#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mis n LEU 7 N 0.00 3.40 -4.87 1.09 7.94 -1.26 -4.99 117.00 118.32 3mis n LEU 7 Ca 0.00 0.86 -0.31 0.00 -1.11 0.00 0.00 56.01 55.46 3mis n LEU 7 Cb 0.00 -1.39 -0.01 0.00 0.53 0.00 0.00 43.42 42.55 3mis n LEU 7 CO 0.00 -0.13 0.62 -1.10 -1.11 0.00 0.00 177.39 175.67 3mis s GLN 8 N 4.48 3.73 0.04 1.96 -1.52 -1.26 -4.87 119.66 122.22 3mis s GLN 8 Ca 0.94 0.68 -0.24 0.00 -1.95 0.00 0.00 55.36 54.79 3mis s GLN 8 Cb -0.65 -2.20 -0.13 0.00 -0.22 0.00 0.00 33.01 29.81 3mis s GLN 8 CO 0.49 -0.33 1.36 -1.35 -0.25 0.00 0.00 175.29 175.22 3mis h PRO 9 N 0.42 -0.84 -0.07 2.91 0.11 -1.98 0.69 132.00 133.23 3mis h PRO 9 Ca -0.46 0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.73 3mis h PRO 9 Cb 1.19 0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 3mis h PRO 9 CO 0.62 -0.56 0.10 1.79 -0.21 0.00 0.00 178.00 179.74 3mis h THR 10 N -0.87 0.43 -0.33 -1.15 1.35 -1.98 0.64 112.91 111.00 3mis h THR 10 Ca -0.09 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.62 3mis h THR 10 Cb 0.67 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3mis h THR 10 CO 0.15 0.00 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.69 3mis h GLU 11 N 0.00 0.85 -0.35 4.72 5.08 -1.81 -2.21 114.58 120.86 3mis h GLU 11 Ca 0.04 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 57.79 3mis h GLU 11 Cb 0.23 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3mis h GLU 11 CO -0.00 1.11 -0.32 0.00 -1.00 0.00 0.00 179.01 178.80 3mis h ALA 12 N 0.73 0.78 0.00 3.43 0.00 0.55 -2.69 119.26 122.05 3mis h ALA 12 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3mis h ALA 12 Cb 0.99 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3mis h ALA 12 CO 0.09 0.65 -0.55 0.00 0.00 0.00 0.00 179.25 179.45 3mis h ALA 13 N 0.99 0.96 0.14 0.00 0.00 -0.06 -1.21 119.26 120.08 3mis h ALA 13 Ca 0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3mis h ALA 13 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3mis h ALA 13 CO 0.07 0.69 -0.07 -0.92 0.00 0.00 0.00 179.25 179.02 3mis h TYR 14 N 0.00 -0.18 -0.86 0.00 5.03 -1.34 -1.39 116.97 118.24 3mis h TYR 14 Ca -0.01 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.39 3mis h TYR 14 Cb 1.05 0.06 -0.07 0.00 1.55 0.00 0.00 36.73 39.32 3mis h TYR 14 CO 0.00 0.11 0.51 0.82 -1.32 0.00 0.00 178.16 178.28 3mis h ILE 15 N -0.47 0.94 -0.73 1.81 2.04 -1.35 0.24 117.51 119.99 3mis h ILE 15 Ca -0.02 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3mis h ILE 15 Cb 0.37 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3mis h ILE 15 CO 0.03 0.16 0.33 0.00 0.00 0.00 0.00 178.15 178.67 3mis h ALA 16 N 1.46 0.94 -0.26 1.87 0.00 -1.17 0.42 119.26 122.52 3mis h ALA 16 Ca 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3mis h ALA 16 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3mis h ALA 16 CO -0.24 0.53 0.07 0.78 0.00 0.00 0.00 179.25 180.39 3mis h GLY 17 N 1.03 0.44 0.86 0.00 0.00 0.33 -0.17 103.07 105.56 3mis h GLY 17 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3mis h GLY 17 CO -0.03 0.25 -0.03 -2.75 0.00 0.00 0.00 176.54 173.99 3mis h PHE 18 N 0.25 -0.08 -0.59 5.60 3.57 -0.40 -2.92 116.94 122.36 3mis h PHE 18 Ca 0.08 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.70 3mis h PHE 18 Cb 0.27 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 3mis h PHE 18 CO 0.01 0.09 -0.01 1.25 -2.23 0.00 0.00 178.31 177.41 3mis h LEU 19 N -0.23 -0.29 -2.28 0.59 5.85 -0.09 0.45 115.31 119.30 3mis h LEU 19 Ca -0.01 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3mis h LEU 19 Cb 0.20 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3mis h LEU 19 CO 0.01 -0.12 0.04 0.44 -0.34 0.00 0.00 178.44 178.48 3mis h ASP 20 N 0.10 0.00 0.00 1.25 3.32 -0.92 0.18 116.42 120.35 3mis h ASP 20 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3mis h ASP 20 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3mis h ASP 20 CO -0.52 0.00 -0.40 0.61 -1.72 0.00 0.00 179.24 177.22 3mis n GLY 21 N -1.18 -0.34 1.44 2.75 0.00 0.12 -4.75 105.19 103.23 3mis n GLY 21 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3mis n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mis n ASP 22 N -3.48 4.24 -4.63 1.61 10.43 0.10 -5.00 116.55 119.83 3mis n ASP 22 Ca -0.06 -2.49 -0.31 0.00 2.57 0.00 0.00 54.79 54.51 3mis n ASP 22 Cb 0.21 -0.56 -0.08 0.00 1.84 0.00 0.00 41.12 42.52 3mis n ASP 22 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3mis s GLY 23 N -0.75 2.86 -0.06 0.44 0.00 0.61 -1.38 107.32 109.05 3mis s GLY 23 Ca 0.42 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 44.25 3mis s GLY 23 CO 0.18 -2.11 0.16 -0.45 0.00 0.00 0.00 173.10 170.87 3mis s SER 24 N -3.80 -0.16 -0.20 1.64 0.15 0.70 -4.83 113.70 107.20 3mis s SER 24 Ca 0.14 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.13 3mis s SER 24 Cb 0.03 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 3mis s SER 24 CO 0.07 -0.07 -0.12 -0.63 1.20 0.00 0.00 173.24 173.69 3mis s ILE 25 N 0.27 1.80 0.14 6.45 1.01 -1.26 -0.40 121.20 129.20 3mis s ILE 25 Ca -0.01 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 3mis s ILE 25 Cb -0.03 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.62 3mis s ILE 25 CO -0.01 0.22 0.27 -0.72 0.00 0.00 0.00 174.94 174.70 3mis s TYR 26 N 1.33 0.26 -0.00 3.97 -0.85 -0.65 -4.94 117.35 116.47 3mis s TYR 26 Ca -0.01 -0.64 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 3mis s TYR 26 Cb -0.16 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 3mis s TYR 26 CO -0.09 -0.67 -0.06 0.00 -1.52 0.00 0.00 175.55 173.21 3mis s ALA 27 N -3.92 0.51 0.04 9.51 0.00 -1.26 -1.86 121.76 124.78 3mis s ALA 27 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 3mis s ALA 27 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3mis s ALA 27 CO -0.04 0.11 0.01 -1.59 0.00 0.00 0.00 175.76 174.24 3mis s LYS 28 N -0.27 0.53 -0.40 0.00 -2.85 -0.64 -4.70 119.74 111.42 3mis s LYS 28 Ca 0.01 -0.94 -0.10 0.00 -1.00 0.00 0.00 55.97 53.94 3mis s LYS 28 Cb -0.03 0.19 0.06 0.00 -2.06 0.00 0.00 37.83 35.99 3mis s LYS 28 CO -0.00 -0.11 0.23 -1.17 0.10 0.00 0.00 175.35 174.40 3mis s LEU 29 N -2.35 4.94 -0.13 2.77 2.96 -1.26 -0.53 118.68 125.08 3mis s LEU 29 Ca -0.02 -1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 52.57 3mis s LEU 29 Cb 0.01 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3mis s LEU 29 CO -0.06 -0.47 0.02 -0.70 -1.32 0.00 0.00 176.35 173.82 3mis s GLU 30 N 1.48 3.49 0.27 1.98 2.12 -0.52 -4.98 118.70 122.53 3mis s GLU 30 Ca 0.02 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3mis s GLU 30 Cb -0.21 -2.98 -0.11 0.00 0.26 0.00 0.00 34.13 31.09 3mis s GLU 30 CO 0.04 0.47 1.53 -2.14 -0.54 0.00 0.00 175.26 174.62 3mis s PRO 31 N -0.23 4.19 -0.53 4.30 0.02 -1.26 -1.53 135.00 139.96 3mis s PRO 31 Ca 0.06 2.45 0.05 0.00 0.02 0.00 0.00 61.00 63.58 3mis s PRO 31 Cb -0.12 -3.07 0.18 0.00 0.02 0.00 0.00 34.50 31.52 3mis s PRO 31 CO 0.02 -0.54 0.44 0.54 -0.33 0.00 0.00 177.00 177.13 3mis n ARG 32 N 2.31 1.01 -0.16 5.54 5.12 0.99 -4.81 116.66 126.66 3mis n ARG 32 Ca 0.08 -3.77 0.13 0.00 -1.93 0.00 0.00 57.85 52.36 3mis n ARG 32 Cb 0.39 -1.90 0.48 0.00 -1.16 0.00 0.00 32.46 30.27 3mis n ARG 32 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3mis h PRO 33 N 5.28 0.46 0.00 5.56 0.11 -1.95 -1.10 132.00 140.36 3mis h PRO 33 Ca 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3mis h PRO 33 Cb 0.83 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3mis h PRO 33 CO 0.54 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3mis n ASP 34 N -4.48 0.49 -4.63 -2.05 5.75 -1.26 -4.82 116.55 105.55 3mis n ASP 34 Ca 0.13 0.61 -0.29 0.00 -0.01 0.00 0.00 54.79 55.23 3mis n ASP 34 Cb 0.46 -0.72 0.15 0.00 -1.03 0.00 0.00 41.12 39.98 3mis n ASP 34 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3mis s TYR 35 N -3.20 2.27 0.00 2.11 1.51 -0.42 -5.08 117.35 114.54 3mis s TYR 35 Ca 0.06 0.74 0.00 0.00 -1.01 0.00 0.00 57.07 56.86 3mis s TYR 35 Cb 0.10 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.45 3mis s TYR 35 CO 0.39 -2.47 0.00 0.36 -1.11 0.00 0.00 175.55 172.72 3mis n LYS 36 N -3.80 0.00 0.00 -0.62 0.00 -1.26 -4.87 118.16 107.61 3mis n LYS 36 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3mis n LYS 36 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 3mis n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3mis n ASP 37 N 0.00 0.00 -4.58 -5.58 10.43 -1.26 -4.53 116.55 111.03 3mis n ASP 37 Ca 0.00 0.25 -0.42 0.00 2.57 0.00 0.00 54.79 57.19 3mis n ASP 37 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3mis n ASP 37 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3mis s ILE 38 N -0.50 3.88 -0.54 0.53 1.01 -1.26 -4.92 121.20 119.41 3mis s ILE 38 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 3mis s ILE 38 Cb 0.00 -4.59 0.13 0.00 0.01 0.00 0.00 42.46 38.01 3mis s ILE 38 CO 0.00 -1.28 2.60 0.29 0.00 0.00 0.00 174.94 176.55 3mis n LYS 39 N 8.61 2.46 -3.62 2.79 5.02 -1.26 -4.80 118.16 127.36 3mis n LYS 39 Ca 0.10 -2.58 -0.06 0.00 -2.02 0.00 0.00 58.31 53.75 3mis n LYS 39 Cb 0.49 -2.16 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 3mis n LYS 39 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mis s TYR 40 N -2.23 -0.96 0.08 2.13 1.51 -1.26 -0.00 117.35 116.62 3mis s TYR 40 Ca 0.57 1.69 -0.22 0.00 -1.01 0.00 0.00 57.07 58.10 3mis s TYR 40 Cb 0.39 0.42 -0.07 0.00 -0.11 0.00 0.00 41.96 42.60 3mis s TYR 40 CO -0.26 -0.55 0.66 -1.14 -1.11 0.00 0.00 175.55 173.15 3mis s GLN 41 N 2.69 4.38 -0.28 -0.62 0.74 -0.58 -4.87 119.66 121.11 3mis s GLN 41 Ca -0.01 0.91 -0.21 0.00 0.05 0.00 0.00 55.36 56.09 3mis s GLN 41 Cb -0.12 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 3mis s GLN 41 CO -0.15 0.50 0.66 0.08 -0.55 0.00 0.00 175.29 175.84 3mis s VAL 42 N -0.74 4.93 0.08 1.34 1.01 -1.26 -1.44 120.40 124.32 3mis s VAL 42 Ca 0.33 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 3mis s VAL 42 Cb -0.20 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3mis s VAL 42 CO 0.21 -0.07 0.28 -0.13 0.00 0.00 0.00 175.10 175.39 3mis s ARG 43 N 2.62 3.53 -0.01 2.72 1.81 0.31 -4.96 118.95 124.98 3mis s ARG 43 Ca 0.27 -0.23 0.02 0.00 -1.72 0.00 0.00 55.73 54.06 3mis s ARG 43 Cb -0.15 -2.98 -0.00 0.00 -0.45 0.00 0.00 34.95 31.37 3mis s ARG 43 CO 0.10 0.57 -0.05 -0.51 -0.68 0.00 0.00 175.30 174.72 3mis s LEU 44 N -2.39 1.99 0.08 2.53 1.43 -1.26 -1.61 118.68 119.43 3mis s LEU 44 Ca 0.35 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.09 3mis s LEU 44 Cb -0.13 -0.29 0.07 0.00 0.03 0.00 0.00 46.19 45.88 3mis s LEU 44 CO 0.24 0.06 0.64 0.00 0.23 0.00 0.00 176.35 177.52 3mis s ALA 45 N -0.09 -1.67 0.10 4.21 0.00 -0.78 -2.06 121.76 121.47 3mis s ALA 45 Ca 0.02 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.87 3mis s ALA 45 Cb -0.03 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3mis s ALA 45 CO -0.00 -0.61 -0.19 0.96 0.00 0.00 0.00 175.76 175.91 3mis s ILE 46 N -2.75 1.58 0.02 0.00 -4.36 -1.10 -1.63 121.20 112.96 3mis s ILE 46 Ca -0.04 -1.53 -0.09 0.00 -0.26 0.00 0.00 60.65 58.73 3mis s ILE 46 Cb -0.01 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.23 3mis s ILE 46 CO -0.04 -0.13 0.19 -0.94 0.24 0.00 0.00 174.94 174.26 3mis s SER 47 N -1.95 0.01 -0.02 4.36 