#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brr h ILE 4 N 0.00 0.00 0.00 5.09 2.10 -2.06 -3.43 117.51 119.21 1brr h ILE 4 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1brr h ILE 4 Cb 0.00 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1brr h ILE 4 CO 0.00 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.42 1brr n THR 5 N -3.11 0.00 -3.43 2.19 -2.24 -1.26 -4.43 114.28 102.00 1brr n THR 5 Ca -0.02 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 1brr n THR 5 Cb 0.09 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1brr n THR 5 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1brr s GLY 6 N 0.00 2.42 0.00 3.38 0.00 -1.26 -4.68 107.32 107.18 1brr s GLY 6 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 44.72 41.69 1brr s GLY 6 CO 0.00 1.20 0.00 -2.13 0.00 0.00 0.00 173.10 172.17 1brr n ARG 7 N 4.30 0.00 0.07 2.90 3.00 -1.26 -4.95 116.66 120.72 1brr n ARG 7 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.76 1brr n ARG 7 Cb 0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 32.46 32.79 1brr n ARG 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1brr h PRO 8 N 0.00 -0.20 0.00 -0.14 0.11 -1.97 -3.18 132.00 126.62 1brr h PRO 8 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1brr h PRO 8 Cb 0.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1brr h PRO 8 CO 0.00 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.10 1brr n GLU 9 N -5.01 0.57 -0.26 1.05 0.00 -1.26 -3.96 120.64 111.77 1brr n GLU 9 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.09 1brr n GLU 9 Cb 0.24 -1.01 0.14 0.00 0.00 0.00 0.00 31.44 30.81 1brr n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1brr h TRP 10 N 0.00 0.74 -0.87 -1.84 5.08 -1.92 -1.26 115.95 115.88 1brr h TRP 10 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1brr h TRP 10 Cb 0.00 -0.22 -0.04 0.00 -3.00 0.00 0.00 29.16 25.90 1brr h TRP 10 CO 0.00 0.30 0.56 0.97 -1.28 0.00 0.00 178.44 178.99 1brr h ILE 11 N 0.70 1.23 -0.01 0.12 2.10 -1.85 0.23 117.51 120.03 1brr h ILE 11 Ca 0.36 -0.44 -0.00 0.00 1.08 0.00 0.00 64.86 65.86 1brr h ILE 11 Cb 0.33 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.04 1brr h ILE 11 CO -0.24 0.23 0.00 -0.50 -1.08 0.00 0.00 178.15 176.55 1brr h TRP 12 N 1.18 0.01 -0.88 2.19 -0.00 -1.64 0.88 115.95 117.70 1brr h TRP 12 Ca 0.32 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.23 1brr h TRP 12 Cb -0.11 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.00 1brr h TRP 12 CO -0.01 0.26 0.57 -0.07 -0.00 0.00 0.00 178.44 179.19 1brr h LEU 13 N -0.24 0.95 -0.43 -4.49 3.38 -0.91 0.60 115.31 114.16 1brr h LEU 13 Ca 0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1brr h LEU 13 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1brr h LEU 13 CO 0.00 0.66 -0.53 0.00 0.09 0.00 0.00 178.44 178.65 1brr h ALA 14 N 1.36 0.61 -0.43 1.53 0.00 -0.46 0.71 119.26 122.57 1brr h ALA 14 Ca 0.35 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1brr h ALA 14 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1brr h ALA 14 CO -0.11 0.68 -0.27 1.25 0.00 0.00 0.00 179.25 180.80 1brr h LEU 15 N 0.54 0.97 -0.82 0.00 5.85 -0.16 0.71 115.31 122.40 1brr h LEU 15 Ca 0.02 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1brr h LEU 15 Cb 1.10 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1brr h LEU 15 CO 0.11 1.18 0.18 1.23 -0.34 0.00 0.00 178.44 180.80 1brr h GLY 16 N 0.87 1.14 1.60 3.75 0.00 0.38 -0.41 103.07 110.40 1brr h GLY 16 Ca 0.09 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1brr h GLY 16 CO 0.07 0.64 -0.34 -0.84 0.00 0.00 0.00 176.54 176.07 1brr h THR 17 N 1.02 1.29 0.61 4.70 2.02 -0.55 -2.19 112.91 119.80 1brr h THR 17 Ca 0.22 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1brr h THR 17 Cb 0.33 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1brr h THR 17 CO -0.00 0.45 -0.29 0.00 0.37 0.00 0.00 175.52 176.04 1brr h ALA 18 N 1.25 -0.81 -0.84 6.16 0.00 -0.05 -1.92 119.26 123.05 1brr h ALA 18 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1brr h ALA 18 Cb 0.79 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1brr h ALA 18 CO 0.06 -0.82 0.53 -0.07 0.00 0.00 0.00 179.25 178.96 1brr h LEU 19 N -1.10 0.88 -1.37 0.00 3.38 -1.14 -1.26 115.31 114.71 1brr h LEU 19 Ca -0.08 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1brr h LEU 19 Cb 0.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1brr h LEU 19 CO 0.14 0.60 -0.30 0.24 0.09 0.00 0.00 178.44 179.20 1brr h MET 20 N 1.03 0.03 0.00 1.13 2.86 -1.43 0.12 114.93 118.66 1brr h MET 20 Ca 0.34 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1brr h MET 20 Cb 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1brr h MET 20 CO -0.12 0.33 -0.00 0.78 1.06 0.00 0.00 176.91 178.95 1brr h GLY 21 N 0.92 -0.00 1.02 8.32 0.00 -0.53 -2.90 103.07 109.89 1brr h GLY 21 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1brr h GLY 21 CO 0.04 -0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.14 1brr h LEU 22 N -0.77 0.91 -1.63 3.11 3.38 -1.20 -0.87 115.31 118.24 1brr h LEU 22 Ca -0.00 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1brr h LEU 22 Cb 0.76 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1brr h LEU 22 CO 0.00 0.90 0.33 1.23 0.09 0.00 0.00 178.44 180.99 1brr h GLY 23 N 0.87 0.56 0.21 0.83 0.00 -0.86 0.31 103.07 104.99 1brr h GLY 23 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1brr h GLY 23 CO 0.00 0.15 -0.03 -0.84 0.00 0.00 0.00 176.54 175.82 1brr h THR 24 N 0.47 1.15 -0.97 4.70 2.02 -1.22 -2.45 112.91 116.61 1brr h THR 24 Ca 0.21 -1.54 0.13 0.00 0.77 0.00 0.00 66.41 65.98 1brr h THR 24 Cb 0.25 2.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.63 1brr h THR 24 CO -0.06 0.34 0.61 -0.07 0.37 0.00 0.00 175.52 176.72 1brr h LEU 25 N -0.87 0.84 0.16 2.58 -0.00 -0.78 0.21 115.31 117.46 1brr h LEU 25 Ca -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1brr h LEU 25 Cb 0.62 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1brr h LEU 25 CO 0.01 0.43 -0.12 0.22 -0.00 0.00 0.00 178.44 178.99 1brr h TYR 26 N 0.89 -0.30 0.00 1.13 3.20 -0.43 0.28 116.97 121.74 1brr h TYR 26 Ca 0.49 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.36 1brr h TYR 26 Cb 0.58 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1brr h TYR 26 CO -0.00 -0.18 0.00 0.74 -1.64 0.00 0.00 178.16 177.07 1brr h PHE 27 N -0.28 0.00 0.00 -3.82 0.04 -0.65 -2.48 116.94 109.74 1brr h PHE 27 Ca -0.01 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1brr h PHE 27 Cb 0.25 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1brr h PHE 27 CO -0.10 0.00 -0.62 -0.07 -0.60 0.00 0.00 178.31 176.92 1brr h LEU 28 N 0.00 0.00 -1.79 1.54 3.38 0.24 -3.16 115.31 115.52 1brr h LEU 28 Ca 0.00 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.20 1brr h LEU 28 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1brr h LEU 28 CO 0.00 1.23 0.04 0.52 0.09 0.00 0.00 178.44 180.32 1brr n VAL 29 N -4.53 0.81 0.00 1.22 0.31 0.90 -2.96 118.33 114.09 1brr n VAL 29 Ca -0.21 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1brr n VAL 29 Cb 0.57 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1brr n VAL 29 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1brr n LYS 30 N 0.23 2.45 -0.13 5.55 4.81 -0.95 -4.72 118.16 125.40 1brr n LYS 30 Ca 0.04 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.57 1brr n LYS 30 Cb 0.50 -0.73 0.27 0.00 0.02 0.00 0.00 35.03 35.09 1brr n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1brr n GLY 31 N 1.43 0.46 0.05 3.14 0.00 -1.15 -4.59 105.19 104.53 1brr n GLY 31 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1brr n GLY 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1brr n MET 32 N 0.42 -0.05 0.00 1.61 2.81 -1.25 -4.12 117.12 116.55 1brr n MET 32 Ca 0.14 1.05 0.00 0.00 -1.81 0.00 0.00 57.70 57.08 1brr n MET 32 Cb 0.31 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1brr n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1brr n GLY 33 N -1.03 -1.77 2.20 3.03 