#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brr n GLN 3 N 0.00 0.00 -1.35 0.00 -0.06 -1.26 -5.06 117.38 109.64 1brr n GLN 3 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 1brr n GLN 3 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 1brr n GLN 3 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1brr n ILE 4 N 0.25 1.19 -3.61 1.69 5.41 -1.26 -4.54 119.36 118.49 1brr n ILE 4 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1brr n ILE 4 Cb 0.00 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 1brr n ILE 4 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1brr n THR 5 N -0.71 0.00 0.00 1.39 5.66 -1.26 -5.01 114.28 114.35 1brr n THR 5 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1brr n THR 5 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1brr n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1brr n GLY 6 N 0.08 1.00 0.00 1.09 0.00 -1.26 -5.03 105.19 101.07 1brr n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1brr n GLY 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1brr n ARG 7 N 0.00 0.00 0.25 1.61 3.00 -1.26 -4.91 116.66 115.36 1brr n ARG 7 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1brr n ARG 7 Cb 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 32.46 32.13 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 -0.61 -0.44 -0.14 0.11 -1.98 -3.00 132.00 125.94 1brr h PRO 8 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1brr h PRO 8 Cb 0.00 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1brr h PRO 8 CO 0.00 -0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 176.61 1brr n GLU 9 N -5.29 0.56 -0.30 1.05 0.00 -1.26 -3.91 120.64 111.49 1brr n GLU 9 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.06 1brr n GLU 9 Cb 0.30 -1.22 0.20 0.00 0.00 0.00 0.00 31.44 30.72 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 0.35 1.09 -0.06 -1.84 5.08 -1.87 -2.10 115.95 116.59 1brr h TRP 10 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 1brr h TRP 10 Cb 0.22 -0.36 -0.00 0.00 -3.00 0.00 0.00 29.16 26.01 1brr h TRP 10 CO 0.00 0.64 0.00 0.97 -1.28 0.00 0.00 178.44 178.77 1brr h ILE 11 N 1.13 1.24 -0.58 0.12 2.10 -1.84 0.72 117.51 120.40 1brr h ILE 11 Ca 0.35 -0.75 0.07 0.00 1.08 0.00 0.00 64.86 65.60 1brr h ILE 11 Cb -0.01 1.64 -0.06 0.00 -1.09 0.00 0.00 36.82 37.30 1brr h ILE 11 CO -0.10 0.21 0.27 -0.50 -1.08 0.00 0.00 178.15 176.95 1brr h TRP 12 N -0.18 0.49 -0.30 2.19 -0.00 -1.79 0.81 115.95 117.18 1brr h TRP 12 Ca 0.02 0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.83 1brr h TRP 12 Cb 0.33 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 1brr h TRP 12 CO 0.03 0.20 -0.24 -0.07 -0.00 0.00 0.00 178.44 178.36 1brr h LEU 13 N 0.50 0.58 0.14 -4.49 3.38 -1.32 0.28 115.31 114.38 1brr h LEU 13 Ca 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1brr h LEU 13 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1brr h LEU 13 CO -0.22 0.81 -0.07 0.00 0.09 0.00 0.00 178.44 179.06 1brr h ALA 14 N 1.24 -0.18 -0.84 1.53 0.00 0.38 0.38 119.26 121.76 1brr h ALA 14 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1brr h ALA 14 Cb 0.69 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1brr h ALA 14 CO 0.05 -0.44 0.56 1.25 0.00 0.00 0.00 179.25 180.67 1brr h LEU 15 N -0.52 0.96 -0.46 0.00 5.85 0.77 0.37 115.31 122.28 1brr h LEU 15 Ca -0.02 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1brr h LEU 15 Cb 0.41 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1brr h LEU 15 CO 0.03 0.69 -0.07 1.23 -0.34 0.00 0.00 178.44 179.99 1brr h GLY 16 N 1.13 0.93 0.99 3.75 0.00 -0.30 -0.70 103.07 108.87 1brr h GLY 16 Ca 0.31 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1brr h GLY 16 CO -0.07 0.67 0.33 -0.84 0.00 0.00 0.00 176.54 176.63 1brr h THR 17 N 0.70 1.20 0.05 4.70 2.02 0.12 -2.71 112.91 118.98 1brr h THR 17 Ca 0.12 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1brr h THR 17 Cb 0.60 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1brr h THR 17 CO 0.04 0.22 -0.06 0.00 0.37 0.00 0.00 175.52 176.09 1brr h ALA 18 N 1.15 -0.74 -0.80 6.16 0.00 0.21 -1.97 119.26 123.27 1brr h ALA 18 Ca 0.21 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1brr h ALA 18 Cb 0.05 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1brr h ALA 18 CO -0.03 -0.75 0.35 -0.07 0.00 0.00 0.00 179.25 178.75 1brr h LEU 19 N -0.11 0.36 -0.88 0.00 3.38 -1.20 -1.48 115.31 115.37 1brr h LEU 19 Ca -0.01 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1brr h LEU 19 Cb 0.10 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1brr h LEU 19 CO -0.01 0.13 0.48 0.24 0.09 0.00 0.00 178.44 179.36 1brr h MET 20 N 0.49 1.24 -0.17 1.13 2.86 -1.44 0.18 114.93 119.22 1brr h MET 20 Ca 0.44 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1brr h MET 20 Cb 0.68 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1brr h MET 20 CO -0.40 0.91 -0.23 0.78 1.06 0.00 0.00 176.91 179.03 1brr h GLY 21 N 1.24 0.49 0.87 8.32 0.00 -0.51 -2.50 103.07 110.97 1brr h GLY 21 Ca 0.31 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1brr h GLY 21 CO -0.05 0.48 0.04 1.41 0.00 0.00 0.00 176.54 178.42 1brr h LEU 22 N 0.09 0.12 -1.74 3.11 3.38 -1.08 -1.59 115.31 117.59 1brr h LEU 22 Ca 0.02 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.02 1brr h LEU 22 Cb 0.80 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1brr h LEU 22 CO 0.05 0.25 0.54 1.23 0.09 0.00 0.00 178.44 180.60 1brr h GLY 23 N -0.01 0.44 0.39 0.83 0.00 -0.64 0.29 103.07 104.38 1brr h GLY 23 Ca 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1brr h GLY 23 CO -0.00 0.01 -0.18 -0.84 0.00 0.00 0.00 176.54 175.53 1brr h THR 24 N 0.23 1.56 -0.61 4.70 2.02 -0.96 -1.81 112.91 118.04 1brr h THR 24 Ca 0.39 -1.90 0.01 0.00 0.77 0.00 0.00 66.41 65.68 1brr h THR 24 Cb 1.17 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 70.33 1brr h THR 24 CO -0.09 0.51 0.41 -0.07 0.37 0.00 0.00 175.52 176.65 1brr h LEU 25 N -0.57 0.68 -0.31 2.58 -0.00 -0.33 0.19 115.31 117.55 1brr h LEU 25 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1brr h LEU 25 Cb 0.94 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1brr h LEU 25 CO 0.04 0.48 0.11 0.22 -0.00 0.00 0.00 178.44 179.29 1brr h TYR 26 N 0.80 0.49 0.00 1.13 3.20 -0.47 0.22 116.97 122.33 1brr h TYR 26 Ca 0.23 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1brr h TYR 26 Cb -0.04 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 1brr h TYR 26 CO -0.00 0.49 -0.03 0.74 -1.64 0.00 0.00 178.16 177.71 1brr h PHE 27 N 0.34 0.00 0.00 -3.82 0.04 -0.47 -2.99 116.94 110.04 1brr h PHE 27 Ca 0.10 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 1brr h PHE 27 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1brr h PHE 27 CO 0.00 0.03 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.42 1brr h LEU 28 N 0.00 0.00 -2.29 1.54 3.38 -0.20 -3.05 115.31 114.69 1brr h LEU 28 Ca -0.00 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 1brr h LEU 28 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1brr h LEU 28 CO 0.00 0.98 0.01 0.52 0.09 0.00 0.00 178.44 180.05 1brr n VAL 29 N -4.61 1.29 0.00 1.22 0.31 0.72 -2.36 118.33 114.90 1brr n VAL 29 Ca -0.12 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1brr n VAL 29 Cb 0.42 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.74 3.19 -0.39 5.55 4.81 -1.13 -4.73 118.16 126.20 1brr n LYS 30 Ca 0.01 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.50 1brr n LYS 30 Cb 0.51 -0.53 0.21 0.00 0.02 0.00 0.00 35.03 35.25 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 0.36 1.76 0.07 3.14 0.00 -1.00 -4.59 105.19 104.94 1brr n GLY 31 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 1brr n GLY 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1brr h MET 32 N 2.36 -0.06 0.00 1.61 2.86 -1.85 -3.38 114.93 116.47 1brr