#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 -1.28 0.00 2.85 -1.26 -4.62 115.26 110.95 2hve n ASN 3 Ca 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.58 2hve n ASN 3 Cb 0.00 0.00 0.30 0.00 1.24 0.00 0.00 39.78 41.32 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 1.46 1.35 -4.43 0.00 2.13 -1.26 -4.65 120.64 115.24 2hve n GLU 5 Ca 0.23 0.48 -0.22 0.00 0.66 0.00 0.00 57.16 58.31 2hve n GLU 5 Cb 0.59 -2.02 -0.10 0.00 0.27 0.00 0.00 31.44 30.19 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 -1.96 1.56 0.03 5.31 0.52 -1.26 -0.33 118.95 122.82 2hve s ARG 6 Ca 0.63 -1.72 -0.05 0.00 -0.52 0.00 0.00 55.73 54.06 2hve s ARG 6 Cb -0.57 -1.50 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 2hve s ARG 6 CO 0.57 0.25 0.08 -0.08 0.02 0.00 0.00 175.30 176.14 2hve s THR 7 N -2.71 0.13 -0.20 0.02 -1.32 -0.61 -4.54 115.64 106.40 2hve s THR 7 Ca 0.28 -1.05 -0.14 0.00 -1.21 0.00 0.00 61.69 59.57 2hve s THR 7 Cb -0.02 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.13 2hve s THR 7 CO 0.12 -0.58 0.29 0.12 -2.21 0.00 0.00 174.62 172.36 2hve s PHE 8 N -2.39 3.38 -0.07 9.09 5.36 -1.26 -2.15 117.98 129.95 2hve s PHE 8 Ca -0.07 0.49 0.04 0.00 -0.96 0.00 0.00 56.93 56.43 2hve s PHE 8 Cb -0.03 -2.39 -0.00 0.00 -0.34 0.00 0.00 43.02 40.26 2hve s PHE 8 CO -0.04 0.09 -0.20 0.42 -1.46 0.00 0.00 175.22 174.04 2hve s ILE 9 N 0.98 1.68 -0.10 3.12 -1.09 0.06 -1.54 121.20 124.31 2hve s ILE 9 Ca 0.15 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 2hve s ILE 9 Cb -0.14 -1.46 0.01 0.00 -1.58 0.00 0.00 42.46 39.30 2hve s ILE 9 CO 0.05 0.48 -0.18 0.00 -1.23 0.00 0.00 174.94 174.06 2hve s ALA 10 N 0.22 1.79 -0.62 9.38 0.00 0.11 -1.11 121.76 131.52 2hve s ALA 10 Ca -0.11 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.86 2hve s ALA 10 Cb -0.15 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.27 2hve s ALA 10 CO 0.05 0.12 0.95 0.42 0.00 0.00 0.00 175.76 177.30 2hve s ILE 11 N 0.64 4.35 0.93 0.00 1.01 -0.58 0.14 121.20 127.69 2hve s ILE 11 Ca -0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 2hve s ILE 11 Cb -0.16 -4.63 0.08 0.00 0.01 0.00 0.00 42.46 37.76 2hve s ILE 11 CO 0.04 -1.33 0.75 0.29 0.00 0.00 0.00 174.94 174.69 2hve n LYS 12 N 7.60 -0.33 0.12 2.79 5.02 -0.64 -2.10 118.16 130.62 2hve n LYS 12 Ca -0.02 -0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.34 2hve n LYS 12 Cb 0.46 -2.10 0.48 0.00 -0.02 0.00 0.00 35.03 33.85 2hve n LYS 12 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2hve n PRO 13 N -2.82 0.17 -0.13 1.97 -0.04 -1.25 -1.15 135.00 131.75 2hve n PRO 13 Ca 0.09 0.43 -0.11 0.00 -0.04 0.00 0.00 63.50 63.88 2hve n PRO 13 Cb 0.53 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 2hve n PRO 13 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2hve h ASP 14 N 0.00 0.69 -0.94 3.54 2.03 -1.88 -2.09 116.42 117.77 2hve h ASP 14 Ca 0.00 -0.32 0.11 0.00 -0.73 0.00 0.00 57.03 56.08 2hve h ASP 14 Cb 0.30 -0.19 -0.08 0.00 -0.83 0.00 0.00 39.33 38.54 2hve h ASP 14 CO 0.00 0.85 0.57 1.23 -1.03 0.00 0.00 179.24 180.86 2hve h GLY 15 N 0.52 1.50 0.91 7.15 0.00 -1.30 0.40 103.07 112.25 2hve h GLY 15 Ca 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 2hve h GLY 15 CO 0.02 0.16 -0.35 -2.08 0.00 0.00 0.00 176.54 174.30 2hve h VAL 16 N 0.94 1.33 -0.55 4.60 2.07 -1.56 0.33 116.25 123.41 2hve h VAL 16 Ca 0.46 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2hve h VAL 16 Cb 0.41 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2hve h VAL 16 CO -0.25 0.48 0.19 1.56 0.02 0.00 0.00 177.57 179.57 2hve h GLN 17 N 0.27 0.85 -0.66 1.57 1.08 -0.72 -2.82 115.11 114.66 2hve h GLN 17 Ca 0.01 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2hve h GLN 17 Cb 0.94 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2hve h GLN 17 CO 0.08 0.76 0.00 0.54 -0.95 0.00 0.00 178.83 179.26 2hve n ARG 18 N -4.47 2.47 -2.90 1.46 1.74 0.13 -4.92 116.66 110.17 2hve n ARG 18 Ca 0.03 -1.37 -0.17 0.00 -0.77 0.00 0.00 57.85 55.57 2hve n ARG 18 Cb 0.19 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 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 0.52 -0.20 1.42 -0.13 0.00 -1.01 -4.93 105.19 100.86 2hve n GLY 19 Ca 0.12 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.20 4.65 0.02 0.99 4.77 0.08 -4.71 117.00 119.60 2hve n LEU 20 Ca -0.07 -2.65 -0.07 0.00 -0.03 0.00 0.00 56.01 53.19 2hve n LEU 20 Cb 0.58 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2hve n LEU 20 CO 0.37 0.73 0.23 0.58 -1.33 0.00 0.00 177.39 177.98 2hve h VAL 21 N 3.38 0.57 -0.66 4.08 2.07 -1.91 -1.30 116.25 122.48 2hve h VAL 21 Ca 0.00 -1.19 0.13 0.00 0.82 0.00 0.00 66.70 66.47 2hve h VAL 21 Cb 1.52 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 32.20 2hve h VAL 21 CO 0.27 0.17 0.12 1.23 0.02 0.00 0.00 177.57 179.38 2hve h GLY 22 N -0.98 0.84 1.12 2.17 0.00 -1.97 -0.83 103.07 103.43 2hve h GLY 22 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 2hve h GLY 