0.00 -1.26 -5.00 105.19 101.36 1brr n GLY 33 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1brr n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1brr n VAL 34 N 0.00 -5.64 -0.08 1.61 0.31 -1.26 -5.01 118.33 108.26 1brr n VAL 34 Ca 0.00 1.32 -0.12 0.00 -0.01 0.00 0.00 64.34 65.53 1brr n VAL 34 Cb 0.00 -3.47 -0.08 0.00 -0.91 0.00 0.00 33.84 29.39 1brr n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1brr n SER 35 N 1.96 2.63 -4.62 4.52 7.64 -1.26 -4.98 113.62 119.51 1brr n SER 35 Ca -0.01 -0.08 -0.46 0.00 1.01 0.00 0.00 58.87 59.33 1brr n SER 35 Cb 0.02 -0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 1brr n SER 35 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1brr n ASP 36 N -3.03 3.39 0.24 6.43 2.03 -1.26 -4.86 116.55 119.49 1brr n ASP 36 Ca -0.30 0.65 0.17 0.00 0.52 0.00 0.00 54.79 55.83 1brr n ASP 36 Cb 0.82 -1.45 0.87 0.00 -0.72 0.00 0.00 41.12 40.64 1brr n ASP 36 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1brr h PRO 37 N 11.76 0.00 0.13 -0.67 0.13 -1.95 0.78 132.00 142.19 1brr h PRO 37 Ca -0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.39 1brr h PRO 37 Cb 1.26 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.42 1brr h PRO 37 CO 0.96 0.00 -1.26 0.22 -0.23 0.00 0.00 178.00 177.69 1brr h ASP 38 N 0.00 0.82 1.68 1.44 1.82 -1.89 -3.03 116.42 117.25 1brr h ASP 38 Ca 0.06 -0.77 -0.03 0.00 -0.39 0.00 0.00 57.03 55.90 1brr h ASP 38 Cb 0.41 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 1brr h ASP 38 CO -0.00 1.58 -0.16 0.00 -1.61 0.00 0.00 179.24 179.05 1brr h ALA 39 N 0.32 0.91 -0.27 -0.78 0.00 -1.44 -3.20 119.26 114.80 1brr h ALA 39 Ca -0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1brr h ALA 39 Cb 1.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1brr h ALA 39 CO 0.24 0.20 0.17 -0.22 0.00 0.00 0.00 179.25 179.64 1brr h LYS 40 N 0.00 0.37 -0.24 0.00 3.64 -0.83 -2.42 116.57 117.09 1brr h LYS 40 Ca -0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1brr h LYS 40 Cb 1.04 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1brr h LYS 40 CO 0.02 0.27 -0.11 0.87 -2.27 0.00 0.00 179.45 178.23 1brr h LYS 41 N 0.35 -0.07 -0.91 1.90 1.57 -1.52 -0.95 116.57 116.93 1brr h LYS 41 Ca 0.10 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1brr h LYS 41 Cb -0.00 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1brr h LYS 41 CO -0.02 -0.05 0.60 0.74 -0.57 0.00 0.00 179.45 180.15 1brr h PHE 42 N -0.08 1.10 -0.33 -1.35 0.04 -1.59 0.29 116.94 115.02 1brr h PHE 42 Ca 0.13 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.76 1brr h PHE 42 Cb 0.27 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 1brr h PHE 42 CO -0.29 0.64 -0.44 1.88 -0.60 0.00 0.00 178.31 179.50 1brr h TYR 43 N 1.14 1.08 -0.43 -0.55 -1.99 -0.93 -0.63 116.97 114.66 1brr h TYR 43 Ca 0.36 -0.35 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1brr h TYR 43 Cb 0.02 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.52 1brr h TYR 43 CO -0.00 1.18 0.09 0.00 -0.00 0.00 0.00 178.16 179.43 1brr h ALA 44 N 0.72 0.57 0.06 3.88 0.00 -0.66 -1.51 119.26 122.31 1brr h ALA 44 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1brr h ALA 44 Cb 1.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1brr h ALA 44 CO 0.10 0.26 -0.03 0.82 0.00 0.00 0.00 179.25 180.41 1brr h ILE 45 N 0.56 1.18 0.00 0.00 2.04 -0.95 -3.03 117.51 117.31 1brr h ILE 45 Ca 0.13 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1brr h ILE 45 Cb 0.34 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1brr h ILE 45 CO 0.00 0.21 0.00 0.74 0.00 0.00 0.00 178.15 179.10 1brr h THR 46 N -0.45 0.00 0.09 -0.27 2.02 -1.08 -2.92 112.91 110.30 1brr h THR 46 Ca -0.01 -0.21 -0.34 0.00 0.77 0.00 0.00 66.41 66.62 1brr h THR 46 Cb 0.40 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1brr h THR 46 CO 0.01 0.00 -1.89 0.41 0.37 0.00 0.00 175.52 174.42 1brr n THR 47 N -2.81 1.73 -0.33 3.16 -1.04 -0.57 -4.17 114.28 110.25 1brr n THR 47 Ca -0.01 -0.70 -0.04 0.00 -2.04 0.00 0.00 64.05 61.26 1brr n THR 47 Cb 0.17 -1.51 0.08 0.00 -1.82 0.00 0.00 70.33 67.25 1brr n THR 47 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1brr h LEU 48 N 0.05 1.13 -0.36 -4.42 3.38 -1.39 -2.59 115.31 111.11 1brr h LEU 48 Ca -0.37 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.56 1brr h LEU 48 Cb 2.03 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 42.41 1brr h LEU 48 CO 0.09 0.92 -0.25 0.58 0.09 0.00 0.00 178.44 179.87 1brr h VAL 49 N 1.25 0.35 -0.20 1.22 2.07 -1.70 0.58 116.25 119.82 1brr h VAL 49 Ca 0.31 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.66 1brr h VAL 49 Cb 0.07 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1brr h VAL 49 CO -0.05 0.00 -0.55 -0.65 0.02 0.00 0.00 177.57 176.34 1brr h PRO 50 N -0.20 0.60 -0.51 1.57 0.11 -1.72 -2.52 132.00 129.33 1brr h PRO 50 Ca 0.17 -0.38 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1brr h PRO 50 Cb 0.48 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1brr h PRO 50 CO -0.47 0.99 0.23 0.00 -0.21 0.00 0.00 178.00 178.54 1brr h ALA 51 N 0.93 0.66 -0.61 -0.75 0.00 -0.98 0.14 119.26 118.64 1brr h ALA 51 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1brr h ALA 51 Cb 1.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1brr h ALA 51 CO 0.11 0.24 0.30 0.82 0.00 0.00 0.00 179.25 180.72 1brr h ILE 52 N 0.68 1.21 0.00 0.00 2.04 0.14 -2.08 117.51 119.51 1brr h ILE 52 Ca 0.17 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1brr h ILE 52 Cb 0.15 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1brr h ILE 52 CO -0.02 0.24 -0.30 0.00 0.00 0.00 0.00 178.15 178.07 1brr h ALA 53 N 1.13 1.39 0.19 1.87 0.00 -0.98 -2.23 119.26 120.63 1brr h ALA 53 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1brr h ALA 53 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1brr h ALA 53 CO -0.03 0.38 -0.09 0.35 0.00 0.00 0.00 179.25 179.86 1brr h PHE 54 N 0.00 -0.23 -0.36 0.00 3.57 -0.05 0.49 116.94 120.36 1brr h PHE 54 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1brr h PHE 54 Cb 0.57 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1brr h PHE 54 CO 0.00 -0.00 -0.02 1.15 -2.23 0.00 0.00 178.31 177.21 1brr h THR 55 N -0.44 0.72 -0.27 4.41 2.02 -1.24 -1.35 112.91 116.76 1brr h THR 55 Ca -0.03 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1brr h THR 55 Cb 0.34 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1brr h THR 55 CO 0.04 0.01 -0.32 0.24 0.37 0.00 0.00 175.52 175.86 1brr h MET 56 N 0.08 0.57 -0.46 6.66 2.86 -1.27 -2.65 114.93 120.72 1brr h MET 56 Ca 0.17 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1brr h MET 56 Cb 0.25 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1brr h MET 56 CO -0.31 0.82 -0.16 1.88 1.06 0.00 0.00 176.91 180.20 1brr h TYR 57 N 0.49 1.04 -0.45 -0.22 -1.99 -0.59 -2.90 116.97 112.35 1brr h TYR 57 Ca 0.06 -0.24 0.05 0.00 2.00 0.00 0.00 58.73 60.60 1brr h TYR 57 Cb 0.80 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 39.24 1brr h TYR 57 CO 0.03 1.03 0.18 1.25 -0.00 0.00 0.00 178.16 180.65 1brr h LEU 58 N 0.75 0.21 -1.28 3.88 5.85 -1.11 -0.53 115.31 123.09 1brr h LEU 58 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1brr h LEU 58 Cb 0.73 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1brr h LEU 58 CO 0.06 0.16 0.50 0.77 -0.34 0.00 0.00 178.44 179.59 1brr h SER 59 N 0.36 0.81 -0.33 1.25 4.64 -1.37 0.24 113.55 119.16 1brr h SER 59 Ca 0.21 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 1brr h SER 59 Cb 0.18 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1brr h SER 59 CO -0.19 0.56 -0.13 0.24 -0.87 0.00 0.00 176.83 176.44 1brr h MET 60 N 0.95 0.66 -0.47 4.77 2.86 -1.10 0.01 114.93 122.61 1brr h MET 60 Ca 0.30 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1brr h MET 60 Cb 0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1brr h MET 60 CO -0.09 0.87 -0.02 1.25 1.06 0.00 0.00 176.91 179.98 1brr h LEU 61 N 0.44 0.77 -0.98 1.22 5.85 -0.13 -2.05 115.31 120.43 1brr h LEU 61 Ca 0.08 