1.04 0.46 -0.60 113.70 117.00 3mis s SER 47 Ca 0.05 -0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.29 3mis s SER 47 Cb -0.09 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 3mis s SER 47 CO 0.04 -0.49 -0.25 -0.36 0.98 0.00 0.00 173.24 173.16 3mis s PHE 48 N -2.08 2.23 0.02 5.02 0.40 0.01 -0.21 117.98 123.36 3mis s PHE 48 Ca -0.09 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.87 3mis s PHE 48 Cb -0.03 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 3mis s PHE 48 CO -0.01 -0.05 -0.20 0.42 0.70 0.00 0.00 175.22 176.08 3mis s ILE 49 N -0.55 1.58 -0.00 0.64 1.09 -0.48 -1.47 121.20 122.01 3mis s ILE 49 Ca 0.08 -1.02 -0.28 0.00 -1.10 0.00 0.00 60.65 58.33 3mis s ILE 49 Cb -0.10 -1.34 0.10 0.00 -1.06 0.00 0.00 42.46 40.06 3mis s ILE 49 CO -0.01 0.30 0.87 -1.58 -0.10 0.00 0.00 174.94 174.42 3mis s GLN 50 N -0.85 0.85 0.28 2.79 2.00 0.00 -4.85 119.66 119.88 3mis s GLN 50 Ca 0.07 -0.28 -0.29 0.00 -2.00 0.00 0.00 55.36 52.86 3mis s GLN 50 Cb -0.08 0.39 -0.10 0.00 0.80 0.00 0.00 33.01 34.02 3mis s GLN 50 CO 0.01 -0.36 1.35 0.50 -0.50 0.00 0.00 175.29 176.28 3mis s ARG 51 N -3.03 4.34 0.58 1.67 3.52 -1.26 0.94 118.95 125.71 3mis s ARG 51 Ca 0.04 2.20 0.30 0.00 -0.13 0.00 0.00 55.73 58.14 3mis s ARG 51 Cb -0.01 -3.11 1.44 0.00 -1.56 0.00 0.00 34.95 31.71 3mis s ARG 51 CO -0.08 -0.27 1.84 1.57 -0.81 0.00 0.00 175.30 177.55 3mis h LYS 52 N 4.33 0.00 0.00 5.12 2.10 -1.65 0.10 116.57 126.57 3mis h LYS 52 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3mis h LYS 52 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3mis h LYS 52 CO 0.72 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.77 3mis n ASP 53 N -3.81 0.00 -0.97 7.07 5.75 -1.26 -2.00 116.55 121.34 3mis n ASP 53 Ca 0.12 0.40 0.08 0.00 -0.01 0.00 0.00 54.79 55.39 3mis n ASP 53 Cb 0.83 -0.46 0.26 0.00 -1.03 0.00 0.00 41.12 40.72 3mis n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mis n LYS 54 N -1.46 3.13 -0.26 0.11 5.02 0.36 -4.75 118.16 120.31 3mis n LYS 54 Ca 0.06 -2.72 0.07 0.00 -2.02 0.00 0.00 58.31 53.69 3mis n LYS 54 Cb 0.22 -1.78 0.20 0.00 -0.02 0.00 0.00 35.03 33.65 3mis n LYS 54 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3mis h PHE 55 N 2.16 0.17 -0.20 2.13 3.04 -1.52 -0.29 116.94 122.43 3mis h PHE 55 Ca 0.00 0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.06 3mis h PHE 55 Cb 1.36 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 3mis h PHE 55 CO 0.51 -0.17 0.48 -1.35 -2.02 0.00 0.00 178.31 175.77 3mis h PRO 56 N 0.19 0.00 0.00 6.41 0.11 -1.86 0.60 132.00 137.46 3mis h PRO 56 Ca 0.44 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.46 3mis h PRO 56 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3mis h PRO 56 CO -0.60 0.00 -0.45 1.88 -0.21 0.00 0.00 178.00 178.62 3mis h TYR 57 N 0.00 0.00 0.35 0.65 0.05 -1.43 -1.67 116.97 114.92 3mis h TYR 57 Ca 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 3mis h TYR 57 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 3mis h TYR 57 CO 0.00 0.45 -0.17 -0.07 -1.05 0.00 0.00 178.16 177.32 3mis h LEU 58 N 0.00 -0.40 -0.56 3.88 3.38 0.09 -3.07 115.31 118.62 3mis h LEU 58 Ca -0.00 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.11 3mis h LEU 58 Cb 1.29 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 42.04 3mis h LEU 58 CO 0.06 -0.01 -0.08 1.67 0.09 0.00 0.00 178.44 180.17 3mis n GLN 59 N -4.82 -0.05 0.16 1.13 7.27 -0.79 0.44 117.38 120.72 3mis n GLN 59 Ca -0.06 0.87 -0.13 0.00 0.07 0.00 0.00 57.00 57.75 3mis n GLN 59 Cb 0.19 -1.33 -0.07 0.00 2.41 0.00 0.00 30.24 31.44 3mis n GLN 59 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3mis h ASP 60 N 0.00 -1.11 0.19 1.69 3.45 -1.35 -0.67 116.42 118.62 3mis h ASP 60 Ca 0.30 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3mis h ASP 60 Cb 0.54 0.39 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 3mis h ASP 60 CO -0.56 -0.47 0.00 0.40 -1.57 0.00 0.00 179.24 177.04 3mis h ILE 61 N -0.68 0.00 0.07 0.35 2.04 0.09 0.60 117.51 119.99 3mis h ILE 61 Ca -0.03 -0.08 -0.31 0.00 1.00 0.00 0.00 64.86 65.44 3mis h ILE 61 Cb 0.62 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3mis h ILE 61 CO -0.12 0.00 -1.65 0.22 0.00 0.00 0.00 178.15 176.60 3mis h TYR 62 N 0.00 0.28 0.07 1.37 3.20 -0.87 -3.15 116.97 117.87 3mis h TYR 62 Ca 0.00 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 3mis h TYR 62 Cb 0.09 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3mis h TYR 62 CO 0.00 1.32 -0.04 -0.44 -1.64 0.00 0.00 178.16 177.36 3mis h ASP 63 N 0.04 -0.08 0.03 -2.11 3.32 0.67 0.38 116.42 118.67 3mis h ASP 63 Ca -0.28 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.38 3mis h ASP 63 Cb 2.00 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.57 3mis h ASP 63 CO 0.12 0.36 -0.01 1.56 -1.72 0.00 0.00 179.24 179.56 3mis h GLN 64 N -0.55 0.00 -1.04 3.56 4.20 -1.49 -1.85 115.11 117.95 3mis h GLN 64 Ca -0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 3mis h GLN 64 Cb 0.47 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.04 3mis h GLN 64 CO 0.02 0.01 0.47 1.28 -0.67 0.00 0.00 178.83 179.93 3mis n LEU 65 N -3.58 5.74 -0.18 1.46 4.77 -1.16 -4.37 117.00 119.67 3mis n LEU 65 Ca -0.03 -3.04 -0.02 0.00 -0.03 0.00 0.00 56.01 52.89 3mis n LEU 65 Cb 0.09 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 3mis n LEU 65 CO 0.25 0.93 -0.02 0.61 -1.33 0.00 0.00 177.39 177.83 3mis n GLY 66 N -0.58 0.41 2.83 -0.72 0.00 -0.69 -2.81 105.19 103.63 3mis n GLY 66 Ca 0.41 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 3mis n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mis n LYS 67 N -0.93 -4.45 -3.22 1.61 5.02 0.13 -5.00 118.16 111.31 3mis n LYS 67 Ca -0.02 0.69 -0.38 0.00 -2.02 0.00 0.00 58.31 56.57 3mis n LYS 67 Cb 0.33 -5.13 -0.06 0.00 -0.02 0.00 0.00 35.03 30.15 3mis n LYS 67 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mis s ARG 68 N -5.59 4.23 0.03 1.97 0.52 -1.13 -4.96 118.95 114.03 3mis s ARG 68 Ca 0.29 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 3mis s ARG 68 Cb -0.13 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.17 3mis s ARG 68 CO 0.36 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.68 3mis n GLY 69 N 1.49 -3.36 3.01 -3.53 0.00 -1.26 -4.85 105.19 96.69 3mis n GLY 69 Ca -0.08 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 3mis n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mis s ASN 70 N -1.49 2.95 0.05 1.61 0.01 0.65 -4.97 114.94 113.75 3mis s ASN 70 Ca 0.00 -0.64 -0.26 0.00 -0.71 0.00 0.00 52.86 51.26 3mis s ASN 70 Cb 0.00 -1.20 -0.05 0.00 0.41 0.00 0.00 41.25 40.40 3mis s ASN 70 CO 0.00 -0.09 0.79 -0.76 -1.51 0.00 0.00 177.10 175.53 3mis s LEU 71 N 1.45 4.45 -0.24 0.60 1.43 -1.26 -1.98 118.68 123.12 3mis s LEU 71 Ca 0.03 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 3mis s LEU 71 Cb -0.14 -3.27 0.07 0.00 0.03 0.00 0.00 46.19 42.88 3mis s LEU 71 CO -0.10 -0.01 0.01 -0.60 0.23 0.00 0.00 176.35 175.89 3mis s ARG 72 N 0.02 1.11 0.26 1.70 3.52 0.11 -4.99 118.95 120.69 3mis s ARG 72 Ca 0.40 -0.86 0.22 0.00 -0.13 0.00 0.00 55.73 55.35 3mis s ARG 72 Cb -0.21 -2.34 1.00 0.00 -1.56 0.00 0.00 34.95 31.85 3mis s ARG 72 CO 0.24 -0.71 1.65 1.63 -0.81 0.00 0.00 175.30 177.30 3mis n LYS 73 N 4.81 0.16 -3.15 5.12 5.02 -1.26 -0.69 118.16 128.17 3mis n LYS 73 Ca -0.08 0.50 0.05 0.00 -2.02 0.00 0.00 58.31 56.76 3mis n LYS 73 Cb 0.45 -1.88 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3mis n LYS 73 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3mis s ASP 74 N -4.07 -0.84 0.56 4.39 3.68 -1.26 -4.30 116.67 114.83 3mis s ASP 74 Ca 0.02 0.18 0.30 0.00 2.13 0.00 0.00 52.55 55.17 3mis s ASP 74 Cb 0.08 1.57 1.46 0.00 -1.45 0.00 0.00 42.92 44.58 3mis s ASP 74 CO 0.30 -0.16 1.89 0.03 0.13 0.00 0.00 175.17 177.36 3mis h ARG 75 N 7.63 0.00 0.00 4.34 3.08 -0.89 -3.45 114.38 125.09 3mis h ARG 75 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3mis h ARG 75 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3mis h ARG 75 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3mis n GLY 76 N -1.61 2.74 2.02 0.04 0.00 -1.26 -4.96 105.19 102.16 3mis n GLY 76 Ca 0.13 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3mis n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mis n ASP 77 N 0.00 5.37 0.00 1.61 3.85 -1.26 -4.84 116.55 121.28 3mis n ASP 77 Ca 0.00 -3.32 0.00 0.00 -0.71 0.00 0.00 54.79 50.76 3mis n ASP 77 Cb 0.00 -0.89 0.00 0.00 -1.35 0.00 0.00 41.12 38.88 3mis n ASP 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mis n GLY 78 N -0.51 0.23 3.83 6.12 0.00 -1.26 -4.98 105.19 108.62 3mis n GLY 78 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 3mis n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mis s ILE 79 N -1.60 5.33 0.04 -0.61 -1.09 -1.26 -1.88 121.20 120.13 3mis s ILE 79 Ca 0.00 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.88 3mis s ILE 79 Cb 0.00 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 3mis s ILE 79 CO 0.00 0.56 0.08 0.00 -1.23 0.00 0.00 174.94 174.35 3mis s ALA 80 N -0.73 3.58 0.35 9.38 0.00 0.27 -0.31 121.76 134.30 3mis s ALA 80 Ca 0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3mis s ALA 80 Cb -0.13 -1.51 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 3mis s ALA 80 CO 0.06 0.72 0.46 0.16 0.00 0.00 0.00 175.76 177.16 3mis s ASP 81 N -2.07 1.08 -0.25 0.00 3.84 0.13 -0.82 116.67 118.58 3mis s ASP 81 Ca 0.26 -1.55 -0.03 0.00 -0.00 0.00 0.00 52.55 51.23 3mis s ASP 81 Cb -0.12 0.66 0.14 0.00 -1.38 0.00 0.00 42.92 42.22 3mis s ASP 81 CO 0.18 -1.28 0.43 -0.47 -0.00 0.00 0.00 175.17 174.03 3mis s TYR 82 N -3.04 -0.98 -0.09 2.11 5.04 -0.54 0.09 117.35 119.93 3mis s TYR 82 Ca 0.32 1.16 0.02 0.00 -2.44 0.00 0.00 57.07 56.14 3mis s TYR 82 Cb -0.00 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 3mis s TYR 82 CO 0.22 -0.71 -0.17 0.99 -1.34 0.00 0.00 175.55 174.54 3mis s THR 83 N 2.63 2.74 -0.41 4.34 2.01 -0.84 -0.81 115.64 125.30 3mis s THR 83 Ca 0.11 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 3mis s THR 83 Cb -0.15 -2.10 0.11 0.00 0.01 0.00 0.00 72.50 70.38 3mis s THR 83 CO -0.16 0.55 0.21 -0.63 -0.69 0.00 0.00 174.62 173.90 3mis s ILE 84 N -0.00 3.29 0.65 1.82 1.01 0.23 -0.26 121.20 127.95 3mis s ILE 84 Ca -0.05 -2.08 -0.11 0.00 0.00 0.00 0.00 60.65 58.41 3mis s ILE 84 Cb -0.15 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 3mis s ILE 84 CO 0.05 -0.70 1.04 -0.31 0.00 0.00 0.00 174.94 175.02 3mis s TYR 85 N 1.11 3.46 0.00 3.97 2.02 -1.26 -2.71 117.35 123.93 3mis s TYR 85 Ca 0.09 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 3mis s TYR 85 Cb -0.23 -2.87 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 3mis s TYR 85 CO -0.04 -0.91 0.00 0.41 -1.57 0.00 0.00 175.55 173.44 3mis n GLY 86 N -2.83 -0.75 0.31 0.71 0.00 -0.87 -4.39 105.19 97.36 3mis n GLY 86 Ca 0.06 -1.37 0.18 0.00 0.00 0.00 0.00 46.02 44.90 3mis n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mis h SER 87 N 0.00 0.00 0.49 1.61 4.64 -1.96 -1.24 113.55 117.09 3mis h SER 87 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3mis h SER 87 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mis h SER 87 CO 0.00 0.02 -0.23 0.74 -0.87 0.00 0.00 176.83 176.48 3mis h THR 88 N 0.00 0.00 -0.99 2.95 2.02 -1.99 0.19 