22 CO 0.03 -0.17 0.18 -2.09 0.00 0.00 0.00 176.54 174.49 2hve h GLU 23 N 0.23 1.09 -0.43 4.80 4.57 -1.86 -0.77 114.58 122.22 2hve h GLU 23 Ca 0.36 -0.25 -0.14 0.00 -1.18 0.00 0.00 59.36 58.14 2hve h GLU 23 Cb 0.57 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2hve h GLU 23 CO -0.47 0.96 -0.30 0.82 -1.18 0.00 0.00 179.01 178.84 2hve h ILE 24 N 1.04 1.27 -0.37 2.32 2.04 -0.57 -2.98 117.51 120.27 2hve h ILE 24 Ca 0.22 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 2hve h ILE 24 Cb 0.35 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2hve h ILE 24 CO -0.00 0.50 0.08 0.40 0.00 0.00 0.00 178.15 179.12 2hve h ILE 25 N 0.79 1.23 -0.84 -0.67 2.04 -1.02 -3.08 117.51 115.96 2hve h ILE 25 Ca 0.08 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.26 2hve h ILE 25 Cb 0.88 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 2hve h ILE 25 CO 0.08 0.27 0.46 0.50 0.00 0.00 0.00 178.15 179.46 2hve h LYS 26 N 0.45 0.68 0.00 2.37 3.64 -1.14 -0.09 116.57 122.49 2hve h LYS 26 Ca 0.11 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2hve h LYS 26 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2hve h LYS 26 CO 0.00 0.45 -0.22 0.00 -2.27 0.00 0.00 179.45 177.41 2hve h ARG 27 N 0.70 0.00 0.18 1.90 3.08 -1.43 -0.43 114.38 118.38 2hve h ARG 27 Ca 0.43 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.21 2hve h ARG 27 Cb 0.52 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.59 2hve h ARG 27 CO -0.31 0.22 -1.28 0.74 -1.07 0.00 0.00 179.97 178.27 2hve h PHE 28 N 0.00 0.67 0.29 3.04 -1.00 -1.22 -3.19 116.94 115.54 2hve h PHE 28 Ca -0.00 -0.49 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2hve h PHE 28 Cb 0.47 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 2hve h PHE 28 CO 0.00 1.49 -0.41 0.93 -1.61 0.00 0.00 178.31 178.71 2hve h GLU 29 N -0.14 -0.74 0.00 1.51 5.08 -0.93 -2.87 114.58 116.49 2hve h GLU 29 Ca -0.24 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2hve h GLU 29 Cb 1.89 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 2hve h GLU 29 CO 0.17 -0.49 -0.12 -0.56 -1.00 0.00 0.00 179.01 177.01 2hve h GLN 30 N -0.77 0.00 0.00 2.33 3.07 -1.24 -1.18 115.11 117.33 2hve h GLN 30 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.65 2hve h GLN 30 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2hve h GLN 30 CO -0.14 0.12 -0.36 -0.22 0.09 0.00 0.00 178.83 178.32 2hve h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.52 -3.47 116.57 113.26 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 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2hve h LYS 31 CO 0.02 0.36 0.00 0.41 -3.45 0.00 0.00 179.45 176.79 2hve n GLY 32 N -0.48 1.15 3.76 5.01 0.00 -0.44 -5.11 105.19 109.07 2hve n GLY 32 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 2.51 -0.16 1.61 0.08 -1.09 -5.00 117.98 113.92 2hve s PHE 33 Ca 0.00 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.53 2hve s PHE 33 Cb 0.00 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 2hve s PHE 33 CO 0.00 -1.88 0.09 0.50 -0.10 0.00 0.00 175.22 173.83 2hve s ARG 34 N -3.76 3.81 -0.11 0.44 3.52 -0.38 -4.48 118.95 117.98 2hve s ARG 34 Ca 0.71 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.75 2hve s ARG 34 Cb -0.24 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2hve s ARG 34 CO 0.37 0.45 1.34 -1.17 -0.81 0.00 0.00 175.30 175.48 2hve s LEU 35 N -0.10 4.23 -0.22 -0.88 0.20 -1.26 -0.67 118.68 119.98 2hve s LEU 35 Ca 0.08 1.85 -0.15 0.00 0.69 0.00 0.00 54.13 56.60 2hve s LEU 35 Cb -0.12 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.01 2hve s LEU 35 CO 0.01 -0.77 -0.34 0.52 -0.29 0.00 0.00 176.35 175.48 2hve n VAL 36 N 5.23 1.47 -4.00 1.68 0.31 -0.47 -4.93 118.33 117.61 2hve n VAL 36 Ca 0.14 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2hve n VAL 36 Cb 0.44 -2.07 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 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 -5.20 0.28 -0.20 2.92 0.00 -1.14 -0.96 107.32 103.02 2hve s GLY 37 Ca -0.33 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 2hve s GLY 37 CO 0.44 -0.59 0.38 -2.27 0.00 0.00 0.00 173.10 171.07 2hve s LEU 38 N -1.22 -0.59 -0.00 0.66 2.96 -1.26 -0.17 118.68 119.06 2hve s LEU 38 Ca -0.11 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 2hve s LEU 38 Cb -0.08 1.19 -0.00 0.00 0.50 0.00 0.00 46.19 47.79 2hve s LEU 38 CO -0.00 -0.25 -0.06 -0.75 -1.32 0.00 0.00 176.35 173.96 2hve s LYS 39 N 2.57 0.49 -0.45 1.98 2.47 0.22 -4.97 119.74 122.04 2hve s LYS 39 Ca 0.03 -0.21 -0.11 0.00 -1.56 0.00 0.00 55.97 54.11 2hve s LYS 39 Cb -0.13 -0.47 0.09 0.00 -1.46 0.00 0.00 37.83 35.86 2hve s LYS 39 CO -0.13 0.13 0.32 0.12 0.16 0.00 0.00 175.35 175.95 2hve s PHE 40 N -0.13 3.33 -0.02 4.03 5.36 -1.26 0.19 117.98 129.48 2hve s PHE 40 Ca 0.02 -1.44 0.01 0.00 -0.96 0.00 0.00 56.93 54.56 2hve s PHE 40 Cb -0.02 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.50 2hve s PHE 40 CO -0.00 -0.88 -0.03 0.00 -1.46 0.00 0.00 175.22 172.85 2hve s MET 41 N 1.47 0.42 -0.45 10.12 0.23 -0.07 -4.95 119.30 126.07 2hve s MET 41 Ca 0.04 -0.10 -0.28 0.00 -1.03 0.00 0.00 55.69 54.32 2hve s MET 41 Cb -0.24 -0.46 -0.00 0.00 -1.53 0.00 0.00 34.83 32.60 2hve s MET 41 CO 0.03 0.01 1.57 -1.14 -2.03 0.00 0.00 175.02 173.46 2hve s GLN 42 N 0.32 3.32 0.37 3.16 2.00 -1.26 -0.66 119.66 126.91 2hve s GLN 42 Ca -0.03 0.91 -0.11 0.00 -2.00 0.00 0.00 55.36 54.13 2hve s GLN 42 Cb -0.07 -4.14 -0.07 0.00 0.80 0.00 0.00 33.01 29.53 2hve s GLN 42 CO -0.00 -1.88 0.74 0.00 -0.50 0.00 0.00 175.29 173.65 2hve s ALA 43 N 6.44 3.36 0.40 1.58 0.00 -1.26 -5.00 121.76 127.27 2hve s ALA 43 Ca 0.65 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2hve s ALA 43 Cb -0.15 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2hve s ALA 43 CO 0.30 0.12 0.60 -1.54 0.00 0.00 0.00 175.76 175.24 2hve s SER 44 N -2.88 6.04 0.19 0.00 1.04 -1.26 -4.74 113.70 112.10 2hve s SER 44 Ca 0.52 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 57.20 2hve s SER 44 Cb -0.10 -1.72 0.11 0.00 0.10 0.00 0.00 66.02 64.40 2hve s SER 44 CO 0.27 -0.51 1.57 -0.33 0.98 0.00 0.00 173.24 175.22 2hve h GLU 45 N 0.59 0.81 0.11 4.02 5.08 -1.97 -1.47 114.58 121.75 2hve h GLU 45 Ca -0.48 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.51 2hve h GLU 45 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2hve h GLU 45 CO 0.59 1.00 -0.05 -0.44 -1.00 0.00 0.00 179.01 179.11 2hve h ASP 46 N 0.69 -0.12 -0.35 1.42 5.19 -1.99 -0.35 116.42 120.91 2hve h ASP 46 Ca 0.08 -0.18 0.08 0.00 -0.62 0.00 0.00 57.03 56.39 2hve h ASP 46 Cb 0.84 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.30 2hve h ASP 46 CO 0.07 0.10 -0.19 0.25 -3.12 0.00 0.00 179.24 176.35 2hve h LEU 47 N -0.35 -0.65 -0.77 1.55 5.85 -1.96 -2.03 115.31 116.95 2hve h LEU 47 Ca -0.01 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2hve h LEU 47 Cb 0.29 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2hve h LEU 47 CO 0.02 -0.23 0.09 -0.07 -0.34 0.00 0.00 178.44 177.92 2hve h LEU 48 N -0.14 0.98 -0.53 2.25 3.38 -1.18 -1.83 115.31 118.24 2hve h LEU 48 Ca 0.18 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2hve h LEU 48 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2hve h LEU 48 CO -0.44 0.98 0.08 0.11 0.09 0.00 0.00 178.44 179.26 2hve h LYS 49 N 0.96 0.88 -0.27 1.13 1.57 -0.76 0.18 116.57 120.26 2hve h LYS 49 Ca 0.19 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2hve h LYS 49 Cb 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2hve h LYS 49 CO 0.01 0.87 0.08 1.49 -0.57 0.00 0.00 179.45 181.33 2hve h GLU 50 N 0.77 0.43 -0.41 3.15 4.57 -1.31 -0.31 114.58 121.46 2hve h GLU 50 Ca 0.16 -0.10 0.07 0.00 -1.18 0.00 0.00 59.36 58.31 2hve h GLU 50 Cb 0.42 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.89 2hve h GLU 50 CO 0.01 0.50 0.06 1.25 -1.18 0.00 0.00 179.01 179.65 2hve h HIS 51 N 0.28 0.08 -0.88 0.92 2.76 -1.13 -3.01 115.15 114.16 2hve h HIS 51 Ca 0.09 0.03 -0.40 0.00 -2.20 0.00 0.00 60.37 57.88 2hve h HIS 51 Cb 0.26 0.03 -0.24 0.00 1.55 0.00 0.00 27.41 29.00 2hve h HIS 51 CO 0.01 -0.02 0.50 0.66 -1.30 0.00 0.00 177.93 177.77 2hve n TYR 52 N -5.13 2.78 -0.35 5.26 4.01 0.62 -4.64 117.16 119.71 2hve n TYR 52 Ca 0.03 -1.63 -0.02 0.00 -0.16 0.00 0.00 57.90 56.13 2hve n TYR 52 Cb 0.20 -0.84 0.13 0.00 -0.31 0.00 0.00 39.34 38.52 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 1.54 1.25 0.00 -0.72 3.04 -0.91 -2.22 116.25 118.24 2hve h VAL 53 Ca 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 2hve h VAL 53 Cb 2.65 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 2hve h VAL 53 CO 0.96 0.24 0.00 0.47 -1.01 0.00 0.00 177.57 178.23 2hve n ASP 54 N -4.38 0.00 -0.52 3.17 10.43 -1.26 -1.25 116.55 122.74 2hve n ASP 54 Ca 0.11 0.37 0.06 0.00 2.57 0.00 0.00 54.79 57.90 2hve n ASP 54 Cb 0.02 -0.41 0.15 0.00 1.84 0.00 0.00 41.12 42.73 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 -1.41 2.95 -0.19 0.64 4.77 -0.84 -4.66 117.00 118.26 2hve n LEU 55 Ca 0.02 -2.44 0.18 0.00 -0.03 0.00 0.00 56.01 53.74 2hve n LEU 55 Cb 0.06 -0.30 0.52 0.00 -2.33 0.00 0.00 43.42 41.37 2hve n LEU 55 CO 0.05 0.67 1.22 0.07 -1.33 0.00 0.00 177.39 178.07 2hve h LYS 56 N 1.31 0.37 0.00 3.23 5.09 -1.21 -0.68 116.57 124.67 2hve h LYS 56 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2hve h LYS 56 Cb 0.93 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.18 2hve h LYS 56 CO 0.07 0.25 0.00 -0.40 -2.09 0.00 0.00 179.45 177.27 2hve n ASP 57 N -4.48 0.00 -4.75 7.07 3.85 -1.26 -4.85 116.55 112.12 2hve n ASP 57 Ca 0.16 -0.57 -0.36 0.00 -0.71 0.00 0.00 54.79 53.31 2hve n ASP 57 Cb 0.62 -0.03 -0.08 0.00 -1.35 0.00 0.00 41.12 40.28 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 -2.06 3.23 0.55 0.11 1.81 -0.26 -5.01 118.95 117.31 2hve s ARG 58 Ca 0.29 -0.30 0.25 0.00 -1.72 0.00 0.00 55.73 54.25 2hve s ARG 58 Cb 0.14 -2.97 1.46 0.00 -0.45 0.00 0.00 34.95 33.12 2hve s ARG 