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1brr h LEU 61 Cb 0.65 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1brr h LEU 61 CO 0.04 0.85 0.00 0.18 -0.34 0.00 0.00 178.44 179.17 1brr n LEU 62 N -4.20 1.42 0.00 2.25 4.77 0.76 -4.92 117.00 117.08 1brr n LEU 62 Ca 0.02 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1brr n LEU 62 Cb 0.31 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1brr n LEU 62 CO 0.42 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1brr n GLY 63 N 0.87 2.63 0.30 -0.72 0.00 -0.77 -4.86 105.19 102.65 1brr n GLY 63 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1brr n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1brr h TYR 64 N 0.00 0.71 -0.11 1.61 3.20 -1.41 -1.94 116.97 119.04 1brr h TYR 64 Ca 0.00 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1brr h TYR 64 Cb 0.00 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1brr h TYR 64 CO 0.00 0.12 0.07 0.41 -1.64 0.00 0.00 178.16 177.12 1brr n GLY 65 N -1.33 2.29 3.23 1.82 0.00 -0.16 -4.79 105.19 106.26 1brr n GLY 65 Ca 0.18 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1brr n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1brr s LEU 66 N -0.35 2.17 0.02 0.99 0.20 -0.73 -3.46 118.68 117.52 1brr s LEU 66 Ca 0.06 -0.51 -0.13 0.00 0.69 0.00 0.00 54.13 54.23 1brr s LEU 66 Cb 0.05 -0.91 0.02 0.00 -0.43 0.00 0.00 46.19 44.92 1brr s LEU 66 CO 0.01 0.14 0.28 0.28 -0.29 0.00 0.00 176.35 176.77 1brr s THR 67 N -0.82 0.07 -0.26 3.68 -1.32 0.13 -4.94 115.64 112.18 1brr s THR 67 Ca 0.06 -0.62 -0.12 0.00 -1.21 0.00 0.00 61.69 59.81 1brr s THR 67 Cb -0.09 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 1brr s THR 67 CO 0.02 -0.34 0.21 -0.32 -2.21 0.00 0.00 174.62 171.98 1brr s MET 68 N -1.94 4.01 -0.17 7.08 1.75 -1.26 0.16 119.30 128.93 1brr s MET 68 Ca -0.09 -0.23 -0.03 0.00 -1.25 0.00 0.00 55.69 54.08 1brr s MET 68 Cb -0.03 -3.61 -0.02 0.00 2.84 0.00 0.00 34.83 34.01 1brr s MET 68 CO 0.00 -0.10 -0.06 0.08 -0.65 0.00 0.00 175.02 174.30 1brr s VAL 69 N 1.52 3.54 -1.27 10.11 1.01 0.30 -4.80 120.40 130.81 1brr s VAL 69 Ca 0.09 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1brr s VAL 69 Cb -0.15 -2.56 0.13 0.00 0.00 0.00 0.00 36.38 33.80 1brr s VAL 69 CO 0.08 0.47 1.67 -0.81 0.00 0.00 0.00 175.10 176.51 1brr n PRO 70 N 4.01 3.31 -4.57 2.72 -0.04 -1.26 0.19 135.00 139.35 1brr n PRO 70 Ca -0.18 -3.52 -0.24 0.00 -0.04 0.00 0.00 63.50 59.53 1brr n PRO 70 Cb 0.52 -3.19 -0.14 0.00 -0.04 0.00 0.00 33.50 30.65 1brr n PRO 70 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1brr s PHE 71 N 2.35 1.63 -0.79 0.54 -0.12 -0.94 -4.77 117.98 115.87 1brr s PHE 71 Ca 0.46 -0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 56.96 1brr s PHE 71 Cb 0.03 -0.97 -0.03 0.00 -0.63 0.00 0.00 43.02 41.42 1brr s PHE 71 CO 0.02 0.07 0.68 0.41 -0.05 0.00 0.00 175.22 176.34 1brr n GLY 72 N 1.92 -0.38 2.29 1.99 0.00 -1.26 -3.40 105.19 106.35 1brr n GLY 72 Ca -0.17 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1brr n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brr n GLY 73 N -1.22 0.09 3.64 -0.02 0.00 -1.26 -4.91 105.19 101.51 1brr n GLY 73 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1brr n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1brr s GLU 74 N -4.38 1.06 0.03 1.61 -1.05 -1.22 -5.14 118.70 109.60 1brr s GLU 74 Ca 0.00 -0.51 -0.22 0.00 -0.15 0.00 0.00 54.97 54.09 1brr s GLU 74 Cb 0.00 0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 34.04 1brr s GLU 74 CO 0.00 -0.48 0.66 -0.65 0.95 0.00 0.00 175.26 175.74 1brr s GLN 75 N -3.25 4.38 -0.05 -4.83 -1.52 -1.26 -2.22 119.66 110.90 1brr s GLN 75 Ca 0.09 0.87 0.05 0.00 -1.95 0.00 0.00 55.36 54.42 1brr s GLN 75 Cb -0.01 -3.34 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 1brr s GLN 75 CO -0.03 0.37 -0.22 -0.80 -0.25 0.00 0.00 175.29 174.35 1brr s ASN 76 N -0.25 2.74 -0.56 5.90 0.01 0.13 -4.87 114.94 118.03 1brr s ASN 76 Ca 0.34 -0.45 -0.27 0.00 -0.71 0.00 0.00 52.86 51.76 1brr s ASN 76 Cb -0.19 -0.75 -0.01 0.00 0.41 0.00 0.00 41.25 40.71 1brr s ASN 76 CO 0.20 0.21 1.72 -2.16 -1.51 0.00 0.00 177.10 175.56 1brr s PRO 77 N -0.10 2.92 -0.15 -0.60 0.04 -1.26 -0.54 135.00 135.31 1brr s PRO 77 Ca -0.04 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1brr s PRO 77 Cb -0.13 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1brr s PRO 77 CO 0.03 -2.39 -0.17 0.42 0.04 0.00 0.00 177.00 174.94 1brr s ILE 78 N 7.87 2.54 -0.83 0.56 -1.09 0.12 -4.92 121.20 125.45 1brr s ILE 78 Ca 0.64 -0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 58.08 1brr s ILE 78 Cb -0.13 -2.06 0.17 0.00 -1.58 0.00 0.00 42.46 38.86 1brr s ILE 78 CO 0.23 0.52 0.89 -0.31 -1.23 0.00 0.00 174.94 175.05 1brr s TYR 79 N 0.79 3.42 0.19 3.97 2.02 -1.26 0.17 117.35 126.65 1brr s TYR 79 Ca -0.06 -1.63 0.28 0.00 -0.37 0.00 0.00 57.07 55.28 1brr s TYR 79 Cb -0.15 -4.02 1.17 0.00 -0.40 0.00 0.00 41.96 38.56 1brr s TYR 79 CO -0.00 -1.21 1.93 0.11 -1.57 0.00 0.00 175.55 174.80 1brr h TRP 80 N 8.36 0.00 -0.28 2.71 5.08 -1.92 -3.19 115.95 126.71 1brr h TRP 80 Ca 0.07 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.12 1brr h TRP 80 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 1brr h TRP 80 CO 1.06 0.14 0.36 0.00 -1.28 0.00 0.00 178.44 178.72 1brr h ALA 81 N 1.86 1.89 -0.50 0.11 0.00 -1.90 -0.13 119.26 120.58 1brr h ALA 81 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1brr h ALA 81 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1brr h ALA 81 CO 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 179.25 178.74 1brr h ARG 82 N 0.00 0.87 -0.00 0.00 3.08 -1.88 -0.84 114.38 115.61 1brr h ARG 82 Ca 0.13 -0.26 -0.18 0.00 0.07 0.00 0.00 59.98 59.74 1brr h ARG 82 Cb 0.84 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1brr h ARG 82 CO -0.00 0.89 -0.82 1.88 -1.07 0.00 0.00 179.97 180.85 1brr h TYR 83 N 0.80 0.16 -0.58 3.04 -1.99 -1.27 0.68 116.97 117.80 1brr h TYR 83 Ca 0.15 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 1brr h TYR 83 Cb 0.52 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1brr h TYR 83 CO 0.03 0.87 0.08 0.00 -0.00 0.00 0.00 178.16 179.15 1brr h ALA 84 N 1.10 0.78 -0.14 3.88 0.00 -1.28 0.76 119.26 124.36 1brr h ALA 84 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1brr h ALA 84 Cb 1.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1brr h ALA 84 CO 0.12 0.54 0.00 -3.47 0.00 0.00 0.00 179.25 176.43 1brr n ASP 85 N -4.31 0.00 -0.33 0.00 -0.08 -0.34 -3.83 116.55 107.66 1brr n ASP 85 Ca 0.03 0.87 0.19 0.00 -1.51 0.00 0.00 54.79 54.37 1brr n ASP 85 Cb 0.28 -0.48 0.40 0.00 2.34 0.00 0.00 41.12 43.66 1brr n ASP 85 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1brr h TRP 86 N 0.00 0.80 -0.92 -0.67 6.55 0.35 -1.37 115.95 120.69 1brr h TRP 86 Ca 0.00 0.04 0.24 0.00 0.95 0.00 0.00 58.89 60.12 1brr h TRP 86 Cb 0.00 -0.20 -0.13 0.00 -0.86 0.00 0.00 29.16 27.97 1brr h TRP 86 CO 0.17 -0.12 0.41 1.25 -1.05 0.00 0.00 178.44 179.11 1brr h LEU 87 N 0.36 0.34 0.01 -4.49 5.85 -0.94 -1.87 115.31 114.58 1brr h LEU 87 Ca 0.66 0.16 -0.37 0.00 0.84 0.00 0.00 57.88 59.17 1brr h LEU 87 Cb 1.40 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 1brr h LEU 87 CO -0.58 -0.03 -2.06 0.49 -0.34 0.00 0.00 178.44 175.92 1brr n PHE 88 N -5.05 0.47 -0.09 1.25 3.72 -0.79 -4.51 117.46 112.46 1brr n PHE 88 Ca 0.24 0.17 -0.06 0.00 -0.05 0.00 0.00 57.45 57.75 1brr n PHE 88 Cb 0.71 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1brr n PHE 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1brr h THR 89 N -0.75 0.44 -0.53 4.37 2.02 -1.14 -3.07 112.91 114.25 1brr h THR 89 Ca -0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1brr h THR 89 Cb 1.60 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1brr h THR 89 CO -0.26 0.00 0.34 0.71 0.37 0.00 0.00 175.52 176.68 1brr h THR 90 N -0.14 1.15 0.00 3.16 1.35 -1.60 -2.43 112.91 114.40 1brr h THR 90 Ca 0.17 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1brr h THR 90 Cb 0.41 