#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvy n PRO 27 N 0.00 0.79 -1.69 0.52 -0.02 -1.26 -4.83 135.00 128.51 1hvy n PRO 27 Ca 0.00 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 1hvy n PRO 27 Cb 0.00 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1hvy n PRO 27 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1hvy n HIS 28 N 1.26 2.63 0.24 6.00 -0.00 -1.26 -4.85 115.22 119.24 1hvy n HIS 28 Ca 0.16 -0.18 0.17 0.00 0.46 0.00 0.00 57.72 58.33 1hvy n HIS 28 Cb 0.22 -2.74 0.89 0.00 -0.12 0.00 0.00 29.99 28.23 1hvy n HIS 28 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1hvy h GLY 29 N 8.81 0.00 2.00 1.57 0.00 -1.94 -1.52 103.07 111.99 1hvy h GLY 29 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1hvy h GLY 29 CO 0.95 0.00 -0.07 -2.09 0.00 0.00 0.00 176.54 175.33 1hvy h GLU 30 N 0.00 0.00 0.00 4.80 4.81 -1.97 -2.20 114.58 120.03 1hvy h GLU 30 Ca 0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1hvy h GLU 30 Cb 0.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1hvy h GLU 30 CO -0.00 0.07 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.27 1hvy h LEU 31 N 0.00 0.00 -0.05 1.64 3.38 -1.65 -1.86 115.31 116.78 1hvy h LEU 31 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1hvy h LEU 31 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hvy h LEU 31 CO 0.01 0.01 -0.03 1.56 0.09 0.00 0.00 178.44 180.08 1hvy h GLN 32 N 0.00 0.10 -0.37 1.13 4.20 -1.60 0.25 115.11 118.83 1hvy h GLN 32 Ca -0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1hvy h GLN 32 Cb 0.04 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1hvy h GLN 32 CO 0.00 0.51 0.20 -0.92 -0.67 0.00 0.00 178.83 177.95 1hvy h TYR 33 N -0.31 0.51 -0.37 2.96 5.03 -1.53 0.23 116.97 123.48 1hvy h TYR 33 Ca 0.01 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1hvy h TYR 33 Cb 0.48 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 1hvy h TYR 33 CO 0.08 0.40 0.06 -0.07 -1.32 0.00 0.00 178.16 177.31 1hvy h LEU 34 N 0.47 0.52 -0.87 2.82 3.38 -1.33 0.18 115.31 120.47 1hvy h LEU 34 Ca 0.13 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1hvy h LEU 34 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1hvy h LEU 34 CO -0.02 0.54 -0.37 1.23 0.09 0.00 0.00 178.44 179.91 1hvy h GLY 35 N 0.80 0.41 1.43 0.83 0.00 0.27 -1.43 103.07 105.38 1hvy h GLY 35 Ca 0.12 -0.38 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 1hvy h GLY 35 CO 0.00 0.35 -0.88 1.46 0.00 0.00 0.00 176.54 177.46 1hvy h GLN 36 N 0.32 0.54 -0.34 4.80 4.20 -0.25 -2.25 115.11 122.13 1hvy h GLN 36 Ca 0.03 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1hvy h GLN 36 Cb 0.80 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1hvy h GLN 36 CO 0.06 1.15 0.14 0.82 -0.67 0.00 0.00 178.83 180.33 1hvy h ILE 37 N 0.33 1.18 -0.61 2.54 1.08 -0.75 -2.09 117.51 119.19 1hvy h ILE 37 Ca -0.07 -0.56 -0.07 0.00 -0.39 0.00 0.00 64.86 63.77 1hvy h ILE 37 Cb 1.51 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 1hvy h ILE 37 CO 0.16 0.20 0.11 -0.61 -0.69 0.00 0.00 178.15 177.32 1hvy h GLN 38 N 0.40 1.01 -0.66 2.37 4.15 -1.28 -1.98 115.11 119.12 1hvy h GLN 38 Ca 0.11 -0.26 0.03 0.00 0.77 0.00 0.00 58.65 59.30 1hvy h GLN 38 Cb 0.18 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1hvy h GLN 38 CO -0.01 0.94 0.41 1.25 -1.93 0.00 0.00 178.83 179.49 1hvy h HIS 39 N 0.92 0.77 -0.44 3.99 2.76 -1.26 0.14 115.15 122.04 1hvy h HIS 39 Ca 0.19 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1hvy h HIS 39 Cb 0.41 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1hvy h HIS 39 CO 0.03 0.44 0.04 0.82 -1.30 0.00 0.00 177.93 177.96 1hvy h ILE 40 N 0.81 1.25 -0.55 6.26 2.04 -1.17 -2.90 117.51 123.25 1hvy h ILE 40 Ca 0.27 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1hvy h ILE 40 Cb 0.02 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1hvy h ILE 40 CO -0.11 0.33 0.17 -0.07 0.00 0.00 0.00 178.15 178.48 1hvy h LEU 41 N 0.60 0.80 0.00 1.44 3.38 -0.96 0.54 115.31 121.11 1hvy h LEU 41 Ca 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1hvy h LEU 41 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1hvy h LEU 41 CO 0.02 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.88 1hvy n ARG 42 N -4.45 0.91 -1.33 1.13 5.12 0.46 -5.04 116.66 113.46 1hvy n ARG 42 Ca 0.02 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.98 1hvy n ARG 42 Cb 0.20 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.98 1hvy n ARG 42 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hvy n GLY 44 N 0.92 -2.58 3.64 -0.13 0.00 0.19 -5.08 105.19 102.15 1hvy n GLY 44 Ca 0.22 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1hvy n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hvy s VAL 45 N -4.85 4.32 0.44 1.61 1.01 -0.23 -4.68 120.40 118.01 1hvy s VAL 45 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 1hvy s VAL 45 Cb 0.00 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 1hvy s VAL 45 CO 0.00 0.56 1.38 -1.14 0.00 0.00 0.00 175.10 175.90 1hvy n ARG 46 N 2.64 2.16 -3.36 2.72 0.00 -1.26 -0.67 116.66 118.89 1hvy n ARG 46 Ca -0.18 0.77 0.02 0.00 -0.00 0.00 0.00 57.85 58.46 1hvy n ARG 46 Cb 0.53 -2.55 -0.02 0.00 0.00 0.00 0.00 32.46 30.42 1hvy n ARG 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1hvy s LYS 47 N -2.35 0.55 1.06 -0.14 2.20 -0.38 -4.86 119.74 115.82 1hvy s LYS 47 Ca 0.61 1.15 -0.18 0.00 -0.36 0.00 0.00 55.97 57.18 1hvy s LYS 47 Cb -0.47 0.67 0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1hvy s LYS 47 CO 0.58 -0.41 -0.10 -0.25 -0.36 0.00 0.00 175.35 174.80 1hvy n ASP 48 N 5.42 -2.57 -3.90 1.43 10.43 -1.26 -2.76 116.55 123.35 1hvy n ASP 48 Ca -0.06 0.02 -0.10 0.00 2.57 0.00 0.00 54.79 57.22 1hvy n ASP 48 Cb 0.50 -0.96 -0.05 0.00 1.84 0.00 0.00 41.12 42.45 1hvy n ASP 48 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 1hvy s ASP 49 N -1.75 0.02 0.33 -2.24 -4.77 -1.26 -4.78 116.67 102.22 1hvy s ASP 49 Ca 0.53 -1.01 0.09 0.00 -3.30 0.00 0.00 52.55 48.86 1hvy s ASP 49 Cb -0.12 0.59 0.85 0.00 -1.09 0.00 0.00 42.92 43.15 1hvy s ASP 49 CO 0.67 -1.16 1.77 -0.09 0.70 0.00 0.00 175.17 177.07 1hvy h ARG 50 N 2.25 0.63 0.00 2.11 2.43 -2.02 -1.83 114.38 117.95 1hvy h ARG 50 Ca -0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1hvy h ARG 50 Cb 1.25 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1hvy h ARG 50 CO 0.37 0.42 0.00 1.79 -1.51 0.00 0.00 179.97 181.03 1hvy h THR 51 N 0.65 0.00 0.00 0.20 1.35 -1.97 -3.47 112.91 109.67 1hvy h THR 51 Ca 0.59 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1hvy h THR 51 Cb 1.07 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1hvy h THR 51 CO -0.37 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.51 1hvy n GLY 52 N 0.79 0.55 0.09 5.82 0.00 -0.69 -4.52 105.19 107.23 1hvy n GLY 52 Ca 0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1hvy n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hvy n THR 53 N -2.82 1.57 0.00 2.61 -1.04 -1.26 -4.97 114.28 108.36 1hvy n THR 53 Ca 0.00 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.22 1hvy n THR 53 Cb 0.00 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1hvy n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hvy n GLY 54 N 1.66 -1.03 3.31 3.41 0.00 -1.26 -4.47 105.19 106.82 1hvy n GLY 54 Ca -0.23 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 1hvy n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hvy s THR 55 N -2.76 0.03 -0.22 2.61 -4.23 -1.11 -1.92 115.64 108.05 1hvy s THR 55 Ca 0.00 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1hvy s THR 55 Cb 0.00 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1hvy s THR 55 CO 0.00 -0.16 0.01 -0.22 -0.54 0.00 0.00 174.62 173.71 1hvy s LEU 56 N -3.06 3.20 0.19 4.79 2.96 -0.31 -1.24 118.68 125.21 1hvy s LEU 56 Ca 0.27 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1hvy s LEU 56 Cb 0.04 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1hvy s LEU 56 CO 0.06 0.02 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.40 1hvy s SER 57 N 1.29 2.64 -0.02 3.68 0.15 0.15 -0.99 113.70 120.59 1hvy s SER 57 Ca 0.04 -0.95 -0.15 0.00 0.70 0.00 0.00 55.95 55.60 1hvy s SER 57 Cb -0.15 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1hvy s SER 57 CO 0.01 -0.10 0.31 -0.69 1.20 0.00 0.00 173.24 173.97 1hvy s VAL 58 N -2.53 0.05 -0.17 4.45 1.01 -0.15 -1.07 120.40 121.99 1hvy s VAL 58 Ca 0.19 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1hvy s VAL 58 Cb -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1hvy s VAL 58 CO 0.07 -0.24 -0.18 0.12 0.00 0.00 0.00 175.10 174.87 1hvy s PHE 59 N -1.23 2.77 0.00 5.22 2.19 -1.26 -0.71 117.98 124.96 1hvy s PHE 59 Ca -0.13 -1.39 0.00 0.00 0.33 0.00 0.00 56.93 55.74 1hvy s PHE 59 Cb -0.05 -1.91 0.00 0.00 -1.31 0.00 0.00 43.02 39.75 1hvy s PHE 59 CO 0.04 -0.67 0.00 0.41 1.83 0.00 0.00 175.22 176.83 1hvy n GLY 60 N 4.41 -1.70 3.25 13.12 0.00 -0.46 -5.01 105.19 118.79 1hvy n GLY 60 Ca -0.20 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1hvy n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hvy s MET 61 N -1.34 0.88 -0.18 1.61 -1.94 -1.03 -4.98 119.30 112.32 1hvy s MET 61 Ca 0.00 -0.75 -0.15 0.00 -1.71 0.00 0.00 55.69 53.08 1hvy s MET 61 Cb 0.00 0.37 0.05 0.00 2.01 0.00 0.00 34.83 37.26 1hvy s MET 61 CO 0.00 -0.30 0.46 -1.14 -0.01 0.00 0.00 175.02 174.03 1hvy s GLN 62 N -3.41 0.53 0.03 2.03 0.74 -1.26 -1.07 119.66 117.25 1hvy s GLN 62 Ca 0.01 0.68 0.01 0.00 0.05 0.00 0.00 55.36 56.11 1hvy s GLN 62 Cb 0.02 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 34.33 1hvy s GLN 62 CO -0.09 -0.08 -0.05 0.00 -0.55 0.00 0.00 175.29 174.53 1hvy s ALA 63 N 0.43 0.29 -0.19 1.58 0.00 -0.56 -4.99 121.76 118.31 1hvy s ALA 63 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1hvy s ALA 63 Cb -0.04 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1hvy s ALA 63 CO -0.02 -0.11 -0.16 0.50 0.00 0.00 0.00 175.76 175.97 1hvy s ARG 64 N -1.54 