58 CO 0.24 0.70 2.06 -1.35 -0.68 0.00 0.00 175.30 176.27 2hve h PRO 59 N 5.22 0.00 0.00 3.54 0.11 -1.89 -2.30 132.00 136.69 2hve h PRO 59 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hve h PRO 59 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hve h PRO 59 CO 0.57 0.00 -0.35 0.27 -0.21 0.00 0.00 178.00 178.28 2hve h PHE 60 N 0.00 0.00 -0.74 0.65 -5.15 -1.95 -3.40 116.94 106.35 2hve h PHE 60 Ca 0.15 0.00 0.12 0.00 -0.20 0.00 0.00 57.97 58.04 2hve h PHE 60 Cb 0.65 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 36.69 2hve h PHE 60 CO 0.00 0.00 -0.36 0.35 -2.00 0.00 0.00 178.31 176.30 2hve h PHE 61 N 0.00 -1.02 0.09 6.09 3.57 -1.66 0.90 116.94 124.91 2hve h PHE 61 Ca 0.00 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2hve h PHE 61 Cb 0.78 0.55 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 2hve h PHE 61 CO 0.00 -0.39 -0.14 0.00 -2.23 0.00 0.00 178.31 175.55 2hve h ALA 62 N 1.10 -0.24 -0.28 2.41 0.00 -1.81 -1.01 119.26 119.44 2hve h ALA 62 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2hve h ALA 62 Cb 0.57 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2hve h ALA 62 CO -0.79 -0.66 0.18 0.78 0.00 0.00 0.00 179.25 178.75 2hve h GLY 63 N -0.28 0.38 -0.32 0.00 0.00 -1.63 -1.68 103.07 99.55 2hve h GLY 63 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.29 2hve h GLY 63 CO -0.08 0.13 -0.42 -2.00 0.00 0.00 0.00 176.54 174.17 2hve h LEU 64 N 0.36 -1.42 -1.36 3.11 5.85 -0.61 0.44 115.31 121.69 2hve h LEU 64 Ca 0.10 0.22 0.03 0.00 0.84 0.00 0.00 57.88 59.07 2hve h LEU 64 Cb -0.03 0.63 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2hve h LEU 64 CO -0.03 -0.36 0.45 0.58 -0.34 0.00 0.00 178.44 178.74 2hve h VAL 65 N -0.31 1.11 -0.00 1.05 2.07 -0.95 0.47 116.25 119.70 2hve h VAL 65 Ca 0.15 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2hve h VAL 65 Cb 0.58 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2hve h VAL 65 CO -0.59 0.15 -0.00 0.50 0.02 0.00 0.00 177.57 177.65 2hve h LYS 66 N 0.84 0.01 -0.70 1.57 3.64 -0.33 0.33 116.57 121.93 2hve h LYS 66 Ca 0.27 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2hve h LYS 66 Cb 0.03 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2hve h LYS 66 CO -0.07 0.42 0.42 -0.92 -2.27 0.00 0.00 179.45 177.03 2hve h TYR 67 N -0.40 0.79 0.00 1.91 -0.00 0.24 -0.79 116.97 118.71 2hve h TYR 67 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.74 2hve h TYR 67 Cb 0.42 -0.25 -0.00 0.00 -0.00 0.00 0.00 36.73 36.89 2hve h TYR 67 CO 0.07 0.42 -0.05 0.52 -0.00 0.00 0.00 178.16 179.11 2hve h MET 68 N 0.80 0.00 0.00 1.82 2.86 0.04 -2.99 114.93 117.46 2hve h MET 68 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2hve h MET 68 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2hve h MET 68 CO -0.14 0.05 -1.20 1.58 1.06 0.00 0.00 176.91 178.27 2hve n HIS 69 N -3.21 0.25 1.49 -0.22 -0.00 0.10 -4.55 115.22 109.08 2hve n HIS 69 Ca -0.00 0.07 0.12 0.00 -0.00 0.00 0.00 57.72 57.91 2hve n HIS 69 Cb 0.29 -0.45 0.72 0.00 -0.00 0.00 0.00 29.99 30.54 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 -2.03 0.00 -3.61 0.26 3.41 -0.38 -4.82 113.62 106.44 2hve n SER 70 Ca 0.01 -0.66 -0.02 0.00 -0.26 0.00 0.00 58.87 57.94 2hve n SER 70 Cb 0.46 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.09 -0.17 0.55 5.00 0.00 -1.26 -5.10 107.32 104.25 2hve s GLY 71 Ca 0.35 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.97 2hve s GLY 71 CO 0.30 1.12 1.28 -4.14 0.00 0.00 0.00 173.10 171.66 2hve s PRO 72 N -2.67 3.17 0.38 2.90 0.02 -1.26 -4.57 135.00 132.97 2hve s PRO 72 Ca 0.17 2.04 0.08 0.00 0.02 0.00 0.00 61.00 63.31 2hve s PRO 72 Cb -0.00 -2.18 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 2hve s PRO 72 CO 0.02 -1.11 -0.01 0.14 -0.33 0.00 0.00 177.00 175.70 2hve s VAL 73 N -1.42 2.15 -0.25 3.83 -7.23 0.17 -3.85 120.40 113.79 2hve s VAL 73 Ca 0.72 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2hve s VAL 73 Cb -0.36 -2.87 0.04 0.00 0.56 0.00 0.00 36.38 33.75 2hve s VAL 73 CO 0.41 -0.08 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.35 2hve s VAL 74 N -2.66 2.60 -0.14 1.32 1.01 -0.89 -0.89 120.40 120.76 2hve s VAL 74 Ca 0.35 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 2hve s VAL 74 Cb 0.06 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2hve s VAL 74 CO 0.18 0.12 0.39 0.00 0.00 0.00 0.00 175.10 175.79 2hve s ALA 75 N 1.25 3.53 0.00 5.51 0.00 0.51 -1.52 121.76 131.04 2hve s ALA 75 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2hve s ALA 75 Cb -0.18 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 2hve s ALA 75 CO -0.05 0.05 -0.01 -1.64 0.00 0.00 0.00 175.76 174.11 2hve s MET 76 N 0.52 0.08 -0.06 0.00 -1.94 -0.27 0.71 119.30 118.34 2hve s MET 76 Ca 0.21 -0.12 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 2hve s MET 76 Cb -0.14 -0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.67 2hve s MET 76 CO 0.07 -0.00 -0.21 0.08 -0.01 0.00 0.00 