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1brr h THR 90 CO -0.43 0.15 -0.00 -0.65 -0.25 0.00 0.00 175.52 174.33 1brr h PRO 91 N 0.72 0.00 -0.09 4.72 0.11 -1.76 -1.52 132.00 134.18 1brr h PRO 91 Ca 0.19 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.13 1brr h PRO 91 Cb -0.05 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.07 1brr h PRO 91 CO -0.04 0.00 -0.61 -0.07 -0.21 0.00 0.00 178.00 177.08 1brr h LEU 92 N 0.00 0.69 -1.27 2.35 3.38 -1.38 -1.37 115.31 117.71 1brr h LEU 92 Ca -0.00 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 1brr h LEU 92 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1brr h LEU 92 CO 0.00 1.25 0.42 -0.07 0.09 0.00 0.00 178.44 180.13 1brr h LEU 93 N 0.19 0.81 -0.69 1.67 -0.00 -1.01 -1.18 115.31 115.10 1brr h LEU 93 Ca -0.05 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 1brr h LEU 93 Cb 1.26 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1brr h LEU 93 CO 0.12 0.61 -0.39 -0.07 -0.00 0.00 0.00 178.44 178.72 1brr h LEU 94 N 0.94 0.00 -0.19 1.67 4.07 -1.35 -2.97 115.31 117.48 1brr h LEU 94 Ca 0.25 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.99 1brr h LEU 94 Cb -0.05 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.69 1brr h LEU 94 CO -0.05 0.39 -0.79 0.25 -1.08 0.00 0.00 178.44 177.16 1brr h LEU 95 N 0.00 0.87 -0.17 1.67 5.85 -0.10 -0.68 115.31 122.74 1brr h LEU 95 Ca -0.00 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.16 1brr h LEU 95 Cb 1.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1brr h LEU 95 CO 0.05 1.37 0.02 0.44 -0.34 0.00 0.00 178.44 179.98 1brr h ASP 96 N 0.49 -0.03 -0.19 1.25 3.32 -1.23 0.15 116.42 120.18 1brr h ASP 96 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1brr h ASP 96 Cb 1.41 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1brr h ASP 96 CO 0.16 0.01 0.12 -0.07 -1.72 0.00 0.00 179.24 177.74 1brr h LEU 97 N 0.08 0.22 0.28 1.55 4.07 -1.47 0.25 115.31 120.30 1brr h LEU 97 Ca 0.08 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1brr h LEU 97 Cb 0.08 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1brr h LEU 97 CO -0.12 0.18 -0.36 0.00 -1.08 0.00 0.00 178.44 177.06 1brr h ALA 98 N 1.05 -0.73 -0.43 1.53 0.00 -0.73 -1.82 119.26 118.12 1brr h ALA 98 Ca 0.07 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1brr h ALA 98 Cb -0.00 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1brr h ALA 98 CO -0.01 -0.96 0.30 -0.07 0.00 0.00 0.00 179.25 178.51 1brr h LEU 99 N -0.70 0.19 -0.50 0.00 4.07 -0.53 0.55 115.31 118.39 1brr h LEU 99 Ca -0.01 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1brr h LEU 99 Cb 0.66 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 1brr h LEU 99 CO -0.11 0.12 -0.51 0.25 -1.08 0.00 0.00 178.44 177.11 1brr h LEU 100 N 0.21 0.70 -2.01 1.67 5.85 -0.27 -3.08 115.31 118.38 1brr h LEU 100 Ca 0.20 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1brr h LEU 100 Cb 0.51 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1brr h LEU 100 CO -0.03 1.08 0.00 0.52 -0.34 0.00 0.00 178.44 179.67 1brr n VAL 101 N -3.99 0.41 -3.84 1.05 0.31 -0.66 -4.96 118.33 106.66 1brr n VAL 101 Ca -0.03 -0.64 -0.24 0.00 -0.01 0.00 0.00 64.34 63.42 1brr n VAL 101 Cb 0.59 0.85 0.01 0.00 -0.91 0.00 0.00 33.84 34.38 1brr n VAL 101 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1brr n ASP 102 N 1.21 -1.07 -4.74 4.52 2.03 0.10 -4.83 116.55 113.76 1brr n ASP 102 Ca 0.18 -0.90 -0.33 0.00 0.52 0.00 0.00 54.79 54.26 1brr n ASP 102 Cb 0.54 -3.57 0.09 0.00 -0.72 0.00 0.00 41.12 37.46 1brr n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1brr s ALA 103 N -3.76 2.19 0.44 -1.67 0.00 -0.78 -4.99 121.76 113.18 1brr s ALA 103 Ca 0.07 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.36 1brr s ALA 103 Cb -0.03 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1brr s ALA 103 CO 0.85 -1.75 1.14 -0.51 0.00 0.00 0.00 175.76 175.49 1brr s ASP 104 N -2.66 6.36 0.66 0.00 1.01 -1.26 -4.89 116.67 115.89 1brr s ASP 104 Ca 0.67 2.24 0.37 0.00 0.71 0.00 0.00 52.55 56.54 1brr s ASP 104 Cb -0.22 -2.60 2.01 0.00 1.01 0.00 0.00 42.92 43.12 1brr s ASP 104 CO 0.48 -0.78 2.13 1.56 0.21 0.00 0.00 175.17 178.77 1brr h GLN 105 N 2.22 0.00 -0.00 8.23 4.20 -1.99 -1.17 115.11 126.60 1brr h GLN 105 Ca -0.49 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 1brr h GLN 105 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1brr h GLN 105 CO 0.61 0.00 -0.00 0.78 -0.67 0.00 0.00 178.83 179.55 1brr h GLY 106 N 0.00 0.00 2.00 3.46 0.00 -2.00 -2.77 103.07 103.76 1brr h GLY 106 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1brr h GLY 106 CO 0.00 0.00 -0.46 -0.91 0.00 0.00 0.00 176.54 175.17 1brr h THR 107 N -0.56 1.20 0.10 4.70 1.35 -1.62 -2.16 112.91 115.92 1brr h THR 107 Ca 0.00 -1.67 -0.01 0.00 -0.55 0.00 0.00 66.41 64.19 1brr h THR 107 Cb 0.57 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1brr h THR 107 CO 0.00 0.46 -0.05 0.40 -0.25 0.00 0.00 175.52 176.08 1brr h ILE 108 N 0.00 1.04 -0.08 6.82 2.04 -1.42 0.11 117.51 126.02 1brr h ILE 108 Ca -0.00 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1brr h ILE 108 Cb 0.90 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1brr h ILE 108 CO 0.06 0.14 0.02 0.25 0.00 0.00 0.00 178.15 178.62 1brr h LEU 109 N -0.40 0.02 -1.11 1.44 5.85 -1.43 0.19 115.31 119.87 1brr h LEU 109 Ca -0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1brr h LEU 109 Cb 0.33 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1brr h LEU 109 CO 0.02 0.03 0.61 0.00 -0.34 0.00 0.00 178.44 178.76 1brr h ALA 110 N 1.05 1.48 0.70 1.25 0.00 -1.36 0.29 119.26 122.67 1brr h ALA 110 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1brr h ALA 110 Cb 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1brr h ALA 110 CO -0.04 0.37 -0.34 1.25 0.00 0.00 0.00 179.25 180.50 1brr h LEU 111 N 1.07 -0.80 -0.44 0.00 5.85 0.05 -1.50 115.31 119.54 1brr h LEU 111 Ca 0.40 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.21 1brr h LEU 111 Cb 0.19 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1brr h LEU 111 CO -0.15 -0.42 0.14 0.58 -0.34 0.00 0.00 178.44 178.24 1brr h VAL 112 N -1.24 0.83 -0.23 1.05 2.07 -0.48 0.11 116.25 118.36 1brr h VAL 112 Ca -0.10 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1brr h VAL 112 Cb 0.72 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1brr h VAL 112 CO 0.16 0.05 -0.17 1.23 0.02 0.00 0.00 177.57 178.86 1brr h GLY 113 N 0.30 -0.01 1.06 2.17 0.00 -0.46 0.13 103.07 106.25 1brr h GLY 113 Ca 0.21 0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.76 1brr h GLY 113 CO -0.23 -0.17 0.63 0.00 0.00 0.00 0.00 176.54 176.77 1brr h ALA 114 N 0.98 1.33 -0.12 3.60 0.00 -0.48 -0.23 119.26 124.35 1brr h ALA 114 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1brr h ALA 114 Cb 0.36 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1brr h ALA 114 CO -0.33 0.62 -0.18 0.22 0.00 0.00 0.00 179.25 179.58 1brr h ASP 115 N 1.28 0.18 -0.47 0.00 3.58 0.34 -0.72 116.42 120.61 1brr h ASP 115 Ca 0.35 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.68 1brr h ASP 115 Cb -0.14 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1brr h ASP 115 CO -0.08 0.38 -0.03 1.23 -2.88 0.00 0.00 179.24 177.86 1brr h GLY 116 N 0.79 0.92 1.02 -0.78 0.00 0.97 -2.63 103.07 103.36 1brr h GLY 116 Ca 0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1brr h GLY 116 CO 0.03 0.64 0.00 -2.22 0.00 0.00 0.00 176.54 174.99 1brr h ILE 117 N 0.70 1.26 -0.03 2.60 2.04 -0.73 -1.53 117.51 121.82 1brr h ILE 117 Ca 0.13 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1brr h ILE 117 Cb 0.55 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1brr h ILE 117 CO 0.03 0.39 -0.34 -0.03 0.00 0.00 0.00 178.15 178.19 1brr h MET 118 N 0.79 -0.46 0.06 2.37 4.05 -0.96 0.17 114.93 120.94 1brr h MET 118 Ca 0.15 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1brr h MET 118 Cb 0.52 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1brr h MET 118 CO 0.03 -0.31 -0.03 0.82 0.23 0.00 