3.05 -0.28 0.00 3.52 -1.26 -0.46 118.95 121.97 1hvy s ARG 64 Ca -0.13 -0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 54.61 1hvy s ARG 64 Cb -0.10 -2.68 0.01 0.00 -1.56 0.00 0.00 34.95 30.62 1hvy s ARG 64 CO -0.01 -0.22 0.05 0.71 -0.81 0.00 0.00 175.30 175.02 1hvy s TYR 65 N 1.33 3.12 0.32 5.12 2.02 0.50 -4.96 117.35 124.79 1hvy s TYR 65 Ca 0.05 -1.07 -0.29 0.00 -0.37 0.00 0.00 57.07 55.39 1hvy s TYR 65 Cb -0.13 -2.21 -0.10 0.00 -0.40 0.00 0.00 41.96 39.11 1hvy s TYR 65 CO -0.11 -0.60 1.30 0.45 -1.57 0.00 0.00 175.55 175.02 1hvy s SER 66 N 1.47 6.81 -0.08 2.29 0.15 -1.26 -0.59 113.70 122.48 1hvy s SER 66 Ca 0.02 2.66 0.12 0.00 0.70 0.00 0.00 55.95 59.44 1hvy s SER 66 Cb -0.17 -2.65 0.27 0.00 -1.71 0.00 0.00 66.02 61.77 1hvy s SER 66 CO 0.01 -0.51 1.20 0.18 1.20 0.00 0.00 173.24 175.32 1hvy n LEU 67 N 0.89 2.75 -4.49 3.45 4.77 -0.12 -4.56 117.00 119.69 1hvy n LEU 67 Ca 0.00 -2.55 -0.43 0.00 -0.03 0.00 0.00 56.01 53.01 1hvy n LEU 67 Cb 0.42 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1hvy n LEU 67 CO 0.59 0.65 0.77 -0.13 -1.33 0.00 0.00 177.39 177.94 1hvy s ARG 68 N -1.96 3.22 -1.61 3.23 0.52 -1.25 -4.07 118.95 117.03 1hvy s ARG 68 Ca 0.24 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1hvy s ARG 68 Cb 0.19 -4.14 0.00 0.00 0.52 0.00 0.00 34.95 31.52 1hvy s ARG 68 CO 0.06 -1.68 0.16 -0.25 0.02 0.00 0.00 175.30 173.62 1hvy n ASP 69 N 7.68 -5.68 -3.54 0.23 8.00 -1.26 -4.96 116.55 117.02 1hvy n ASP 69 Ca -0.01 -0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1hvy n ASP 69 Cb 0.47 -4.65 -0.04 0.00 -0.02 0.00 0.00 41.12 36.87 1hvy n ASP 69 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1hvy s GLU 70 N -5.16 0.77 -0.11 -1.24 -1.05 -1.26 -4.90 118.70 105.75 1hvy s GLU 70 Ca 0.08 -0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.90 1hvy s GLU 70 Cb -0.03 0.36 0.02 0.00 -0.44 0.00 0.00 34.13 34.03 1hvy s GLU 70 CO 0.10 -0.28 -0.12 0.12 0.95 0.00 0.00 175.26 176.03 1hvy s PHE 71 N -1.88 1.80 -0.51 4.83 2.19 -0.33 -4.38 117.98 119.69 1hvy s PHE 71 Ca -0.01 -0.88 -0.08 0.00 0.33 0.00 0.00 56.93 56.29 1hvy s PHE 71 Cb -0.01 -1.35 -0.07 0.00 -1.31 0.00 0.00 43.02 40.28 1hvy s PHE 71 CO -0.01 -0.50 1.67 -0.35 1.83 0.00 0.00 175.22 177.85 1hvy n PRO 72 N 4.49 1.13 -3.51 10.12 -0.04 -1.26 -3.88 135.00 142.05 1hvy n PRO 72 Ca -0.17 -1.14 -0.41 0.00 -0.04 0.00 0.00 63.50 61.73 1hvy n PRO 72 Cb 0.51 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1hvy n PRO 72 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hvy s LEU 73 N 0.19 4.78 0.26 1.53 2.96 -1.26 -4.39 118.68 122.76 1hvy s LEU 73 Ca 0.31 -0.67 -0.28 0.00 -0.22 0.00 0.00 54.13 53.26 1hvy s LEU 73 Cb 0.08 -2.14 -0.15 0.00 0.50 0.00 0.00 46.19 44.48 1hvy s LEU 73 CO 0.03 -0.34 0.91 0.18 -1.32 0.00 0.00 176.35 175.81 1hvy n LEU 74 N 5.12 1.11 -0.00 -0.68 4.32 -1.26 -4.66 117.00 120.95 1hvy n LEU 74 Ca -0.12 1.17 0.05 0.00 -0.02 0.00 0.00 56.01 57.09 1hvy n LEU 74 Cb 0.48 -1.21 -0.08 0.00 -1.62 0.00 0.00 43.42 40.99 1hvy n LEU 74 CO 0.39 -1.74 -0.51 0.35 -1.22 0.00 0.00 177.39 174.65 1hvy n THR 75 N 0.24 0.00 1.56 -5.08 -2.24 -1.26 -4.37 114.28 103.12 1hvy n THR 75 Ca 0.12 -0.25 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1hvy n THR 75 Cb 0.30 0.40 0.50 0.00 -2.10 0.00 0.00 70.33 69.43 1hvy n THR 75 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hvy n THR 76 N -1.75 0.00 -3.58 4.28 -2.24 -1.26 0.55 114.28 110.28 1hvy n THR 76 Ca -0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1hvy n THR 76 Cb 0.25 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 1hvy n THR 76 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1hvy s LYS 77 N -2.00 0.81 -0.42 -0.78 2.20 -1.26 -4.64 119.74 113.65 1hvy s LYS 77 Ca 0.25 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 1hvy s LYS 77 Cb 0.12 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.85 1hvy s LYS 77 CO 0.20 -0.19 1.10 0.50 -0.36 0.00 0.00 175.35 176.59 1hvy s ARG 78 N -0.47 3.84 0.04 4.03 3.52 -1.14 -4.65 118.95 124.12 1hvy s ARG 78 Ca -0.04 0.73 -0.25 0.00 -0.13 0.00 0.00 55.73 56.04 1hvy s ARG 78 Cb -0.02 -3.84 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 1hvy s ARG 78 CO 0.03 -1.19 0.77 0.08 -0.81 0.00 0.00 175.30 174.19 1hvy s VAL 79 N 4.10 4.75 -0.74 7.11 1.01 -1.26 -4.78 120.40 130.58 1hvy s VAL 79 Ca 0.46 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.83 1hvy s VAL 79 Cb -0.09 -4.12 -0.21 0.00 0.00 0.00 0.00 36.38 31.96 1hvy s VAL 79 CO 0.25 0.35 1.88 0.33 0.00 0.00 0.00 175.10 177.91 1hvy n PHE 80 N 2.89 1.48 -0.29 5.22 7.35 -1.26 -4.75 117.46 128.10 1hvy n PHE 80 Ca -0.02 -1.13 0.07 0.00 -0.76 0.00 0.00 57.45 55.61 1hvy n PHE 80 Cb 0.50 -1.86 0.22 0.00 0.35 0.00 0.00 39.48 38.69 1hvy n PHE 80 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 1hvy h TRP 81 N 9.50 0.77 -1.00 -5.13 2.91 -2.00 -1.02 115.95 119.98 1hvy h TRP 81 Ca 0.26 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.38 1hvy h TRP 81 Cb 0.80 -0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 29.17 1hvy h TRP 81 CO 1.13 0.20 0.65 -0.22 -1.03 0.00 0.00 178.44 179.17 1hvy h LYS 82 N 0.64 1.13 -0.43 2.65 3.64 -2.00 -1.00 116.57 121.20 1hvy h LYS 82 Ca 0.45 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 1hvy h LYS 82 Cb 0.62 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1hvy h LYS 82 CO -0.35 0.75 0.16 0.78 -2.27 0.00 0.00 179.45 178.52 1hvy h GLY 83 N 1.16 0.70 0.72 5.01 0.00 -1.59 -1.36 103.07 107.71 1hvy h GLY 83 Ca 0.43 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1hvy h GLY 83 CO -0.17 0.37 -0.19 -2.08 0.00 0.00 0.00 176.54 174.47 1hvy h VAL 84 N 0.55 0.58 0.12 4.60 2.07 -0.96 0.49 116.25 123.70 1hvy h VAL 84 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1hvy h VAL 84 Cb 0.21 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1hvy h VAL 84 CO -0.01 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.77 1hvy h LEU 85 N -0.38 -0.14 -0.65 2.57 5.85 -1.14 -2.15 115.31 119.28 1hvy h LEU 85 Ca 0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1hvy h LEU 85 Cb 0.38 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1hvy h LEU 85 CO -0.08 -0.09 0.27 -0.33 -0.34 0.00 0.00 178.44 177.87 1hvy h GLU 86 N -0.17 0.97 -0.59 1.25 4.39 -1.16 -1.75 114.58 117.51 1hvy h GLU 86 Ca -0.02 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.54 1hvy h GLU 86 Cb 0.13 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1hvy h GLU 86 CO 0.03 0.81 0.36 1.49 -1.16 0.00 0.00 179.01 180.53 1hvy h GLU 87 N 0.91 0.68 -0.53 2.33 4.81 -0.78 0.55 114.58 122.55 1hvy h GLU 87 Ca 0.22 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1hvy h GLU 87 Cb 0.20 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1hvy h GLU 87 CO -0.02 0.45 0.08 1.25 -0.73 0.00 0.00 179.01 180.04 1hvy h LEU 88 N 0.70 0.85 -1.35 1.64 5.85 -1.12 0.23 115.31 122.11 1hvy h LEU 88 Ca 0.24 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1hvy h LEU 88 Cb 0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1hvy h LEU 88 CO -0.11 0.90 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.77 1hvy h LEU 89 N 0.77 0.35 -0.32 2.25 3.38 -1.00 0.25 115.31 121.00 1hvy h LEU 89 Ca 0.16 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1hvy h LEU 89 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1hvy h LEU 89 CO 0.01 0.45 -0.05 -0.25 0.09 0.00 0.00 178.44 178.69 1hvy h TRP 90 N 0.36 0.66 -0.29 1.13 7.01 -0.14 -2.05 115.95 122.63 1hvy h TRP 90 Ca 0.08 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1hvy h TRP 90 Cb 0.32 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1hvy h TRP 90 CO 0.01 0.76 0.18 0.74 -2.79 0.00 0.00 178.44 177.33 1hvy h PHE 91 N 0.38 0.38 -0.77 2.65 0.04 0.25 -2.66 116.94 117.20 1hvy h PHE 91 Ca 0.08 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.93 1hvy h PHE 91 Cb 0.53 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 1hvy h PHE 91 CO 0.05 0.28 0.51 0.82 -0.60 0.00 0.00 178.31 179.36 1hvy h ILE 92 N 0.37 0.99 0.00 -0.55 2.04 -0.85 0.60 117.51 120.12 1hvy h ILE 92 Ca 0.10 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1hvy h ILE 92 Cb 0.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1hvy h ILE 92 CO -0.02 0.14 0.00 0.29 0.00 0.00 0.00 178.15 178.56 1hvy n LYS 93 N -4.49 0.00 -1.00 2.37 5.02 -0.78 -4.84 118.16 114.44 1hvy n LYS 93 Ca 0.12 0.27 -0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1hvy n LYS 93 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1hvy n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hvy n GLY 94 N -0.09 0.43 3.77 0.72 0.00 0.20 -5.02 105.19 105.21 1hvy n GLY 94 Ca 0.03 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1hvy n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hvy s SER 95 N -2.63 7.23 -0.05 1.61 0.15 -1.13 -3.80 113.70 115.08 1hvy s SER 95 Ca 0.00 2.08 0.08 0.00 0.70 0.00 0.00 55.95 58.80 1hvy s SER 95 Cb 0.00 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.82 1hvy s SER 95 CO 0.00 -0.15 1.00 0.35 1.20 0.00 0.00 173.24 175.64 1hvy n THR 96 N 0.84 0.87 -3.59 6.45 -2.24 -1.26 -4.24 114.28 111.11 1hvy n THR 96 Ca 0.01 -1.02 -0.41 0.00 -2.27 0.00 0.00 64.05 60.36 1hvy n THR 96 Cb 0.47 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.85 1hvy n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1hvy s ASN 97 N -1.64 5.77 0.57 3.42 3.84 -1.26 -1.42 114.94 124.22 1hvy s ASN 97 Ca 0.13 -0.93 0.25 0.00 0.21 0.00 0.00 52.86 52.52 1hvy s ASN 97 Cb 0.11 -2.04 1.61 0.00 -0.55 0.00 0.00 41.25 40.38 1hvy s ASN 97 CO 0.01 -0.37 2.20 0.00 -2.79 0.00 0.00 177.10 176.15 1hvy h ALA 98 N 8.45 1.74 0.00 1.71 0.00 -0.95 -1.56 119.26 128.65 1hvy h ALA 98 Ca -0.26 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1hvy h ALA 98 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1hvy h ALA 98 CO 0.67 -0.05 -0.33 0.87 0.00 0.00 0.00 179.25 180.41 1hvy h LYS 99 N 0.00 0.00 0.00 0.00 1.57 -1.91 0.17 116.57 116.40 