h MET 32 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1brr h MET 32 Cb 1.01 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1brr h MET 32 CO 0.16 -0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.50 1brr n GLY 33 N -1.06 -0.91 2.32 8.32 0.00 -1.26 -5.00 105.19 107.60 1brr n GLY 33 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.83 -0.07 1.61 0.31 -1.26 -4.99 118.33 111.09 1brr n VAL 34 Ca 0.00 0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 64.84 1brr n VAL 34 Cb 0.00 -2.65 -0.09 0.00 -0.91 0.00 0.00 33.84 30.20 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 2.09 2.38 -4.64 4.52 7.64 -1.26 -4.98 113.62 119.37 1brr n SER 35 Ca -0.02 -0.05 -0.43 0.00 1.01 0.00 0.00 58.87 59.37 1brr n SER 35 Cb 0.04 0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.75 3.75 0.04 6.43 2.03 -1.26 -4.89 116.55 119.90 1brr n ASP 36 Ca -0.25 0.68 0.11 0.00 0.52 0.00 0.00 54.79 55.84 1brr n ASP 36 Cb 0.85 -1.51 0.56 0.00 -0.72 0.00 0.00 41.12 40.30 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 11.90 0.24 -0.27 -0.67 0.13 -1.93 0.40 132.00 141.81 1brr h PRO 37 Ca -0.46 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1brr h PRO 37 Cb 1.25 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1brr h PRO 37 CO 0.95 0.16 -0.05 0.22 -0.23 0.00 0.00 178.00 179.05 1brr h ASP 38 N 0.25 0.50 1.47 1.44 3.58 -1.88 -2.79 116.42 118.99 1brr h ASP 38 Ca 0.17 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 1brr h ASP 38 Cb 0.37 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1brr h ASP 38 CO -0.03 0.74 -0.23 0.00 -2.88 0.00 0.00 179.24 176.83 1brr h ALA 39 N 0.78 0.89 -0.27 -0.78 0.00 -1.28 -3.24 119.26 115.36 1brr h ALA 39 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1brr h ALA 39 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1brr h ALA 39 CO 0.02 0.29 0.06 -0.22 0.00 0.00 0.00 179.25 179.41 1brr h LYS 40 N 0.00 0.16 -0.11 0.00 3.64 -0.67 -1.94 116.57 117.66 1brr h LYS 40 Ca -0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1brr h LYS 40 Cb 1.03 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 1brr h LYS 40 CO 0.03 0.11 -0.27 0.87 -2.27 0.00 0.00 179.45 177.92 1brr h LYS 41 N 0.17 -0.34 -0.93 1.90 1.57 -1.54 -0.63 116.57 116.77 1brr h LYS 41 Ca 0.12 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.06 1brr h LYS 41 Cb 0.11 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1brr h LYS 41 CO -0.15 -0.23 0.59 0.74 -0.57 0.00 0.00 179.45 179.84 1brr h PHE 42 N -0.35 0.92 -0.06 -1.35 0.04 -1.55 0.66 116.94 115.25 1brr h PHE 42 Ca 0.09 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 1brr h PHE 42 Cb 0.49 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1brr h PHE 42 CO -0.36 0.34 -0.14 1.88 -0.60 0.00 0.00 178.31 179.44 1brr h TYR 43 N 0.78 0.26 -0.77 -0.55 -1.99 -0.68 -1.75 116.97 112.27 1brr h TYR 43 Ca 0.47 -0.10 0.05 0.00 2.00 0.00 0.00 58.73 61.16 1brr h TYR 43 Cb 0.66 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 39.30 1brr h TYR 43 CO -0.00 0.74 0.51 0.00 -0.00 0.00 0.00 178.16 179.40 1brr h ALA 44 N 0.47 1.62 0.04 3.88 0.00 -0.27 -0.33 119.26 124.68 1brr h ALA 44 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1brr h ALA 44 Cb 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1brr h ALA 44 CO 0.03 0.28 -0.02 0.82 0.00 0.00 0.00 179.25 180.36 1brr h ILE 45 N 0.86 1.31 0.00 0.00 2.04 -0.94 -3.24 117.51 117.54 1brr h ILE 45 Ca 0.32 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1brr h ILE 45 Cb 0.18 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1brr h ILE 45 CO -0.11 0.38 0.00 0.74 0.00 0.00 0.00 178.15 179.17 1brr h THR 46 N -0.84 0.00 0.09 -0.27 2.02 -1.05 -2.83 112.91 110.03 1brr h THR 46 Ca -0.01 -0.16 -0.26 0.00 0.77 0.00 0.00 66.41 66.75 1brr h THR 46 Cb 0.67 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1brr h THR 46 CO 0.01 0.00 -1.36 0.74 0.37 0.00 0.00 175.52 175.28 1brr h THR 47 N 0.00 1.02 -0.08 3.16 2.02 -1.17 -3.37 112.91 114.49 1brr h THR 47 Ca 0.00 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 64.79 1brr h THR 47 Cb 0.23 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 1brr h THR 47 CO 0.00 0.65 -0.12 -0.07 0.37 0.00 0.00 175.52 176.35 1brr h LEU 48 N -0.42 0.11 0.02 2.58 3.38 -1.53 -2.64 115.31 116.80 1brr h LEU 48 Ca -0.30 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1brr h LEU 48 Cb 1.67 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.36 1brr h LEU 48 CO 0.01 0.24 -0.20 0.58 0.09 0.00 0.00 178.44 179.17 1brr h VAL 49 N 0.11 0.54 -0.13 1.22 2.07 -1.69 0.14 116.25 118.51 1brr h VAL 49 Ca 0.02 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 1brr h VAL 49 Cb 0.28 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1brr h VAL 49 CO 0.02 0.00 -0.54 -0.65 0.02 0.00 0.00 177.57 176.42 1brr h PRO 50 N -0.33 0.38 -0.43 1.57 0.11 -1.74 -2.06 132.00 129.50 1brr h PRO 50 Ca 0.05 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1brr h PRO 50 Cb 0.39 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1brr h PRO 50 CO -0.17 0.82 0.27 0.00 -0.21 0.00 0.00 178.00 178.71 1brr h ALA 51 N 1.13 0.55 -0.31 -0.75 0.00 -1.08 0.42 119.26 119.22 1brr h ALA 51 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1brr h ALA 51 Cb 1.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1brr h ALA 51 CO 0.09 0.02 0.13 0.82 0.00 0.00 0.00 179.25 180.32 1brr h ILE 52 N 0.58 1.17 -0.37 0.00 2.04 -0.71 -2.66 117.51 117.55 1brr h ILE 52 Ca 0.16 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1brr h ILE 52 Cb -0.03 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1brr h ILE 52 CO -0.03 0.18 0.16 0.00 0.00 0.00 0.00 178.15 178.46 1brr h ALA 53 N 0.98 1.58 -0.23 1.87 0.00 -0.88 -1.64 119.26 120.95 1brr h ALA 53 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1brr h ALA 53 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1brr h ALA 53 CO -0.01 0.33 0.12 0.35 0.00 0.00 0.00 179.25 180.04 1brr h PHE 54 N 0.52 0.33 -0.24 0.00 3.57 0.16 0.47 116.94 121.75 1brr h PHE 54 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1brr h PHE 54 Cb 0.09 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1brr h PHE 54 CO 0.00 0.32 0.12 1.15 -2.23 0.00 0.00 178.31 177.68 1brr h THR 55 N 0.25 1.00 0.00 4.41 2.02 -1.16 -0.63 112.91 118.79 1brr h THR 55 Ca 0.08 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1brr h THR 55 Cb 0.11 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1brr h THR 55 CO -0.01 0.05 -0.06 0.24 0.37 0.00 0.00 175.52 176.11 1brr h MET 56 N 0.26 0.00 0.20 6.66 2.86 -1.18 -2.58 114.93 121.15 1brr h MET 56 Ca 0.10 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.47 1brr h MET 56 Cb 0.02 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.71 1brr h MET 56 CO -0.07 0.06 -1.18 1.88 1.06 0.00 0.00 176.91 178.67 1brr h TYR 57 N 0.00 0.76 -0.58 -0.22 0.05 -0.46 -3.19 116.97 113.34 1brr h TYR 57 Ca -0.00 -0.56 0.01 0.00 0.05 0.00 0.00 58.73 58.23 1brr h TYR 57 Cb 0.66 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 1brr h TYR 57 CO 0.00 1.45 0.38 1.25 -1.05 0.00 0.00 178.16 180.19 1brr h LEU 58 N -0.11 0.65 -0.85 3.88 5.85 -1.04 -1.23 115.31 122.45 1brr h LEU 58 Ca -0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1brr h LEU 58 Cb 1.91 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 1brr h LEU 58 CO 0.21 0.47 0.54 0.77 -0.34 0.00 0.00 178.44 180.09 1brr h SER 59 N 0.77 1.00 0.32 1.25 4.64 -1.57 0.38 113.55 120.33 1brr h SER 59 Ca 0.21 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1brr h SER 59 Cb -0.07 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1brr h SER 59 CO -0.05 0.75 -0.34 0.24 -0.87 0.00 0.00 176.83 176.56 1brr h MET 60 N 1.17 0.03 -0.16 4.77 2.86 -1.43 -2.22 114.93 119.95 1brr h MET 60 Ca 0.31 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1brr h MET 60 