0.00 176.91 177.65 1brr h ILE 119 N -0.48 1.23 -0.85 1.77 1.08 -1.51 -2.29 117.51 116.46 1brr h ILE 119 Ca 0.07 -1.10 0.16 0.00 -0.39 0.00 0.00 64.86 63.59 1brr h ILE 119 Cb 0.58 1.94 -0.10 0.00 -3.07 0.00 0.00 36.82 36.17 1brr h ILE 119 CO -0.30 0.27 0.41 1.23 -0.69 0.00 0.00 178.15 179.08 1brr h GLY 120 N -0.59 1.39 0.99 5.37 0.00 -1.18 0.34 103.07 109.38 1brr h GLY 120 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1brr h GLY 120 CO 0.01 -0.09 -0.23 -0.84 0.00 0.00 0.00 176.54 175.39 1brr h THR 121 N 0.55 1.29 -0.56 4.70 2.02 -0.72 -1.66 112.91 118.53 1brr h THR 121 Ca 0.48 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1brr h THR 121 Cb 0.74 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1brr h THR 121 CO -0.40 0.45 0.36 1.23 0.37 0.00 0.00 175.52 177.53 1brr h GLY 122 N 0.52 0.79 0.86 2.16 0.00 -0.46 0.53 103.07 107.48 1brr h GLY 122 Ca 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1brr h GLY 122 CO 0.06 0.26 0.44 -2.00 0.00 0.00 0.00 176.54 175.30 1brr h LEU 123 N 0.72 0.72 -0.39 3.11 5.85 -0.24 0.18 115.31 125.26 1brr h LEU 123 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1brr h LEU 123 Cb -0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1brr h LEU 123 CO -0.07 0.50 0.24 0.58 -0.34 0.00 0.00 178.44 179.35 1brr h VAL 124 N 0.86 1.12 -0.52 1.05 2.07 -0.31 -2.26 116.25 118.25 1brr h VAL 124 Ca 0.29 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1brr h VAL 124 Cb 0.03 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1brr h VAL 124 CO -0.11 0.12 0.18 1.23 0.02 0.00 0.00 177.57 179.00 1brr h GLY 125 N 0.51 0.85 2.00 2.17 0.00 -0.20 -1.98 103.07 106.42 1brr h GLY 125 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1brr h GLY 125 CO -0.03 0.46 -0.04 0.00 0.00 0.00 0.00 176.54 176.93 1brr h ALA 126 N 1.03 1.25 -0.20 3.60 0.00 -0.36 -2.34 119.26 122.25 1brr h ALA 126 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1brr h ALA 126 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1brr h ALA 126 CO -0.01 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1brr n LEU 127 N -3.50 2.57 -4.72 0.00 4.77 -0.88 -4.99 117.00 110.25 1brr n LEU 127 Ca -0.02 -1.45 -0.42 0.00 -0.03 0.00 0.00 56.01 54.09 1brr n LEU 127 Cb 0.16 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1brr n LEU 127 CO 0.26 0.57 0.84 -0.89 -1.33 0.00 0.00 177.39 176.84 1brr s THR 128 N -1.06 4.11 0.07 -5.08 2.01 -0.77 -4.97 115.64 109.94 1brr s THR 128 Ca 0.21 1.56 -0.16 0.00 0.31 0.00 0.00 61.69 63.61 1brr s THR 128 Cb 0.13 -4.00 -0.16 0.00 0.01 0.00 0.00 72.50 68.48 1brr s THR 128 CO 0.18 0.15 1.29 0.11 -0.69 0.00 0.00 174.62 175.65 1brr h LYS 129 N 6.51 0.64 -6.16 4.92 6.56 -1.89 -3.41 116.57 123.74 1brr h LYS 129 Ca -0.42 -0.49 -0.53 0.00 -1.06 0.00 0.00 60.65 58.16 1brr h LYS 129 Cb 1.21 0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 32.89 1brr h LYS 129 CO 0.79 1.11 1.21 0.08 -2.06 0.00 0.00 179.45 180.57 1brr s VAL 130 N -3.82 3.70 0.14 0.50 1.01 -1.26 -4.27 120.40 116.41 1brr s VAL 130 Ca -0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1brr s VAL 130 Cb 0.07 -4.73 0.21 0.00 0.00 0.00 0.00 36.38 31.93 1brr s VAL 130 CO 0.85 -1.66 0.84 0.00 0.00 0.00 0.00 175.10 175.14 1brr n TYR 131 N 10.18 0.14 0.14 5.22 9.36 -1.26 -1.39 117.16 139.54 1brr n TYR 131 Ca 0.19 0.66 -0.14 0.00 3.32 0.00 0.00 57.90 61.94 1brr n TYR 131 Cb 0.50 -0.78 -0.06 0.00 -0.63 0.00 0.00 39.34 38.37 1brr n TYR 131 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1brr h SER 132 N 0.00 -0.97 -1.05 2.98 0.02 -1.97 -2.79 113.55 109.78 1brr h SER 132 Ca 0.24 0.11 0.27 0.00 -0.84 0.00 0.00 61.79 61.57 1brr h SER 132 Cb 0.37 0.36 -0.10 0.00 0.14 0.00 0.00 62.40 63.17 1brr h SER 132 CO -0.55 -0.44 0.67 1.88 -1.14 0.00 0.00 176.83 177.26 1brr h TYR 133 N -0.60 0.67 -1.04 3.45 0.05 -1.65 -1.28 116.97 116.58 1brr h TYR 133 Ca 0.02 0.02 0.29 0.00 0.05 0.00 0.00 58.73 59.11 1brr h TYR 133 Cb 0.61 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.10 1brr h TYR 133 CO -0.28 0.04 0.73 0.00 -1.05 0.00 0.00 178.16 177.61 1brr h ARG 134 N 0.39 0.11 0.02 4.88 3.08 -1.51 0.19 114.38 121.53 1brr h ARG 134 Ca 0.61 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 60.44 1brr h ARG 134 Cb 1.55 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.55 1brr h ARG 134 CO -0.31 0.07 -1.02 0.74 -1.07 0.00 0.00 179.97 178.37 1brr h PHE 135 N 0.11 0.06 -0.32 3.04 0.04 -1.38 -1.82 116.94 116.67 1brr h PHE 135 Ca 0.52 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 61.25 1brr h PHE 135 Cb 1.85 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.98 1brr h PHE 135 CO -0.00 1.03 0.19 0.28 -0.60 0.00 0.00 178.31 179.21 1brr h VAL 136 N 0.01 1.05 -0.21 -0.55 2.07 -0.73 0.87 116.25 118.76 1brr h VAL 136 Ca -0.03 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 1brr h VAL 136 Cb 1.78 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1brr h VAL 136 CO 0.14 0.07 -0.38 -0.50 0.02 0.00 0.00 177.57 176.93 1brr h TRP 137 N 0.39 0.55 -0.45 1.57 4.06 -1.41 -1.68 115.95 118.98 1brr h TRP 137 Ca 0.12 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1brr h TRP 137 Cb -0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 1brr h TRP 137 CO -0.07 0.78 0.18 2.35 -3.56 0.00 0.00 178.44 178.12 1brr h TRP 138 N 0.39 0.68 -0.27 0.49 7.01 -0.68 -0.63 115.95 122.95 1brr h TRP 138 Ca 0.04 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1brr h TRP 138 Cb 0.84 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1brr h TRP 138 CO 0.03 0.58 0.16 0.00 -2.79 0.00 0.00 178.44 176.42 1brr h ALA 139 N 1.03 0.34 -0.73 2.65 0.00 -0.57 0.16 119.26 122.14 1brr h ALA 139 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1brr h ALA 139 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1brr h ALA 139 CO -0.01 -0.14 0.37 0.82 0.00 0.00 0.00 179.25 180.29 1brr h ILE 140 N 0.33 1.22 -0.18 0.00 2.04 -1.19 -0.04 117.51 119.69 1brr h ILE 140 Ca 0.10 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1brr h ILE 140 Cb 0.04 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1brr h ILE 140 CO -0.02 0.26 -0.11 -1.28 0.00 0.00 0.00 178.15 177.00 1brr h SER 141 N 1.03 0.42 -0.84 1.72 0.87 -0.64 -2.53 113.55 113.57 1brr h SER 141 Ca 0.26 -0.43 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1brr h SER 141 Cb 0.07 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 1brr h SER 141 CO -0.04 0.76 0.56 0.74 -0.53 0.00 0.00 176.83 178.32 1brr h THR 142 N 0.08 1.22 -0.87 2.23 2.02 -0.33 -0.19 112.91 117.06 1brr h THR 142 Ca 0.04 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.87 1brr h THR 142 Cb 0.61 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1brr h THR 142 CO 0.03 0.21 0.57 0.00 0.37 0.00 0.00 175.52 176.70 1brr h ALA 143 N 1.31 1.49 -0.39 6.16 0.00 -0.92 0.19 119.26 127.10 1brr h ALA 143 Ca 0.31 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1brr h ALA 143 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1brr h ALA 143 CO -0.07 0.41 -0.28 0.00 0.00 0.00 0.00 179.25 179.31 1brr h ALA 144 N 1.51 0.56 0.04 0.00 0.00 -0.77 -1.78 119.26 118.82 1brr h ALA 144 Ca 0.36 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1brr h ALA 144 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1brr h ALA 144 CO -0.12 0.58 -0.02 1.98 0.00 0.00 0.00 179.25 181.68 1brr h MET 145 N 0.69 -0.05 -0.88 0.00 -1.53 -0.13 -2.20 114.93 110.82 1brr h MET 145 Ca 0.08 0.00 0.16 0.00 -3.44 0.00 0.00 59.70 56.50 1brr h MET 145 Cb 0.86 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.85 1brr h MET 145 CO 0.08 0.11 0.57 -0.07 0.14 0.00 0.00 176.91 177.74 1brr h LEU 146 N -0.20 0.56 -0.36 3.39 3.38 -0.59 0.16 115.31 121.66 1brr h LEU 146 Ca -0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1brr h LEU 146 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1brr h LEU 146 CO 0.01 0.27 -0.17 0.22 0.09 0.00 0.00 178.44 178.86 1brr h TYR 147 N 0.59 0.86 0.25 1.13 3.20 -1.08 -2.70 116.97 119.22 1brr h TYR 147 Ca 0.45 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1brr