1hvy h LYS 99 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1hvy h LYS 99 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1hvy h LYS 99 CO -0.00 0.33 -0.42 0.93 -0.57 0.00 0.00 179.45 179.72 1hvy h GLU 100 N 0.00 0.00 0.10 3.15 5.08 -1.67 -0.82 114.58 120.41 1hvy h GLU 100 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1hvy h GLU 100 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1hvy h GLU 100 CO 0.04 0.42 -1.75 1.25 -1.00 0.00 0.00 179.01 177.97 1hvy h LEU 101 N 0.00 0.32 -1.61 1.33 5.85 -1.45 -3.31 115.31 116.45 1hvy h LEU 101 Ca -0.00 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 1hvy h LEU 101 Cb 0.85 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1hvy h LEU 101 CO 0.05 1.51 -0.07 -1.28 -0.34 0.00 0.00 178.44 178.31 1hvy h SER 102 N 0.06 0.15 0.03 1.25 0.87 -0.54 -1.51 113.55 113.86 1hvy h SER 102 Ca -0.32 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1hvy h SER 102 Cb 2.03 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1hvy h SER 102 CO 0.12 0.25 -0.01 0.28 -0.53 0.00 0.00 176.83 176.93 1hvy h SER 103 N 0.16 0.00 -0.18 6.23 0.02 -1.23 -0.15 113.55 118.41 1hvy h SER 103 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1hvy h SER 103 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1hvy h SER 103 CO 0.01 0.01 0.00 0.29 -1.14 0.00 0.00 176.83 176.00 1hvy n LYS 104 N -3.89 1.81 -0.67 3.45 4.76 -0.58 -4.90 118.16 118.14 1hvy n LYS 104 Ca -0.03 -1.22 0.00 0.00 -2.87 0.00 0.00 58.31 54.19 1hvy n LYS 104 Cb 0.10 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1hvy n LYS 104 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hvy n GLY 105 N 1.17 0.62 3.19 0.72 0.00 -0.07 -5.04 105.19 105.79 1hvy n GLY 105 Ca 0.17 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1hvy n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hvy s VAL 106 N -2.00 3.16 -1.82 1.61 1.01 -1.14 -4.98 120.40 116.24 1hvy s VAL 106 Ca 0.00 -1.38 0.26 0.00 0.00 0.00 0.00 61.98 60.85 1hvy s VAL 106 Cb 0.00 -2.84 0.21 0.00 0.00 0.00 0.00 36.38 33.75 1hvy s VAL 106 CO 0.00 -0.16 1.46 0.29 0.00 0.00 0.00 175.10 176.69 1hvy n LYS 107 N 4.66 0.92 -0.60 2.72 5.02 -1.26 -3.04 118.16 126.57 1hvy n LYS 107 Ca -0.12 -0.61 0.47 0.00 -2.02 0.00 0.00 58.31 56.03 1hvy n LYS 107 Cb 0.43 -1.49 0.76 0.00 -0.02 0.00 0.00 35.03 34.72 1hvy n LYS 107 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1hvy h ILE 108 N 1.48 0.02 -0.16 -0.18 3.07 -1.95 0.81 117.51 120.60 1hvy h ILE 108 Ca 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1hvy h ILE 108 Cb 0.56 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.13 1hvy h ILE 108 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1hvy n TRP 109 N -4.28 0.20 -0.20 0.16 7.02 -1.26 -4.60 117.44 114.47 1hvy n TRP 109 Ca 0.42 -0.15 -0.04 0.00 -1.02 0.00 0.00 57.50 56.71 1hvy n TRP 109 Cb 1.81 -0.00 0.13 0.00 -2.42 0.00 0.00 31.31 30.82 1hvy n TRP 109 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1hvy h ASP 110 N 3.16 0.93 -0.55 -0.99 3.32 -1.13 -2.91 116.42 118.25 1hvy h ASP 110 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1hvy h ASP 110 Cb 0.73 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1hvy h ASP 110 CO 0.00 0.87 0.36 0.00 -1.72 0.00 0.00 179.24 178.75 1hvy h ALA 111 N 1.25 0.70 0.00 3.45 0.00 -1.81 -1.27 119.26 121.59 1hvy h ALA 111 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1hvy h ALA 111 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1hvy h ALA 111 CO -0.01 0.11 0.00 -0.91 0.00 0.00 0.00 179.25 178.44 1hvy h ASN 112 N 0.72 0.00 -0.02 0.00 4.21 -1.83 -2.68 115.58 115.98 1hvy h ASN 112 Ca 0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1hvy h ASN 112 Cb -0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1hvy h ASN 112 CO -0.06 0.00 -0.07 0.61 -1.29 0.00 0.00 177.43 176.62 1hvy n GLY 113 N -0.21 0.38 3.70 2.83 0.00 -0.84 -4.63 105.19 106.42 1hvy n GLY 113 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1hvy n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hvy s SER 114 N -1.66 3.65 0.17 1.61 1.04 -0.54 -0.81 113.70 117.16 1hvy s SER 114 Ca 0.21 2.31 -0.14 0.00 0.48 0.00 0.00 55.95 58.81 1hvy s SER 114 Cb 0.15 -2.58 0.13 0.00 0.10 0.00 0.00 66.02 63.82 1hvy s SER 114 CO 0.28 -2.62 1.75 -0.09 0.98 0.00 0.00 173.24 173.53 1hvy h ARG 115 N -0.93 0.30 0.37 4.02 9.65 -1.91 -1.03 114.38 124.85 1hvy h ARG 115 Ca -0.46 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 1hvy h ARG 115 Cb 1.29 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1hvy h ARG 115 CO 0.46 0.20 -0.18 -0.44 2.80 0.00 0.00 179.97 182.82 1hvy h ASP 116 N 0.31 -0.42 0.27 -3.80 3.45 -1.93 -1.35 116.42 112.95 1hvy h ASP 116 Ca 0.21 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 1hvy h ASP 116 Cb 0.22 0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1hvy h ASP 116 CO -0.22 -0.29 -0.24 0.15 -1.57 0.00 0.00 179.24 177.06 1hvy h PHE 117 N -0.51 0.00 -0.04 4.55 3.04 -1.77 -2.15 116.94 120.06 1hvy h PHE 117 Ca -0.05 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.68 1hvy h PHE 117 Cb 0.39 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.90 1hvy h PHE 117 CO -0.05 0.24 -0.88 -0.07 -2.02 0.00 0.00 178.31 175.53 1hvy h LEU 118 N 0.00 0.66 -0.69 0.59 3.38 -1.04 -3.21 115.31 115.01 1hvy h LEU 118 Ca -0.00 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1hvy h LEU 118 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1hvy h LEU 118 CO 0.03 1.28 -0.06 0.44 0.09 0.00 0.00 178.44 180.22 1hvy h ASP 119 N 0.33 0.94 0.30 -0.43 3.32 -0.90 0.34 116.42 120.32 1hvy h ASP 119 Ca -0.07 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1hvy h ASP 119 Cb 1.51 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1hvy h ASP 119 CO 0.16 1.03 0.00 0.77 -1.72 0.00 0.00 179.24 179.48 1hvy h SER 120 N 0.87 0.00 -0.25 6.45 4.64 -1.40 0.62 113.55 124.48 1hvy h SER 120 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1hvy h SER 120 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1hvy h SER 120 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1hvy n LEU 121 N -3.02 3.28 0.00 5.97 4.77 -0.99 -4.94 117.00 122.07 1hvy n LEU 121 Ca -0.02 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1hvy n LEU 121 Cb 0.14 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1hvy n LEU 121 CO 0.21 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1hvy n GLY 122 N 1.43 0.56 2.77 -0.72 0.00 0.21 -4.96 105.19 104.48 1hvy n GLY 122 Ca 0.17 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1hvy n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hvy n PHE 123 N -2.74 3.06 0.12 1.61 3.72 0.12 -4.70 117.46 118.64 1hvy n PHE 123 Ca 0.00 -2.51 0.01 0.00 -0.05 0.00 0.00 57.45 54.90 1hvy n PHE 123 Cb 0.00 -1.08 0.34 0.00 -0.94 0.00 0.00 39.48 37.80 1hvy n PHE 123 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1hvy h SER 124 N 2.80 0.22 0.26 4.37 4.64 -1.82 -2.14 113.55 121.87 1hvy h SER 124 Ca 0.54 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1hvy h SER 124 Cb 0.26 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1hvy h SER 124 CO 1.38 0.46 -0.09 0.35 -0.87 0.00 0.00 176.83 178.05 1hvy n THR 125 N -4.19 0.00 -3.08 2.95 -2.24 -1.26 -4.87 114.28 101.59 1hvy n THR 125 Ca -0.01 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 1hvy n THR 125 Cb 0.34 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 1hvy n THR 125 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1hvy s ARG 126 N -2.35 4.38 0.48 -0.78 3.52 -0.80 -5.05 118.95 118.35 1hvy s ARG 126 Ca 0.32 0.97 -0.22 0.00 -0.13 0.00 0.00 55.73 56.68 1hvy s ARG 126 Cb 0.20 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.39 1hvy s ARG 126 CO 0.45 0.53 1.12 -2.00 -0.81 0.00 0.00 175.30 174.58 1hvy s GLU 127 N -1.43 3.70 0.21 5.12 2.12 -1.26 -4.97 118.70 122.20 1hvy s GLU 127 Ca 0.37 1.63 -0.31 0.00 0.36 0.00 0.00 54.97 57.02 1hvy s GLU 127 Cb -0.20 -2.26 -0.10 0.00 0.26 0.00 0.00 34.13 31.83 1hvy s GLU 127 CO 0.23 -0.57 1.51 -2.00 -0.54 0.00 0.00 175.26 173.89 1hvy s GLU 128 N -2.93 4.23 0.00 4.30 2.12 -1.26 -2.51 118.70 122.66 1hvy s GLU 128 Ca 0.66 2.36 0.00 0.00 0.36 0.00 0.00 54.97 58.35 1hvy s GLU 128 Cb -0.24 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1hvy s GLU 128 CO 0.29 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1hvy n GLY 129 N 2.90 2.53 3.55 -1.50 0.00 0.01 -4.90 105.19 107.78 1hvy n GLY 129 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1hvy n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hvy s ASP 130 N -1.31 6.08 0.00 1.61 3.68 -1.04 -0.24 116.67 125.44 1hvy s ASP 130 Ca 0.00 -0.52 0.23 0.00 2.13 0.00 0.00 52.55 54.39 1hvy s ASP 130 Cb 0.00 -2.56 1.06 0.00 -1.45 0.00 0.00 42.92 39.98 1hvy s ASP 130 CO 0.00 -1.87 1.74 0.18 0.13 0.00 0.00 175.17 175.35 1hvy n LEU 131 N 9.81 0.00 0.00 -1.34 4.77 -0.50 -4.89 117.00 124.85 1hvy n LEU 131 Ca 0.10 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1hvy n LEU 131 Cb 0.50 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1hvy n LEU 131 CO 0.70 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1hvy n GLY 132 N 0.75 -1.93 2.78 -0.72 0.00 -1.26 -1.89 105.19 102.91 1hvy n GLY 132 Ca 0.08 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1hvy n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvy n PRO 133 N 0.00 2.17 -0.11 1.61 -0.04 -1.26 -4.81 135.00 132.56 1hvy n PRO 133 Ca 0.00 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1hvy n PRO 133 Cb 0.00 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1hvy n PRO 133 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1hvy n VAL 134 N 4.94 0.00 0.00 0.52 0.24 -1.26 -4.59 118.33 118.18 1hvy n VAL 134 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.81 1hvy n VAL 134 Cb 0.28 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1hvy n VAL 134 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1hvy n TYR 135 N -0.23 0.00 -0.18 