Cb -0.09 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1brr h MET 60 CO -0.06 0.37 -0.31 1.25 1.06 0.00 0.00 176.91 179.22 1brr h LEU 61 N 0.03 0.54 -0.74 1.22 5.85 0.14 -3.14 115.31 119.22 1brr h LEU 61 Ca 0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1brr h LEU 61 Cb 0.62 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1brr h LEU 61 CO 0.05 1.00 0.00 0.18 -0.34 0.00 0.00 178.44 179.32 1brr n LEU 62 N -4.37 0.88 0.00 2.25 4.77 0.12 -4.89 117.00 115.75 1brr n LEU 62 Ca -0.06 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1brr n LEU 62 Cb 0.48 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1brr n LEU 62 CO 0.43 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1brr n GLY 63 N 0.31 2.49 0.23 -0.72 0.00 -0.88 -4.87 105.19 101.74 1brr n GLY 63 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.31 0.00 1.61 3.20 -1.74 -1.82 116.97 117.91 1brr h TYR 64 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1brr h TYR 64 Cb 0.00 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1brr h TYR 64 CO 0.00 -0.25 0.00 0.41 -1.64 0.00 0.00 178.16 176.68 1brr n GLY 65 N -1.40 0.16 3.71 1.82 0.00 -0.99 -4.77 105.19 103.72 1brr n GLY 65 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.52 3.59 0.20 0.99 0.20 -0.68 -2.72 118.68 119.74 1brr s LEU 66 Ca 0.00 -0.01 -0.11 0.00 0.69 0.00 0.00 54.13 54.70 1brr s LEU 66 Cb 0.00 -2.12 -0.00 0.00 -0.43 0.00 0.00 46.19 43.64 1brr s LEU 66 CO 0.00 0.26 0.38 0.28 -0.29 0.00 0.00 176.35 176.98 1brr s THR 67 N -1.16 0.03 -0.13 3.68 -1.32 0.67 -4.96 115.64 112.46 1brr s THR 67 Ca 0.22 -1.31 -0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1brr s THR 67 Cb -0.12 -1.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 1brr s THR 67 CO 0.13 -0.15 -0.09 -0.04 -2.21 0.00 0.00 174.62 172.26 1brr s MET 68 N -3.98 3.41 -0.09 7.08 -1.94 -1.25 0.70 119.30 123.24 1brr s MET 68 Ca 0.18 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.59 1brr s MET 68 Cb 0.01 -2.73 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1brr s MET 68 CO 0.03 0.28 -0.19 0.08 -0.01 0.00 0.00 175.02 175.21 1brr s VAL 69 N 0.21 1.69 -0.12 -6.03 1.01 0.28 -4.85 120.40 112.60 1brr s VAL 69 Ca -0.06 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1brr s VAL 69 Cb -0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1brr s VAL 69 CO 0.04 0.48 0.83 -2.16 0.00 0.00 0.00 175.10 174.28 1brr s PRO 70 N 0.45 4.38 0.15 2.72 0.04 -1.26 -0.24 135.00 141.24 1brr s PRO 70 Ca -0.17 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.68 1brr s PRO 70 Cb -0.17 -3.52 0.08 0.00 0.04 0.00 0.00 34.50 30.92 1brr s PRO 70 CO 0.07 -0.18 1.04 -0.59 0.04 0.00 0.00 177.00 177.37 1brr s PHE 71 N 1.63 -0.02 0.00 0.56 -0.12 -0.95 -4.27 117.98 114.81 1brr s PHE 71 Ca 0.40 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1brr s PHE 71 Cb -0.18 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 1brr s PHE 71 CO 0.16 -0.81 0.00 0.41 -0.05 0.00 0.00 175.22 174.93 1brr n GLY 72 N -0.60 0.00 0.00 1.99 0.00 -1.26 -0.23 105.19 105.09 1brr n GLY 72 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.26 1.29 3.20 -0.02 0.00 -1.26 -5.11 105.19 102.03 1brr n GLY 73 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.02 0.74 0.67 1.61 -1.05 0.68 -5.15 118.70 116.18 1brr s GLU 74 Ca 0.00 -0.62 -0.16 0.00 -0.15 0.00 0.00 54.97 54.04 1brr s GLU 74 Cb 0.00 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1brr s GLU 74 CO 0.00 -0.22 1.20 -0.65 0.95 0.00 0.00 175.26 176.54 1brr s GLN 75 N -2.66 2.50 -0.01 -4.83 -0.21 -1.26 -2.25 119.66 110.94 1brr s GLN 75 Ca -0.04 1.75 -0.06 0.00 0.02 0.00 0.00 55.36 57.03 1brr s GLN 75 Cb -0.01 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.13 1brr s GLN 75 CO -0.04 -1.55 0.12 -0.80 -2.12 0.00 0.00 175.29 170.90 1brr s ASN 76 N -1.93 0.00 -0.03 5.90 0.01 0.67 -4.58 114.94 114.98 1brr s ASN 76 Ca 0.75 -0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 52.55 1brr s ASN 76 Cb -0.29 0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 1brr s ASN 76 CO 0.41 -0.29 0.70 -2.16 -1.51 0.00 0.00 177.10 174.24 1brr s PRO 77 N -1.05 4.43 -0.02 -0.60 0.04 -1.26 1.00 135.00 137.54 1brr s PRO 77 Ca -0.11 0.90 0.02 0.00 0.04 0.00 0.00 61.00 61.85 1brr s PRO 77 Cb -0.06 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1brr s PRO 77 CO 0.01 0.17 -0.09 0.42 0.04 0.00 0.00 177.00 177.55 1brr s ILE 78 N 0.42 0.74 -0.92 0.56 -1.09 0.22 -4.88 121.20 116.26 1brr s ILE 78 Ca 0.37 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 58.30 1brr s ILE 78 Cb -0.18 -0.65 0.23 0.00 -1.58 0.00 0.00 42.46 40.27 1brr s ILE 78 CO 0.19 0.23 0.89 -0.31 -1.23 0.00 0.00 174.94 174.71 1brr s TYR 79 N 0.10 3.87 0.32 3.97 2.02 -1.26 -0.23 117.35 126.14 1brr s TYR 79 Ca -0.02 -2.16 0.17 0.00 -0.37 0.00 0.00 57.07 54.69 1brr s TYR 79 Cb -0.07 -3.85 0.83 0.00 -0.40 0.00 0.00 41.96 38.47 1brr s TYR 79 CO 0.00 -1.01 1.84 0.11 -1.57 0.00 0.00 175.55 174.92 1brr h TRP 80 N 7.51 0.00 0.00 2.71 5.08 -1.88 -3.19 115.95 126.18 1brr h TRP 80 Ca 0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.10 1brr h TRP 80 Cb 0.99 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1brr h TRP 80 CO 0.97 0.33 0.33 0.00 -1.28 0.00 0.00 178.44 178.80 1brr h ALA 81 N 1.67 1.32 -0.21 0.11 0.00 -1.89 0.19 119.26 120.45 1brr h ALA 81 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1brr h ALA 81 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1brr h ALA 81 CO 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 1brr h ARG 82 N 0.00 0.45 0.00 0.00 3.08 -1.85 -2.16 114.38 113.90 1brr h ARG 82 Ca 0.00 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 1brr h ARG 82 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1brr h ARG 82 CO 0.00 0.74 -0.31 1.88 -1.07 0.00 0.00 179.97 181.22 1brr h TYR 83 N 0.14 0.00 -0.24 3.04 -1.99 -0.84 0.41 116.97 117.49 1brr h TYR 83 Ca 0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1brr h TYR 83 Cb 0.62 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 1brr h TYR 83 CO 0.07 0.31 0.04 0.00 -0.00 0.00 0.00 178.16 178.57 1brr h ALA 84 N 1.69 0.32 0.46 3.88 0.00 -1.35 -0.81 119.26 123.46 1brr h ALA 84 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1brr h ALA 84 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1brr h ALA 84 CO 0.04 -0.00 -0.22 0.22 0.00 0.00 0.00 179.25 179.28 1brr h ASP 85 N 0.21 -0.53 -0.92 0.00 1.82 -0.68 -3.23 116.42 113.09 1brr h ASP 85 Ca 0.07 0.02 0.21 0.00 -0.39 0.00 0.00 57.03 56.94 1brr h ASP 85 Cb 0.32 0.14 -0.12 0.00 0.68 0.00 0.00 39.33 40.35 1brr h ASP 85 CO 0.00 -0.37 0.47 -0.50 -1.61 0.00 0.00 179.24 177.24 1brr h TRP 86 N -0.65 0.79 -0.80 0.28 6.55 -0.27 0.15 115.95 122.01 1brr h TRP 86 Ca -0.06 0.04 0.19 0.00 0.95 0.00 0.00 58.89 60.01 1brr h TRP 86 Cb 0.48 -0.21 -0.14 0.00 -0.86 0.00 0.00 29.16 28.43 1brr h TRP 86 CO 0.11 0.04 0.05 1.25 -1.05 0.00 0.00 178.44 178.84 1brr h LEU 87 N 0.51 -0.30 0.00 -4.49 5.85 -1.16 -1.77 115.31 113.95 1brr h LEU 87 Ca 0.57 0.20 -0.30 0.00 0.84 0.00 0.00 57.88 59.19 1brr h LEU 87 Cb 1.02 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 1brr h LEU 87 CO -0.48 -0.19 -2.15 0.49 -0.34 0.00 0.00 178.44 175.78 1brr n PHE 88 N -5.34 0.27 0.17 1.25 3.72 -0.89 -4.54 117.46 112.10 1brr n PHE 88 Ca 0.16 0.09 -0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1brr n PHE 88 Cb 0.54 -1.