112.91 115.09 3mis h THR 88 Ca -0.00 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.70 3mis h THR 88 Cb 0.08 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.43 3mis h THR 88 CO 0.00 0.00 0.65 0.45 0.37 0.00 0.00 175.52 176.99 3mis h HIS 89 N -1.17 1.21 -0.00 3.16 -0.00 -1.74 -3.08 115.15 113.52 3mis h HIS 89 Ca -0.07 0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.08 3mis h HIS 89 Cb 0.50 -0.40 0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3mis h HIS 89 CO 0.00 0.69 -0.99 -0.07 -0.00 0.00 0.00 177.93 177.56 3mis h LEU 90 N 1.24 0.76 -2.42 2.43 4.07 -1.21 0.17 115.31 120.35 3mis h LEU 90 Ca 0.39 -0.61 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 3mis h LEU 90 Cb 0.01 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 3mis h LEU 90 CO -0.12 1.41 -0.03 0.77 -1.08 0.00 0.00 178.44 179.38 3mis h SER 91 N 0.33 0.00 0.27 -0.43 4.64 -0.55 0.33 113.55 118.15 3mis h SER 91 Ca -0.11 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.88 3mis h SER 91 Cb 1.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.70 3mis h SER 91 CO 0.19 0.03 -1.88 -0.38 -0.87 0.00 0.00 176.83 173.92 3mis n ILE 92 N -3.44 1.72 -0.07 0.95 5.41 -0.95 -4.45 119.36 118.54 3mis n ILE 92 Ca -0.02 -0.71 -0.12 0.00 1.00 0.00 0.00 62.75 62.89 3mis n ILE 92 Cb 0.14 -1.47 -0.09 0.00 -0.71 0.00 0.00 39.64 37.51 3mis n ILE 92 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3mis h ILE 93 N 0.05 1.07 -0.84 1.39 2.04 -0.42 -3.38 117.51 117.41 3mis h ILE 93 Ca -0.37 -1.91 0.19 0.00 1.00 0.00 0.00 64.86 63.77 3mis h ILE 93 Cb 2.03 2.13 -0.11 0.00 -0.74 0.00 0.00 36.82 40.12 3mis h ILE 93 CO 0.09 0.36 0.33 -0.07 0.00 0.00 0.00 178.15 178.86 3mis h LEU 94 N -1.00 0.26 -1.47 1.44 3.38 -1.19 -1.72 115.31 115.00 3mis h LEU 94 Ca -0.08 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3mis h LEU 94 Cb 0.81 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3mis h LEU 94 CO -0.05 0.03 -0.14 -0.65 0.09 0.00 0.00 178.44 177.72 3mis h PRO 95 N 0.40 0.17 0.00 1.13 0.11 -1.76 0.82 132.00 132.87 3mis h PRO 95 Ca 0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.54 3mis h PRO 95 Cb 0.87 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mis h PRO 95 CO -0.49 0.32 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.02 3mis h ASP 96 N 0.16 0.00 0.01 -2.05 3.32 -1.49 -3.33 116.42 113.03 3mis h ASP 96 Ca 0.03 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.70 3mis h ASP 96 Cb 0.35 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 3mis h ASP 96 CO 0.02 0.15 -2.45 0.18 -1.72 0.00 0.00 179.24 175.43 3mis n LEU 97 N -3.79 2.75 -0.32 1.55 4.77 0.04 -4.53 117.00 117.47 3mis n LEU 97 Ca -0.02 -0.11 0.17 0.00 -0.03 0.00 0.00 56.01 56.02 3mis n LEU 97 Cb 0.26 -0.82 0.35 0.00 -2.33 0.00 0.00 43.42 40.88 3mis n LEU 97 CO 0.32 0.90 0.93 0.58 -1.33 0.00 0.00 177.39 178.80 3mis h VAL 98 N 0.00 0.18 -0.02 4.08 2.07 -1.05 0.22 116.25 121.72 3mis h VAL 98 Ca -0.57 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3mis h VAL 98 Cb 1.93 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3mis h VAL 98 CO -0.07 0.02 0.02 -0.65 0.02 0.00 0.00 177.57 176.91 3mis h PRO 99 N 0.12 0.00 0.00 1.57 0.11 -1.80 -2.72 132.00 129.29 3mis h PRO 99 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3mis h PRO 99 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3mis h PRO 99 CO -0.75 0.00 -1.91 0.66 -0.21 0.00 0.00 178.00 175.80 3mis n TYR 100 N -4.47 0.03 -1.91 0.65 4.02 0.61 -4.96 117.16 111.13 3mis n TYR 100 Ca -0.02 0.01 -0.38 0.00 -0.01 0.00 0.00 57.90 57.49 3mis n TYR 100 Cb 0.11 -0.48 0.03 0.00 -0.02 0.00 0.00 39.34 38.98 3mis n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3mis s LEU 101 N -4.44 3.88 0.09 7.72 1.43 -0.29 -4.76 118.68 122.30 3mis s LEU 101 Ca -0.07 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3mis s LEU 101 Cb 0.14 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 42.08 3mis s LEU 101 CO 0.90 -1.41 0.00 0.54 0.23 0.00 0.00 176.35 176.61 3mis n ARG 102 N -0.92 0.00 -0.07 1.70 1.74 -1.26 -4.60 116.66 113.25 3mis n ARG 102 Ca 0.10 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 3mis n ARG 102 Cb 0.46 -0.19 0.14 0.00 -1.02 0.00 0.00 32.46 31.85 3mis n ARG 102 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3mis h ILE 103 N 0.00 1.26 -0.21 0.55 2.04 -1.92 -3.11 117.51 116.12 3mis h ILE 103 Ca 0.00 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 3mis h ILE 103 Cb 0.00 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3mis h ILE 103 CO 0.00 0.41 -0.01 0.29 0.00 0.00 0.00 178.15 178.84 3mis n LYS 104 N -4.14 2.45 0.21 2.37 5.02 -1.26 -4.68 118.16 118.12 3mis n LYS 104 Ca 0.01 -2.82 -0.15 0.00 -2.02 0.00 0.00 58.31 53.33 3mis n LYS 104 Cb 0.39 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 3mis n LYS 104 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3mis h LYS 105 N 1.32 -0.48 -0.34 1.97 3.64 -1.79 -2.03 116.57 118.86 3mis h LYS 105 Ca 0.02 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3mis h LYS 105 Cb 1.36 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.21 3mis h LYS 105 CO 0.19 -0.25 -0.32 0.87 -2.27 0.00 0.00 179.45 177.67 3mis h LYS 106 N -0.62 -0.27 -0.80 1.90 1.57 -1.83 0.77 116.57 117.30 3mis h LYS 106 Ca -0.05 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.93 3mis h LYS 106 Cb 0.45 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.71 3mis h LYS 106 CO 0.08 -0.18 0.25 1.96 -0.57 0.00 0.00 179.45 180.99 3mis h GLN 107 N -0.28 0.30 -0.48 3.15 7.50 -1.87 0.11 115.11 123.54 3mis h GLN 107 Ca 0.16 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.21 3mis