6.34 4.01 -1.26 -1.28 117.16 124.56 1hvy n TYR 135 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1hvy n TYR 135 Cb 0.00 -0.10 0.07 0.00 -0.31 0.00 0.00 39.34 39.00 1hvy n TYR 135 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1hvy h GLY 136 N 0.00 0.52 0.99 2.72 0.00 -1.76 0.22 103.07 105.76 1hvy h GLY 136 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1hvy h GLY 136 CO 0.00 -0.18 0.32 -2.75 0.00 0.00 0.00 176.54 173.92 1hvy h PHE 137 N 0.08 0.78 -0.27 5.60 3.57 -1.28 -2.41 116.94 123.00 1hvy h PHE 137 Ca 0.28 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1hvy h PHE 137 Cb 0.43 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1hvy h PHE 137 CO -0.37 0.56 -0.02 1.96 -2.23 0.00 0.00 178.31 178.20 1hvy h GLN 138 N 0.77 0.49 -0.94 1.11 1.08 -0.66 0.35 115.11 117.31 1hvy h GLN 138 Ca 0.20 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1hvy h GLN 138 Cb 0.04 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1hvy h GLN 138 CO -0.03 0.67 0.62 -1.49 -0.95 0.00 0.00 178.83 177.65 1hvy h TRP 139 N 0.26 1.16 0.00 2.96 4.06 -0.86 -2.32 115.95 121.21 1hvy h TRP 139 Ca 0.07 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1hvy h TRP 139 Cb 0.47 -0.39 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1hvy h TRP 139 CO 0.04 0.70 -1.33 0.54 -3.56 0.00 0.00 178.44 174.82 1hvy n ARG 140 N -4.42 1.04 -2.57 0.49 5.12 -0.92 -1.41 116.66 113.99 1hvy n ARG 140 Ca 0.12 -0.09 0.01 0.00 -1.93 0.00 0.00 57.85 55.95 1hvy n ARG 140 Cb 0.06 -1.32 0.05 0.00 -1.16 0.00 0.00 32.46 30.09 1hvy n ARG 140 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1hvy n HIS 141 N -1.78 0.83 -1.66 -1.55 8.25 0.12 -3.55 115.22 115.89 1hvy n HIS 141 Ca -0.01 -1.81 -0.47 0.00 -0.26 0.00 0.00 57.72 55.18 1hvy n HIS 141 Cb 0.35 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 1hvy n HIS 141 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1hvy n PHE 142 N -0.45 2.18 0.00 4.41 7.35 -0.75 -1.12 117.46 129.08 1hvy n PHE 142 Ca 0.05 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1hvy n PHE 142 Cb 0.86 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 38.18 1hvy n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hvy n GLY 143 N 3.25 2.89 3.75 7.13 0.00 -1.26 0.28 105.19 121.23 1hvy n GLY 143 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1hvy n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvy s ALA 144 N -2.64 2.30 -0.41 4.61 0.00 -0.27 -4.82 121.76 120.52 1hvy s ALA 144 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 1hvy s ALA 144 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1hvy s ALA 144 CO 0.00 -1.56 1.01 -1.21 0.00 0.00 0.00 175.76 174.00 1hvy s GLU 145 N -4.12 3.79 0.15 0.00 0.41 -1.26 -5.00 118.70 112.66 1hvy s GLU 145 Ca 0.69 0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 55.52 1hvy s GLU 145 Cb -0.23 -3.85 -0.07 0.00 -1.78 0.00 0.00 34.13 28.20 1hvy s GLU 145 CO 0.44 -1.12 1.11 -0.47 -0.49 0.00 0.00 175.26 174.74 1hvy s TYR 146 N 3.83 3.57 0.00 1.61 5.04 -1.26 -4.96 117.35 125.18 1hvy s TYR 146 Ca 0.42 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1hvy s TYR 146 Cb -0.10 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 38.92 1hvy s TYR 146 CO 0.23 -0.67 0.00 0.54 -1.34 0.00 0.00 175.55 174.31 1hvy n ARG 147 N 2.65 0.00 -3.98 4.97 1.74 -1.26 -5.10 116.66 115.68 1hvy n ARG 147 Ca 0.04 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.94 1hvy n ARG 147 Cb 0.46 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.83 1hvy n ARG 147 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1hvy n ASP 148 N -0.59 -0.55 0.24 0.55 5.68 -1.26 -5.06 116.55 115.56 1hvy n ASP 148 Ca 0.00 -2.94 0.10 0.00 -0.50 0.00 0.00 54.79 51.45 1hvy n ASP 148 Cb 0.00 1.46 0.60 0.00 -1.14 0.00 0.00 41.12 42.03 1hvy n ASP 148 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hvy h MET 149 N 0.00 0.00 -0.47 0.11 -0.00 -1.95 -3.04 114.93 109.58 1hvy h MET 149 Ca -0.21 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.34 1hvy h MET 149 Cb 1.06 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.57 1hvy h MET 149 CO 0.31 0.19 0.10 0.39 -0.00 0.00 0.00 176.91 177.89 1hvy n GLU 150 N -3.64 2.82 -2.63 -0.10 1.02 -1.26 -4.68 120.64 112.17 1hvy n GLU 150 Ca -0.01 -3.03 -0.30 0.00 -0.02 0.00 0.00 57.16 53.80 1hvy n GLU 150 Cb 0.32 -1.97 -0.02 0.00 -0.02 0.00 0.00 31.44 29.75 1hvy n GLU 150 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1hvy s SER 151 N -1.81 6.43 -0.40 1.62 0.01 -1.15 -5.04 113.70 113.36 1hvy s SER 151 Ca 0.48 1.15 -0.18 0.00 1.31 0.00 0.00 55.95 58.70 1hvy s SER 151 Cb 0.40 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1hvy s SER 151 CO 0.08 -0.52 0.52 -0.62 0.41 0.00 0.00 173.24 173.10 1hvy s ASP 152 N -3.53 6.27 -0.18 2.44 2.15 -1.26 -4.92 116.67 117.64 1hvy s ASP 152 Ca 0.51 -0.32 0.16 0.00 0.43 0.00 0.00 52.55 53.33 1hvy s ASP 152 Cb -0.10 -2.27 0.61 0.00 -0.30 0.00 0.00 42.92 40.86 1hvy s ASP 152 CO 0.38 -0.59 1.52 -1.22 -0.17 0.00 0.00 175.17 175.09 1hvy n TYR 153 N 5.83 1.27 -1.67 -5.34 4.02 -1.26 -5.00 117.16 115.01 1hvy n TYR 153 Ca -0.05 -0.79 -0.46 0.00 -0.01 0.00 0.00 57.90 56.59 1hvy n TYR 153 Cb 0.48 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 1hvy n TYR 153 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1hvy n SER 154 N -0.02 3.06 0.00 7.72 7.64 -1.26 -1.20 113.62 129.57 1hvy n SER 154 Ca 0.23 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1hvy n SER 154 Cb 0.95 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1hvy n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hvy n GLY 155 N 3.42 0.43 3.84 0.23 0.00 -1.26 -5.00 105.19 106.85 1hvy n GLY 155 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1hvy n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvy s GLN 156 N -0.62 3.39 0.99 1.61 -0.21 -0.34 -5.00 119.66 119.48 1hvy s GLN 156 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1hvy s GLN 156 Cb 0.00 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.88 1hvy s GLN 156 CO 0.00 0.75 0.00 0.41 -2.12 0.00 0.00 175.29 174.33 1hvy n GLY 157 N 2.07 -1.82 3.67 3.09 0.00 -1.26 -4.42 105.19 106.53 1hvy n GLY 157 Ca -0.20 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 1hvy n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hvy s VAL 158 N -0.42 5.29 -1.11 1.61 1.01 0.14 -4.77 120.40 122.15 1hvy s VAL 158 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1hvy s VAL 158 Cb 0.00 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.91 1hvy s VAL 158 CO 0.00 0.31 1.37 -0.62 0.00 0.00 0.00 175.10 176.17 1hvy s ASP 159 N 0.97 6.85 0.22 3.32 -1.08 -1.23 -1.81 116.67 123.90 1hvy s ASP 159 Ca 0.13 -2.48 -0.09 0.00 -0.52 0.00 0.00 52.55 49.59 1hvy s ASP 159 Cb -0.14 -2.44 0.20 0.00 -1.46 0.00 0.00 42.92 39.08 1hvy s ASP 159 CO 0.06 -0.97 1.89 1.56 0.52 0.00 0.00 175.17 178.22 1hvy h GLN 160 N 7.99 1.06 -0.36 4.34 4.20 -1.50 -1.84 115.11 129.00 1hvy h GLN 160 Ca 0.27 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.97 1hvy h GLN 160 Cb 0.93 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1hvy h GLN 160 CO 1.24 0.70 0.08 1.25 -0.67 0.00 0.00 178.83 181.43 1hvy h LEU 161 N 1.09 0.03 -0.42 1.46 5.85 -1.80 0.23 115.31 121.75 1hvy h LEU 161 Ca 0.31 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.92 1hvy h LEU 161 Cb -0.10 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1hvy h LEU 161 CO -0.08 0.05 -0.42 -0.61 -0.34 0.00 0.00 178.44 177.05 1hvy h GLN 162 N 0.21 0.87 -0.63 1.25 5.75 -1.82 -2.26 115.11 118.47 1hvy h GLN 162 Ca 0.17 -0.47 -0.03 0.00 -0.15 0.00 0.00 58.65 58.17 1hvy h GLN 162 Cb 0.19 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1hvy h GLN 162 CO -0.22 1.12 0.28 0.00 -2.65 0.00 0.00 178.83 177.36 1hvy h ARG 163 N 0.71 0.91 0.24 1.69 3.08 -0.83 0.14 114.38 120.32 1hvy h ARG 163 Ca 0.05 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1hvy h ARG 163 Cb 1.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1hvy h ARG 163 CO 0.10 0.73 -0.12 0.28 -1.07 0.00 0.00 179.97 179.89 1hvy h VAL 164 N 0.90 0.79 -0.19 2.04 2.07 -0.41 0.00 116.25 121.46 1hvy h VAL 164 Ca 0.22 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1hvy h VAL 164 Cb 0.14 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1hvy h VAL 164 CO -0.02 0.04 -0.11 0.40 0.02 0.00 0.00 177.57 177.90 1hvy h ILE 165 N -0.43 0.67 -0.71 4.57 2.04 -0.93 -1.22 117.51 121.50 1hvy h ILE 165 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1hvy h ILE 165 Cb 0.32 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1hvy h ILE 165 CO 0.05 0.00 0.39 0.44 0.00 0.00 0.00 178.15 179.03 1hvy h ASP 166 N -0.09 0.87 -0.47 1.72 3.45 -0.62 -2.14 116.42 119.14 1hvy h ASP 166 Ca 0.11 -0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 1hvy h ASP 166 Cb 0.26 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1hvy h ASP 166 CO -0.25 0.70 -0.17 0.74 -1.57 0.00 0.00 179.24 178.70 1hvy h THR 167 N 0.99 1.27 -0.98 0.35 2.02 -0.55 -1.11 112.91 114.90 1hvy h THR 167 Ca 0.25 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.12 1hvy h THR 167 Cb 0.02 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1hvy h THR 167 CO -0.04 0.46 0.63 0.40 0.37 0.00 0.00 175.52 177.34 1hvy h ILE 168 N 0.85 1.26 -0.11 3.11 2.04 -0.82 0.37 117.51 124.21 1hvy h ILE 168 Ca 0.12 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1hvy h ILE 168 Cb 0.73 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1hvy h ILE 168 CO 0.06 0.25 -0.08 0.11 0.00 0.00 0.00 178.15 178.49 1hvy h LYS 169 N 1.33 0.24 0.05 2.37 1.57 -1.07 -3.24 116.57 117.82 1hvy h LYS 169 Ca 0.36 -0.12 -0.28 0.00 -1.87 0.00 0.00 60.65 58.74 1hvy h LYS 169 Cb -0.13 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1hvy h LYS 169 CO -0.07 0.62 -1.48 1.15 -0.57 0.00 0.00 179.45 179.10 1hvy h THR 170 N -0.14 1.17 -1.93 -0.16 2.02 -1.08 -3.43 112.91 109.37 1hvy h THR 170 Ca 0.02 -2.90 -0.43 0.00 0.77 