175.02 174.95 2hve s VAL 77 N -0.25 2.42 -0.02 -6.03 1.01 0.76 -0.76 120.40 117.53 2hve s VAL 77 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2hve s VAL 77 Cb -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2hve s VAL 77 CO -0.00 0.57 -0.09 0.26 0.00 0.00 0.00 175.10 175.84 2hve s TRP 78 N -0.28 0.90 -0.05 5.22 0.52 -0.91 -1.37 118.94 122.97 2hve s TRP 78 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.92 2hve s TRP 78 Cb -0.13 -0.63 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 2hve s TRP 78 CO 0.03 -0.08 -0.03 -2.00 0.02 0.00 0.00 176.95 174.89 2hve s GLU 79 N 0.09 2.81 0.00 4.98 2.12 0.15 -1.57 118.70 127.28 2hve s GLU 79 Ca -0.01 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.78 2hve s GLU 79 Cb -0.07 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.65 2hve s GLU 79 CO 0.00 0.66 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2hve n GLY 80 N 1.93 1.88 3.68 -1.50 0.00 0.55 -1.25 105.19 110.47 2hve n GLY 80 Ca -0.17 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2hve n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hve s LEU 81 N 0.00 4.37 -1.41 0.99 2.96 -1.25 -2.33 118.68 122.01 2hve s LEU 81 Ca 0.00 2.46 -0.04 0.00 -0.22 0.00 0.00 54.13 56.34 2hve s LEU 81 Cb 0.00 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2hve s LEU 81 CO 0.00 -0.94 0.30 0.59 -1.32 0.00 0.00 176.35 174.98 2hve n ASN 82 N 6.42 -4.94 -0.01 3.68 3.02 -1.26 -4.91 115.26 117.25 2hve n ASN 82 Ca 0.17 -0.13 -0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2hve n ASN 82 Cb 0.41 -4.08 0.23 0.00 -0.61 0.00 0.00 39.78 35.73 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 -0.65 1.23 0.63 2.41 3.04 -1.77 0.75 116.25 121.90 2hve h VAL 83 Ca -0.44 -1.04 -0.03 0.00 -1.01 0.00 0.00 66.70 64.18 2hve h VAL 83 Cb 1.31 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2hve h VAL 83 CO 0.50 0.34 -0.32 0.58 -1.01 0.00 0.00 177.57 177.67 2hve h VAL 84 N 0.50 0.35 0.33 1.51 2.07 -1.86 -1.79 116.25 117.37 2hve h VAL 84 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2hve h VAL 84 Cb 0.50 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2hve h VAL 84 CO 0.03 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 177.96 2hve h LYS 85 N -0.87 -0.42 -0.23 1.57 3.11 -1.79 -2.88 116.57 115.06 2hve h LYS 85 Ca -0.08 0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.62 2hve h LYS 85 Cb 0.67 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2hve h LYS 85 CO 0.13 -0.14 -0.50 1.79 -2.81 0.00 0.00 179.45 177.92 2hve h THR 86 N -0.69 1.30 -0.63 1.00 1.35 -0.97 -1.94 112.91 112.33 2hve h THR 86 Ca -0.04 -1.72 0.16 0.00 -0.55 0.00 0.00 66.41 64.26 2hve h THR 86 Cb 0.48 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 2hve h THR 86 CO 0.07 0.54 0.44 1.23 -0.25 0.00 0.00 175.52 177.56 2hve h GLY 87 N 0.97 0.24 1.90 5.82 0.00 -1.38 0.06 103.07 110.67 2hve h GLY 87 Ca 0.02 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 2hve h GLY 87 CO 0.10 0.02 -0.83 3.21 0.00 0.00 0.00 176.54 179.04 2hve h ARG 88 N 0.14 0.09 -0.28 4.80 3.08 -1.12 -2.25 114.38 118.84 2hve h ARG 88 Ca 0.30 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2hve h ARG 88 Cb 1.01 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2hve h ARG 88 CO -0.04 0.86 -0.03 0.28 -1.07 0.00 0.00 179.97 179.97 2hve h VAL 89 N 0.05 1.27 -0.14 2.04 2.07 -0.94 -2.37 116.25 118.23 2hve h VAL 89 Ca -0.02 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.52 2hve h VAL 89 Cb 1.45 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2hve h VAL 89 CO 0.12 0.32 0.10 0.24 0.02 0.00 0.00 177.57 178.37 2hve h MET 90 N 0.29 0.05 0.00 1.57 2.86 -0.98 -1.52 114.93 117.21 2hve h MET 90 Ca 0.08 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 2hve h MET 90 Cb 0.49 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2hve h MET 90 CO 0.02 0.04 -0.90 -0.07 1.06 0.00 0.00 176.91 177.06 2hve h LEU 91 N 0.05 0.32 0.00 1.22 4.07 -1.28 -0.72 115.31 118.97 2hve h LEU 91 Ca 0.06 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2hve h LEU 91 Cb 0.19 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2hve h LEU 91 CO -0.01 1.06 0.00 0.61 -1.08 0.00 0.00 178.44 179.03 2hve n GLY 92 N 0.90 -1.86 3.79 0.83 0.00 -0.57 -2.18 105.19 106.10 2hve n GLY 92 Ca -0.04 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 2.90 0.21 1.61 0.41 -1.26 -4.75 118.70 117.82 2hve s GLU 93 Ca 0.00 1.25 -0.11 0.00 -0.41 0.00 0.00 54.97 55.70 2hve s GLU 93 Cb 0.00 -1.97 0.28 0.00 -1.78 0.00 0.00 34.13 30.66 2hve s GLU 93 CO 0.00 -1.15 1.67 1.15 -0.49 0.00 0.00 175.26 176.44 2hve h THR 94 N -0.09 0.51 -3.48 3.63 2.02 -1.95 -3.37 112.91 110.19 2hve h THR 94 Ca -0.46 -0.04 -0.60 0.00 0.77 0.00 0.00 66.41 66.08 2hve h THR 94 Cb 1.23 0.38 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 2hve h THR 94 CO 0.55 0.02 0.53 0.21 0.37 0.00 0.00 175.52 177.20 2hve s ASN 95 N -5.24 6.65 0.51 4.18 2.47 -1.26 -4.78 114.94 117.47 