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.01 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 0.00 0.48 -0.71 4.37 2.02 -0.30 -3.27 112.91 115.50 1brr h THR 89 Ca -0.42 -0.68 0.13 0.00 0.77 0.00 0.00 66.41 66.21 1brr h THR 89 Cb 2.04 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 69.09 1brr h THR 89 CO 0.04 0.10 0.27 0.71 0.37 0.00 0.00 175.52 177.01 1brr h THR 90 N -0.94 0.69 -0.08 3.16 1.35 -1.57 -1.45 112.91 114.06 1brr h THR 90 Ca -0.05 -0.15 -0.04 0.00 -0.55 0.00 0.00 66.41 65.63 1brr h THR 90 Cb 0.53 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 1brr h THR 90 CO 0.08 0.08 -0.13 1.55 -0.25 0.00 0.00 175.52 176.85 1brr h PRO 91 N 0.43 0.12 -0.25 4.72 0.13 -1.77 -1.63 132.00 133.75 1brr h PRO 91 Ca 0.38 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.40 1brr h PRO 91 Cb 0.55 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1brr h PRO 91 CO -0.38 0.26 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.38 1brr h LEU 92 N 0.12 0.43 -1.07 1.56 3.38 -1.32 0.29 115.31 118.70 1brr h LEU 92 Ca 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1brr h LEU 92 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1brr h LEU 92 CO 0.02 0.65 -0.28 -0.07 0.09 0.00 0.00 178.44 178.85 1brr h LEU 93 N 0.40 0.32 -0.25 1.67 4.07 -0.98 -1.29 115.31 119.25 1brr h LEU 93 Ca 0.07 -0.10 -0.21 0.00 0.08 0.00 0.00 57.88 57.71 1brr h LEU 93 Cb 0.58 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1brr h LEU 93 CO 0.04 0.59 -0.81 -0.07 -1.08 0.00 0.00 178.44 177.11 1brr h LEU 94 N 0.28 0.69 -0.75 1.67 4.07 -0.55 -2.75 115.31 117.96 1brr h LEU 94 Ca 0.04 -0.47 -0.03 0.00 0.08 0.00 0.00 57.88 57.49 1brr h LEU 94 Cb 0.64 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 1brr h LEU 94 CO 0.05 1.25 0.34 0.25 -1.08 0.00 0.00 178.44 179.24 1brr h LEU 95 N 0.37 1.00 -0.44 1.67 5.85 -0.03 0.47 115.31 124.20 1brr h LEU 95 Ca -0.05 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1brr h LEU 95 Cb 1.42 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1brr h LEU 95 CO 0.15 0.87 0.26 0.44 -0.34 0.00 0.00 178.44 179.82 1brr h ASP 96 N 1.06 0.43 0.21 1.25 3.32 -1.21 0.37 116.42 121.85 1brr h ASP 96 Ca 0.25 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1brr h ASP 96 Cb 0.15 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1brr h ASP 96 CO -0.03 0.31 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.30 1brr h LEU 97 N 0.53 0.29 -0.05 1.55 4.07 -1.08 -1.72 115.31 118.90 1brr h LEU 97 Ca 0.17 -0.13 -0.15 0.00 0.08 0.00 0.00 57.88 57.86 1brr h LEU 97 Cb 0.00 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.67 1brr h LEU 97 CO -0.07 0.69 -0.55 0.00 -1.08 0.00 0.00 178.44 177.43 1brr h ALA 98 N 1.32 0.14 -0.02 1.53 0.00 0.43 -3.00 119.26 119.66 1brr h ALA 98 Ca 0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1brr h ALA 98 Cb 0.86 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1brr h ALA 98 CO 0.07 0.36 -0.22 -0.07 0.00 0.00 0.00 179.25 179.40 1brr h LEU 99 N 0.01 0.02 -0.30 0.00 4.07 -0.22 -0.50 115.31 118.38 1brr h LEU 99 Ca -0.05 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 1brr h LEU 99 Cb 1.22 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 1brr h LEU 99 CO 0.11 0.24 -0.29 0.25 -1.08 0.00 0.00 178.44 177.67 1brr h LEU 100 N 0.02 0.78 -1.28 1.67 5.85 -1.31 -3.00 115.31 118.04 1brr h LEU 100 Ca 0.00 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1brr h LEU 100 Cb 0.40 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1brr h LEU 100 CO 0.03 1.09 0.00 0.52 -0.34 0.00 0.00 178.44 179.74 1brr n VAL 101 N -4.24 0.29 -3.90 1.05 0.31 -1.12 -4.93 118.33 105.78 1brr n VAL 101 Ca -0.04 -0.41 -0.26 0.00 -0.01 0.00 0.00 64.34 63.62 1brr n VAL 101 Cb 0.48 0.42 -0.00 0.00 -0.91 0.00 0.00 33.84 33.82 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 0.49 -1.37 -4.75 4.52 2.03 -0.48 -4.83 116.55 112.15 1brr n ASP 102 Ca 0.16 -0.92 -0.36 0.00 0.52 0.00 0.00 54.79 54.18 1brr n ASP 102 Cb 0.36 -3.42 0.04 0.00 -0.72 0.00 0.00 41.12 37.37 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 -3.73 2.56 0.39 -1.67 0.00 -0.32 -4.99 121.76 113.99 1brr s ALA 103 Ca 0.15 1.04 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 1brr s ALA 103 Cb -0.08 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1brr s ALA 103 CO 0.86 -1.19 1.33 -0.51 0.00 0.00 0.00 175.76 176.26 1brr s ASP 104 N -1.54 6.38 0.59 0.00 1.01 -1.26 -4.85 116.67 116.99 1brr s ASP 104 Ca 0.77 2.73 0.29 0.00 0.71 0.00 0.00 52.55 57.05 1brr s ASP 104 Cb -0.31 -2.65 1.49 0.00 1.01 0.00 0.00 42.92 42.46 1brr s ASP 104 CO 0.34 -0.81 1.91 1.56 0.21 0.00 0.00 175.17 178.38 1brr h GLN 105 N 2.84 0.00 0.04 8.23 4.20 -1.99 -0.03 115.11 128.39 1brr h GLN 105 Ca -0.50 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 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 0.63 0.00 -0.02 0.78 -0.67 0.00 0.00 178.83 179.55 1brr h GLY 106 N 0.00 -0.06 2.00 3.46 0.00 -2.00 -2.77 103.07 103.70 1brr h GLY 106 Ca 0.21 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.46 1brr h GLY 106 CO -0.00 -0.02 -0.47 -0.91 0.00 0.00 0.00 176.54 175.14 1brr h THR 107 N -0.36 1.07 -0.22 4.70 1.35 -1.40 -1.80 112.91 116.24 1brr h THR 107 Ca -0.01 -1.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.04 1brr h THR 107 Cb 0.33 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1brr h THR 107 CO 0.01 0.46 0.07 0.40 -0.25 0.00 0.00 175.52 176.21 1brr h ILE 108 N 0.00 1.19 -0.38 6.82 2.04 -1.34 -0.13 117.51 125.71 1brr h ILE 108 Ca -0.00 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 1brr h ILE 108 Cb 1.01 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1brr h ILE 108 CO 0.06 0.19 -0.01 0.25 0.00 0.00 0.00 178.15 178.65 1brr h LEU 109 N 0.19 0.66 -0.86 1.44 5.85 -1.42 0.62 115.31 121.80 1brr h LEU 109 Ca 0.07 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1brr h LEU 109 Cb 0.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1brr h LEU 109 CO -0.00 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 1brr n ALA 110 N -2.40 1.38 -0.11 1.25 0.00 -0.69 -1.30 120.51 118.65 1brr n ALA 110 Ca -0.01 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 1brr n ALA 110 Cb 0.29 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1brr n ALA 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1brr n LEU 111 N -2.13 1.90 0.24 0.00 7.94 -0.07 -3.69 117.00 121.18 1brr n LEU 111 Ca 0.01 0.42 -0.16 0.00 -1.11 0.00 0.00 56.01 55.16 1brr n LEU 111 Cb 0.14 -0.85 -0.08 0.00 0.53 0.00 0.00 43.42 43.15 1brr n LEU 111 CO 0.14 0.10 0.58 0.58 -1.11 0.00 0.00 177.39 177.68 1brr h VAL 112 N -1.00 0.14 -0.76 1.96 2.07 -0.75 -1.22 116.25 116.69 1brr h VAL 112 Ca -0.31 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.37 1brr h VAL 112 Cb 1.17 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.98 1brr h VAL 112 CO -0.19 0.00 0.25 1.23 0.02 0.00 0.00 177.57 178.88 1brr h GLY 113 N -0.84 1.12 1.68 2.17 0.00 -1.43 0.34 103.07 106.11 1brr h GLY 113 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1brr h GLY 113 CO -0.09 -0.17 0.01 0.00 0.00 0.00 0.00 176.54 176.29 1brr h ALA 114 N 1.59 1.52 -0.36 3.60 0.00 -1.55 -1.44 119.26 122.63 1brr h ALA 114 Ca 0.43 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1brr h ALA 114 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1brr h ALA 114 CO -0.47 0.35 -0.36 0.22 0.00 0.00 0.00 179.25 178.99 1brr h ASP 115 N 0.39 0.88 -0.41 0.00 3.58 0.76 -0.83 116.42 120.79 1brr h ASP 115 Ca 0.09 -0.39 0.03 0.00 0.42 0.00 0.00 57.03 57.18 1brr h ASP 115 Cb 0.24 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1brr h ASP 115 CO 0.00 1.15 0.21 1.23 -2.88 0.00 0.00 179.24 178.95 1brr h GLY 116 N 0.88 0.56 1.41 -0.78 0.00 0.21 -0.56 103.07 104.79 1brr h GLY 116 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1brr h GLY 116 CO 0.09 0.11 0.04 -2.22 0.00 0.00 0.00 176.54 174.56 1brr h ILE 117 N 0.43 1.23 -0.10 2.60 2.04 -1.13 -0.09 117.51 122.49 1brr h ILE 117 Ca 0.17 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1brr h ILE 117 Cb 0.07 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1brr h ILE 117 CO -0.11 0.32 0.06 -0.03 0.00 0.00 0.00 178.15 178.39 1brr h MET 118 N 0.70 0.14 0.32 2.37 4.05 -0.03 0.21 114.93 122.68 1brr h MET 118 Ca 0.15 