0.00 0.00 66.41 63.87 1hvy h THR 170 Cb 0.57 2.66 -0.31 0.00 -1.74 0.00 0.00 68.15 69.32 1hvy h THR 170 CO 0.02 0.75 -0.79 0.21 0.37 0.00 0.00 175.52 176.08 1hvy s ASN 171 N -6.62 0.63 0.65 4.18 3.04 0.13 -5.00 114.94 111.94 1hvy s ASN 171 Ca -0.06 -2.43 0.42 0.00 0.04 0.00 0.00 52.86 50.83 1hvy s ASN 171 Cb 0.08 0.38 2.25 0.00 -1.54 0.00 0.00 41.25 42.41 1hvy s ASN 171 CO 0.83 -0.16 2.32 1.55 -3.04 0.00 0.00 177.10 178.60 1hvy h PRO 172 N 5.74 0.00 0.00 0.43 0.13 -1.62 -2.24 132.00 134.44 1hvy h PRO 172 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1hvy h PRO 172 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1hvy h PRO 172 CO 0.24 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.76 1hvy n ASP 173 N -3.18 0.22 -4.62 1.44 8.00 -1.26 -3.80 116.55 113.35 1hvy n ASP 173 Ca -0.03 0.53 -0.50 0.00 0.71 0.00 0.00 54.79 55.50 1hvy n ASP 173 Cb 0.10 -0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.56 1hvy n ASP 173 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hvy n ASP 174 N -1.71 2.19 -1.50 -2.24 2.03 -0.84 -4.88 116.55 109.59 1hvy n ASP 174 Ca 0.06 1.10 0.08 0.00 0.52 0.00 0.00 54.79 56.55 1hvy n ASP 174 Cb 0.33 -1.27 0.34 0.00 -0.72 0.00 0.00 41.12 39.80 1hvy n ASP 174 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1hvy n ARG 175 N 3.01 3.96 -0.18 -0.67 1.74 -1.26 -4.25 116.66 119.00 1hvy n ARG 175 Ca 0.18 -2.94 0.09 0.00 -0.77 0.00 0.00 57.85 54.41 1hvy n ARG 175 Cb 0.22 -1.99 0.13 0.00 -1.02 0.00 0.00 32.46 29.81 1hvy n ARG 175 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hvy n ARG 176 N 0.55 1.18 -2.57 5.56 1.74 -1.26 -4.95 116.66 116.91 1hvy n ARG 176 Ca 0.25 -2.51 -0.42 0.00 -0.77 0.00 0.00 57.85 54.40 1hvy n ARG 176 Cb 0.98 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 31.00 1hvy n ARG 176 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1hvy s ILE 177 N -2.63 4.01 0.01 0.55 1.01 -1.26 -4.94 121.20 117.96 1hvy s ILE 177 Ca 0.30 -1.27 0.06 0.00 0.00 0.00 0.00 60.65 59.75 1hvy s ILE 177 Cb 0.27 -5.12 -0.02 0.00 0.01 0.00 0.00 42.46 37.60 1hvy s ILE 177 CO 0.01 -1.98 -0.20 -0.63 0.00 0.00 0.00 174.94 172.15 1hvy s ILE 178 N 4.66 1.56 -0.19 2.92 1.01 -1.26 -1.23 121.20 128.67 1hvy s ILE 178 Ca 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1hvy s ILE 178 Cb 0.02 -1.33 0.04 0.00 0.01 0.00 0.00 42.46 41.20 1hvy s ILE 178 CO -0.02 0.30 -0.09 -0.32 0.00 0.00 0.00 174.94 174.81 1hvy s MET 179 N -0.82 1.91 -0.13 2.79 -2.45 -0.88 -4.90 119.30 114.82 1hvy s MET 179 Ca 0.07 -0.73 0.01 0.00 -1.25 0.00 0.00 55.69 53.79 1hvy s MET 179 Cb -0.08 -2.28 -0.00 0.00 1.25 0.00 0.00 34.83 33.71 1hvy s MET 179 CO 0.01 -0.41 -0.18 0.00 1.05 0.00 0.00 175.02 175.49 1hvy n ALA 181 N 3.82 2.38 -2.14 0.00 0.00 -0.36 -4.66 120.51 119.56 1hvy n ALA 181 Ca -0.19 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 1hvy n ALA 181 Cb 0.52 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1hvy n ALA 181 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1hvy s TRP 182 N -3.22 2.02 -0.36 0.00 -0.11 -0.99 -4.85 118.94 111.42 1hvy s TRP 182 Ca -0.06 0.64 0.03 0.00 1.22 0.00 0.00 56.10 57.94 1hvy s TRP 182 Cb 0.11 -4.20 0.11 0.00 -1.50 0.00 0.00 33.47 27.98 1hvy s TRP 182 CO 0.85 -2.53 0.10 1.21 -4.62 0.00 0.00 176.95 171.96 1hvy s ASN 183 N 5.44 4.50 0.32 5.86 3.84 -1.26 -5.00 114.94 128.64 1hvy s ASN 183 Ca 0.71 -2.19 0.10 0.00 0.21 0.00 0.00 52.86 51.69 1hvy s ASN 183 Cb -0.18 -1.44 0.94 0.00 -0.55 0.00 0.00 41.25 40.02 1hvy s ASN 183 CO 0.32 -0.36 1.68 -0.65 -2.79 0.00 0.00 177.10 175.29 1hvy h PRO 184 N 7.51 0.35 -0.28 0.43 0.11 -2.01 -0.49 132.00 137.62 1hvy h PRO 184 Ca -0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1hvy h PRO 184 Cb 1.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1hvy h PRO 184 CO 0.53 0.23 -0.09 -0.09 -0.21 0.00 0.00 178.00 178.37 1hvy h ARG 185 N 0.36 0.45 0.00 1.05 2.43 -2.01 -3.15 114.38 113.50 1hvy h ARG 185 Ca 0.66 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1hvy h ARG 185 Cb 1.42 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1hvy h ARG 185 CO -0.58 0.55 -0.97 -0.25 -1.51 0.00 0.00 179.97 177.20 1hvy n ASP 186 N -4.24 0.62 -0.35 -3.80 10.43 -0.28 -4.54 116.55 114.40 1hvy n ASP 186 Ca 0.01 -0.20 0.11 0.00 2.57 0.00 0.00 54.79 57.27 1hvy n ASP 186 Cb 0.29 0.72 0.22 0.00 1.84 0.00 0.00 41.12 44.19 1hvy n ASP 186 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1hvy h LEU 187 N 0.00 -0.66 -1.81 0.64 3.38 -1.27 0.77 115.31 116.36 1hvy h LEU 187 Ca 0.00 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1hvy h LEU 187 Cb 0.72 0.54 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1hvy h LEU 187 CO 0.00 -0.34 0.00 1.55 0.09 0.00 0.00 178.44 179.74 1hvy h PRO 188 N 0.01 0.00 -0.01 1.13 0.13 -1.81 -2.23 132.00 129.22 1hvy h PRO 188 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.67 1hvy h PRO 188 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1hvy h PRO 188 CO -0.96 0.00 -0.51 1.28 -0.23 0.00 0.00 178.00 177.59 1hvy n LEU 189 N -2.57 1.49 -4.81 1.56 4.77 0.26 -4.96 117.00 112.74 1hvy n LEU 189 Ca -0.01 -0.53 -0.37 0.00 -0.03 0.00 0.00 56.01 55.06 1hvy n LEU 189 Cb 0.09 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1hvy n LEU 189 CO 0.15 0.29 0.41 -0.04 -1.33 0.00 0.00 177.39 176.87 1hvy s MET 190 N -2.61 4.32 0.41 3.23 -1.94 -0.84 -4.35 119.30 117.52 1hvy s MET 190 Ca 0.18 0.91 0.22 0.00 -1.71 0.00 0.00 55.69 55.29 1hvy s MET 190 Cb 0.18 -3.03 0.66 0.00 2.01 0.00 0.00 34.83 34.65 1hvy s MET 190 CO 0.62 0.48 1.71 0.00 -0.01 0.00 0.00 175.02 177.82 1hvy h ALA 191 N 3.81 0.93 -1.54 3.03 0.00 -1.70 -3.42 119.26 120.37 1hvy h ALA 191 Ca -0.48 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.29 1hvy h ALA 191 Cb 1.20 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1hvy h ALA 191 CO 0.65 0.32 -0.13 -1.17 0.00 0.00 0.00 179.25 178.92 1hvy s LEU 192 N -6.61 -1.15 0.77 0.00 2.96 -1.26 -5.07 118.68 108.33 1hvy s LEU 192 Ca 0.02 1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 55.03 1hvy s LEU 192 Cb 0.09 2.17 0.05 0.00 0.50 0.00 0.00 46.19 49.00 1hvy s LEU 192 CO 0.66 -0.22 1.10 -2.65 -1.32 0.00 0.00 176.35 173.92 1hvy n PRO 193 N 5.40 0.37 -1.68 0.98 -0.02 -1.26 -4.85 135.00 133.93 1hvy n PRO 193 Ca -0.08 0.19 -0.45 0.00 -2.02 0.00 0.00 63.50 61.14 1hvy n PRO 193 Cb 0.50 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1hvy n PRO 193 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1hvy n PRO 194 N -2.59 2.46 0.03 0.52 -0.02 -1.26 -4.90 135.00 129.25 1hvy n PRO 194 Ca 0.13 0.89 -0.19 0.00 -2.02 0.00 0.00 63.50 62.32 1hvy n PRO 194 Cb 0.50 -2.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 1hvy n PRO 194 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hvy s HIS 196 N -2.55 2.80 0.09 0.00 0.00 -1.26 -1.24 115.29 113.14 1hvy s HIS 196 Ca -0.14 -0.73 -0.19 0.00 -3.00 0.00 0.00 55.06 51.00 1hvy s HIS 196 Cb 0.01 -4.21 -0.07 0.00 -4.00 0.00 0.00 32.58 24.31 1hvy s HIS 196 CO 0.82 -1.53 1.57 0.00 -1.00 0.00 0.00 174.74 174.60 1hvy h ALA 197 N 9.40 0.33 -2.66 -1.38 0.00 -1.45 -3.43 119.26 120.08 1hvy h ALA 197 Ca -0.26 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1hvy h ALA 197 Cb 1.07 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 1hvy h ALA 197 CO 1.15 0.01 0.35 -0.48 0.00 0.00 0.00 179.25 180.28 1hvy s LEU 198 N -9.63 -0.38 0.04 0.00 0.05 -1.21 -1.22 118.68 106.33 1hvy s LEU 198 Ca -0.14 -0.18 -0.00 0.00 0.05 0.00 0.00 54.13 53.86 1hvy s LEU 198 Cb 0.08 2.36 -0.03 0.00 -2.05 0.00 0.00 46.19 46.55 1hvy s LEU 198 CO 0.73 -0.92 -0.03 0.00 -0.55 0.00 0.00 176.35 175.59 1hvy s GLN 200 N -2.77 1.21 0.04 0.00 0.74 0.33 -2.06 119.66 117.15 1hvy s GLN 200 Ca -0.04 -0.40 0.01 0.00 0.05 0.00 0.00 55.36 54.99 1hvy s GLN 200 Cb -0.00 -1.10 -0.04 0.00 1.10 0.00 0.00 33.01 32.97 1hvy s GLN 200 CO -0.06 0.15 0.10 -0.06 -0.55 0.00 0.00 175.29 174.88 1hvy s PHE 201 N 0.15 3.29 -0.01 1.67 0.08 -0.37 -0.57 117.98 122.22 1hvy s PHE 201 Ca -0.03 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 1hvy s PHE 201 Cb -0.09 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1hvy s PHE 201 CO 0.01 0.55 0.03 -0.47 -0.10 0.00 0.00 175.22 175.24 1hvy s TYR 202 N -1.33 -0.03 -0.04 0.36 5.04 -0.51 -4.49 117.35 116.36 1hvy s TYR 202 Ca 0.28 0.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.01 1hvy s TYR 202 Cb -0.12 0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.20 1hvy s TYR 202 CO 0.20 -0.02 -0.11 0.08 -1.34 0.00 0.00 175.55 174.36 1hvy s VAL 203 N -0.01 0.97 -0.25 3.14 1.01 -1.25 -0.33 120.40 123.68 1hvy s VAL 203 Ca -0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1hvy s VAL 203 Cb -0.00 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.57 1hvy s VAL 203 CO 0.00 0.30 0.66 0.54 0.00 0.00 0.00 175.10 176.60 1hvy s VAL 204 N 0.33 -0.00 -1.45 2.92 0.11 -0.99 -4.64 120.40 116.68 1hvy s VAL 204 Ca -0.07 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1hvy s VAL 204 Cb -0.11 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1hvy s VAL 204 CO 0.02 0.00 0.69 0.59 -3.33 0.00 0.00 175.10 173.07 1hvy n ASN 205 N 3.39 -2.07 -1.50 3.54 3.02 -1.26 -1.29 115.26 119.08 1hvy n ASN 205 Ca -0.17 -0.90 -0.19 0.00 -0.03 0.00 0.00 54.58 53.30 1hvy n ASN 205 Cb 0.57 -3.51 -0.08 0.00 -0.61 0.00 0.00 39.78 36.14 1hvy n ASN 205 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1hvy n SER 206 N -2.92 -5.16 -4.37 6.41 7.64 -1.26 -4.97 113.62 108.99 1hvy n SER 206 Ca -0.17 0.46 -0.33 0.00 1.01 0.00 0.00 58.87 59.85 1hvy n SER 206 Cb 0.62 -4.52 -0.14 0.00 -1.01 0.00 0.00 64.21 59.15 1hvy n SER 206 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1hvy s GLU 207 N -3.58 3.37 -0.25 1.43 2.02 -0.41 -1.18 118.70 120.10 1hvy s GLU 207 Ca 0.00 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.18 1hvy s GLU 207 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 1hvy s GLU 207 CO 0.00 0.22 0.23 -1.17 0.02 0.00 0.00 