h GLN 107 Cb 0.54 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.98 3mis h GLN 107 CO -0.50 0.20 -0.01 0.00 -1.50 0.00 0.00 178.83 177.02 3mis h ALA 108 N 1.65 0.65 -0.18 3.87 0.00 -0.24 -0.41 119.26 124.62 3mis h ALA 108 Ca 0.47 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3mis h ALA 108 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3mis h ALA 108 CO -0.53 0.47 -0.12 -0.91 0.00 0.00 0.00 179.25 178.16 3mis h ASN 109 N 0.72 0.27 -0.25 0.00 -0.26 0.94 -2.01 115.58 114.97 3mis h ASN 109 Ca 0.14 -0.05 -0.14 0.00 -0.56 0.00 0.00 56.30 55.68 3mis h ASN 109 Cb 0.53 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 3mis h ASN 109 CO 0.03 0.42 -0.38 0.03 -1.06 0.00 0.00 177.43 176.46 3mis h ARG 110 N 0.27 0.71 -0.56 0.81 2.47 -0.59 -1.76 114.38 115.73 3mis h ARG 110 Ca 0.05 -0.42 0.09 0.00 -1.26 0.00 0.00 59.98 58.44 3mis h ARG 110 Cb 0.38 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.67 3mis h ARG 110 CO 0.02 1.04 0.19 0.82 0.56 0.00 0.00 179.97 182.60 3mis h ILE 111 N 0.44 0.78 -0.44 2.04 1.08 -0.40 0.44 117.51 121.44 3mis h ILE 111 Ca 0.02 -0.12 -0.05 0.00 -0.39 0.00 0.00 64.86 64.32 3mis h ILE 111 Cb 0.97 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3mis h ILE 111 CO 0.09 0.07 0.05 -0.07 -0.69 0.00 0.00 178.15 177.59 3mis h LEU 112 N 0.36 0.65 -0.06 1.44 4.07 -1.37 0.04 115.31 120.45 3mis h LEU 112 Ca 0.28 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 3mis h LEU 112 Cb 0.34 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 3mis h LEU 112 CO -0.29 0.69 0.03 -0.74 -1.08 0.00 0.00 178.44 177.05 3mis h HIS 113 N 0.66 0.07 -0.50 1.13 2.76 -0.26 -0.79 115.15 118.23 3mis h HIS 113 Ca 0.14 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 3mis h HIS 113 Cb 0.34 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.23 3mis h HIS 113 CO 0.02 0.10 0.25 0.82 -1.30 0.00 0.00 177.93 177.82 3mis h ILE 114 N 0.02 0.96 -0.68 6.26 2.04 -0.42 -2.19 117.51 123.51 3mis h ILE 114 Ca 0.02 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.78 3mis h ILE 114 Cb 0.05 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3mis h ILE 114 CO -0.00 0.09 0.45 0.40 0.00 0.00 0.00 178.15 179.09 3mis h ILE 115 N 0.50 1.00 0.00 -0.67 2.04 -0.44 0.26 117.51 120.20 3mis h ILE 115 Ca 0.22 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3mis h ILE 115 Cb 0.12 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3mis h ILE 115 CO -0.15 0.12 -0.10 0.78 0.00 0.00 0.00 178.15 178.80 3mis h ASN 116 N 0.68 0.00 0.00 1.72 4.21 -0.56 -3.24 115.58 118.38 3mis h ASN 116 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 3mis h ASN 116 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 3mis h ASN 116 CO -0.10 0.10 -1.05 0.18 -1.29 0.00 0.00 177.43 175.28 3mis n LEU 117 N -3.13 0.66 0.01 1.61 4.77 -0.84 -4.67 117.00 115.41 3mis n LEU 117 Ca 0.03 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.50 3mis n LEU 117 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3mis n LEU 117 CO 0.35 0.17 0.77 0.22 -1.33 0.00 0.00 177.39 177.56 3mis h TYR 118 N 0.00 0.04 -0.89 -1.77 3.20 -0.54 -3.05 116.97 113.96 3mis h TYR 118 Ca 0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.97 3mis h TYR 118 Cb 0.51 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.64 3mis h TYR 118 CO 0.00 0.26 -0.49 -1.35 -1.64 0.00 0.00 178.16 174.93 3mis h PRO 119 N -0.18 -0.06 -0.00 1.82 0.11 -1.83 0.24 132.00 132.09 3mis h PRO 119 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3mis h PRO 119 Cb 0.24 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3mis h PRO 119 CO 0.00 -0.04 -0.01 1.04 -0.21 0.00 0.00 178.00 178.78 3mis n GLN 120 N -5.36 1.01 0.03 1.05 1.13 -1.24 -3.47 117.38 110.52 3mis n GLN 120 Ca 0.04 -0.14 0.11 0.00 -1.94 0.00 0.00 57.00 55.07 3mis n GLN 120 Cb 0.33 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.19 3mis n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mis n ALA 121 N -0.87 3.39 -0.11 -1.58 0.00 0.82 -4.23 120.51 117.93 3mis n ALA 121 Ca 0.22 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3mis n ALA 121 Cb 0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3mis n ALA 121 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3mis h GLN 122 N 0.00 0.50 -0.10 0.00 5.75 -1.52 -3.24 115.11 116.51 3mis h GLN 122 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3mis h GLN 122 Cb 0.74 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 3mis h GLN 122 CO 0.00 0.45 -0.06 1.63 -2.65 0.00 0.00 178.83 178.20 3mis n LYS 123 N -4.74 1.79 -3.94 1.69 4.01 -1.26 -4.83 118.16 110.88 3mis n LYS 123 Ca -0.01 -2.78 -0.30 0.00 -0.51 0.00 0.00 58.31 54.71 3mis n LYS 123 Cb 0.10 -1.63 -0.14 0.00 -0.51 0.00 0.00 35.03 32.85 3mis n LYS 123 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3mis s ASN 124 N -2.64 4.35 0.56 4.39 3.84 -1.22 -4.98 114.94 119.24 3mis s ASN 124 Ca 0.36 -2.74 0.33 0.00 0.21 0.00 0.00 52.86 51.03 3mis s ASN 124 Cb 0.32 -1.56 1.47 0.00 -0.55 0.00 0.00 41.25 40.93 3mis s ASN 124 CO 0.03 -0.28 1.80 -0.65 -2.79 0.00 0.00 177.10 175.21 3mis h PRO 125 N 6.83 0.00 0.20 0.43 0.11 -1.88 0.29 132.00 137.99 3mis h PRO 125 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3mis h PRO 125 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3mis h PRO 125 CO 0.62 0.00 -0.10 1.03 -0.21 0.00 0.00 178.00 179.35 3mis h SER 126 N 0.00 -0.23 0.29 -2.05 0.87 -1.93 -2.88 113.55 107.63 3mis h SER 126 Ca 0.45 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3mis h SER 126 Cb 1.97 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.99 3mis h SER 126 CO -0.00 0.29 -0.03 0.11 -0.53 0.00 0.00 