2hve s ASN 95 Ca -0.13 0.55 0.31 0.00 0.42 0.00 0.00 52.86 54.00 2hve s ASN 95 Cb 0.18 -2.44 1.43 0.00 -1.45 0.00 0.00 41.25 38.98 2hve s ASN 95 CO 0.74 -0.79 1.85 -0.65 -3.72 0.00 0.00 177.10 174.52 2hve h PRO 96 N 8.41 0.07 0.00 0.43 0.11 -1.78 0.60 132.00 139.85 2hve h PRO 96 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2hve h PRO 96 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2hve h PRO 96 CO 0.95 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 2hve n ALA 97 N -2.69 1.75 0.52 -0.75 0.00 -1.25 -2.21 120.51 115.89 2hve n ALA 97 Ca 0.22 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.66 2hve n ALA 97 Cb 1.03 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 2hve n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hve n ASP 98 N -1.56 0.61 -4.70 0.00 9.92 0.18 -4.99 116.55 116.00 2hve n ASP 98 Ca 0.04 -0.74 -0.42 0.00 -0.53 0.00 0.00 54.79 53.13 2hve n ASP 98 Cb 0.20 1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.67 2hve n ASP 98 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2hve s SER 99 N -2.13 7.07 0.57 -2.24 0.01 -0.94 -4.62 113.70 111.41 2hve s SER 99 Ca 0.04 1.91 -0.18 0.00 1.31 0.00 0.00 55.95 59.03 2hve s SER 99 Cb 0.09 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2hve s SER 99 CO 0.47 -0.52 1.10 -0.54 0.41 0.00 0.00 173.24 174.16 2hve s LYS 100 N 1.65 3.30 0.24 12.44 -0.14 -1.26 -4.33 119.74 131.64 2hve s LYS 100 Ca 0.57 1.46 -0.30 0.00 -1.36 0.00 0.00 55.97 56.34 2hve s LYS 100 Cb -0.27 -2.01 -0.11 0.00 -1.68 0.00 0.00 37.83 33.76 2hve s LYS 100 CO 0.26 -0.87 1.54 -2.14 -0.76 0.00 0.00 175.35 173.38 2hve s PRO 101 N -3.57 4.19 0.00 -1.68 0.02 -1.26 -2.60 135.00 130.10 2hve s PRO 101 Ca 0.69 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.15 2hve s PRO 101 Cb -0.21 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2hve s PRO 101 CO 0.30 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 2hve n GLY 102 N 2.64 1.34 3.88 0.52 0.00 -1.26 -5.01 105.19 107.31 2hve n GLY 102 Ca 0.09 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.75 3.28 0.07 2.61 -4.23 -1.07 -4.92 115.64 110.63 2hve s THR 103 Ca 0.00 0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 60.70 2hve s THR 103 Cb 0.00 -3.41 -0.14 0.00 1.34 0.00 0.00 72.50 70.30 2hve s THR 103 CO 0.00 -0.54 1.62 0.40 -0.54 0.00 0.00 174.62 175.56 2hve h ILE 104 N -0.72 1.12 -0.14 2.99 2.04 -1.20 -1.67 117.51 119.94 2hve h ILE 104 Ca -0.45 -0.36 -0.20 0.00 1.00 0.00 0.00 64.86 64.84 2hve h ILE 104 Cb 1.26 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2hve h ILE 104 CO 0.64 0.11 -0.73 0.03 0.00 0.00 0.00 178.15 178.19 2hve h ARG 105 N -0.03 0.67 -0.34 2.37 3.08 -1.70 -0.67 114.38 117.76 2hve h ARG 105 Ca 0.02 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2hve h ARG 105 Cb 0.14 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2hve h ARG 105 CO -0.00 1.14 0.15 0.78 -1.07 0.00 0.00 179.97 180.98 2hve h GLY 106 N 0.83 0.50 1.18 0.04 0.00 -1.70 -2.23 103.07 101.69 2hve h GLY 106 Ca -0.04 -0.22 -0.27 0.00 0.00 0.00 0.00 47.33 46.81 2hve h GLY 106 CO 0.14 0.21 -1.55 -0.55 0.00 0.00 0.00 176.54 174.80 2hve h ASP 107 N 0.48 0.00 0.00 0.19 3.32 -1.18 -3.43 116.42 115.80 2hve h ASP 107 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2hve h ASP 107 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2hve h ASP 107 CO -0.02 0.97 0.00 0.49 -1.72 0.00 0.00 179.24 178.96 2hve n PHE 108 N -3.09 0.00 -3.98 4.55 3.72 -0.27 -5.08 117.46 113.30 2hve n PHE 108 Ca -0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.16 2hve n PHE 108 Cb 1.01 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.49 0.00 -4.90 0.00 5.41 -1.26 -4.70 119.36 113.42 2hve n ILE 110 Ca -0.02 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.40 2hve n ILE 110 Cb 0.61 -0.83 -0.14 0.00 -0.71 0.00 0.00 39.64 38.57 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 -1.88 2.95 0.41 0.38 0.74 -1.26 -3.90 119.66 117.09 2hve s GLN 111 Ca 0.00 -0.72 0.24 0.00 0.05 0.00 0.00 55.36 54.93 2hve s GLN 111 Cb 0.00 -2.47 1.30 0.00 1.10 0.00 0.00 33.01 32.94 2hve s GLN 111 CO 0.00 0.38 1.66 -0.24 -0.55 0.00 0.00 175.29 176.54 2hve h VAL 112 N 4.98 0.22 -0.00 1.34 3.04 -1.94 0.31 116.25 124.20 2hve h VAL 112 Ca -0.34 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2hve h VAL 112 Cb 1.19 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2hve h VAL 112 CO 0.52 0.03 -0.08 0.61 -1.01 0.00 0.00 177.57 177.64 2hve n GLY 113 N -1.45 -1.00 2.29 3.17 0.00 -1.26 -3.85 105.19 103.08 2hve n GLY 113 Ca 0.34 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.01 1.26 -1.29 1.61 5.12 0.11 -4.97 116.66 117.49 2hve n ARG 114 Ca 0.15 -3.58 -0.29 0.00 -1.93 0.00 0.00 57.85 52.20 2hve n ARG 114 Cb 0.26 -1.72 0.13 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.40 5.72 0.00 0.55 6.94 -1.19 -4.41 115.26 123.27 2hve n ASN 115 Ca 0.25 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 