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1brr h MET 118 Cb 0.37 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1brr h MET 118 CO 0.01 0.14 -0.15 0.82 0.23 0.00 0.00 176.91 177.96 1brr h ILE 119 N 0.09 0.00 -0.95 1.77 1.08 -1.06 -2.93 117.51 115.51 1brr h ILE 119 Ca 0.04 -0.63 0.19 0.00 -0.39 0.00 0.00 64.86 64.06 1brr h ILE 119 Cb 0.04 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.61 1brr h ILE 119 CO -0.01 0.00 -0.24 1.23 -0.69 0.00 0.00 178.15 178.44 1brr h GLY 120 N -1.06 0.67 1.15 5.37 0.00 -1.05 0.78 103.07 108.93 1brr h GLY 120 Ca -0.04 0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 1brr h GLY 120 CO 0.07 -0.36 0.11 -0.84 0.00 0.00 0.00 176.54 175.53 1brr h THR 121 N -0.00 1.26 0.06 4.70 2.02 -0.71 -2.00 112.91 118.23 1brr h THR 121 Ca 0.45 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1brr h THR 121 Cb 0.69 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1brr h THR 121 CO -0.98 0.37 -0.09 1.23 0.37 0.00 0.00 175.52 176.42 1brr h GLY 122 N 1.05 -0.15 0.16 2.16 0.00 0.58 -1.11 103.07 105.75 1brr h GLY 122 Ca 0.20 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.75 1brr h GLY 122 CO 0.01 -0.09 0.12 -2.00 0.00 0.00 0.00 176.54 174.57 1brr h LEU 123 N -0.18 -0.02 -0.67 3.11 5.85 -0.15 0.62 115.31 123.87 1brr h LEU 123 Ca 0.02 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1brr h LEU 123 Cb 0.20 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1brr h LEU 123 CO -0.05 -0.00 0.41 0.58 -0.34 0.00 0.00 178.44 179.03 1brr h VAL 124 N 0.24 1.06 -0.05 1.05 2.07 -0.73 -1.36 116.25 118.53 1brr h VAL 124 Ca 0.31 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 1brr h VAL 124 Cb 0.47 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1brr h VAL 124 CO -0.41 0.14 -0.58 1.23 0.02 0.00 0.00 177.57 177.97 1brr h GLY 125 N 0.78 0.17 1.67 2.17 0.00 -0.11 -2.05 103.07 105.69 1brr h GLY 125 Ca 0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1brr h GLY 125 CO -0.12 0.18 -0.10 0.00 0.00 0.00 0.00 176.54 176.49 1brr h ALA 126 N 1.29 1.36 -0.42 3.60 0.00 0.07 -3.04 119.26 122.13 1brr h ALA 126 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1brr h ALA 126 Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1brr h ALA 126 CO 0.08 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1brr n LEU 127 N -4.24 3.46 -4.70 0.00 4.77 -0.61 -4.96 117.00 110.72 1brr n LEU 127 Ca 0.00 -1.57 -0.42 0.00 -0.03 0.00 0.00 56.01 53.99 1brr n LEU 127 Cb 0.29 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1brr n LEU 127 CO 0.39 0.76 0.89 -0.89 -1.33 0.00 0.00 177.39 177.22 1brr s THR 128 N -1.38 4.28 0.18 -5.08 2.01 -0.79 -4.94 115.64 109.92 1brr s THR 128 Ca 0.38 1.62 0.01 0.00 0.31 0.00 0.00 61.69 64.01 1brr s THR 128 Cb 0.22 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1brr s THR 128 CO 0.31 0.05 1.44 0.11 -0.69 0.00 0.00 174.62 175.84 1brr h LYS 129 N 7.16 0.30 -6.20 4.92 6.56 -1.92 -3.42 116.57 123.97 1brr h LYS 129 Ca -0.37 -0.26 -0.58 0.00 -1.06 0.00 0.00 60.65 58.38 1brr h LYS 129 Cb 1.18 0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.84 1brr h LYS 129 CO 0.84 0.92 0.83 0.08 -2.06 0.00 0.00 179.45 180.07 1brr s VAL 130 N -3.51 4.56 0.18 0.50 1.01 -1.26 -4.28 120.40 117.60 1brr s VAL 130 Ca -0.04 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.65 1brr s VAL 130 Cb 0.11 -4.34 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1brr s VAL 130 CO 0.83 -0.33 1.80 0.22 0.00 0.00 0.00 175.10 177.61 1brr h TYR 131 N 7.86 0.55 -0.77 5.22 3.20 -1.94 -3.04 116.97 128.06 1brr h TYR 131 Ca -0.20 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.70 1brr h TYR 131 Cb 1.06 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1brr h TYR 131 CO 0.80 0.28 0.50 0.77 -1.64 0.00 0.00 178.16 178.87 1brr h SER 132 N 0.58 0.86 -0.08 -2.11 0.02 -1.97 -2.85 113.55 107.99 1brr h SER 132 Ca 0.23 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1brr h SER 132 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1brr h SER 132 CO -0.14 0.61 0.03 1.88 -1.14 0.00 0.00 176.83 178.07 1brr h TYR 133 N 1.01 0.17 -0.87 3.45 0.05 -1.94 -2.82 116.97 116.01 1brr h TYR 133 Ca 0.29 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.20 1brr h TYR 133 Cb -0.08 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.54 1brr h TYR 133 CO -0.02 0.15 0.56 0.00 -1.05 0.00 0.00 178.16 177.80 1brr h ARG 134 N 0.17 0.67 -0.00 4.88 3.08 -1.51 -0.50 114.38 121.17 1brr h ARG 134 Ca 0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1brr h ARG 134 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1brr h ARG 134 CO -0.00 0.44 -0.71 0.74 -1.07 0.00 0.00 179.97 179.37 1brr h PHE 135 N 0.69 0.01 -0.50 3.04 0.04 -1.66 -1.55 116.94 117.02 1brr h PHE 135 Ca 0.43 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 1brr h PHE 135 Cb 0.67 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 1brr h PHE 135 CO -0.00 0.71 0.29 0.28 -0.60 0.00 0.00 178.31 178.99 1brr h VAL 136 N 0.01 1.16 -0.47 -0.55 2.07 -1.18 0.16 116.25 117.44 1brr h VAL 136 Ca -0.01 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 1brr h VAL 136 Cb 1.25 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1brr h VAL 136 CO 0.09 0.16 -0.13 -0.50 0.02 0.00 0.00 177.57 177.21 1brr h TRP 137 N 0.66 0.98 0.23 1.57 4.06 -1.30 -2.35 115.95 119.82 1brr h TRP 137 Ca 0.18 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1brr h TRP 137 Cb 0.01 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 1brr h TRP 137 CO -0.03 0.95 -0.20 2.35 -3.56 0.00 0.00 178.44 177.96 1brr h TRP 138 N 0.79 -0.52 -0.28 0.49 7.01 -0.57 0.13 115.95 123.00 1brr h TRP 138 Ca 0.12 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.19 1brr h TRP 138 Cb 0.65 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.84 1brr h TRP 138 CO 0.04 -0.30 -0.31 0.00 -2.79 0.00 0.00 178.44 175.07 1brr h ALA 139 N 0.27 -0.25 -0.47 2.65 0.00 -0.63 0.48 119.26 121.31 1brr h ALA 139 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1brr h ALA 139 Cb 0.41 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1brr h ALA 139 CO -0.03 -0.75 0.23 0.82 0.00 0.00 0.00 179.25 179.53 1brr h ILE 140 N -0.31 0.95 -0.55 0.00 2.04 -1.08 -0.97 117.51 117.59 1brr h ILE 140 Ca 0.14 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1brr h ILE 140 Cb 0.53 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1brr h ILE 140 CO -0.45 0.08 0.20 -1.28 0.00 0.00 0.00 178.15 176.70 1brr h SER 141 N 0.46 0.74 -0.45 1.72 0.87 0.09 -1.68 113.55 115.29 1brr h SER 141 Ca 0.21 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 1brr h SER 141 Cb 0.12 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1brr h SER 141 CO -0.15 0.68 -0.21 0.74 -0.53 0.00 0.00 176.83 177.37 1brr h THR 142 N 0.79 1.27 -0.58 2.23 2.02 -0.43 -1.10 112.91 117.12 1brr h THR 142 Ca 0.19 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1brr h THR 142 Cb 0.19 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1brr h THR 142 CO -0.01 0.46 0.29 0.00 0.37 0.00 0.00 175.52 176.63 1brr h ALA 143 N 0.84 1.43 -0.13 6.16 0.00 -0.67 0.23 119.26 127.13 1brr h ALA 143 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1brr h ALA 143 Cb 0.78 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1brr h ALA 143 CO 0.06 0.46 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1brr h ALA 144 N 1.51 0.18 0.65 0.00 0.00 -1.02 -2.27 119.26 118.31 1brr h ALA 144 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1brr h ALA 144 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1brr h ALA 144 CO -0.03 -0.09 -0.44 1.98 0.00 0.00 0.00 179.25 180.67 1brr h MET 145 N -0.06 -1.00 -0.97 0.00 -1.53 -0.46 -1.97 114.93 108.94 1brr h MET 145 Ca 0.03 0.07 0.30 0.00 -3.44 0.00 0.00 59.70 56.66 1brr h MET 145 Cb 0.43 0.23 -0.17 0.00 -0.55 0.00 0.00 31.60 31.54 1brr h MET 145 CO 0.01 -0.67 0.21 -0.07 0.14 0.00 0.00 176.91 176.53 1brr h LEU 146 N -1.04 -0.16 0.50 3.39 3.38 -0.56 0.55 115.31 121.37 1brr h LEU 146 Ca -0.08 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1brr h LEU 146 Cb 0.85 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1brr h LEU 146 CO 0.06 -0.33 -0.24 0.22 0.09 0.00 0.00 178.44 178.24 1brr h TYR 147 N 0.06 -0.63 -0.93 1.13 3.20 -1.01 -1.70 116.97 117.09 1brr h TYR 147 Ca 0.65 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.71 1brr h TYR 147 Cb 1.46 0.21 -0.12 0.00 1.54 0.00 0.00 36.73 39.82 1brr h TYR 147 CO -0.32 -0.37 0.48 0.82 -1.64 0.00 0.00 178.16 177.13 1brr h ILE 148 N -0.71 0.58 0.00 1.81 2.04 0.73 0.32 117.51 122.29 1brr h ILE 148 Ca -0.07 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1brr h ILE 148 Cb 0.53 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1brr h ILE 148 CO 0.11 0.10 -0.36 -0.07 0.00 0.00 0.00 178.15 177.93 1brr h LEU 149 N 0.54 0.00 0.39 1.44 3.38 -0.66 -3.07 115.31 117.33 1brr h LEU 149 Ca 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 1brr h LEU 149 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1brr h LEU 149 CO -0.46 0.36 -0.19 0.22 0.09 0.00 0.00 178.44 178.47 1brr h TYR 150 N 0.00 -0.48 0.00 1.13 5.03 0.56 0.21 116.97 123.42 1brr h TYR 150 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1brr h TYR 150 Cb 0.98 0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.42 1brr h TYR 150 CO 0.00 -0.17 0.00 1.33 -1.32 0.00 0.00 178.16 178.00 1brr n VAL 151 N -5.21 0.94 -0.09 1.81 0.24 -0.93 -0.62 118.33 114.47 1brr n VAL 151 Ca -0.10 0.57 -0.20 0.00 -2.04 0.00 0.00 64.34 62.58 1brr n VAL 151 Cb 0.28 -1.56 -0.12 0.00 -1.47 0.00 0.00 33.84 30.97 1brr n VAL 151 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1brr h LEU 152 N 0.00 0.00 0.00 1.34 3.38 -1.35 -0.19 115.31 118.49 1brr h LEU 152 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1brr h LEU 152 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1brr h LEU 152 CO 0.00 1.35 0.00 0.33 0.09 0.00 0.00 178.44 180.21 1brr n PHE 153 N -4.48 0.00 0.74 1.13 7.35 0.68 -2.47 117.46 120.41 1brr n PHE 153 Ca -0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.43 1brr n PHE 153 Cb 0.62 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.34 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 -0.84 0.00 0.07 -5.13 3.72 0.21 -3.15 117.46 112.34 1brr n PHE 154 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1brr n PHE 154 Cb 0.00 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.16 -0.15 0.18 1.37 0.00 -1.18 -4.86 105.19 100.71 1brr n GLY 155 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.68 1.61 -1.00 -0.69 -3.27 116.94 114.26 1brr h PHE 156 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1brr h PHE 156 Cb 0.08 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.64 1brr h PHE 156 CO 0.00 0.00 -0.33 1.15 -1.61 0.00 0.00 178.31 177.52 1brr h THR 157 N 0.00 0.13 -0.64 -1.55 2.02 -1.51 -1.85 112.91 109.51 1brr h THR 157 Ca 0.00 -0.29 0.14 0.00 0.77 0.00 0.00 66.41 67.03 1brr h THR 157 Cb 0.66 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1brr h THR 157 CO 0.00 0.02 0.44 0.77 0.37 0.00 0.00 175.52 177.12 1brr h SER 158 N -1.16 0.22 1.66 4.18 4.64 -1.82 0.43 113.55 121.70 1brr h SER 158 Ca -0.09 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1brr h SER 158 Cb 0.73 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1brr h SER 158 CO 0.15 0.12 -0.34 0.50 -0.87 0.00 0.00 176.83 176.39 1brr h LYS 159 N 0.24 0.00 0.04 4.77 3.64 -1.60 -3.27 116.57 120.38 1brr h LYS 159 Ca 0.31 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1brr h LYS 159 Cb 0.88 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1brr h LYS 159 CO -0.06 0.20 -0.48 0.00 -2.27 0.00 0.00 179.45 176.83 1brr h ALA 160 N 1.79 0.00 0.00 5.00 0.00 0.53 -3.31 119.26 123.26 1brr h ALA 160 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1brr h ALA 160 Cb 1.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1brr h ALA 160 CO 0.03 0.23 0.03 0.39 0.00 0.00 0.00 179.25 179.93 1brr n GLU 161 N -4.33 0.90 0.00 0.00 1.02 0.93 -1.04 120.64 118.13 1brr n GLU 161 Ca -0.11 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 1brr n GLU 161 Cb 0.64 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 2.50 0.00 0.00 1.62 7.64 -1.25 -4.97 113.62 119.15 1brr n SER 162 Ca 0.17 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1brr n SER 162 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -4.39 1.43 2.81 -0.20 -5.08 117.12 111.69 1brr n MET 163 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1brr n MET 163 Cb 0.09 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.49 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 1.04 1.66 0.60 0.03 0.52 -1.26 -4.98 118.95 116.55 1brr s ARG 164 Ca 0.00 -1.46 0.30 0.00 -0.52 0.00 0.00 55.73 54.06 1brr s ARG 164 Cb 0.00 -1.93 1.81 0.00 0.52 0.00 0.00 34.95 35.35 1brr s ARG 164 CO 0.00 0.41 2.21 -1.00 0.02 0.00 0.00 175.30 176.94 1brr h PRO 165 N 3.14 0.00 0.26 3.54 0.13 -1.98 0.21 132.00 137.29 1brr h PRO 165 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.49 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.07 1brr h GLU 166 N 0.00 -0.33 -0.03 0.86 5.08 -1.98 -2.15 114.58 116.03 1brr h GLU 166 Ca 0.03 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1brr h GLU 166 Cb 0.18 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1brr h GLU 166 CO -0.00 0.01 -0.34 0.28 -1.00 0.00 0.00 179.01 177.96 1brr h VAL 167 N -0.92 0.26 -0.55 3.13 2.07 -1.65 0.55 116.25 119.14 1brr h VAL 167 Ca -0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.61 1brr h VAL 167 Cb 0.50 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1brr h VAL 167 CO 0.06 0.00 0.38 0.00 0.02 0.00 0.00 177.57 178.03 1brr h ALA 168 N 0.23 2.27 0.15 1.67 0.00 -0.70 -0.03 119.26 122.85 1brr h ALA 168 Ca 0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1brr h ALA 168 Cb 0.58 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1brr h ALA 168 CO -0.30 -0.41 -1.29 0.66 0.00 0.00 0.00 179.25 177.91 1brr h SER 169 N 0.19 0.51 0.15 0.00 4.64 -0.53 -3.04 113.55 115.46 1brr h SER 169 Ca 0.26 -0.90 -0.01 0.00 -0.47 0.00 0.00 61.79 60.67 1brr h SER 169 Cb 0.79 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1brr h SER 169 CO -0.04 1.59 -0.07 0.74 -0.87 0.00 0.00 176.83 178.17 1brr h THR 170 N -0.21 0.89 -0.96 2.95 2.02 0.46 -2.64 112.91 115.43 1brr h THR 170 Ca -0.26 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1brr h THR 170 Cb 1.83 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 69.17 1brr h THR 170 CO 0.13 0.04 0.63 0.15 0.37 0.00 0.00 175.52 176.84 1brr h PHE 171 N -0.28 1.17 -0.54 3.16 3.57 -1.16 -2.24 116.94 120.62 1brr h PHE 171 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1brr h PHE 171 Cb 0.22 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1brr h PHE 171 CO -0.04 0.66 0.23 0.87 -2.23 0.00 0.00 178.31 177.79 1brr h LYS 172 N 1.19 0.80 0.11 1.11 1.57 -1.40 0.16 116.57 120.11 1brr h LYS 172 Ca 0.39 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1brr h LYS 172 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1brr h LYS 172 CO -0.13 0.69 -0.09 0.28 -0.57 0.00 0.00 179.45 179.63 1brr h VAL 173 N 0.73 0.81 0.06 0.50 2.07 -1.07 0.92 116.25 120.27 1brr h VAL 173 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1brr h VAL 173 Cb 0.18 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1brr h VAL 173 CO -0.02 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.35 1brr h LEU 174 N -0.20 -0.41 -0.95 2.57 3.38 -1.31 0.38 115.31 118.77 1brr h LEU 174 Ca -0.00 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.25 1brr h LEU 174 Cb 0.19 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 1brr h LEU 174 CO -0.01 -0.21 0.51 -0.09 0.09 