175.26 174.55 1hvy s LEU 208 N 0.34 4.09 0.27 1.80 2.96 0.66 -2.36 118.68 126.44 1hvy s LEU 208 Ca -0.11 0.16 0.10 0.00 -0.22 0.00 0.00 54.13 54.06 1hvy s LEU 208 Cb -0.16 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1hvy s LEU 208 CO 0.06 -0.01 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.60 1hvy s SER 209 N 1.28 4.39 -0.02 3.68 0.01 0.55 0.56 113.70 124.15 1hvy s SER 209 Ca 0.10 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 1hvy s SER 209 Cb -0.15 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.34 1hvy s SER 209 CO 0.07 0.01 0.05 0.00 0.41 0.00 0.00 173.24 173.78 1hvy s GLN 211 N 0.55 2.89 -0.09 0.00 0.74 0.26 -0.03 119.66 123.97 1hvy s GLN 211 Ca -0.04 -0.89 -0.00 0.00 0.05 0.00 0.00 55.36 54.48 1hvy s GLN 211 Cb -0.06 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.76 1hvy s GLN 211 CO -0.02 0.25 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.74 1hvy s LEU 212 N 0.17 3.17 -0.43 3.68 2.96 -0.24 -0.51 118.68 127.48 1hvy s LEU 212 Ca -0.14 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1hvy s LEU 212 Cb -0.17 -1.71 0.09 0.00 0.50 0.00 0.00 46.19 44.90 1hvy s LEU 212 CO 0.07 0.31 0.28 -0.47 -1.32 0.00 0.00 176.35 175.22 1hvy s TYR 213 N -0.48 3.35 -0.48 5.38 6.14 0.23 -0.97 117.35 130.51 1hvy s TYR 213 Ca 0.07 -1.57 -0.17 0.00 0.64 0.00 0.00 57.07 56.04 1hvy s TYR 213 Cb -0.12 -3.06 0.06 0.00 0.42 0.00 0.00 41.96 39.27 1hvy s TYR 213 CO 0.02 -0.87 0.48 -1.14 0.64 0.00 0.00 175.55 174.68 1hvy s GLN 214 N 1.42 3.04 0.44 4.97 0.74 0.11 -1.53 119.66 128.84 1hvy s GLN 214 Ca 0.04 -1.15 0.22 0.00 0.05 0.00 0.00 55.36 54.51 1hvy s GLN 214 Cb -0.24 -4.11 1.03 0.00 1.10 0.00 0.00 33.01 30.79 1hvy s GLN 214 CO 0.02 -1.09 1.90 0.07 -0.55 0.00 0.00 175.29 175.64 1hvy h ARG 215 N 8.84 0.00 -3.13 1.67 -0.00 -1.45 0.30 114.38 120.61 1hvy h ARG 215 Ca -0.28 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.43 1hvy h ARG 215 Cb 1.10 0.00 -0.34 0.00 -0.00 0.00 0.00 29.97 30.73 1hvy h ARG 215 CO 0.91 0.24 -0.62 0.45 -0.00 0.00 0.00 179.97 180.95 1hvy s SER 216 N -6.37 0.42 -0.16 0.08 0.15 -1.23 -0.29 113.70 106.30 1hvy s SER 216 Ca -0.01 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 1hvy s SER 216 Cb 0.12 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1hvy s SER 216 CO 0.64 -0.21 -0.01 -0.83 1.20 0.00 0.00 173.24 174.03 1hvy s GLY 217 N 1.90 0.81 -0.73 9.45 0.00 -0.39 -4.72 107.32 113.63 1hvy s GLY 217 Ca -0.01 -0.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 1hvy s GLY 217 CO -0.06 1.15 1.49 -0.35 0.00 0.00 0.00 173.10 175.33 1hvy s ASP 218 N 1.75 5.88 0.28 1.64 3.68 -1.26 -2.20 116.67 126.44 1hvy s ASP 218 Ca 0.00 -0.31 0.02 0.00 2.13 0.00 0.00 52.55 54.39 1hvy s ASP 218 Cb -0.16 -2.55 0.57 0.00 -1.45 0.00 0.00 42.92 39.33 1hvy s ASP 218 CO -0.07 -2.01 1.82 0.24 0.13 0.00 0.00 175.17 175.28 1hvy h MET 219 N 11.51 0.91 0.20 4.34 2.86 -1.55 -0.90 114.93 132.30 1hvy h MET 219 Ca -0.22 -0.05 -0.31 0.00 -2.06 0.00 0.00 59.70 57.05 1hvy h MET 219 Cb 1.08 -0.21 0.02 0.00 0.06 0.00 0.00 31.60 32.55 1hvy h MET 219 CO 1.27 0.60 -1.40 0.78 1.06 0.00 0.00 176.91 179.23 1hvy h GLY 220 N 0.94 0.48 0.00 8.32 0.00 -1.89 -3.39 103.07 107.52 1hvy h GLY 220 Ca 0.50 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1hvy h GLY 220 CO -0.29 1.07 0.00 -0.10 0.00 0.00 0.00 176.54 177.22 1hvy n LEU 221 N -3.63 0.45 -0.24 3.11 7.94 -1.16 -4.75 117.00 118.72 1hvy n LEU 221 Ca -0.14 0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 54.74 1hvy n LEU 221 Cb 1.07 -0.07 0.07 0.00 0.53 0.00 0.00 43.42 45.01 1hvy n LEU 221 CO 0.57 -0.07 1.13 1.23 -1.11 0.00 0.00 177.39 179.14 1hvy h GLY 222 N 0.00 0.96 0.34 -3.96 0.00 -1.77 -3.33 103.07 95.30 1hvy h GLY 222 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.08 1hvy h GLY 222 CO 0.00 0.28 -0.07 -2.08 0.00 0.00 0.00 176.54 174.68 1hvy h VAL 223 N 0.83 0.67 -0.92 4.60 2.07 -1.37 0.26 116.25 122.39 1hvy h VAL 223 Ca 0.26 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.83 1hvy h VAL 223 Cb -0.01 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1hvy h VAL 223 CO -0.09 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.45 1hvy h PRO 224 N 0.02 1.04 0.22 1.57 0.11 -1.75 0.38 132.00 133.58 1hvy h PRO 224 Ca 0.17 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1hvy h PRO 224 Cb 0.25 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1hvy h PRO 224 CO -0.34 0.69 -0.10 0.35 -0.21 0.00 0.00 178.00 178.38 1hvy h PHE 225 N 1.07 -0.27 -0.70 0.65 3.57 -1.51 -2.98 116.94 116.78 1hvy h PHE 225 Ca 0.39 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.94 1hvy h PHE 225 Cb 0.15 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1hvy h PHE 225 CO -0.00 -0.01 0.40 -0.91 -2.23 0.00 0.00 178.31 175.55 1hvy h ASN 226 N -0.50 0.60 -0.59 0.41 -0.26 0.05 -1.28 115.58 114.02 1hvy h ASN 226 Ca -0.03 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1hvy h ASN 226 Cb 0.38 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.50 1hvy h ASN 226 CO 0.05 0.39 0.32 0.40 -1.06 0.00 0.00 177.43 177.53 1hvy h ILE 227 N 0.74 0.98 -0.68 2.81 2.04 -0.93 -1.95 117.51 120.51 1hvy h ILE 227 Ca 0.31 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 1hvy h ILE 227 Cb 0.18 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1hvy h ILE 227 CO -0.18 0.11 0.11 0.00 0.00 0.00 0.00 178.15 178.19 1hvy h ALA 228 N 1.31 0.90 -0.27 1.87 0.00 -1.27 -2.12 119.26 119.68 1hvy h ALA 228 Ca 0.26 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1hvy h ALA 228 Cb 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1hvy h ALA 228 CO -0.16 0.67 0.10 0.77 0.00 0.00 0.00 179.25 180.64 1hvy h SER 229 N 1.05 0.13 0.61 0.00 0.02 -0.52 0.01 113.55 114.86 1hvy h SER 229 Ca 0.21 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 1hvy h SER 229 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1hvy h SER 229 CO 0.01 0.11 -0.69 1.88 -1.14 0.00 0.00 176.83 177.01 1hvy h TYR 230 N 0.23 0.08 -0.62 3.45 0.05 -1.37 0.11 116.97 118.91 1hvy h TYR 230 Ca 0.11 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 1hvy h TYR 230 Cb 0.07 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1hvy h TYR 230 CO -0.12 0.73 0.03 0.00 -1.05 0.00 0.00 178.16 177.75 1hvy h ALA 231 N 1.26 0.84 -0.22 3.88 0.00 -1.10 -0.60 119.26 123.32 1hvy h ALA 231 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1hvy h ALA 231 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1hvy h ALA 231 CO 0.09 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.29 1hvy h LEU 232 N 0.98 0.34 -1.30 0.00 5.85 -0.76 -1.13 115.31 119.29 1hvy h LEU 232 Ca 0.18 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1hvy h LEU 232 Cb 0.52 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1hvy h LEU 232 CO 0.03 0.51 0.49 0.25 -0.34 0.00 0.00 178.44 179.37 1hvy h LEU 233 N 0.17 0.79 -0.26 2.25 5.85 -0.78 0.14 115.31 123.46 1hvy h LEU 233 Ca 0.07 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1hvy h LEU 233 Cb 0.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1hvy h LEU 233 CO 0.00 0.55 0.00 0.74 -0.34 0.00 0.00 178.44 179.40 1hvy h THR 234 N 0.92 1.25 -0.34 1.05 2.02 -0.76 -0.53 112.91 116.52 1hvy h THR 234 Ca 0.29 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1hvy h THR 234 Cb 0.02 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1hvy h THR 234 CO -0.08 0.28 0.16 1.88 0.37 0.00 0.00 175.52 178.13 1hvy h TYR 235 N 0.24 0.29 0.11 3.16 0.05 -0.52 0.13 116.97 120.42 1hvy h TYR 235 Ca 0.07 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.89 1hvy h TYR 235 Cb 0.41 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.04 1hvy h TYR 235 CO 0.03 0.15 -0.25 0.52 -1.05 0.00 0.00 178.16 177.56 1hvy h MET 236 N 0.33 -0.43 -0.24 4.88 2.86 -0.44 0.40 114.93 122.28 1hvy h MET 236 Ca 0.15 0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1hvy h MET 236 Cb 0.08 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1hvy h MET 236 CO -0.12 -0.29 -0.25 0.82 1.06 0.00 0.00 176.91 178.14 1hvy h ILE 237 N -0.45 1.26 -0.69 -1.22 2.04 -0.93 -2.35 117.51 115.18 1hvy h ILE 237 Ca 0.03 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.56 1hvy h ILE 237 Cb 0.48 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1hvy h ILE 237 CO -0.15 0.40 0.14 0.00 0.00 0.00 0.00 178.15 178.54 1hvy h ALA 238 N 1.33 0.94 0.31 1.87 0.00 -0.46 -1.89 119.26 121.36 1hvy h ALA 238 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1hvy h ALA 238 Cb 0.66 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hvy h ALA 238 CO 0.05 0.67 -0.17 1.25 0.00 0.00 0.00 179.25 181.04 1hvy h HIS 239 N 1.06 -0.45 0.00 0.00 -0.00 -0.53 0.72 115.15 115.95 1hvy h HIS 239 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1hvy h HIS 239 Cb 0.41 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1hvy h HIS 239 CO 0.03 -0.28 0.00 0.44 -0.00 0.00 0.00 177.93 178.13 1hvy n ILE 240 N -5.30 0.65 0.81 6.26 -5.35 -0.92 -2.89 119.36 112.62 1hvy n ILE 240 Ca -0.10 0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.55 1hvy n ILE 240 Cb 0.21 -0.85 0.07 0.00 -1.74 0.00 0.00 39.64 37.33 1hvy n ILE 240 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1hvy n THR 241 N -1.88 0.00 -1.54 7.28 -2.24 -0.72 -4.93 114.28 110.25 1hvy n THR 241 Ca 0.04 -0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 61.30 1hvy n THR 241 Cb 0.28 1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.87 1hvy n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hvy n GLY 242 N 1.11 0.54 3.86 3.38 0.00 -0.50 -4.95 105.19 108.64 1hvy n GLY 242 Ca 0.11 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1hvy n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hvy s LEU 243 N -1.40 3.31 -0.15 0.99 1.43 0.13 -5.04 118.68 117.95 1hvy s LEU 243 Ca 0.00 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1hvy s LEU 243 Cb 0.00 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1hvy s LEU 