51.10 2hve n ASN 115 Cb 0.60 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 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 -1.02 0.00 -3.64 1.53 -5.35 -1.26 -4.71 119.36 104.90 2hve n ILE 116 Ca 0.60 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.95 2hve n ILE 116 Cb 1.13 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.96 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 -0.03 -0.00 0.02 7.28 2.07 -1.26 -1.62 121.20 127.66 2hve s ILE 117 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 2hve s ILE 117 Cb 0.00 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 2hve s ILE 117 CO 0.00 0.00 -0.16 -2.28 -1.91 0.00 0.00 174.94 170.59 2hve s HIS 118 N 0.41 2.62 0.02 3.50 5.65 0.38 -4.89 115.29 122.99 2hve s HIS 118 Ca -0.00 -0.22 0.03 0.00 0.25 0.00 0.00 55.06 55.12 2hve s HIS 118 Cb -0.05 -1.52 -0.02 0.00 -1.18 0.00 0.00 32.58 29.82 2hve s HIS 118 CO 0.00 0.24 -0.08 0.20 -0.65 0.00 0.00 174.74 174.46 2hve s GLY 119 N -1.27 0.47 0.02 1.59 0.00 -1.26 0.04 107.32 106.90 2hve s GLY 119 Ca 0.14 -0.57 -0.32 0.00 0.00 0.00 0.00 44.72 43.98 2hve s GLY 119 CO 0.04 -0.57 1.92 0.61 0.00 0.00 0.00 173.10 175.10 2hve n GLY 120 N 2.14 1.70 0.24 0.20 0.00 -0.59 -4.88 105.19 103.99 2hve n GLY 120 Ca -0.18 0.81 0.16 0.00 0.00 0.00 0.00 46.02 46.81 2hve n GLY 120 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2hve h ASP 121 N 9.76 0.00 -5.07 1.61 2.03 -1.92 -3.45 116.42 119.38 2hve h ASP 121 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2hve h ASP 121 Cb 1.25 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.70 2hve h ASP 121 CO 0.94 0.00 0.16 -0.94 -1.03 0.00 0.00 179.24 178.38 2hve s SER 122 N -5.33 -0.09 0.04 4.15 1.04 -1.26 -4.96 113.70 107.29 2hve s SER 122 Ca 0.02 -0.86 -0.24 0.00 0.48 0.00 0.00 55.95 55.35 2hve s SER 122 Cb 0.09 0.74 -0.16 0.00 0.10 0.00 0.00 66.02 66.79 2hve s SER 122 CO 0.51 -1.41 1.52 0.58 0.98 0.00 0.00 173.24 175.42 2hve h VAL 123 N 2.05 1.19 -0.34 5.02 2.07 -1.91 0.18 116.25 124.51 2hve h VAL 123 Ca -0.24 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 66.77 2hve h VAL 123 Cb 1.25 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.44 2hve h VAL 123 CO 0.31 0.16 -0.36 -0.08 0.02 0.00 0.00 177.57 177.62 2hve h GLU 124 N -0.17 -0.30 -0.62 1.57 4.81 -1.97 0.07 114.58 117.97 2hve h GLU 124 Ca 0.01 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2hve h GLU 124 Cb 0.24 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2hve h GLU 124 CO 0.00 -0.20 0.37 0.77 -0.73 0.00 0.00 179.01 179.22 2hve h SER 125 N -0.31 0.75 -0.82 1.04 0.02 -1.93 -1.51 113.55 110.79 2hve h SER 125 Ca 0.15 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2hve h SER 125 Cb 0.56 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2hve h SER 125 CO -0.51 0.60 0.37 0.00 -1.14 0.00 0.00 176.83 176.14 2hve h ALA 126 N 1.19 1.10 0.07 3.77 0.00 -0.13 0.62 119.26 125.88 2hve h ALA 126 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hve h ALA 126 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2hve h ALA 126 CO -0.04 0.66 -0.04 0.93 0.00 0.00 0.00 179.25 180.77 2hve h GLU 127 N 1.18 -0.10 -0.59 0.00 4.39 -0.78 1.19 114.58 119.87 2hve h GLU 127 Ca 0.28 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.11 2hve h GLU 127 Cb 0.16 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.73 2hve h GLU 127 CO -0.03 0.25 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.80 2hve h LYS 128 N -0.45 0.07 -0.11 2.33 3.64 -1.11 -0.10 116.57 120.84 2hve h LYS 128 Ca -0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2hve h LYS 128 Cb 0.39 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2hve h LYS 128 CO 0.02 0.05 -0.04 0.93 -2.27 0.00 0.00 179.45 178.13 2hve h GLU 129 N 0.08 0.22 -0.10 1.90 5.08 0.50 -0.92 114.58 121.34 2hve h GLU 129 Ca 0.30 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2hve h GLU 129 Cb 0.48 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2hve h GLU 129 CO -0.54 0.55 -0.22 0.82 -1.00 0.00 0.00 179.01 178.62 2hve h ILE 130 N -0.12 0.46 -0.13 3.13 2.04 0.17 0.11 117.51 123.17 2hve h ILE 130 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 2hve h ILE 130 Cb 0.48 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2hve h ILE 130 CO 0.01 0.00 0.07 1.23 0.00 0.00 0.00 178.15 179.46 2hve h GLY 131 N -0.29 0.18 0.17 5.37 0.00 -1.03 1.09 103.07 108.55 2hve h GLY 131 Ca 0.09 -0.05 0.14 0.00 0.00 0.00 0.00 47.33 47.51 2hve h GLY 131 CO -0.27 0.05 0.31 -2.00 0.00 0.00 0.00 176.54 174.63 2hve h LEU 132 N 0.15 0.31 0.06 3.11 5.85 -0.90 -3.23 115.31 120.66 2hve h LEU 132 Ca 0.05 0.10 -0.34 0.00 0.84 0.00 0.00 57.88 58.54 2hve h LEU 132 Cb 0.00 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2hve h LEU 132 CO -0.03 0.12 -1.92 0.79 -0.34 0.00 0.00 178.44 177.06 2hve n TRP 133 N -4.98 1.02 -5.03 1.25 7.02 0.36 -4.93 117.44 112.14 2hve n TRP 133 Ca 0.14 0.28 -0.32 0.00 -1.02 0.00 0.00 57.50 56.58 2hve n TRP 