0.00 0.00 178.44 178.72 1brr h ARG 175 N -0.28 0.51 -0.33 1.13 2.43 -0.29 0.44 114.38 117.99 1brr h ARG 175 Ca 0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1brr h ARG 175 Cb 0.31 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1brr h ARG 175 CO -0.10 0.34 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.68 1brr h ASN 176 N 0.53 0.66 -0.08 -3.80 2.35 0.28 -1.80 115.58 113.72 1brr h ASN 176 Ca 0.59 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1brr h ASN 176 Cb 1.09 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1brr h ASN 176 CO -0.48 0.89 0.02 0.58 -1.65 0.00 0.00 177.43 176.79 1brr h VAL 177 N 0.43 1.18 0.35 2.81 2.07 0.18 -2.91 116.25 120.36 1brr h VAL 177 Ca 0.08 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1brr h VAL 177 Cb 0.61 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1brr h VAL 177 CO 0.04 0.16 -0.17 0.71 0.02 0.00 0.00 177.57 178.33 1brr h THR 178 N -0.07 0.66 -0.88 2.57 1.35 -0.52 -0.42 112.91 115.61 1brr h THR 178 Ca 0.03 -0.37 0.24 0.00 -0.55 0.00 0.00 66.41 65.76 1brr h THR 178 Cb 0.23 0.85 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 1brr h THR 178 CO -0.00 0.07 0.62 0.58 -0.25 0.00 0.00 175.52 176.54 1brr h VAL 179 N -0.68 0.58 0.07 6.82 2.07 -1.41 0.29 116.25 124.00 1brr h VAL 179 Ca -0.05 -0.03 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1brr h VAL 179 Cb 0.48 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1brr h VAL 179 CO 0.08 0.02 -0.86 0.58 0.02 0.00 0.00 177.57 177.40 1brr h VAL 180 N 0.09 1.33 0.04 2.57 2.07 -1.29 -3.15 116.25 117.91 1brr h VAL 180 Ca 0.43 -2.38 -0.27 0.00 0.82 0.00 0.00 66.70 65.31 1brr h VAL 180 Cb 1.56 2.92 0.02 0.00 -1.52 0.00 0.00 31.29 34.27 1brr h VAL 180 CO -0.05 0.61 -1.09 -0.07 0.02 0.00 0.00 177.57 176.99 1brr h LEU 181 N -0.64 0.83 -0.59 2.57 3.38 -0.52 -3.31 115.31 117.03 1brr h LEU 181 Ca -0.19 -0.70 -0.08 0.00 0.09 0.00 0.00 57.88 57.00 1brr h LEU 181 Cb 1.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1brr h LEU 181 CO 0.01 1.50 0.07 -0.50 0.09 0.00 0.00 178.44 179.61 1brr h TRP 182 N 0.33 1.07 0.00 1.13 4.06 -0.62 -2.86 115.95 119.06 1brr h TRP 182 Ca -0.14 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.65 1brr h TRP 182 Cb 1.75 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.62 1brr h TRP 182 CO 0.10 0.93 0.00 -1.13 -3.56 0.00 0.00 178.44 174.78 1brr n SER 183 N -4.28 0.00 0.07 -3.49 3.41 -1.19 -2.26 113.62 105.87 1brr n SER 183 Ca 0.03 0.31 -0.16 0.00 -0.26 0.00 0.00 58.87 58.79 1brr n SER 183 Cb 0.30 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 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 2.34 0.27 -0.83 7.33 0.00 -1.61 -3.38 119.26 123.38 1brr h ALA 184 Ca 0.00 -1.07 0.20 0.00 0.00 0.00 0.00 54.91 54.04 1brr h ALA 184 Cb 0.10 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 17.96 1brr h ALA 184 CO 0.00 1.13 0.05 1.88 0.00 0.00 0.00 179.25 182.32 1brr h TYR 185 N 0.06 0.03 0.00 0.00 -1.99 -1.57 0.45 116.97 113.95 1brr h TYR 185 Ca -0.21 0.06 -0.04 0.00 2.00 0.00 0.00 58.73 60.54 1brr h TYR 185 Cb 1.99 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 40.84 1brr h TYR 185 CO 0.06 -0.27 -0.19 -1.35 -0.00 0.00 0.00 178.16 176.41 1brr h PRO 186 N 0.11 0.00 0.13 4.88 0.11 -1.76 -1.73 132.00 133.73 1brr h PRO 186 Ca 0.47 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.35 1brr h PRO 186 Cb 0.89 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.02 1brr h PRO 186 CO -0.71 0.19 -1.00 0.28 -0.21 0.00 0.00 178.00 176.54 1brr h VAL 187 N 0.00 1.40 -0.04 3.15 2.07 -0.41 -2.26 116.25 120.16 1brr h VAL 187 Ca -0.00 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 1brr h VAL 187 Cb 0.52 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1brr h VAL 187 CO 0.02 0.72 0.02 0.58 0.02 0.00 0.00 177.57 178.93 1brr h VAL 188 N -0.07 1.12 -0.95 2.57 2.07 -0.76 -2.47 116.25 117.76 1brr h VAL 188 Ca -0.16 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1brr h VAL 188 Cb 1.75 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1brr h VAL 188 CO 0.19 0.10 0.58 -0.25 0.02 0.00 0.00 177.57 178.21 1brr h TRP 189 N -0.09 1.24 -0.24 1.57 7.01 -1.43 0.56 115.95 124.57 1brr h TRP 189 Ca 0.01 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 1brr h TRP 189 Cb 0.15 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 1brr h TRP 189 CO -0.03 0.82 -0.32 1.25 -2.79 0.00 0.00 178.44 177.37 1brr h LEU 190 N 1.30 0.51 0.00 0.65 5.85 -1.27 -3.05 115.31 119.31 1brr h LEU 190 Ca 0.34 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1brr h LEU 190 Cb -0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1brr h LEU 190 CO -0.07 0.81 -1.11 2.30 -0.34 0.00 0.00 178.44 180.03 1brr n ILE 191 N -4.08 0.18 -1.50 4.05 -5.35 -0.94 -1.92 119.36 109.80 1brr n ILE 191 Ca -0.01 -0.28 -0.22 0.00 -0.27 0.00 0.00 62.75 61.97 1brr n ILE 191 Cb 0.45 0.18 0.16 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.35 -1.73 0.34 3.28 0.00 0.19 -1.87 105.19 106.75 1brr n GLY 192 Ca 0.01 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.58 1brr n GLY 192 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1brr h SER 193 N -1.56 0.00 -0.44 1.61 0.87 -1.75 -0.81 113.55 111.47 1brr h SER 193 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1brr h SER 193 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1brr h SER 193 CO 0.22 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.90 1brr n GLU 194 N -3.18 2.13 0.00 2.24 1.02 -1.26 -4.87 120.64 116.72 1brr n GLU 194 Ca -0.02 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 1brr n GLU 194 Cb 0.20 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.29 3.62 3.91 0.62 0.00 -0.31 -4.88 105.19 109.44 1brr n GLY 195 Ca 0.17 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 2.90 -1.89 4.61 0.00 -0.81 -4.98 121.76 119.59 1brr s ALA 196 Ca 0.00 -0.68 0.11 0.00 0.00 0.00 0.00 51.96 51.39 1brr s ALA 196 Cb 0.00 -2.83 0.32 0.00 0.00 0.00 0.00 23.12 20.61 1brr s ALA 196 CO 0.00 -1.39 1.25 0.41 0.00 0.00 0.00 175.76 176.03 1brr n GLY 197 N -3.08 0.80 0.35 0.00 0.00 -1.26 -4.20 105.19 97.80 1brr n GLY 197 Ca 0.07 -0.39 0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 2.08 0.15 -3.77 -0.61 2.04 -1.86 -3.40 117.51 112.14 1brr h ILE 198 Ca 0.00 -0.05 -0.31 0.00 1.00 0.00 0.00 64.86 65.50 1brr h ILE 198 Cb 0.54 -0.02 -0.30 0.00 -0.74 0.00 0.00 36.82 36.30 1brr h ILE 198 CO 0.02 0.03 -0.75 -0.69 0.00 0.00 0.00 178.15 176.76 1brr s VAL 199 N -5.53 0.28 0.89 1.67 1.01 -0.78 -5.06 120.40 112.88 1brr s VAL 199 Ca -0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1brr s VAL 199 Cb 0.32 -0.27 0.13 0.00 0.00 0.00 0.00 36.38 36.55 1brr s VAL 199 CO 0.79 0.10 1.10 -2.16 0.00 0.00 0.00 175.10 174.93 1brr s PRO 200 N 0.17 1.27 0.54 2.72 0.04 -1.26 -3.56 135.00 134.93 1brr s PRO 200 Ca -0.01 1.06 0.21 0.00 0.04 0.00 0.00 61.00 62.30 1brr s PRO 200 Cb -0.04 -1.79 1.48 0.00 0.04 0.00 0.00 34.50 34.18 1brr s PRO 200 CO -0.00 -2.30 2.19 1.25 0.04 0.00 0.00 177.00 178.17 1brr h LEU 201 N -1.60 0.00 0.23 -3.56 5.85 -1.95 -2.39 115.31 111.90 1brr h LEU 201 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1brr h LEU 201 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1brr h LEU 201 CO 0.51 0.01 -0.25 -1.13 -0.34 0.00 0.00 178.44 177.23 1brr h ASN 202 N 0.00 -0.69 -0.22 1.25 -0.00 -2.00 0.62 115.58 114.55 1brr h ASN 202 Ca -0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 56.30 56.33 1brr h ASN 202 Cb 0.01 0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.54 1brr h ASN 202 CO 0.00 -0.32 0.07 -0.29 -0.00 0.00 0.00 177.43 176.89 1brr h ILE 203 N -0.49 1.14 0.00 2.57 2.10 -1.90 -0.86 117.51 120.08 1brr h ILE 203 Ca -0.03 -0.50 -0.04 0.00 1.08 0.00 0.00 64.86 65.37 1brr h ILE 203 Cb 0.42 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 1brr h ILE 