11 5.85 -1.23 -3.37 115.31 120.35 2hve h LEU 132 Ca -0.00 -0.68 -0.06 0.00 0.84 0.00 0.00 57.88 57.98 2hve h LEU 132 Cb 0.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2hve h LEU 132 CO 0.01 1.51 -1.57 0.79 -0.34 0.00 0.00 178.44 178.84 2hve n TRP 133 N -3.68 0.51 -4.28 1.25 7.02 -0.82 -4.97 117.44 112.48 2hve n TRP 133 Ca -0.12 0.16 -0.19 0.00 -1.02 0.00 0.00 57.50 56.32 2hve n TRP 133 Cb 1.02 -0.81 -0.11 0.00 -2.42 0.00 0.00 31.31 28.99 2hve n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2hve s PHE 134 N -3.28 1.57 0.06 -5.99 0.08 -0.57 -5.10 117.98 104.75 2hve s PHE 134 Ca -0.05 -0.52 -0.09 0.00 0.12 0.00 0.00 56.93 56.39 2hve s PHE 134 Cb 0.11 -0.80 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 2hve s PHE 134 CO 0.84 0.22 0.37 -1.01 -0.10 0.00 0.00 175.22 175.54 2hve s HIS 135 N -2.14 3.58 0.57 0.36 3.76 -1.26 -4.50 115.29 115.66 2hve s HIS 135 Ca 0.12 0.74 0.29 0.00 -0.15 0.00 0.00 55.06 56.06 2hve s HIS 135 Cb -0.05 -2.12 1.47 0.00 1.11 0.00 0.00 32.58 32.99 2hve s HIS 135 CO 0.04 0.54 1.90 -1.35 -0.85 0.00 0.00 174.74 175.03 2hve h PRO 136 N 3.80 0.00 0.00 8.40 0.11 -1.94 0.13 132.00 142.50 2hve h PRO 136 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2hve h PRO 136 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2hve h PRO 136 CO 0.66 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.31 2hve h GLU 137 N 0.00 0.00 0.00 1.05 3.07 -2.04 -2.59 114.58 114.07 2hve h GLU 137 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2hve h GLU 137 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2hve h GLU 137 CO -0.00 0.07 0.00 0.93 -1.40 0.00 0.00 179.01 178.61 2hve h GLU 138 N 0.00 0.00 -6.13 2.33 5.08 -1.14 -3.44 114.58 111.28 2hve h GLU 138 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2hve h GLU 138 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2hve h GLU 138 CO 0.01 0.00 0.21 -0.51 -1.00 0.00 0.00 179.01 177.72 2hve s LEU 139 N -5.41 4.31 -0.19 1.33 1.43 -0.98 -4.75 118.68 114.42 2hve s LEU 139 Ca 0.06 1.32 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2hve s LEU 139 Cb 0.09 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2hve s LEU 139 CO 0.58 -0.20 0.08 -0.69 0.23 0.00 0.00 176.35 176.34 2hve s VAL 140 N 1.05 4.88 -0.22 -1.59 1.01 0.16 -5.01 120.40 120.68 2hve s VAL 140 Ca 0.42 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 2hve s VAL 140 Cb -0.18 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2hve s VAL 140 CO 0.20 0.45 0.11 -0.62 0.00 0.00 0.00 175.10 175.24 2hve s ASP 141 N 0.43 5.85 0.28 3.32 -1.08 -1.26 -4.69 116.67 119.52 2hve s ASP 141 Ca 0.04 0.08 -0.21 0.00 -0.52 0.00 0.00 52.55 51.94 2hve s ASP 141 Cb -0.12 -2.04 0.02 0.00 -1.46 0.00 0.00 42.92 39.32 2hve s ASP 141 CO 0.00 0.10 0.72 -0.72 0.52 0.00 0.00 175.17 175.79 2hve s TYR 142 N 0.81 -0.16 -0.13 -5.34 1.13 -1.26 -5.16 117.35 107.23 2hve s TYR 142 Ca 0.06 -0.30 -0.00 0.00 -1.41 0.00 0.00 57.07 55.41 2hve s TYR 142 Cb -0.13 0.70 -0.01 0.00 -1.10 0.00 0.00 41.96 41.42 2hve s TYR 142 CO 0.02 -1.25 -0.14 0.99 -2.51 0.00 0.00 175.55 172.67 2hve s THR 143 N -3.86 2.97 0.24 -3.49 2.01 -1.26 -5.09 115.64 107.16 2hve s THR 143 Ca 0.12 -0.69 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 2hve s THR 143 Cb -0.06 -2.25 -0.11 0.00 0.01 0.00 0.00 72.50 70.09 2hve s THR 143 CO 0.07 0.52 1.64 -0.55 -0.69 0.00 0.00 174.62 175.62 2hve s SER 144 N 0.44 6.41 0.38 3.53 0.15 -1.26 -4.88 113.70 118.47 2hve s SER 144 Ca -0.10 2.87 0.27 0.00 0.70 0.00 0.00 55.95 59.69 2hve s SER 144 Cb -0.16 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 62.91 2hve s SER 144 CO 0.05 -0.92 1.81 0.00 1.20 0.00 0.00 173.24 175.38 2hve n ALA 146 N -1.85 2.27 -0.26 0.00 0.00 -1.26 -4.73 120.51 114.67 2hve n ALA 146 Ca -0.01 -1.03 0.08 0.00 0.00 0.00 0.00 53.44 52.49 2hve n ALA 146 Cb 0.09 -0.48 0.33 0.00 0.00 0.00 0.00 19.45 19.39 2hve n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2hve h GLN 147 N 2.34 0.79 0.00 0.00 4.15 -1.81 0.39 115.11 120.97 2hve h GLN 147 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2hve h GLN 147 Cb 0.71 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2hve h GLN 147 CO 0.00 0.52 -0.09 -0.91 -1.93 0.00 0.00 178.83 176.42 2hve h ASN 148 N 0.81 0.00 0.62 -0.69 -0.26 -1.84 -1.46 115.58 112.76 2hve h ASN 148 Ca 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 2hve h ASN 148 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 2hve h ASN 148 CO -0.17 0.09 -0.63 0.79 -1.06 0.00 0.00 177.43 176.45 2hve n TRP 149 N -3.99 0.25 -0.09 1.19 7.02 0.08 -4.09 117.44 117.79 2hve n TRP 149 Ca -0.02 0.07 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 2hve n TRP 149 Cb 0.18 -0.43 -0.16 0.00 -2.42 0.00 0.00 31.31 28.49 2hve n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2hve n ILE 150 N -1.80 1.42 -4.69 -0.99 5.41 -0.89 -4.95 119.36 112.87 2hve n ILE 150 Ca 0.04 -0.84 -0.23 0.00 1.00 0.00 0.00 62.75 62.72 2hve n ILE 150 Cb 0.39 -0.57 -0.15 0.00 -0.71 0.00 0.00 39.64 38.60 2hve n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2hve s TYR 151 N -2.50 1.40 -2.03 1.39 2.02 -0.58 -5.05 117.35 112.00 2hve s TYR 151 Ca -0.11 -0.28 0.32 0.00 -0.37 0.00 0.00 57.07 56.63 2hve s TYR 151 Cb 0.06 -0.89 1.87 0.00 -0.40 0.00 0.00 41.96 42.60 2hve s TYR 151 CO 0.82 -0.01 2.21 -0.85 -1.57 0.00 0.00 175.55 176.14