h TYR 147 Cb 0.87 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1brr h TYR 147 CO -0.00 0.94 -0.12 0.82 -1.64 0.00 0.00 178.16 178.16 1brr h ILE 148 N 0.54 0.79 0.00 1.81 2.04 -0.16 -2.80 117.51 119.72 1brr h ILE 148 Ca 0.08 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1brr h ILE 148 Cb 0.71 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1brr h ILE 148 CO 0.05 0.05 -0.00 -0.07 0.00 0.00 0.00 178.15 178.18 1brr h LEU 149 N -0.45 0.00 0.78 1.44 3.38 -1.01 -2.31 115.31 117.14 1brr h LEU 149 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1brr h LEU 149 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1brr h LEU 149 CO 0.06 0.00 -0.37 0.22 0.09 0.00 0.00 178.44 178.44 1brr h TYR 150 N 0.00 -0.97 -0.05 1.13 3.20 -1.22 0.30 116.97 119.36 1brr h TYR 150 Ca -0.00 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1brr h TYR 150 Cb 0.00 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1brr h TYR 150 CO 0.00 -0.59 0.05 -0.39 -1.64 0.00 0.00 178.16 175.59 1brr h VAL 151 N -1.22 0.65 0.00 1.81 -1.51 -1.33 0.69 116.25 115.35 1brr h VAL 151 Ca -0.11 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.13 1brr h VAL 151 Cb 0.81 0.96 0.02 0.00 -2.13 0.00 0.00 31.29 30.96 1brr h VAL 151 CO 0.18 0.00 -0.90 -0.07 -1.23 0.00 0.00 177.57 175.55 1brr h LEU 152 N 0.00 0.79 0.00 4.19 3.38 -1.09 0.64 115.31 123.23 1brr h LEU 152 Ca 0.02 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1brr h LEU 152 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1brr h LEU 152 CO -0.00 1.43 0.00 0.33 0.09 0.00 0.00 178.44 180.29 1brr n PHE 153 N -3.98 0.00 -0.24 1.13 7.35 0.10 -3.28 117.46 118.54 1brr n PHE 153 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1brr n PHE 153 Cb 0.81 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.47 1brr n PHE 153 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1brr n PHE 154 N -1.27 0.00 0.00 -5.13 3.72 0.23 -3.30 117.46 111.72 1brr n PHE 154 Ca 0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 1brr n PHE 154 Cb 0.00 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 1brr n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1brr n GLY 155 N 1.38 -0.61 0.18 1.37 0.00 -1.10 -4.77 105.19 101.64 1brr n GLY 155 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1brr n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1brr h PHE 156 N 0.00 0.00 0.15 1.61 -1.00 0.32 -3.32 116.94 114.70 1brr h PHE 156 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1brr h PHE 156 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1brr h PHE 156 CO 0.00 0.00 -0.07 1.15 -1.61 0.00 0.00 178.31 177.78 1brr h THR 157 N 0.00 0.96 -0.76 -1.55 2.02 -1.62 -2.17 112.91 109.79 1brr h THR 157 Ca 0.00 -1.04 0.14 0.00 0.77 0.00 0.00 66.41 66.27 1brr h THR 157 Cb 0.93 1.54 -0.09 0.00 -1.74 0.00 0.00 68.15 68.79 1brr h THR 157 CO 0.00 0.22 0.33 0.77 0.37 0.00 0.00 175.52 177.21 1brr h SER 158 N -0.76 0.34 1.10 4.18 4.64 -1.83 0.31 113.55 121.54 1brr h SER 158 Ca -0.02 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1brr h SER 158 Cb 0.52 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1brr h SER 158 CO 0.03 0.14 -0.21 0.50 -0.87 0.00 0.00 176.83 176.43 1brr h LYS 159 N 0.49 0.00 0.06 4.77 3.64 -1.66 -2.81 116.57 121.06 1brr h LYS 159 Ca 0.42 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.55 1brr h LYS 159 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1brr h LYS 159 CO -0.38 0.21 -1.07 0.00 -2.27 0.00 0.00 179.45 175.93 1brr h ALA 160 N 1.79 0.25 0.00 5.00 0.00 0.04 -3.25 119.26 123.10 1brr h ALA 160 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1brr h ALA 160 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1brr h ALA 160 CO 0.03 0.87 0.00 0.39 0.00 0.00 0.00 179.25 180.54 1brr n GLU 161 N -3.66 0.98 0.00 0.00 1.02 0.78 -2.30 120.64 117.45 1brr n GLU 161 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1brr n GLU 161 Cb 0.91 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 1brr n GLU 161 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1brr n SER 162 N 1.20 0.00 0.00 1.62 7.64 -1.23 -5.02 113.62 117.83 1brr n SER 162 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1brr n SER 162 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1brr n SER 162 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1brr n MET 163 N 0.00 0.00 -4.31 1.43 2.81 -0.97 -5.10 117.12 110.98 1brr n MET 163 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1brr n MET 163 Cb 0.32 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.73 1brr n MET 163 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1brr s ARG 164 N 1.15 1.22 0.54 0.03 0.52 -1.26 -4.99 118.95 116.15 1brr s ARG 164 Ca 0.00 -1.52 0.22 0.00 -0.52 0.00 0.00 55.73 53.92 1brr s ARG 164 Cb 0.00 -0.94 1.44 0.00 0.52 0.00 0.00 34.95 35.97 1brr s ARG 164 CO 0.00 0.15 2.11 -1.00 0.02 0.00 0.00 175.30 176.58 1brr h PRO 165 N 2.70 0.00 -0.01 3.54 0.13 -1.99 0.10 132.00 136.48 1brr h PRO 165 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1brr h PRO 165 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1brr h PRO 165 CO 0.62 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.25 1brr h GLU 166 N 0.00 0.06 0.35 0.86 5.08 -1.96 -2.56 114.58 116.41 1brr h GLU 166 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1brr h GLU 166 Cb 0.38 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1brr h GLU 166 CO -0.00 0.74 -0.35 0.28 -1.00 0.00 0.00 179.01 178.68 1brr h VAL 167 N -0.61 0.00 -0.92 3.13 2.07 -1.57 0.43 116.25 118.78 1brr h VAL 167 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1brr h VAL 167 Cb 0.76 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1brr h VAL 167 CO 0.01 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.19 1brr h ALA 168 N -1.16 1.96 0.05 1.67 0.00 -0.92 0.24 119.26 121.11 1brr h ALA 168 Ca -0.04 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1brr h ALA 168 Cb 0.61 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1brr h ALA 168 CO -0.05 -0.25 -1.13 0.66 0.00 0.00 0.00 179.25 178.49 1brr h SER 169 N 0.59 0.87 0.34 0.00 4.64 -1.08 -2.80 113.55 116.12 1brr h SER 169 Ca 0.48 -0.74 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1brr h SER 169 Cb 0.95 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1brr h SER 169 CO -0.23 1.55 -0.17 0.74 -0.87 0.00 0.00 176.83 177.86 1brr h THR 170 N 0.33 0.66 -0.75 2.95 2.02 0.77 -2.84 112.91 116.05 1brr h THR 170 Ca -0.15 -0.45 0.13 0.00 0.77 0.00 0.00 66.41 66.70 1brr h THR 170 Cb 1.79 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 69.00 1brr h THR 170 CO 0.22 0.09 0.33 0.15 0.37 0.00 0.00 175.52 176.67 1brr h PHE 171 N -0.72 0.58 -0.77 3.16 3.57 -1.10 -1.83 116.94 119.83 1brr h PHE 171 Ca -0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1brr h PHE 171 Cb 0.50 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1brr h PHE 171 CO 0.01 0.13 0.50 0.87 -2.23 0.00 0.00 178.31 177.58 1brr h LYS 172 N 0.51 0.96 -0.40 1.11 1.57 -1.44 0.82 116.57 119.69 1brr h LYS 172 Ca 0.40 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1brr h LYS 172 Cb 0.54 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1brr h LYS 172 CO -0.35 0.64 0.17 0.28 -0.57 0.00 0.00 179.45 179.62 1brr h VAL 173 N 0.99 1.19 -0.20 0.50 2.07 -1.11 0.10 116.25 119.79 1brr h VAL 173 Ca 0.30 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1brr h VAL 173 Cb -0.05 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1brr h VAL 173 CO -0.09 0.21 0.03 -0.07 0.02 0.00 0.00 177.57 177.67 1brr h LEU 174 N 0.51 0.32 -1.55 2.57 3.38 -0.94 -0.85 115.31 118.76 1brr h LEU 174 Ca 0.14 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 57.96 1brr h LEU 174 Cb 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1brr h LEU 174 CO -0.01 0.51 0.47 -0.09 0.09 0.00 0.00 178.44 179.40 1brr h ARG 175 N 0.12 0.47 0.07 1.13 2.43 0.92 0.33 114.38 119.85 1brr h ARG 175 Ca 0.06 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1brr