176.83 176.66 3mis h LYS 127 N -1.02 0.00 -0.01 2.24 1.57 -1.70 -0.95 116.57 116.71 3mis h LYS 127 Ca -0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 3mis h LYS 127 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3mis h LYS 127 CO 0.05 0.03 -0.69 0.35 -0.57 0.00 0.00 179.45 178.62 3mis h PHE 128 N 0.00 0.04 -0.55 -1.35 3.57 -0.48 -2.39 116.94 115.78 3mis h PHE 128 Ca -0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3mis h PHE 128 Cb 0.18 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3mis h PHE 128 CO 0.00 0.71 0.03 -0.07 -2.23 0.00 0.00 178.31 176.75 3mis h LEU 129 N 0.02 0.92 -0.85 0.59 3.38 -0.94 0.59 115.31 119.03 3mis h LEU 129 Ca -0.01 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3mis h LEU 129 Cb 1.22 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3mis h LEU 129 CO 0.09 0.98 0.55 0.44 0.09 0.00 0.00 178.44 180.60 3mis h ASP 130 N 0.83 0.98 0.14 -0.43 3.32 -1.45 -0.74 116.42 119.07 3mis h ASP 130 Ca 0.16 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3mis h ASP 130 Cb 0.49 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3mis h ASP 130 CO 0.02 0.72 -0.07 0.25 -1.72 0.00 0.00 179.24 178.44 3mis h LEU 131 N 1.15 -0.16 -2.60 1.55 6.46 -1.09 -2.34 115.31 118.28 3mis h LEU 131 Ca 0.31 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 3mis h LEU 131 Cb -0.12 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3mis h LEU 131 CO -0.07 -0.11 0.02 0.58 -0.62 0.00 0.00 178.44 178.25 3mis h VAL 132 N -0.20 0.37 -0.11 1.05 2.07 -0.31 -0.91 116.25 118.22 3mis h VAL 132 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3mis h VAL 132 Cb 0.15 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3mis h VAL 132 CO 0.03 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.18 3mis h LYS 133 N 0.00 0.15 0.00 1.57 1.63 -0.59 -2.27 116.57 117.06 3mis h LYS 133 Ca 0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3mis h LYS 133 Cb 0.04 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3mis h LYS 133 CO -0.00 0.19 -0.08 0.82 -3.45 0.00 0.00 179.45 176.93 3mis h ILE 134 N 0.08 0.40 -0.39 2.00 2.04 -1.05 0.10 117.51 120.69 3mis h ILE 134 Ca 0.04 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.36 3mis h ILE 134 Cb 0.08 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3mis h ILE 134 CO -0.01 0.08 -0.23 0.58 0.00 0.00 0.00 178.15 178.57 3mis h VAL 135 N 0.00 1.27 -0.58 1.67 2.07 -1.19 -2.04 116.25 117.45 3mis h VAL 135 Ca -0.00 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3mis h VAL 135 Cb 0.29 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3mis h VAL 135 CO 0.01 0.45 0.07 0.44 0.02 0.00 0.00 177.57 178.56 3mis h ASP 136 N 0.68 0.90 -0.31 0.57 3.32 -0.43 -2.47 116.42 118.68 3mis h ASP 136 Ca 0.09 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3mis h ASP 136 Cb 0.75 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3mis h ASP 136 CO 0.06 0.92 -0.01 -0.78 -1.72 0.00 0.00 179.24 177.71 3mis h ASP 137 N 0.89 0.55 -0.19 6.45 -0.00 -0.73 0.66 116.42 124.04 3mis h ASP 137 Ca 0.18 -0.32 -0.03 0.00 -0.00 0.00 0.00 57.03 56.86 3mis h ASP 137 Cb 0.42 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 3mis h ASP 137 CO 0.01 0.74 0.02 0.58 -0.00 0.00 0.00 179.24 180.59 3mis h VAL 138 N 0.36 1.23 -0.47 2.25 2.07 -1.38 0.36 116.25 120.67 3mis h VAL 138 Ca 0.09 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3mis h VAL 138 Cb 0.46 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3mis h VAL 138 CO 0.02 0.24 0.29 1.56 0.02 0.00 0.00 177.57 179.70 3mis h GLN 139 N 0.10 0.63 -0.76 1.57 4.20 -1.39 -1.75 115.11 117.70 3mis h GLN 139 Ca 0.06 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.83 3mis h GLN 139 Cb 0.34 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 3mis h GLN 139 CO 0.01 0.44 0.38 -0.91 -0.67 0.00 0.00 178.83 178.08 3mis h ASN 140 N 0.62 0.48 -0.77 1.46 -0.26 -0.69 -1.75 115.58 114.68 3mis h ASN 140 Ca 0.17 0.07 0.07 0.00 -0.56 0.00 0.00 56.30 56.05 3mis h ASN 140 Cb -0.03 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.17 3mis h ASN 140 CO -0.03 0.25 0.50 -0.07 -1.06 0.00 0.00 177.43 177.02 3mis h LEU 141 N 0.61 0.69 -2.54 1.61 3.38 -0.05 -1.09 115.31 117.93 3mis h LEU 141 Ca 0.39 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 3mis h LEU 141 Cb 0.47 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 3mis h LEU 141 CO -0.31 0.44 0.18 0.59 0.09 0.00 0.00 178.44 179.43 3mis n ASN 142 N -4.49 3.20 -4.33 -0.43 3.02 -0.66 -4.86 115.26 106.71 3mis n ASN 142 Ca 0.12 -2.44 -0.18 0.00 -0.03 0.00 0.00 54.58 52.05 3mis n ASN 142 Cb 0.25 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 3mis n ASN 142 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mis s LYS 143 N -0.90 1.28 0.44 3.52 1.02 -0.41 -5.04 119.74 119.64 3mis s LYS 143 Ca 0.16 -1.55 -0.22 0.00 0.02 0.00 0.00 55.97 54.38 3mis s LYS 143 Cb 0.13 -1.07 -0.10 0.00 -0.52 0.00 0.00 37.83 36.27 3mis s LYS 143 CO 0.03 0.18 1.00 1.03 -0.92 0.00 0.00 175.35 176.67 3mis s ARG 144 N -3.56 4.10 0.00 1.68 0.52 -1.26 -4.91 118.95 115.52 3mis s ARG 144 Ca 0.21 1.29 0.02 0.00 -0.52 0.00 0.00 55.73 56.72 3mis s ARG 144 Cb -0.01 -2.26 0.10 0.00 0.52 0.00 0.00 34.95 33.30 3mis s ARG 144 CO 0.06 -0.17 0.41 0.00 0.02 0.00 0.00 175.30 175.63 3mis n ALA 145 N -0.56 1.80 0.07 2.13 0.00 -1.26 -2.17 120.51 120.51 3mis n ALA 145 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.52 3mis n ALA 145 Cb 0.52 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.97 3mis n ALA 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mis n ASP 146 N -0.59 1.59 -4.98 0.00 5.75 -1.26 -5.03 116.55 112.04 3mis n ASP 146 Ca 0.01 -1.42 -0.20 0.00 -0.01 0.00 0.00 54.79 53.17 3mis n ASP 146 Cb 0.01 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3mis n ASP 146 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3mis s GLU 147 N -0.51 3.08 0.46 0.11 2.02 -0.92 -5.07 118.70 117.87 3mis s GLU 147 Ca 0.05 -0.