243 CO 0.00 -0.68 0.00 -0.54 0.23 0.00 0.00 176.35 175.36 1hvy s LYS 244 N -4.12 3.66 0.30 1.70 1.02 -0.33 -4.34 119.74 117.63 1hvy s LYS 244 Ca 0.47 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 1hvy s LYS 244 Cb -0.02 -2.99 -0.12 0.00 -0.52 0.00 0.00 37.83 34.17 1hvy s LYS 244 CO 0.27 0.33 1.41 -2.30 -0.92 0.00 0.00 175.35 174.14 1hvy n PRO 245 N 3.29 2.26 0.00 -1.68 -0.02 -1.26 -0.25 135.00 137.35 1hvy n PRO 245 Ca -0.17 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1hvy n PRO 245 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1hvy n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hvy n GLY 246 N 1.49 0.09 3.20 -1.23 0.00 0.19 -4.20 105.19 104.74 1hvy n GLY 246 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1hvy n GLY 246 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hvy s ASP 247 N -0.05 1.82 -0.25 1.61 -0.00 -1.25 -0.95 116.67 117.61 1hvy s ASP 247 Ca 0.00 -0.69 0.02 0.00 -0.00 0.00 0.00 52.55 51.89 1hvy s ASP 247 Cb 0.00 -0.06 0.05 0.00 -0.00 0.00 0.00 42.92 42.92 1hvy s ASP 247 CO 0.00 -0.10 -0.11 0.12 -0.00 0.00 0.00 175.17 175.08 1hvy s PHE 248 N -1.58 3.08 -0.26 4.23 5.36 0.24 -0.28 117.98 128.78 1hvy s PHE 248 Ca 0.02 -2.16 -0.13 0.00 -0.96 0.00 0.00 56.93 53.70 1hvy s PHE 248 Cb -0.08 -1.88 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1hvy s PHE 248 CO 0.02 -0.85 0.28 0.42 -1.46 0.00 0.00 175.22 173.63 1hvy s ILE 249 N 1.17 5.25 -0.32 3.12 1.09 0.96 -0.37 121.20 132.09 1hvy s ILE 249 Ca -0.07 0.37 -0.13 0.00 -1.10 0.00 0.00 60.65 59.73 1hvy s ILE 249 Cb -0.19 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 1hvy s ILE 249 CO -0.06 0.22 0.24 -2.28 -0.10 0.00 0.00 174.94 172.96 1hvy s HIS 250 N 1.76 3.23 -0.13 3.97 2.46 0.39 -1.08 115.29 125.89 1hvy s HIS 250 Ca 0.11 -0.10 -0.00 0.00 0.47 0.00 0.00 55.06 55.54 1hvy s HIS 250 Cb -0.15 -2.47 -0.02 0.00 -0.13 0.00 0.00 32.58 29.81 1hvy s HIS 250 CO 0.10 -0.31 -0.12 0.99 -2.47 0.00 0.00 174.74 172.93 1hvy s THR 251 N 1.76 3.15 -0.01 0.89 2.01 -0.15 -1.49 115.64 121.80 1hvy s THR 251 Ca 0.07 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1hvy s THR 251 Cb -0.17 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1hvy s THR 251 CO 0.11 0.52 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.70 1hvy s LEU 252 N 0.31 3.00 0.00 4.42 1.43 -0.23 0.04 118.68 127.65 1hvy s LEU 252 Ca -0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1hvy s LEU 252 Cb -0.16 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1hvy s LEU 252 CO 0.05 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1hvy n GLY 253 N 1.78 0.35 3.56 -3.19 0.00 0.11 -2.46 105.19 105.34 1hvy n GLY 253 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1hvy n GLY 253 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hvy s ASP 254 N -1.00 6.08 -0.32 1.61 -1.08 0.60 -1.36 116.67 121.20 1hvy s ASP 254 Ca 0.00 -0.21 -0.14 0.00 -0.52 0.00 0.00 52.55 51.68 1hvy s ASP 254 Cb 0.00 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.88 1hvy s ASP 254 CO 0.00 -1.85 0.31 0.00 0.52 0.00 0.00 175.17 174.15 1hvy s ALA 255 N 6.08 3.51 0.08 3.66 0.00 0.12 -1.26 121.76 133.95 1hvy s ALA 255 Ca 0.42 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1hvy s ALA 255 Cb -0.09 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1hvy s ALA 255 CO 0.18 -0.91 -0.06 -3.38 0.00 0.00 0.00 175.76 171.59 1hvy s HIS 256 N 1.92 0.79 -0.16 0.00 -3.43 -0.94 -0.98 115.29 112.50 1hvy s HIS 256 Ca 0.10 -0.86 0.01 0.00 -0.80 0.00 0.00 55.06 53.51 1hvy s HIS 256 Cb -0.17 -0.47 0.02 0.00 -1.43 0.00 0.00 32.58 30.53 1hvy s HIS 256 CO 0.11 -0.17 -0.17 0.42 -2.00 0.00 0.00 174.74 172.93 1hvy s ILE 257 N -3.26 1.77 0.48 -5.38 1.01 -0.16 -1.20 121.20 114.46 1hvy s ILE 257 Ca 0.07 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.73 1hvy s ILE 257 Cb 0.03 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.80 1hvy s ILE 257 CO -0.05 0.49 1.23 -0.31 0.00 0.00 0.00 174.94 176.30 1hvy s TYR 258 N 1.36 2.71 0.26 3.97 1.51 -1.26 -1.16 117.35 124.74 1hvy s TYR 258 Ca 0.04 1.48 -0.02 0.00 -1.01 0.00 0.00 57.07 57.56 1hvy s TYR 258 Cb -0.13 -3.51 0.53 0.00 -0.11 0.00 0.00 41.96 38.73 1hvy s TYR 258 CO -0.11 -1.92 1.73 -0.07 -1.11 0.00 0.00 175.55 174.07 1hvy h LEU 259 N 1.94 0.36 0.00 -1.29 4.07 -1.60 0.10 115.31 118.89 1hvy h LEU 259 Ca -0.50 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1hvy h LEU 259 Cb 1.26 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1hvy h LEU 259 CO 0.60 0.12 0.00 -0.46 -1.08 0.00 0.00 178.44 177.62 1hvy n ASN 260 N -4.97 0.00 -0.15 -0.43 2.04 -1.26 -2.31 115.26 108.18 1hvy n ASN 260 Ca 0.16 -1.36 0.05 0.00 -0.44 0.00 0.00 54.58 52.99 1hvy n ASN 260 Cb 0.46 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.69 1hvy n ASN 260 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1hvy n HIS 261 N -0.62 0.00 -0.07 -2.53 8.25 0.02 -4.67 115.22 115.60 1hvy n HIS 261 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1hvy n HIS 261 Cb 0.02 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 1hvy n HIS 261 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1hvy h ILE 262 N 0.72 1.07 -0.17 1.59 2.04 -1.44 -0.20 117.51 121.12 1hvy h ILE 262 Ca 0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1hvy h ILE 262 Cb 0.31 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1hvy h ILE 262 CO 0.00 0.07 -0.06 -0.33 0.00 0.00 0.00 178.15 177.83 1hvy h GLU 263 N 0.36 0.35 -0.61 2.37 4.39 -1.83 -0.75 114.58 118.86 1hvy h GLU 263 Ca 0.10 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1hvy h GLU 263 Cb -0.04 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1hvy h GLU 263 CO -0.02 0.63 0.35 -1.35 -1.16 0.00 0.00 179.01 177.46 1hvy h PRO 264 N 0.05 0.65 -0.01 2.33 0.11 -1.82 -1.44 132.00 131.87 1hvy h PRO 264 Ca 0.04 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1hvy h PRO 264 Cb 0.51 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1hvy h PRO 264 CO 0.02 0.43 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.89 1hvy h LEU 265 N 0.67 0.02 -0.81 2.35 3.38 -0.95 -1.04 115.31 118.92 1hvy h LEU 265 Ca 0.26 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1hvy h LEU 265 Cb 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1hvy h LEU 265 CO -0.14 0.29 -0.22 0.11 0.09 0.00 0.00 178.44 178.57 1hvy h LYS 266 N 0.01 0.64 -0.42 1.13 1.57 -0.13 -0.51 116.57 118.86 1hvy h LYS 266 Ca -0.00 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 1hvy h LYS 266 Cb 0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1hvy h LYS 266 CO 0.04 0.82 -0.16 0.82 -0.57 0.00 0.00 179.45 180.40 1hvy h ILE 267 N 0.57 1.28 -0.88 1.86 2.04 -0.59 -3.05 117.51 118.74 1hvy h ILE 267 Ca 0.08 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1hvy h ILE 267 Cb 0.69 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1hvy h ILE 267 CO 0.05 0.43 0.48 -0.61 0.00 0.00 0.00 178.15 178.50 1hvy h GLN 268 N 0.67 1.22 0.00 2.37 4.15 -0.82 -2.19 115.11 120.51 1hvy h GLN 268 Ca 0.10 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1hvy h GLN 268 Cb 0.71 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1hvy h GLN 268 CO 0.05 0.90 0.00 1.28 -1.93 0.00 0.00 178.83 179.13 1hvy n LEU 269 N -4.35 0.22 0.01 -2.39 4.77 -0.24 -1.42 117.00 113.60 1hvy n LEU 269 Ca 0.09 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 1hvy n LEU 269 Cb 0.10 -0.59 0.21 0.00 -2.33 0.00 0.00 43.42 40.81 1hvy n LEU 269 CO 0.39 -0.57 0.40 0.00 -1.33 0.00 0.00 177.39 176.28 1hvy n GLN 270 N -1.78 0.05 -3.32 3.23 6.02 -0.82 -4.90 117.38 115.87 1hvy n GLN 270 Ca 0.01 0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.62 1hvy n GLN 270 Cb 0.07 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 1hvy n GLN 270 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1hvy s ARG 271 N -3.03 4.19 0.11 -1.09 0.52 -0.51 -5.07 118.95 114.07 1hvy s ARG 271 Ca 0.10 0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 55.66 1hvy s ARG 271 Cb 0.17 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 32.27 1hvy s ARG 271 CO 0.71 0.48 0.76 -2.00 0.02 0.00 0.00 175.30 175.27 1hvy s GLU 272 N -0.50 4.51 0.70 3.54 2.12 -1.26 -4.95 118.70 122.87 1hvy s GLU 272 Ca 0.28 1.09 -0.15 0.00 0.36 0.00 0.00 54.97 56.54 1hvy s GLU 272 Cb -0.18 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1hvy s GLU 272 CO 0.15 0.45 1.19 -2.14 -0.54 0.00 0.00 175.26 174.37 1hvy s PRO 273 N -0.66 2.36 0.04 4.30 0.02 -1.26 -4.81 135.00 134.99 1hvy s PRO 273 Ca 0.37 1.71 0.08 0.00 0.02 0.00 0.00 61.00 63.17 1hvy s PRO 273 Cb -0.22 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 1hvy s PRO 273 CO 0.24 -1.65 -0.23 1.03 -0.33 0.00 0.00 177.00 176.06 1hvy s ARG 274 N -3.87 1.94 0.05 5.54 0.52 -1.26 -5.06 118.95 116.82 1hvy s ARG 274 Ca 0.73 -1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 1hvy s ARG 274 Cb -0.28 -2.07 -0.15 0.00 0.52 0.00 0.00 34.95 32.97 1hvy s ARG 274 CO 0.43 0.53 0.72 -2.30 0.02 0.00 0.00 175.30 174.70 1hvy n PRO 275 N 1.75 0.00 -1.77 3.54 -0.02 -1.26 -4.78 135.00 132.46 1hvy n PRO 275 Ca -0.17 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 1hvy n PRO 275 Cb 0.52 -1.07 0.06 0.00 -0.02 0.00 0.00 33.50 32.99 1hvy n PRO 275 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1hvy s PHE 276 N -0.26 2.18 0.29 6.00 0.08 -1.26 -4.80 117.98 120.21 1hvy s PHE 276 Ca 0.66 1.52 -0.05 0.00 0.12 0.00 0.00 56.93 59.18 1hvy s PHE 276 Cb -0.93 -3.58 0.07 0.00 -0.57 0.00 0.00 43.02 38.01 1hvy s PHE 276 CO 0.45 -2.62 0.36 -0.35 -0.10 0.00 0.00 175.22 172.96 1hvy n PRO 277 N -1.98 -0.66 -4.39 0.24 -0.04 -1.25 -4.75 135.00 122.17 1hvy n PRO 277 Ca 0.15 -0.55 -0.23 0.00 -0.04 0.00 0.00 63.50 62.82 1hvy n PRO 277 Cb 0.49 -0.40 -0.11 0.00 -0.04 0.00 0.00 33.50 33.44 1hvy n PRO 277 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1hvy s LYS 278 N -3.78 1.44 -0.17 0.54 1.02 0.20 -1.19 119.74 117.79 1hvy s LYS 278 Ca 0.21 -1.55 -0.00 0.00 0.02 0.00 0.00 55.97 54.65 1hvy s LYS 278 Cb -0.01 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1hvy s LYS 278 CO 0.15 0.31 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.57 1hvy s LEU 279 N -2.94 2.43 -0.14 3.17 2.96 -1.26 -0.42 118.68 122.48 1hvy s LEU 279 Ca 0.21 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1hvy s LEU 279 Cb -0.06 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1hvy s LEU 279 CO 0.09 0.04 -0.02 -0.13 -1.32 0.00 0.00 176.35 175.02 1hvy s ARG 280 N 1.05 3.50 -0.25 1.98 1.81 0.26 -4.97 118.95 122.33 1hvy s ARG 280 Ca -0.01 -0.47 -0.09 0.00 -1.72 0.00 0.00 55.73 53.44 1hvy s ARG 280 Cb -0.15 -2.91 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 1hvy s ARG 280 CO -0.04 0.38 0.12 0.42 -0.68 0.00 0.00 175.30 175.50 1hvy s ILE 281 N -0.00 4.88 -1.53 1.52 1.01 -1.26 -0.98 121.20 124.84 1hvy s ILE 281 Ca 0.02 0.02 0.11 0.00 0.00 0.00 0.00 60.65 60.80 1hvy s ILE 281 Cb -0.13 -3.29 0.40 0.00 0.01 0.00 0.00 42.46 39.46 1hvy s ILE 281 CO 0.02 0.32 1.27 0.18 0.00 0.00 0.00 174.94 176.74 1hvy n LEU 282 N 4.70 2.72 -3.62 2.97 4.77 -0.02 -4.90 117.00 123.63 1hvy n LEU 282 Ca -0.15 -1.37 -0.13 0.00 -0.03 0.00 0.00 56.01 54.33 1hvy n LEU 282 Cb 0.52 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1hvy n LEU 282 CO 0.33 0.53 0.51 -0.60 -1.33 0.00 0.00 177.39 176.82 1hvy s ARG 283 N -1.62 0.78 -0.14 3.23 3.52 -1.26 -5.05 118.95 118.40 1hvy s ARG 283 Ca 0.29 0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 56.40 1hvy s ARG 283 Cb 0.18 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 1hvy s ARG 283 CO 0.16 -0.12 1.59 0.21 -0.81 0.00 0.00 175.30 176.33 1hvy s LYS 284 N 0.13 4.03 -0.04 5.12 2.47 -1.26 -4.99 119.74 125.19 1hvy s LYS 284 Ca -0.00 1.91 0.06 0.00 -1.56 0.00 0.00 55.97 56.38 1hvy s LYS 284 Cb -0.04 -3.98 -0.02 0.00 -1.46 0.00 0.00 37.83 32.33 1hvy s LYS 284 CO 0.00 -1.02 -0.22 0.08 0.16 0.00 0.00 175.35 174.35 1hvy s VAL 285 N 4.47 2.34 -0.09 4.02 1.01 -1.26 -5.03 120.40 125.87 1hvy s VAL 285 Ca 0.70 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.81 1hvy s VAL 285 Cb -0.28 -1.86 -0.16 0.00 0.00 0.00 0.00 36.38 34.08 1hvy s VAL 285 CO 0.27 0.58 0.11 -0.62 0.00 0.00 0.00 175.10 175.45 1hvy n GLU 286 N 2.56 1.55 -5.13 2.72 1.02 -1.26 -4.30 120.64 117.79 1hvy n GLU 286 Ca -0.17 -0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.61 1hvy n GLU 286 Cb 0.52 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.47 1hvy n GLU 286 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1hvy s LYS 287 N -2.47 2.70 0.34 3.49 -0.14 -1.26 -4.89 119.74 117.51 1hvy s LYS 287 Ca -0.06 -0.84 0.06 0.00 -1.36 0.00 0.00 55.97 53.78 1hvy s LYS 287 Cb 0.05 -2.28 0.74 0.00 -1.68 0.00 0.00 37.83 34.66 1hvy s LYS 287 CO 0.50 0.38 1.90 0.97 -0.76 0.00 0.00 175.35 178.34 1hvy h ILE 288 N 5.04 0.92 0.00 2.17 6.09 -1.95 0.76 117.51 130.54 1hvy h ILE 288 Ca -0.32 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1hvy h ILE 288 Cb 1.18 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1hvy h ILE 288 CO 0.49 0.14 0.00 0.47 -3.07 0.00 0.00 178.15 176.18 1hvy n ASP 289 N -4.53 0.42 0.09 2.19 10.43 -1.26 -3.00 116.55 120.88 1hvy n ASP 289 Ca 0.15 0.61 -0.02 0.00 2.57 0.00 0.00 54.79 58.10 1hvy n ASP 289 Cb 0.36 -0.69 -0.05 0.00 1.84 0.00 0.00 41.12 42.58 1hvy n ASP 289 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1hvy h ASP 290 N 0.00 0.00 -2.71 -2.24 3.45 -1.26 -3.47 116.42 110.19 1hvy h ASP 290 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 1hvy h ASP 290 Cb 0.31 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 39.19 1hvy h ASP 290 CO 0.00 0.71 0.22 0.49 -1.57 0.00 0.00 179.24 179.09 1hvy n PHE 291 N -3.23 1.51 -4.25 4.55 3.72 -1.16 -5.00 117.46 113.60 1hvy n PHE 291 Ca -0.01 0.66 -0.18 0.00 -0.05 0.00 0.00 57.45 57.87 1hvy n PHE 291 Cb 0.83 -2.29 -0.11 0.00 -0.94 0.00 0.00 39.48 36.97 1hvy n PHE 291 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1hvy s LYS 292 N -1.66 1.04 0.33 -1.08 -0.14 -1.26 -5.04 119.74 111.93 1hvy s LYS 292 Ca 0.58 -1.24 0.07 0.00 -1.36 0.00 0.00 55.97 54.03 1hvy s LYS 292 Cb -0.66 -0.95 0.77 0.00 -1.68 0.00 0.00 37.83 35.31 1hvy s LYS 292 CO 0.60 0.19 1.84 0.00 -0.76 0.00 0.00 175.35 177.22 1hvy h ALA 293 N 3.55 1.77 0.00 5.17 0.00 -1.95 0.10 119.26 127.90 1hvy h ALA 293 Ca -0.40 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1hvy h ALA 293 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hvy h ALA 293 CO 0.50 -0.05 0.00 -0.85 0.00 0.00 0.00 179.25 178.85 1hvy n GLU 294 N -4.62 0.04 0.00 0.00 0.00 -1.26 -2.57 120.64 112.23 1hvy n GLU 294 Ca 0.19 0.29 0.13 0.00 0.00 0.00 0.00 57.16 57.77 1hvy n GLU 294 Cb 0.49 -1.57 0.72 0.00 0.00 0.00 0.00 31.44 31.09 1hvy n GLU 294 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1hvy n ASP 295 N -1.64 0.00 -4.32 -1.84 10.43 0.36 -4.82 116.55 114.73 1hvy n ASP 295 Ca 0.03 -0.39 -0.27 0.00 2.57 0.00 0.00 54.79 56.74 1hvy n ASP 295 Cb 0.18 -0.18 -0.13 0.00 1.84 0.00 0.00 41.12 42.83 1hvy n ASP 295 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1hvy s PHE 296 N -2.35 2.03 -0.15 1.24 0.40 -1.06 -0.84 117.98 117.25 1hvy s PHE 296 Ca 0.31 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1hvy s PHE 296 Cb 0.18 -1.15 0.07 0.00 0.51 0.00 0.00 43.02 42.63 1hvy s PHE 296 CO 0.37 0.21 0.21 -1.14 0.70 0.00 0.00 175.22 175.57 1hvy s GLN 297 N -1.67 0.13 -0.09 0.44 0.74 -0.15 -4.96 119.66 114.09 1hvy s GLN 297 Ca 0.10 0.45 -0.26 0.00 0.05 0.00 0.00 55.36 55.70 1hvy s GLN 297 Cb -0.10 -0.62 -0.03 0.00 1.10 0.00 0.00 33.01 33.37 1hvy s GLN 297 CO 0.04 -0.45 0.85 0.42 -0.55 0.00 0.00 175.29 175.60 1hvy s ILE 298 N 2.34 4.92 -0.05 -2.34 -1.09 -1.26 -0.58 121.20 123.14 1hvy s ILE 298 Ca 0.04 1.73 0.06 0.00 -2.23 0.00 0.00 60.65 60.26 1hvy s ILE 298 Cb -0.14 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1hvy s ILE 298 CO -0.09 0.13 -0.24 -0.70 -1.23 0.00 0.00 174.94 172.81 1hvy s GLU 299 N 1.42 2.46 -0.63 2.79 2.12 0.44 -4.70 118.70 122.59 1hvy s GLU 299 Ca 0.43 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1hvy s GLU 299 Cb -0.18 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1hvy s GLU 299 CO 0.19 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.76 1hvy n GLY 300 N 2.78 0.15 3.54 -1.50 0.00 -1.26 -0.63 105.19 108.26 1hvy n GLY 300 Ca -0.17 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1hvy n GLY 300 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hvy s TYR 301 N -2.35 2.85 -0.59 1.61 5.04 -1.26 -4.39 117.35 118.26 1hvy s TYR 301 Ca 0.00 0.12 0.06 0.00 -2.44 0.00 0.00 57.07 54.81 1hvy s TYR 301 Cb 0.00 -4.00 0.22 0.00 0.35 0.00 0.00 41.96 38.54 1hvy s TYR 301 CO 0.00 -1.24 0.61 -1.71 -1.34 0.00 0.00 175.55 171.88 1hvy n ASN 302 N 7.29 2.57 -4.86 4.32 5.15 -1.26 -5.10 115.26 123.37 1hvy n ASN 302 Ca 0.03 -3.16 -0.31 0.00 -0.60 0.00 0.00 54.58 50.54 1hvy n ASN 302 Cb 0.48 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 39.03 1hvy n ASN 302 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1hvy s PRO 303 N -1.78 3.81 0.97 1.20 0.04 -1.26 -4.86 135.00 133.11 1hvy s PRO 303 Ca 0.35 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1hvy s PRO 303 Cb 0.10 -2.15 0.17 0.00 0.04 0.00 0.00 34.50 32.66 1hvy s PRO 303 CO -0.08 -0.34 1.09 -1.01 0.04 0.00 0.00 177.00 176.70 1hvy s HIS 304 N -2.77 2.00 0.53 0.56 3.76 0.19 -4.83 115.29 114.73 1hvy s HIS 304 Ca 0.56 1.28 -0.20 0.00 -0.15 0.00 0.00 55.06 56.55 1hvy s HIS 304 Cb -0.10 -3.18 -0.08 0.00 1.11 0.00 0.00 32.58 30.32 1hvy s HIS 304 CO 0.39 -2.82 0.77 -2.30 -0.85 0.00 0.00 174.74 169.93 1hvy n PRO 305 N -4.18 0.82 -1.71 8.40 -0.02 -1.26 -2.90 135.00 134.14 1hvy n PRO 305 Ca 0.07 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.50 1hvy n PRO 305 Cb 0.55 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 32.19 1hvy n PRO 305 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1hvy s THR 306 N -1.53 2.29 -0.18 3.45 -1.32 -1.26 -4.03 115.64 113.06 1hvy s THR 306 Ca 0.69 0.17 0.01 0.00 -1.21 0.00 0.00 61.69 61.35 1hvy s THR 306 Cb -0.47 -2.95 0.04 0.00 -1.51 0.00 0.00 72.50 67.60 1hvy s THR 306 CO 0.53 -0.05 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.15 1hvy s ILE 307 N -1.65 1.54 0.27 5.08 1.01 -1.26 -4.89 121.20 121.30 1hvy s ILE 307 Ca 0.78 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1hvy s ILE 307 Cb -0.33 -1.58 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 1hvy s ILE 307 CO 0.40 0.25 1.22 -0.75 0.00 0.00 0.00 174.94 176.06 1hvy s LYS 308 N 1.46 4.48 -0.22 2.79 2.20 -1.26 -5.02 119.74 124.17 1hvy s LYS 308 Ca 0.01 2.00 -0.04 0.00 -0.36 0.00 0.00 55.97 57.58 1hvy s LYS 308 Cb -0.15 -3.15 0.08 0.00 -1.51 0.00 0.00 37.83 33.10 1hvy s LYS 308 CO -0.09 -0.05 0.14 -1.64 -0.36 0.00 0.00 175.35 173.35 1hvy s MET 309 N -1.17 0.14 0.24 4.03 -1.94 -1.26 -4.91 119.30 114.42 1hvy s MET 309 Ca 0.49 -0.15 -0.30 0.00 -1.71 0.00 0.00 55.69 54.02 1hvy s MET 309 Cb -0.36 -1.45 -0.15 0.00 2.01 0.00 0.00 34.83 34.88 1hvy s MET 309 CO 0.44 -0.79 1.02 0.39 -0.01 0.00 0.00 175.02 176.08 1hvy n GLU 310 N 5.28 1.15 -2.65 2.03 -0.58 -1.26 -4.91 120.64 119.70 1hvy n GLU 310 Ca -0.06 0.41 -0.43 0.00 -0.42 0.00 0.00 57.16 56.66 1hvy n GLU 310 Cb 0.47 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 1hvy n GLU 310 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1hvy s MET 311 N -1.04 4.34 0.60 3.49 -2.45 -1.26 -4.99 119.30 118.00 1hvy s MET 311 Ca 0.65 1.41 -0.19 0.00 -1.25 0.00 0.00 55.69 56.31 1hvy s MET 311 Cb -0.78 -3.59 -0.03 0.00 1.25 0.00 0.00 34.83 31.68 1hvy s MET 311 CO 0.57 -0.47 1.21 0.00 1.05 0.00 0.00 175.02 177.38 1hvy s ALA 312 N 2.57 2.52 0.00 4.11 0.00 -1.26 -5.21 121.76 124.49 1hvy s ALA 312 Ca 0.47 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1hvy s ALA 312 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1hvy s ALA 312 CO 0.13 -1.22 0.00 1.55 0.00 0.00 0.00 175.76 176.22