h ARG 175 Cb 0.33 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1brr h ARG 175 CO 0.00 0.31 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.83 1brr h ASN 176 N 0.49 -0.08 -0.96 -3.80 2.35 -0.33 -2.41 115.58 110.83 1brr h ASN 176 Ca 0.33 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1brr h ASN 176 Cb 0.64 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 1brr h ASN 176 CO -0.11 0.38 0.62 0.58 -1.65 0.00 0.00 177.43 177.25 1brr h VAL 177 N -0.57 1.25 -0.09 2.81 2.07 0.24 -2.73 116.25 119.24 1brr h VAL 177 Ca -0.01 -0.49 -0.22 0.00 0.82 0.00 0.00 66.70 66.80 1brr h VAL 177 Cb 0.48 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1brr h VAL 177 CO 0.02 0.25 -0.79 0.71 0.02 0.00 0.00 177.57 177.77 1brr h THR 178 N 1.31 1.30 0.00 2.57 1.35 -0.47 -1.38 112.91 117.60 1brr h THR 178 Ca 0.35 -2.03 -0.05 0.00 -0.55 0.00 0.00 66.41 64.13 1brr h THR 178 Cb -0.12 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1brr h THR 178 CO -0.07 0.63 -0.22 0.58 -0.25 0.00 0.00 175.52 176.19 1brr h VAL 179 N 0.38 1.00 0.00 6.82 2.07 -1.39 -0.03 116.25 125.10 1brr h VAL 179 Ca -0.07 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1brr h VAL 179 Cb 1.44 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1brr h VAL 179 CO 0.16 0.21 -0.48 0.58 0.02 0.00 0.00 177.57 178.07 1brr h VAL 180 N 0.00 1.06 -0.25 2.57 2.07 -1.49 -3.23 116.25 116.97 1brr h VAL 180 Ca -0.00 -1.96 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 1brr h VAL 180 Cb 0.42 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1brr h VAL 180 CO 0.03 0.36 0.03 -0.07 0.02 0.00 0.00 177.57 177.94 1brr h LEU 181 N -1.00 0.41 -0.91 2.57 3.38 -1.25 -3.18 115.31 115.32 1brr h LEU 181 Ca -0.12 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1brr h LEU 181 Cb 0.91 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1brr h LEU 181 CO -0.07 0.58 0.60 -0.50 0.09 0.00 0.00 178.44 179.14 1brr h TRP 182 N 0.22 1.13 0.00 1.13 4.06 -1.19 -2.39 115.95 118.92 1brr h TRP 182 Ca 0.08 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1brr h TRP 182 Cb 0.35 -0.38 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1brr h TRP 182 CO 0.02 0.68 0.00 -1.13 -3.56 0.00 0.00 178.44 174.46 1brr n SER 183 N -4.48 0.69 0.10 -3.49 3.41 -1.21 -2.86 113.62 105.78 1brr n SER 183 Ca 0.11 0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 59.35 1brr n SER 183 Cb 0.05 -0.81 0.03 0.00 -0.26 0.00 0.00 64.21 63.22 1brr n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1brr h ALA 184 N 2.27 0.68 -0.35 7.33 0.00 -1.41 -3.35 119.26 124.43 1brr h ALA 184 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 54.91 54.26 1brr h ALA 184 Cb 0.38 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1brr h ALA 184 CO 0.00 1.00 -0.15 1.88 0.00 0.00 0.00 179.25 181.98 1brr h TYR 185 N 0.00 -0.36 0.00 0.00 -1.99 -1.61 -1.13 116.97 111.89 1brr h TYR 185 Ca -0.01 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1brr h TYR 185 Cb 1.42 0.21 -0.00 0.00 2.00 0.00 0.00 36.73 40.36 1brr h TYR 185 CO 0.00 -0.22 -0.03 -1.35 -0.00 0.00 0.00 178.16 176.56 1brr h PRO 186 N -0.08 0.00 -0.04 4.88 0.11 -1.77 -0.88 132.00 134.21 1brr h PRO 186 Ca 0.18 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.13 1brr h PRO 186 Cb 0.35 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.47 1brr h PRO 186 CO -0.41 0.03 -0.58 0.28 -0.21 0.00 0.00 178.00 177.11 1brr h VAL 187 N 0.00 1.39 -0.63 3.15 2.07 -1.46 -1.88 116.25 118.91 1brr h VAL 187 Ca -0.00 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.47 1brr h VAL 187 Cb 0.05 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1brr h VAL 187 CO 0.00 0.58 0.10 0.58 0.02 0.00 0.00 177.57 178.86 1brr h VAL 188 N 0.01 1.26 -0.20 2.57 2.07 -0.69 -2.16 116.25 119.11 1brr h VAL 188 Ca -0.06 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1brr h VAL 188 Cb 1.26 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1brr h VAL 188 CO 0.12 0.38 0.05 -0.25 0.02 0.00 0.00 177.57 177.88 1brr h TRP 189 N 0.95 0.33 -0.56 1.57 7.01 -1.24 0.02 115.95 124.03 1brr h TRP 189 Ca 0.19 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.16 1brr h TRP 189 Cb 0.43 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1brr h TRP 189 CO 0.03 0.43 0.36 1.25 -2.79 0.00 0.00 178.44 177.73 1brr h LEU 190 N 0.14 0.62 -0.71 0.65 5.85 -1.24 -2.40 115.31 118.22 1brr h LEU 190 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1brr h LEU 190 Cb 0.27 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1brr h LEU 190 CO 0.00 0.45 -0.07 2.30 -0.34 0.00 0.00 178.44 180.78 1brr n ILE 191 N -4.71 0.00 -2.68 4.05 -5.35 -0.82 -1.18 119.36 108.67 1brr n ILE 191 Ca 0.04 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 1brr n ILE 191 Cb 0.03 0.34 0.05 0.00 -1.74 0.00 0.00 39.64 38.32 1brr n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1brr n GLY 192 N 1.21 1.24 0.00 3.28 0.00 -0.01 -0.58 105.19 110.33 1brr n GLY 192 Ca 0.17 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1brr n GLY 192 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1brr n SER 193 N -2.84 0.00 -0.64 1.61 2.88 -1.21 -1.18 113.62 112.24 1brr n SER 193 Ca 0.08 0.41 0.11 0.00 -1.33 0.00 0.00 58.87 58.14 1brr n SER 193 Cb 0.28 -0.41 0.05 0.00 -0.75 0.00 0.00 64.21 63.38 1brr n SER 193 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1brr n GLU 194 N -1.40 1.57 0.00 -1.46 1.02 -1.26 -4.93 120.64 114.18 1brr n GLU 194 Ca 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.85 1brr n GLU 194 Cb 0.07 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1brr n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brr n GLY 195 N 1.39 3.04 3.80 0.62 0.00 -0.33 -4.89 105.19 108.83 1brr n GLY 195 Ca 0.11 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1brr n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brr s ALA 196 N -2.00 3.32 -1.00 4.61 0.00 -0.32 -4.95 121.76 121.42 1brr s ALA 196 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1brr s ALA 196 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1brr s ALA 196 CO 0.00 0.26 0.43 0.41 0.00 0.00 0.00 175.76 176.86 1brr n GLY 197 N 0.65 1.29 0.35 0.00 0.00 -1.26 -3.54 105.19 102.67 1brr n GLY 197 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1brr n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1brr h ILE 198 N 0.00 0.64 -3.88 -0.61 2.04 -1.84 -3.40 117.51 110.46 1brr h ILE 198 Ca 0.00 -0.24 -0.53 0.00 1.00 0.00 0.00 64.86 65.09 1brr h ILE 198 Cb 0.43 -0.11 -0.31 0.00 -0.74 0.00 0.00 36.82 36.08 1brr h ILE 198 CO 0.00 0.13 -0.83 -0.69 0.00 0.00 0.00 178.15 176.76 1brr s VAL 199 N -5.82 1.28 0.58 1.67 1.01 0.26 -5.04 120.40 114.33 1brr s VAL 199 Ca -0.11 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 1brr s VAL 199 Cb 0.26 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1brr s VAL 199 CO 0.80 0.37 1.14 -2.16 0.00 0.00 0.00 175.10 175.26 1brr s PRO 200 N 0.08 3.14 0.42 2.72 0.04 -1.26 -3.31 135.00 136.82 1brr s PRO 200 Ca -0.04 1.62 0.24 0.00 0.04 0.00 0.00 61.00 62.86 1brr s PRO 200 Cb -0.11 -1.97 1.27 0.00 0.04 0.00 0.00 34.50 33.72 1brr s PRO 200 CO 0.02 -1.02 1.71 1.25 0.04 0.00 0.00 177.00 178.99 1brr h LEU 201 N 0.87 0.33 0.01 -3.56 5.85 -1.95 -2.26 115.31 114.61 1brr h LEU 201 Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1brr h LEU 201 Cb 1.27 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1brr h LEU 201 CO 0.56 -0.04 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.45 1brr h ASN 202 N 0.24 -0.11 -0.46 1.25 -0.00 -1.97 0.10 115.58 114.63 1brr h ASN 202 Ca 0.69 0.01 0.05 0.00 -0.00 0.00 0.00 56.30 57.05 1brr h ASN 202 Cb 2.01 0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 40.35 1brr h ASN 202 CO -0.33 -0.04 0.31 0.40 -0.00 0.00 0.00 177.43 177.77 1brr h ILE 203 N -0.06 1.00 -0.33 2.57 1.08 -1.80 -2.07 117.51 117.90 1brr h ILE 203 Ca -0.00 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1brr h ILE 203 Cb 0.05 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 