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.95 3mis s GLU 147 Cb 0.03 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 3mis s GLU 147 CO 0.04 -0.07 1.36 1.28 0.02 0.00 0.00 175.26 177.89 3mis n LEU 148 N -1.80 4.84 -4.85 1.80 4.32 -1.26 -4.99 117.00 115.06 3mis n LEU 148 Ca 0.01 1.08 -0.37 0.00 -0.02 0.00 0.00 56.01 56.71 3mis n LEU 148 Cb 0.58 -1.56 -0.06 0.00 -1.62 0.00 0.00 43.42 40.76 3mis n LEU 148 CO 0.44 -0.42 -0.10 -0.54 -1.22 0.00 0.00 177.39 175.55 3mis s LYS 149 N -2.47 3.65 0.86 3.23 1.02 -1.26 -5.04 119.74 119.74 3mis s LYS 149 Ca 0.63 0.01 -0.14 0.00 0.02 0.00 0.00 55.97 56.49 3mis s LYS 149 Cb -0.46 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 3mis s LYS 149 CO 0.56 0.70 0.48 0.43 -0.92 0.00 0.00 175.35 176.59 3mis n SER 150 N 2.14 -1.64 -2.30 2.83 7.64 -1.26 -4.96 113.62 116.06 3mis n SER 150 Ca -0.18 0.44 -0.02 0.00 1.01 0.00 0.00 58.87 60.13 3mis n SER 150 Cb 0.54 -1.22 0.06 0.00 -1.01 0.00 0.00 64.21 62.58 3mis n SER 150 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3mis n THR 151 N -3.10 0.35 0.08 0.44 5.66 -1.26 -4.89 114.28 111.56 3mis n THR 151 Ca 0.08 -1.36 -0.00 0.00 -3.05 0.00 0.00 64.05 59.72 3mis n THR 151 Cb 0.52 1.00 0.30 0.00 -1.55 0.00 0.00 70.33 70.60 3mis n THR 151 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 3mis h ASN 152 N 1.27 0.31 -0.25 1.09 2.35 -1.93 0.02 115.58 118.44 3mis h ASN 152 Ca -0.36 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.27 3mis h ASN 152 Cb 1.38 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 3mis h ASN 152 CO -0.07 0.53 0.02 0.22 -1.65 0.00 0.00 177.43 176.48 3mis h TYR 153 N 0.29 0.46 -0.19 1.19 3.20 -1.90 0.10 116.97 120.12 3mis h TYR 153 Ca 0.05 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3mis h TYR 153 Cb 0.54 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3mis h TYR 153 CO 0.01 0.57 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.48 3mis h ASP 154 N 0.21 0.49 0.79 -2.11 5.19 -1.90 -2.14 116.42 116.97 3mis h ASP 154 Ca 0.07 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3mis h ASP 154 Cb 0.38 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3mis h ASP 154 CO 0.01 0.87 0.00 0.03 -3.12 0.00 0.00 179.24 177.03 3mis h ARG 155 N 0.13 0.00 0.00 3.56 3.08 -0.92 -3.01 114.38 117.22 3mis h ARG 155 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3mis h ARG 155 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3mis h ARG 155 CO 0.05 0.00 -2.06 1.28 -1.07 0.00 0.00 179.97 178.17 3mis n LEU 156 N -2.70 0.03 0.05 3.04 4.77 0.34 -3.63 117.00 118.90 3mis n LEU 156 Ca 0.01 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 3mis n LEU 156 Cb 0.25 0.11 0.10 0.00 -2.33 0.00 0.00 43.42 41.55 3mis n LEU 156 CO 0.23 0.11 0.48 0.25 -1.33 0.00 0.00 177.39 177.13 3mis h LEU 157 N 0.00 0.41 0.26 2.23 5.85 -1.26 0.38 115.31 123.19 3mis h LEU 157 Ca -0.13 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3mis h LEU 157 Cb 1.29 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3mis h LEU 157 CO 0.01 0.90 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.55 3mis h GLU 158 N 0.28 -0.34 -0.93 1.25 4.39 -1.72 0.24 114.58 117.76 3mis h GLU 158 Ca -0.00 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.81 3mis h GLU 158 Cb 1.09 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 3mis h GLU 158 CO 0.10 -0.06 0.60 1.49 -1.16 0.00 0.00 179.01 179.98 3mis h GLU 159 N -0.60 0.95 0.44 2.33 4.81 -1.61 0.18 114.58 121.08 3mis h GLU 159 Ca -0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3mis h GLU 159 Cb 0.43 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3mis h GLU 159 CO 0.06 0.63 -0.28 0.74 -0.73 0.00 0.00 179.01 179.42 3mis h PHE 160 N 0.97 -0.75 -0.29 0.92 -1.00 -0.73 -3.24 116.94 112.83 3mis h PHE 160 Ca 0.42 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.25 3mis h PHE 160 Cb 0.34 0.27 -0.05 0.00 3.61 0.00 0.00 35.95 40.12 3mis h PHE 160 CO -0.00 -0.42 -0.03 -0.07 -1.61 0.00 0.00 178.31 176.18 3mis h LEU 161 N -0.68 -0.18 -3.12 1.54 3.38 -0.02 -2.02 115.31 114.22 3mis h LEU 161 Ca -0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mis h LEU 161 Cb 0.55 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3mis h LEU 161 CO 0.05 -0.06 0.00 1.17 0.09 0.00 0.00 178.44 179.70 3mis n LYS 162 N -5.20 0.74 0.00 1.13 4.81 0.58 -2.48 118.16 117.74 3mis n LYS 162 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3mis n LYS 162 Cb 0.16 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.07 3mis n LYS 162 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3mis n ALA 163 N 1.51 0.00 0.00 3.14 0.00 -0.78 -4.94 120.51 119.45 3mis n ALA 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mis n ALA 163 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3mis n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mis n GLY 164 N 0.00 3.05 0.36 0.00 0.00 -1.03 -4.90 105.19 102.66 3mis n GLY 164 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.50 3mis n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mis h LYS 165 N 0.00 0.00 0.00 1.61 6.56 -1.83 -3.48 116.57 119.43 3mis h LYS 165 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3mis h LYS 165 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3mis h LYS 165 CO 0.00 0.00 0.00 1.51 -2.06 0.00 0.00 179.45 178.90