133 Cb 0.41 -1.16 -0.14 0.00 -2.42 0.00 0.00 31.31 28.00 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 -2.57 2.58 0.41 -5.99 0.08 0.37 -5.08 117.98 107.78 2hve s PHE 134 Ca -0.15 -0.25 -0.22 0.00 0.12 0.00 0.00 56.93 56.43 2hve s PHE 134 Cb 0.07 -1.59 -0.10 0.00 -0.57 0.00 0.00 43.02 40.83 2hve s PHE 134 CO 0.79 0.12 0.96 -1.01 -0.10 0.00 0.00 175.22 175.97 2hve s HIS 135 N -0.69 3.36 0.56 0.36 3.76 -1.26 -4.29 115.29 117.09 2hve s HIS 135 Ca 0.11 1.64 0.26 0.00 -0.15 0.00 0.00 55.06 56.92 2hve s HIS 135 Cb -0.10 -2.90 1.53 0.00 1.11 0.00 0.00 32.58 32.22 2hve s HIS 135 CO -0.00 -0.13 2.08 -1.35 -0.85 0.00 0.00 174.74 174.49 2hve h PRO 136 N 2.16 0.00 -0.93 8.40 0.11 -1.95 -1.18 132.00 138.62 2hve h PRO 136 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hve h PRO 136 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2hve h PRO 136 CO 0.62 0.00 0.59 0.93 -0.21 0.00 0.00 178.00 179.93 2hve h GLU 137 N 0.00 1.23 0.00 1.05 5.08 -2.05 -3.15 114.58 116.75 2hve h GLU 137 Ca 0.11 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2hve h GLU 137 Cb 0.53 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2hve h GLU 137 CO -0.00 0.83 -0.36 0.93 -1.00 0.00 0.00 179.01 179.41 2hve h GLU 138 N 1.26 0.00 -6.40 2.33 5.08 -1.61 -3.44 114.58 111.82 2hve h GLU 138 Ca 0.34 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.15 2hve h GLU 138 Cb -0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2hve h GLU 138 CO -0.07 0.36 0.73 -0.51 -1.00 0.00 0.00 179.01 178.52 2hve s LEU 139 N -6.60 4.32 -0.08 1.33 1.43 -1.19 -4.73 118.68 113.16 2hve s LEU 139 Ca 0.03 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 2hve s LEU 139 Cb 0.08 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2hve s LEU 139 CO 0.70 -0.62 0.01 -0.69 0.23 0.00 0.00 176.35 175.98 2hve s VAL 140 N 1.93 4.41 -0.06 -1.59 1.01 -0.14 -5.01 120.40 120.96 2hve s VAL 140 Ca 0.61 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2hve s VAL 140 Cb -0.30 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2hve s VAL 140 CO 0.26 0.60 -0.23 -0.62 0.00 0.00 0.00 175.10 175.11 2hve s ASP 141 N -0.93 2.85 0.16 3.32 -1.08 -1.26 -4.59 116.67 115.13 2hve s ASP 141 Ca 0.14 -0.48 -0.24 0.00 -0.52 0.00 0.00 52.55 51.45 2hve s ASP 141 Cb -0.11 -0.87 0.07 0.00 -1.46 0.00 0.00 42.92 40.55 2hve s ASP 141 CO 0.03 0.21 1.00 -0.72 0.52 0.00 0.00 175.17 176.21 2hve s TYR 142 N -0.03 -0.05 -0.17 -5.34 1.13 -1.26 -5.16 117.35 106.47 2hve s TYR 142 Ca -0.06 -0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 55.28 2hve s TYR 142 Cb -0.14 0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 2hve s TYR 142 CO 0.04 -0.85 -0.05 0.99 -2.51 0.00 0.00 175.55 173.18 2hve s THR 143 N -2.83 3.66 0.21 -3.49 2.01 -1.26 -5.09 115.64 108.85 2hve s THR 143 Ca 0.16 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 2hve s THR 143 Cb -0.01 -2.61 -0.09 0.00 0.01 0.00 0.00 72.50 69.79 2hve s THR 143 CO 0.03 0.48 1.42 -0.55 -0.69 0.00 0.00 174.62 175.31 2hve s SER 144 N 0.61 6.72 0.15 3.53 0.15 -1.26 -4.90 113.70 118.70 2hve s SER 144 Ca -0.03 2.55 0.17 0.00 0.70 0.00 0.00 55.95 59.34 2hve s SER 144 Cb -0.15 -2.61 0.75 0.00 -1.71 0.00 0.00 66.02 62.31 2hve s SER 144 CO 0.03 -0.67 1.52 0.00 1.20 0.00 0.00 173.24 175.31 2hve n ALA 146 N -1.65 2.80 -0.32 0.00 0.00 -1.26 -4.78 120.51 115.30 2hve n ALA 146 Ca 0.02 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 52.93 2hve n ALA 146 Cb 0.15 -0.73 0.26 0.00 0.00 0.00 0.00 19.45 19.13 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 3.58 0.04 0.00 0.00 4.15 -1.70 0.42 115.11 121.60 2hve h GLN 147 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2hve h GLN 147 Cb 0.83 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2hve h GLN 147 CO 0.00 0.03 0.00 -0.91 -1.93 0.00 0.00 178.83 176.02 2hve h ASN 148 N 0.04 0.00 0.82 -0.69 2.35 -1.84 0.31 115.58 116.58 2hve h ASN 148 Ca 0.56 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.30 2hve h ASN 148 Cb 1.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 2hve h ASN 148 CO -0.85 0.00 -1.18 0.79 -1.65 0.00 0.00 177.43 174.53 2hve n TRP 149 N -2.68 0.82 0.08 1.19 7.02 0.14 -4.18 117.44 119.83 2hve n TRP 149 Ca 0.02 0.24 -0.20 0.00 -1.02 0.00 0.00 57.50 56.54 2hve n TRP 149 Cb 0.29 -0.90 -0.15 0.00 -2.42 0.00 0.00 31.31 28.13 2hve n TRP 149 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2hve h ILE 150 N 0.00 1.12 -3.67 -0.99 2.04 -0.74 -3.47 117.51 111.80 2hve h ILE 150 Ca -0.01 -2.70 -0.46 0.00 1.00 0.00 0.00 64.86 62.69 2hve h ILE 150 Cb 1.04 2.82 -0.32 0.00 -0.74 0.00 0.00 36.82 39.61 2hve h ILE 150 CO 0.00 0.83 -0.80 -0.31 0.00 0.00 0.00 178.15 177.88 2hve s TYR 151 N -2.60 1.10 -2.00 1.37 2.02 0.05 -5.02 117.35 112.26 2hve s TYR 151 Ca -0.11 -0.32 0.30 0.00 -0.37 0.00 0.00 57.07 56.57 2hve s TYR 151 Cb 0.06 -0.81 1.77 0.00 -0.40 0.00 0.00 41.96 42.58 2hve s TYR 151 CO 0.87 -0.16 2.10 -0.85 -1.57 0.00 0.00 175.55 175.94