1brr h ILE 203 CO -0.02 0.08 0.16 -0.08 -0.69 0.00 0.00 178.15 177.60 1brr h GLU 204 N 0.44 0.48 -0.58 2.37 4.81 -1.12 0.24 114.58 121.22 1brr h GLU 204 Ca 0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1brr h GLU 204 Cb 0.22 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1brr h GLU 204 CO -0.05 0.45 0.37 1.15 -0.73 0.00 0.00 179.01 180.21 1brr h THR 205 N 0.40 1.15 -0.20 0.32 2.02 -0.11 0.22 112.91 116.71 1brr h THR 205 Ca 0.11 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1brr h THR 205 Cb 0.13 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1brr h THR 205 CO -0.01 0.15 -0.23 0.25 0.37 0.00 0.00 175.52 176.04 1brr h LEU 206 N 0.78 0.55 0.44 2.58 7.12 -0.93 -1.81 115.31 124.04 1brr h LEU 206 Ca 0.21 -0.50 -0.02 0.00 0.13 0.00 0.00 57.88 57.71 1brr h LEU 206 Cb -0.08 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 39.89 1brr h LEU 206 CO -0.04 0.93 -0.26 -0.07 -0.13 0.00 0.00 178.44 178.87 1brr h LEU 207 N 0.18 -0.63 -1.08 2.25 3.38 0.25 -1.95 115.31 117.69 1brr h LEU 207 Ca 0.03 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1brr h LEU 207 Cb 0.79 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1brr h LEU 207 CO 0.06 -0.41 0.62 -0.26 0.09 0.00 0.00 178.44 178.53 1brr h PHE 208 N -0.66 1.10 0.00 1.13 0.04 -1.04 -1.11 116.94 116.41 1brr h PHE 208 Ca -0.05 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1brr h PHE 208 Cb 0.53 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1brr h PHE 208 CO -0.08 0.54 -0.19 1.98 -0.60 0.00 0.00 178.31 179.96 1brr h MET 209 N 1.05 0.00 0.21 1.51 4.05 -1.02 0.29 114.93 121.03 1brr h MET 209 Ca 0.43 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.52 1brr h MET 209 Cb 0.27 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1brr h MET 209 CO -0.18 0.19 -1.53 0.28 0.23 0.00 0.00 176.91 175.90 1brr h VAL 210 N 0.00 1.20 -0.18 -5.77 2.07 -0.46 -3.04 116.25 110.07 1brr h VAL 210 Ca -0.00 -2.71 -0.17 0.00 0.82 0.00 0.00 66.70 64.64 1brr h VAL 210 Cb 0.36 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1brr h VAL 210 CO 0.02 0.83 -0.57 -0.07 0.02 0.00 0.00 177.57 177.81 1brr h LEU 211 N 0.12 0.65 0.23 2.57 4.07 -1.08 -2.87 115.31 119.00 1brr h LEU 211 Ca -0.26 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.33 1brr h LEU 211 Cb 2.12 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.67 1brr h LEU 211 CO 0.23 1.08 -0.11 0.44 -1.08 0.00 0.00 178.44 179.01 1brr h ASP 212 N 0.44 -0.26 -0.34 -0.43 3.32 -0.53 0.13 116.42 118.75 1brr h ASP 212 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1brr h ASP 212 Cb 1.13 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 1brr h ASP 212 CO 0.11 0.00 0.11 0.58 -1.72 0.00 0.00 179.24 178.32 1brr h VAL 213 N -0.53 0.89 -0.22 -1.35 2.07 -1.61 -1.56 116.25 113.93 1brr h VAL 213 Ca -0.03 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1brr h VAL 213 Cb 0.40 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1brr h VAL 213 CO 0.05 0.05 -0.18 0.77 0.02 0.00 0.00 177.57 178.27 1brr h SER 214 N 0.25 0.55 0.27 0.57 4.64 -1.52 0.33 113.55 118.63 1brr h SER 214 Ca 0.16 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1brr h SER 214 Cb 0.14 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1brr h SER 214 CO -0.17 0.89 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 1brr n ALA 215 N -2.44 1.30 -0.33 5.18 0.00 0.46 -1.14 120.51 123.53 1brr n ALA 215 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1brr n ALA 215 Cb 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1brr n ALA 215 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1brr n LYS 216 N -1.87 0.00 0.25 0.00 5.02 -0.60 -4.38 118.16 116.57 1brr n LYS 216 Ca 0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1brr n LYS 216 Cb 0.10 -0.02 0.62 0.00 -0.02 0.00 0.00 35.03 35.71 1brr n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1brr h VAL 217 N 0.00 1.01 0.00 -0.18 2.07 -0.52 0.74 116.25 119.37 1brr h VAL 217 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1brr h VAL 217 Cb 0.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1brr h VAL 217 CO 0.00 0.02 -0.00 1.23 0.02 0.00 0.00 177.57 178.84 1brr h GLY 218 N 0.07 -0.01 0.85 2.17 0.00 -0.78 -2.60 103.07 102.77 1brr h GLY 218 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1brr h GLY 218 CO 0.00 -0.00 0.65 -2.75 0.00 0.00 0.00 176.54 174.43 1brr h PHE 219 N -0.94 1.20 -0.33 5.60 3.04 -0.83 -2.13 116.94 122.54 1brr h PHE 219 Ca -0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1brr h PHE 219 Cb 0.88 -0.40 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1brr h PHE 219 CO 0.24 0.67 0.17 0.78 -2.02 0.00 0.00 178.31 178.15 1brr h GLY 220 N 1.22 0.50 0.96 2.40 0.00 0.41 -2.58 103.07 105.98 1brr h GLY 220 Ca 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1brr h GLY 220 CO -0.14 0.23 -0.08 1.41 0.00 0.00 0.00 176.54 177.96 1brr h LEU 221 N 0.41 -0.19 -0.77 3.11 3.38 -0.99 0.66 115.31 120.92 1brr h LEU 221 Ca 0.12 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1brr h LEU 221 Cb 0.08 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1brr h LEU 221 CO -0.02 -0.10 0.35 0.40 0.09 0.00 0.00 178.44 179.17 1brr h ILE 222 N -0.27 0.71 0.37 1.22 2.04 -1.40 -2.50 117.51 117.68 1brr h ILE 222 Ca -0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1brr h ILE 222 Cb 0.21 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1brr h ILE 222 CO 0.04 0.10 -0.18 0.25 0.00 0.00 0.00 178.15 178.35 1brr h LEU 223 N 0.52 -0.42 0.00 1.44 5.85 -1.18 -3.25 115.31 118.27 1brr h LEU 223 Ca 0.42 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1brr h LEU 223 Cb 0.59 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1brr h LEU 223 CO -0.37 -0.01 0.00 0.18 -0.34 0.00 0.00 178.44 177.90 1brr n LEU 224 N -5.14 0.00 -0.08 2.25 4.77 0.20 -2.40 117.00 116.60 1brr n LEU 224 Ca -0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.82 1brr n LEU 224 Cb 0.28 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 1brr n LEU 224 CO 0.27 0.00 -1.04 0.54 -1.33 0.00 0.00 177.39 175.83 1brr n ARG 225 N -1.00 1.06 -0.70 3.23 1.74 -0.96 -5.01 116.66 115.02 1brr n ARG 225 Ca 0.09 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1brr n ARG 225 Cb 0.04 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 1brr n ARG 225 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1brr n SER 226 N -2.60 0.14 -4.49 0.55 2.88 -1.01 -5.01 113.62 104.09 1brr n SER 226 Ca -0.26 -1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 55.69 1brr n SER 226 Cb 1.01 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 64.25 1brr n SER 226 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1brr s ARG 227 N -3.35 3.18 -1.22 -1.46 3.03 -1.26 -4.90 118.95 112.98 1brr s ARG 227 Ca 0.16 -0.69 -0.10 0.00 2.03 0.00 0.00 55.73 57.12 1brr s ARG 227 Cb -0.01 -4.30 0.20 0.00 -1.03 0.00 0.00 34.95 29.81 1brr s ARG 227 CO 0.11 -1.95 1.59 0.00 -1.13 0.00 0.00 175.30 173.92 1brr n ALA 228 N 8.27 4.67 -1.88 7.88 0.00 -1.08 -4.73 120.51 133.64 1brr n ALA 228 Ca 0.02 -4.38 0.00 0.00 0.00 0.00 0.00 53.44 49.08 1brr n ALA 228 Cb 0.47 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1brr n ALA 228 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1brr n ILE 229 N 3.53 -8.19 -0.06 0.00 -0.00 -1.26 -3.89 119.36 109.49 1brr n ILE 229 Ca 0.36 2.08 0.00 0.00 -0.00 0.00 0.00 62.75 65.18 1brr n ILE 229 Cb 0.39 -3.54 0.00 0.00 -0.00 0.00 0.00 39.64 36.48 1brr n ILE 229 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1brr n PHE 230 N 1.79 0.00 -3.77 1.39 -0.00 -1.26 -3.82 117.46 111.79 1brr n PHE 230 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1brr n PHE 230 Cb 0.00 -0.97 0.01 0.00 -0.00 0.00 0.00 39.48 38.53 1brr n PHE 230 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1brr n GLY 231 N -1.61 0.76 0.00 4.97 0.00 -1.26 -4.97 105.19 103.08 1brr n GLY 231 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1brr n GLY 231 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50