203 CO -0.04 0.18 -0.18 -0.08 -1.08 0.00 0.00 178.15 176.95 1brr h GLU 204 N 0.42 0.00 0.06 2.19 4.22 -1.07 0.26 114.58 120.67 1brr h GLU 204 Ca 0.10 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.30 1brr h GLU 204 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1brr h GLU 204 CO -0.00 0.18 -1.09 1.15 -2.18 0.00 0.00 179.01 177.07 1brr h THR 205 N 0.00 1.59 0.32 0.32 2.02 0.53 -3.05 112.91 114.64 1brr h THR 205 Ca -0.00 -3.14 -0.02 0.00 0.77 0.00 0.00 66.41 64.02 1brr h THR 205 Cb 0.46 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1brr h THR 205 CO 0.02 0.91 -0.16 0.25 0.37 0.00 0.00 175.52 176.92 1brr h LEU 206 N 0.05 -0.37 -0.35 2.58 6.46 -0.52 -2.12 115.31 121.04 1brr h LEU 206 Ca -0.07 -0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.60 1brr h LEU 206 Cb 1.82 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 41.76 1brr h LEU 206 CO 0.16 -0.00 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.59 1brr h LEU 207 N -0.78 -1.05 -2.07 2.25 3.38 -0.66 0.77 115.31 117.15 1brr h LEU 207 Ca -0.04 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1brr h LEU 207 Cb 0.51 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1brr h LEU 207 CO 0.07 -0.32 -0.03 -0.26 0.09 0.00 0.00 178.44 177.99 1brr h PHE 208 N -0.27 0.00 -0.10 1.13 0.04 -1.56 -1.47 116.94 114.71 1brr h PHE 208 Ca 0.16 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.74 1brr h PHE 208 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1brr h PHE 208 CO -0.51 0.03 -0.72 1.98 -0.60 0.00 0.00 178.31 178.49 1brr h MET 209 N 0.00 0.49 -0.09 1.51 4.05 -0.19 0.19 114.93 120.89 1brr h MET 209 Ca -0.00 -0.39 -0.03 0.00 -0.28 0.00 0.00 59.70 59.00 1brr h MET 209 Cb 0.06 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1brr h MET 209 CO 0.00 1.02 -0.05 0.28 0.23 0.00 0.00 176.91 178.40 1brr h VAL 210 N 0.34 1.32 -0.44 -5.77 2.07 -0.50 -2.44 116.25 110.83 1brr h VAL 210 Ca -0.03 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 1brr h VAL 210 Cb 1.30 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1brr h VAL 210 CO 0.13 0.30 -0.15 -0.07 0.02 0.00 0.00 177.57 177.80 1brr h LEU 211 N -0.17 0.82 -0.13 2.57 4.07 -1.28 -2.61 115.31 118.58 1brr h LEU 211 Ca 0.02 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 1brr h LEU 211 Cb 0.50 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1brr h LEU 211 CO 0.01 0.97 -0.02 0.44 -1.08 0.00 0.00 178.44 178.77 1brr h ASP 212 N 0.73 0.24 -0.50 -0.43 3.32 -0.63 -0.52 116.42 118.64 1brr h ASP 212 Ca 0.11 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1brr h ASP 212 Cb 0.66 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1brr h ASP 212 CO 0.05 0.53 0.31 0.58 -1.72 0.00 0.00 179.24 178.99 1brr h VAL 213 N -0.06 1.09 0.03 -1.35 2.07 -1.43 -1.89 116.25 114.71 1brr h VAL 213 Ca 0.03 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1brr h VAL 213 Cb 0.42 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1brr h VAL 213 CO 0.01 0.12 -0.01 0.77 0.02 0.00 0.00 177.57 178.47 1brr h SER 214 N 0.63 -0.03 0.02 0.57 4.64 -1.50 -0.18 113.55 117.70 1brr h SER 214 Ca 0.19 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1brr h SER 214 Cb -0.02 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1brr h SER 214 CO -0.07 0.60 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 1brr n ALA 215 N -2.46 1.04 0.01 5.18 0.00 -0.20 -0.49 120.51 123.58 1brr n ALA 215 Ca -0.09 0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1brr n ALA 215 Cb 0.31 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.75 0.02 -0.12 0.00 5.02 -0.72 -4.43 118.16 116.18 1brr n LYS 216 Ca -0.00 0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1brr n LYS 216 Cb 0.02 -0.21 0.18 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.04 1.23 0.01 -0.18 2.07 -1.12 0.37 116.25 118.59 1brr h VAL 217 Ca 0.00 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1brr h VAL 217 Cb 0.04 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1brr h VAL 217 CO 0.00 0.32 -0.00 1.23 0.02 0.00 0.00 177.57 179.13 1brr h GLY 218 N 0.97 -0.01 0.80 2.17 0.00 -0.40 -2.32 103.07 104.27 1brr h GLY 218 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1brr h GLY 218 CO 0.00 -0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.79 1brr h PHE 219 N -0.47 -0.00 -0.76 5.60 3.04 -1.23 -2.29 116.94 120.83 1brr h PHE 219 Ca -0.00 0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.13 1brr h PHE 219 Cb 0.46 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.94 1brr h PHE 219 CO 0.08 -0.01 0.52 0.78 -2.02 0.00 0.00 178.31 177.65 1brr h GLY 220 N 0.05 0.58 0.40 2.40 0.00 -0.22 -2.09 103.07 104.19 1brr h GLY 220 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1brr h GLY 220 CO -0.11 0.03 -0.18 1.41 0.00 0.00 0.00 176.54 177.70 1brr h LEU 221 N 0.32 -0.42 -1.33 3.11 3.38 -0.86 -1.83 115.31 117.68 1brr h LEU 221 Ca 0.38 -0.04 0.38 0.00 0.09 0.00 0.00 57.88 58.69 1brr h LEU 221 Cb 1.00 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 1brr h LEU 221 CO -0.10 0.03 0.76 0.40 0.09 0.00 0.00 178.44 179.62 1brr h ILE 222 N -1.10 0.23 0.09 1.22 2.04 -1.09 -2.34 117.51 116.55 1brr h ILE 222 Ca -0.05 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1brr h ILE 222 Cb 0.43 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1brr h ILE 222 CO 0.08 0.03 -0.04 0.25 0.00 0.00 0.00 178.15 178.47 1brr h LEU 223 N 0.18 -0.10 -0.12 1.44 5.85 -1.41 -3.33 115.31 117.81 1brr h LEU 223 Ca 0.76 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.43 1brr h LEU 223 Cb 2.22 0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.27 1brr h LEU 223 CO -0.43 0.41 0.00 0.18 -0.34 0.00 0.00 178.44 178.26 1brr n LEU 224 N -4.85 0.03 0.00 2.25 4.77 -0.69 -1.59 117.00 116.92 1brr n LEU 224 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1brr n LEU 224 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1brr n LEU 224 CO 0.06 0.01 0.38 -1.14 -1.33 0.00 0.00 177.39 175.37 1brr n ARG 225 N -0.40 1.66 0.00 3.23 0.63 -1.06 -4.77 116.66 115.95 1brr n ARG 225 Ca 0.00 -1.06 -0.00 0.00 -0.92 0.00 0.00 57.85 55.87 1brr n ARG 225 Cb 0.01 -0.82 -0.11 0.00 0.45 0.00 0.00 32.46 31.99 1brr n ARG 225 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1brr n SER 226 N -0.29 0.59 0.00 6.15 7.64 -0.62 -4.94 113.62 122.15 1brr n SER 226 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1brr n SER 226 Cb 0.32 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1brr n SER 226 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1brr n ARG 227 N -2.78 0.00 -0.83 1.43 0.00 -1.26 -4.71 116.66 108.51 1brr n ARG 227 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.63 1brr n ARG 227 Cb 0.86 -3.93 -0.08 0.00 -0.00 0.00 0.00 32.46 29.31 1brr n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1brr n ALA 228 N 0.93 5.33 -1.76 2.89 0.00 -1.26 -1.97 120.51 124.67 1brr n ALA 228 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 53.44 52.28 1brr n ALA 228 Cb 0.00 -1.70 0.02 0.00 0.00 0.00 0.00 19.45 17.77 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 1.80 0.33 -3.10 0.00 5.41 -1.26 -4.74 119.36 117.81 1brr n ILE 229 Ca 0.25 -0.40 -0.18 0.00 1.00 0.00 0.00 62.75 63.43 1brr n ILE 229 Cb 0.70 0.40 -0.01 0.00 -0.71 0.00 0.00 39.64 40.02 1brr n ILE 229 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1brr n PHE 230 N -0.25 -1.69 -4.04 1.39 3.01 -0.83 -2.82 117.46 112.22 1brr n PHE 230 Ca 0.03 0.29 -0.19 0.00 1.01 0.00 0.00 57.45 58.59 1brr n PHE 230 Cb 0.67 -2.36 -0.16 0.00 -0.01 0.00 0.00 39.48 37.62 1brr n PHE 230 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1brr s GLY 231 N -2.47 0.36 0.00 1.37 0.00 -1.25 -4.64 107.32 100.70 1brr s GLY 231 Ca 0.27 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1brr s GLY 231 CO 0.33 0.55 0.00 1.18 0.00 0.00 0.00 173.10 175.17